USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 799 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 17 THR OG1 : rot 130:sc= 1.28 USER MOD Set 1.2: A 25 HIS : no HD1:sc= 1.09 K(o=2.4,f=-4.9!) USER MOD Set 2.1: A 9 LYS NZ :NH3+ 169:sc= 1.62 (180deg=0.551) USER MOD Set 2.2: A 114 SER OG : rot -150:sc= 0.746 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 5:sc= 1.16 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 14:sc= 0.297 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -2.3 K(o=-2.3,f=-0.12) USER MOD Single : A 13 LYS NZ :NH3+ 154:sc= 0.544 (180deg=0.257) USER MOD Single : A 20 ASN : amide:sc= -1.46 K(o=-1.5,f=-0.041) USER MOD Single : A 21 GLN : amide:sc= -0.0352 X(o=-0.035,f=-0.026) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 31:sc= 0.2 USER MOD Single : A 55 GLN : amide:sc= 0.45 K(o=0.45,f=-0.21) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HD1:sc= 1.26 K(o=1.9,f=-6.1!) USER MOD Single : A 60 THR OG1 : rot -142:sc= 1.07 USER MOD Single : A 61 ASN : amide:sc= -0.0246 X(o=-0.025,f=-0.44) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.0287 X(o=-0.029,f=-0.086) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot -42:sc= 0.134 USER MOD Single : A 73 THR OG1 : rot -46:sc= 1.2 USER MOD Single : A 74 ASN : amide:sc= -0.0267 X(o=-0.027,f=-0.027) USER MOD Single : A 77 HIS : no HD1:sc= -0.0307 X(o=-0.031,f=-0.031) USER MOD Single : A 79 LYS NZ :NH3+ -142:sc= 0.361 (180deg=-0.273) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= 0.0982 K(o=0.098,f=-1.9!) USER MOD Single : A 83 THR OG1 : rot -70:sc= 1.29 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc=-0.00879 USER MOD Single : A 93 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0153) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -2.84! X(o=-2.8!,f=-2.9) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.797 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc=-0.00199 X(o=-0.002,f=-0.24) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N PRO A 2 16.658 -6.672 15.467 1.00 0.00 N ATOM 28 CA PRO A 2 16.261 -8.026 15.059 1.00 0.00 C ATOM 29 C PRO A 2 16.960 -8.472 13.765 1.00 0.00 C ATOM 30 O PRO A 2 17.438 -9.604 13.666 1.00 0.00 O ATOM 31 CB PRO A 2 14.740 -7.971 14.887 1.00 0.00 C ATOM 32 CG PRO A 2 14.441 -6.499 14.599 1.00 0.00 C ATOM 33 CD PRO A 2 15.517 -5.756 15.392 1.00 0.00 C ATOM 0 HA PRO A 2 16.557 -8.763 15.806 1.00 0.00 H new ATOM 0 HB2 PRO A 2 14.410 -8.611 14.069 1.00 0.00 H new ATOM 0 HB3 PRO A 2 14.226 -8.312 15.786 1.00 0.00 H new ATOM 0 HG2 PRO A 2 14.503 -6.278 13.533 1.00 0.00 H new ATOM 0 HG3 PRO A 2 13.438 -6.222 14.925 1.00 0.00 H new ATOM 0 HD2 PRO A 2 15.794 -4.825 14.898 1.00 0.00 H new ATOM 0 HD3 PRO A 2 15.159 -5.494 16.388 1.00 0.00 H new ATOM 41 N CYS A 3 17.025 -7.568 12.782 1.00 0.00 N ATOM 42 CA CYS A 3 17.625 -7.762 11.457 1.00 0.00 C ATOM 43 C CYS A 3 18.356 -6.479 11.010 1.00 0.00 C ATOM 44 O CYS A 3 18.219 -5.426 11.640 1.00 0.00 O ATOM 45 CB CYS A 3 16.551 -8.214 10.438 1.00 0.00 C ATOM 46 SG CYS A 3 15.040 -8.944 11.152 1.00 0.00 S ATOM 0 H CYS A 3 16.640 -6.630 12.895 1.00 0.00 H new ATOM 0 HA CYS A 3 18.369 -8.557 11.510 1.00 0.00 H new ATOM 0 HB2 CYS A 3 16.266 -7.353 9.833 1.00 0.00 H new ATOM 0 HB3 CYS A 3 17.001 -8.943 9.763 1.00 0.00 H new ATOM 51 N LYS A 4 19.147 -6.556 9.935 1.00 0.00 N ATOM 52 CA LYS A 4 19.961 -5.444 9.412 1.00 0.00 C ATOM 53 C LYS A 4 19.167 -4.602 8.407 1.00 0.00 C ATOM 54 O LYS A 4 18.654 -5.154 7.434 1.00 0.00 O ATOM 55 CB LYS A 4 21.205 -6.015 8.714 1.00 0.00 C ATOM 56 CG LYS A 4 22.134 -6.884 9.585 1.00 0.00 C ATOM 57 CD LYS A 4 22.986 -6.108 10.601 1.00 0.00 C ATOM 58 CE LYS A 4 24.088 -5.299 9.900 1.00 0.00 C ATOM 59 NZ LYS A 4 25.057 -4.726 10.872 1.00 0.00 N ATOM 0 H LYS A 4 19.244 -7.412 9.388 1.00 0.00 H new ATOM 0 HA LYS A 4 20.249 -4.806 10.247 1.00 0.00 H new ATOM 0 HB2 LYS A 4 20.877 -6.611 7.862 1.00 0.00 H new ATOM 0 HB3 LYS A 4 21.787 -5.184 8.316 1.00 0.00 H new ATOM 0 HG2 LYS A 4 21.527 -7.611 10.123 1.00 0.00 H new ATOM 0 HG3 LYS A 4 22.799 -7.447 8.930 1.00 0.00 H new ATOM 0 HD2 LYS A 4 22.349 -5.437 11.176 1.00 0.00 H new ATOM 0 HD3 LYS A 4 23.437 -6.804 11.309 1.00 0.00 H new ATOM 0 HE2 LYS A 4 24.617 -5.940 9.195 1.00 0.00 H new ATOM 0 HE3 LYS A 4 23.635 -4.494 9.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 25.785 -4.187 10.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 24.557 -4.094 11.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 25.508 -5.495 11.407 1.00 0.00 H new ATOM 73 N TYR A 5 19.115 -3.281 8.591 1.00 0.00 N ATOM 74 CA TYR A 5 18.404 -2.344 7.704 1.00 0.00 C ATOM 75 C TYR A 5 19.183 -1.042 7.442 1.00 0.00 C ATOM 76 O TYR A 5 20.011 -0.614 8.252 1.00 0.00 O ATOM 77 CB TYR A 5 17.027 -2.007 8.303 1.00 0.00 C ATOM 78 CG TYR A 5 16.080 -3.183 8.469 1.00 0.00 C ATOM 79 CD1 TYR A 5 15.264 -3.588 7.396 1.00 0.00 C ATOM 80 CD2 TYR A 5 15.997 -3.859 9.702 1.00 0.00 C ATOM 81 CE1 TYR A 5 14.372 -4.664 7.546 1.00 0.00 C ATOM 82 CE2 TYR A 5 15.086 -4.922 9.866 1.00 0.00 C ATOM 83 CZ TYR A 5 14.277 -5.334 8.784 1.00 0.00 C ATOM 84 OH TYR A 5 13.410 -6.371 8.931 1.00 0.00 O ATOM 0 H TYR A 5 19.574 -2.818 9.376 1.00 0.00 H new ATOM 0 HA TYR A 5 18.294 -2.846 6.743 1.00 0.00 H new ATOM 0 HB2 TYR A 5 17.178 -1.544 9.278 1.00 0.00 H new ATOM 0 HB3 TYR A 5 16.546 -1.263 7.668 1.00 0.00 H new ATOM 0 HD1 TYR A 5 15.324 -3.069 6.451 1.00 0.00 H new ATOM 0 HD2 TYR A 5 16.633 -3.562 10.523 1.00 0.00 H new ATOM 0 HE1 TYR A 5 13.759 -4.978 6.714 1.00 0.00 H new ATOM 0 HE2 TYR A 5 15.006 -5.422 10.820 1.00 0.00 H new ATOM 0 HH TYR A 5 12.989 -6.570 8.069 1.00 0.00 H new ATOM 94 N LYS A 6 18.883 -0.403 6.306 1.00 0.00 N ATOM 95 CA LYS A 6 19.457 0.865 5.816 1.00 0.00 C ATOM 96 C LYS A 6 18.602 2.073 6.228 1.00 0.00 C ATOM 97 O LYS A 6 17.388 1.954 6.411 1.00 0.00 O ATOM 98 CB LYS A 6 19.554 0.799 4.279 1.00 0.00 C ATOM 99 CG LYS A 6 20.432 -0.361 3.760 1.00 0.00 C ATOM 100 CD LYS A 6 19.936 -0.914 2.414 1.00 0.00 C ATOM 101 CE LYS A 6 20.131 0.046 1.230 1.00 0.00 C ATOM 102 NZ LYS A 6 21.544 0.077 0.764 1.00 0.00 N ATOM 0 H LYS A 6 18.189 -0.778 5.659 1.00 0.00 H new ATOM 0 HA LYS A 6 20.444 0.994 6.260 1.00 0.00 H new ATOM 0 HB2 LYS A 6 18.551 0.697 3.865 1.00 0.00 H new ATOM 0 HB3 LYS A 6 19.957 1.742 3.909 1.00 0.00 H new ATOM 0 HG2 LYS A 6 21.460 -0.015 3.651 1.00 0.00 H new ATOM 0 HG3 LYS A 6 20.443 -1.163 4.498 1.00 0.00 H new ATOM 0 HD2 LYS A 6 20.459 -1.846 2.202 1.00 0.00 H new ATOM 0 HD3 LYS A 6 18.877 -1.156 2.501 1.00 0.00 H new ATOM 0 HE2 LYS A 6 19.484 -0.258 0.407 1.00 0.00 H new ATOM 0 HE3 LYS A 6 19.824 1.050 1.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 21.632 0.737 -0.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 22.159 0.392 1.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 21.830 -0.875 0.460 1.00 0.00 H new ATOM 116 N LEU A 7 19.226 3.250 6.304 1.00 0.00 N ATOM 117 CA LEU A 7 18.589 4.541 6.609 1.00 0.00 C ATOM 118 C LEU A 7 17.965 5.177 5.355 1.00 0.00 C ATOM 119 O LEU A 7 18.677 5.560 4.422 1.00 0.00 O ATOM 120 CB LEU A 7 19.615 5.490 7.282 1.00 0.00 C ATOM 121 CG LEU A 7 19.370 5.789 8.774 1.00 0.00 C ATOM 122 CD1 LEU A 7 18.053 6.537 9.006 1.00 0.00 C ATOM 123 CD2 LEU A 7 19.397 4.528 9.638 1.00 0.00 C ATOM 0 H LEU A 7 20.230 3.338 6.149 1.00 0.00 H new ATOM 0 HA LEU A 7 17.771 4.365 7.308 1.00 0.00 H new ATOM 0 HB2 LEU A 7 20.609 5.055 7.176 1.00 0.00 H new ATOM 0 HB3 LEU A 7 19.621 6.434 6.737 1.00 0.00 H new ATOM 0 HG LEU A 7 20.196 6.431 9.078 1.00 0.00 H new ATOM 0 HD11 LEU A 7 17.924 6.725 10.072 1.00 0.00 H new ATOM 0 HD12 LEU A 7 18.074 7.486 8.470 1.00 0.00 H new ATOM 0 HD13 LEU A 7 17.222 5.933 8.641 1.00 0.00 H new ATOM 0 HD21 LEU A 7 19.219 4.797 10.679 1.00 0.00 H new ATOM 0 HD22 LEU A 7 18.620 3.841 9.303 1.00 0.00 H new ATOM 0 HD23 LEU A 7 20.371 4.047 9.549 1.00 0.00 H new ATOM 135 N LYS A 8 16.631 5.300 5.345 1.00 0.00 N ATOM 136 CA LYS A 8 15.838 5.952 4.288 1.00 0.00 C ATOM 137 C LYS A 8 14.697 6.793 4.883 1.00 0.00 C ATOM 138 O LYS A 8 13.788 6.263 5.522 1.00 0.00 O ATOM 139 CB LYS A 8 15.338 4.863 3.321 1.00 0.00 C ATOM 140 CG LYS A 8 14.621 5.400 2.070 1.00 0.00 C ATOM 141 CD LYS A 8 15.554 6.137 1.099 1.00 0.00 C ATOM 142 CE LYS A 8 14.777 6.524 -0.165 1.00 0.00 C ATOM 143 NZ LYS A 8 15.644 7.214 -1.156 1.00 0.00 N ATOM 0 H LYS A 8 16.050 4.935 6.100 1.00 0.00 H new ATOM 0 HA LYS A 8 16.456 6.656 3.731 1.00 0.00 H new ATOM 0 HB2 LYS A 8 16.188 4.257 3.005 1.00 0.00 H new ATOM 0 HB3 LYS A 8 14.658 4.202 3.858 1.00 0.00 H new ATOM 0 HG2 LYS A 8 14.148 4.569 1.547 1.00 0.00 H new ATOM 0 HG3 LYS A 8 13.824 6.076 2.380 1.00 0.00 H new ATOM 0 HD2 LYS A 8 15.961 7.029 1.576 1.00 0.00 H new ATOM 0 HD3 LYS A 8 16.400 5.501 0.838 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.349 5.629 -0.617 1.00 0.00 H new ATOM 0 HE3 LYS A 8 13.945 7.174 0.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 15.083 7.460 -1.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 16.032 8.081 -0.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 16.424 6.584 -1.433 1.00 0.00 H new ATOM 157 N LYS A 9 14.751 8.115 4.699 1.00 0.00 N ATOM 158 CA LYS A 9 13.722 9.091 5.127 1.00 0.00 C ATOM 159 C LYS A 9 13.383 10.071 3.996 1.00 0.00 C ATOM 160 O LYS A 9 14.243 10.392 3.173 1.00 0.00 O ATOM 161 CB LYS A 9 14.196 9.842 6.393 1.00 0.00 C ATOM 162 CG LYS A 9 14.581 8.940 7.584 1.00 0.00 C ATOM 163 CD LYS A 9 13.386 8.203 8.213 1.00 0.00 C ATOM 164 CE LYS A 9 13.850 6.943 8.960 1.00 0.00 C ATOM 165 NZ LYS A 9 13.254 5.707 8.385 1.00 0.00 N ATOM 0 H LYS A 9 15.540 8.561 4.230 1.00 0.00 H new ATOM 0 HA LYS A 9 12.809 8.547 5.370 1.00 0.00 H new ATOM 0 HB2 LYS A 9 15.056 10.457 6.131 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.404 10.520 6.712 1.00 0.00 H new ATOM 0 HG2 LYS A 9 15.314 8.206 7.250 1.00 0.00 H new ATOM 0 HG3 LYS A 9 15.064 9.549 8.348 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.865 8.868 8.902 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.673 7.928 7.436 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.937 6.876 8.918 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.576 7.023 10.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.728 4.873 8.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.240 5.672 8.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.377 5.710 7.352 1.00 0.00 H new ATOM 179 N SER A 10 12.131 10.528 3.932 1.00 0.00 N ATOM 180 CA SER A 10 11.576 11.429 2.903 1.00 0.00 C ATOM 181 C SER A 10 10.339 12.187 3.418 1.00 0.00 C ATOM 182 O SER A 10 9.810 11.870 4.485 1.00 0.00 O ATOM 183 CB SER A 10 11.188 10.605 1.663 1.00 0.00 C ATOM 184 OG SER A 10 12.341 10.210 0.937 1.00 0.00 O ATOM 0 H SER A 10 11.434 10.270 4.631 1.00 0.00 H new ATOM 0 HA SER A 10 12.340 12.164 2.649 1.00 0.00 H new ATOM 0 HB2 SER A 10 10.626 9.723 1.969 1.00 0.00 H new ATOM 0 HB3 SER A 10 10.533 11.193 1.021 1.00 0.00 H new ATOM 0 HG SER A 10 13.138 10.346 1.490 1.00 0.00 H new ATOM 190 N THR A 11 9.835 13.159 2.648 1.00 0.00 N ATOM 191 CA THR A 11 8.602 13.900 2.975 1.00 0.00 C ATOM 192 C THR A 11 7.786 14.196 1.714 1.00 0.00 C ATOM 193 O THR A 11 8.178 15.044 0.911 1.00 0.00 O ATOM 194 CB THR A 11 8.872 15.210 3.739 1.00 0.00 C ATOM 195 OG1 THR A 11 9.809 15.040 4.783 1.00 0.00 O ATOM 196 CG2 THR A 11 7.572 15.682 4.384 1.00 0.00 C ATOM 0 H THR A 11 10.270 13.458 1.775 1.00 0.00 H new ATOM 0 HA THR A 11 8.028 13.250 3.635 1.00 0.00 H new ATOM 0 HB THR A 11 9.266 15.926 3.018 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.950 15.896 5.238 1.00 0.00 H new ATOM 0 HG21 THR A 11 7.751 16.609 4.928 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.824 15.854 3.610 1.00 0.00 H new ATOM 0 HG23 THR A 11 7.211 14.920 5.075 1.00 0.00 H new ATOM 204 N ASN A 12 6.682 13.470 1.501 1.00 0.00 N ATOM 205 CA ASN A 12 5.887 13.482 0.259 1.00 0.00 C ATOM 206 C ASN A 12 4.546 12.722 0.381 1.00 0.00 C ATOM 207 O ASN A 12 4.289 12.065 1.388 1.00 0.00 O ATOM 208 CB ASN A 12 6.748 12.912 -0.893 1.00 0.00 C ATOM 209 CG ASN A 12 7.487 11.621 -0.576 1.00 0.00 C ATOM 210 OD1 ASN A 12 8.678 11.492 -0.812 1.00 0.00 O ATOM 211 ND2 ASN A 12 6.839 10.619 -0.038 1.00 0.00 N ATOM 0 H ASN A 12 6.303 12.838 2.206 1.00 0.00 H new ATOM 0 HA ASN A 12 5.615 14.516 0.049 1.00 0.00 H new ATOM 0 HB2 ASN A 12 6.104 12.740 -1.755 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.478 13.666 -1.186 1.00 0.00 H new ATOM 0 HD21 ASN A 12 7.329 9.751 0.176 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.844 10.707 0.167 1.00 0.00 H new ATOM 218 N LYS A 13 3.713 12.793 -0.664 1.00 0.00 N ATOM 219 CA LYS A 13 2.499 11.980 -0.909 1.00 0.00 C ATOM 220 C LYS A 13 2.763 10.466 -1.024 1.00 0.00 C ATOM 221 O LYS A 13 3.912 10.022 -1.081 1.00 0.00 O ATOM 222 CB LYS A 13 1.758 12.514 -2.159 1.00 0.00 C ATOM 223 CG LYS A 13 2.624 12.845 -3.384 1.00 0.00 C ATOM 224 CD LYS A 13 2.702 14.357 -3.632 1.00 0.00 C ATOM 225 CE LYS A 13 3.785 14.756 -4.651 1.00 0.00 C ATOM 226 NZ LYS A 13 3.629 14.092 -5.976 1.00 0.00 N ATOM 0 H LYS A 13 3.873 13.463 -1.416 1.00 0.00 H new ATOM 0 HA LYS A 13 1.868 12.089 -0.027 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.016 11.774 -2.457 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.214 13.414 -1.874 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.628 12.448 -3.238 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.212 12.353 -4.265 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.733 14.710 -3.986 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.899 14.863 -2.687 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.761 15.837 -4.790 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.765 14.509 -4.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.063 14.683 -6.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.097 13.164 -5.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.618 13.965 -6.184 1.00 0.00 H new ATOM 240 N PHE A 14 1.691 9.679 -1.109 1.00 0.00 N ATOM 241 CA PHE A 14 1.676 8.214 -1.245 1.00 0.00 C ATOM 242 C PHE A 14 0.518 7.744 -2.145 1.00 0.00 C ATOM 243 O PHE A 14 -0.560 8.343 -2.151 1.00 0.00 O ATOM 244 CB PHE A 14 1.593 7.566 0.150 1.00 0.00 C ATOM 245 CG PHE A 14 0.550 8.167 1.084 1.00 0.00 C ATOM 246 CD1 PHE A 14 -0.814 7.836 0.953 1.00 0.00 C ATOM 247 CD2 PHE A 14 0.945 9.084 2.076 1.00 0.00 C ATOM 248 CE1 PHE A 14 -1.777 8.461 1.768 1.00 0.00 C ATOM 249 CE2 PHE A 14 -0.018 9.692 2.901 1.00 0.00 C ATOM 250 CZ PHE A 14 -1.381 9.413 2.723 1.00 0.00 C ATOM 0 H PHE A 14 0.748 10.067 -1.084 1.00 0.00 H new ATOM 0 HA PHE A 14 2.602 7.900 -1.727 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.379 6.504 0.028 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.570 7.641 0.627 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.121 7.100 0.225 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.991 9.321 2.204 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.821 8.209 1.659 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.294 10.377 3.676 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.122 9.927 3.317 1.00 0.00 H new ATOM 260 N CYS A 15 0.726 6.675 -2.922 1.00 0.00 N ATOM 261 CA CYS A 15 -0.319 6.071 -3.761 1.00 0.00 C ATOM 262 C CYS A 15 -0.814 4.731 -3.205 1.00 0.00 C ATOM 263 O CYS A 15 -0.047 3.921 -2.673 1.00 0.00 O ATOM 264 CB CYS A 15 0.124 5.919 -5.222 1.00 0.00 C ATOM 265 SG CYS A 15 -1.303 5.915 -6.349 1.00 0.00 S ATOM 0 H CYS A 15 1.627 6.202 -2.988 1.00 0.00 H new ATOM 0 HA CYS A 15 -1.157 6.767 -3.738 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.797 6.735 -5.487 1.00 0.00 H new ATOM 0 HB3 CYS A 15 0.685 4.992 -5.339 1.00 0.00 H new ATOM 270 N VAL A 16 -2.113 4.492 -3.371 1.00 0.00 N ATOM 271 CA VAL A 16 -2.886 3.371 -2.790 1.00 0.00 C ATOM 272 C VAL A 16 -4.051 2.949 -3.707 1.00 0.00 C ATOM 273 O VAL A 16 -4.251 3.554 -4.760 1.00 0.00 O ATOM 274 CB VAL A 16 -3.425 3.748 -1.391 1.00 0.00 C ATOM 275 CG1 VAL A 16 -2.336 3.866 -0.323 1.00 0.00 C ATOM 276 CG2 VAL A 16 -4.207 5.062 -1.390 1.00 0.00 C ATOM 0 H VAL A 16 -2.696 5.102 -3.944 1.00 0.00 H new ATOM 0 HA VAL A 16 -2.207 2.523 -2.694 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.084 2.916 -1.143 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.790 4.133 0.631 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.818 2.912 -0.224 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.623 4.637 -0.614 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.560 5.274 -0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.559 5.872 -1.725 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.060 4.978 -2.063 1.00 0.00 H new ATOM 286 N THR A 17 -4.854 1.951 -3.312 1.00 0.00 N ATOM 287 CA THR A 17 -6.076 1.529 -4.038 1.00 0.00 C ATOM 288 C THR A 17 -7.302 1.517 -3.110 1.00 0.00 C ATOM 289 O THR A 17 -7.293 0.804 -2.105 1.00 0.00 O ATOM 290 CB THR A 17 -5.895 0.131 -4.654 1.00 0.00 C ATOM 291 OG1 THR A 17 -4.578 -0.088 -5.127 1.00 0.00 O ATOM 292 CG2 THR A 17 -6.827 -0.130 -5.822 1.00 0.00 C ATOM 0 H THR A 17 -4.677 1.403 -2.470 1.00 0.00 H new ATOM 0 HA THR A 17 -6.242 2.255 -4.834 1.00 0.00 H new ATOM 0 HB THR A 17 -6.126 -0.548 -3.833 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.239 -0.936 -4.771 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.650 -1.132 -6.212 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.861 -0.048 -5.488 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.641 0.603 -6.607 1.00 0.00 H new ATOM 300 N CYS A 18 -8.350 2.298 -3.417 1.00 0.00 N ATOM 301 CA CYS A 18 -9.622 2.290 -2.683 1.00 0.00 C ATOM 302 C CYS A 18 -10.584 1.248 -3.252 1.00 0.00 C ATOM 303 O CYS A 18 -10.829 1.198 -4.457 1.00 0.00 O ATOM 304 CB CYS A 18 -10.300 3.671 -2.680 1.00 0.00 C ATOM 305 SG CYS A 18 -9.937 4.701 -1.239 1.00 0.00 S ATOM 0 H CYS A 18 -8.336 2.961 -4.192 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.380 2.028 -1.653 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -9.996 4.209 -3.578 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -11.379 3.529 -2.743 1.00 0.00 H new ATOM 310 N GLU A 19 -11.184 0.459 -2.368 1.00 0.00 N ATOM 311 CA GLU A 19 -12.244 -0.496 -2.675 1.00 0.00 C ATOM 312 C GLU A 19 -13.323 -0.392 -1.590 1.00 0.00 C ATOM 313 O GLU A 19 -13.038 -0.548 -0.403 1.00 0.00 O ATOM 314 CB GLU A 19 -11.666 -1.917 -2.773 1.00 0.00 C ATOM 315 CG GLU A 19 -12.665 -2.857 -3.464 1.00 0.00 C ATOM 316 CD GLU A 19 -12.275 -4.341 -3.321 1.00 0.00 C ATOM 317 OE1 GLU A 19 -12.488 -4.916 -2.227 1.00 0.00 O ATOM 318 OE2 GLU A 19 -11.807 -4.952 -4.311 1.00 0.00 O ATOM 0 H GLU A 19 -10.936 0.467 -1.379 1.00 0.00 H new ATOM 0 HA GLU A 19 -12.695 -0.267 -3.641 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.730 -1.898 -3.331 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.435 -2.292 -1.776 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -13.657 -2.703 -3.040 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.728 -2.601 -4.522 1.00 0.00 H new ATOM 325 N ASN A 20 -14.560 -0.090 -1.996 1.00 0.00 N ATOM 326 CA ASN A 20 -15.681 0.225 -1.097 1.00 0.00 C ATOM 327 C ASN A 20 -15.354 1.393 -0.128 1.00 0.00 C ATOM 328 O ASN A 20 -15.524 1.297 1.089 1.00 0.00 O ATOM 329 CB ASN A 20 -16.205 -1.057 -0.408 1.00 0.00 C ATOM 330 CG ASN A 20 -16.941 -2.000 -1.346 1.00 0.00 C ATOM 331 OD1 ASN A 20 -18.155 -2.138 -1.292 1.00 0.00 O ATOM 332 ND2 ASN A 20 -16.252 -2.677 -2.237 1.00 0.00 N ATOM 0 H ASN A 20 -14.819 -0.056 -2.982 1.00 0.00 H new ATOM 0 HA ASN A 20 -16.509 0.604 -1.696 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -15.364 -1.587 0.039 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -16.873 -0.774 0.406 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -16.730 -3.312 -2.877 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -15.239 -2.568 -2.289 1.00 0.00 H new ATOM 339 N GLN A 21 -14.924 2.526 -0.702 1.00 0.00 N ATOM 340 CA GLN A 21 -14.734 3.841 -0.058 1.00 0.00 C ATOM 341 C GLN A 21 -13.637 3.885 1.025 1.00 0.00 C ATOM 342 O GLN A 21 -13.691 4.702 1.949 1.00 0.00 O ATOM 343 CB GLN A 21 -16.073 4.403 0.464 1.00 0.00 C ATOM 344 CG GLN A 21 -17.210 4.411 -0.569 1.00 0.00 C ATOM 345 CD GLN A 21 -18.183 3.251 -0.390 1.00 0.00 C ATOM 346 OE1 GLN A 21 -18.791 3.048 0.651 1.00 0.00 O ATOM 347 NE2 GLN A 21 -18.401 2.466 -1.417 1.00 0.00 N ATOM 0 H GLN A 21 -14.683 2.554 -1.693 1.00 0.00 H new ATOM 0 HA GLN A 21 -14.361 4.492 -0.849 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -16.387 3.815 1.326 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -15.912 5.422 0.815 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -17.756 5.351 -0.493 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -16.784 4.370 -1.571 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -17.902 2.622 -2.293 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -19.070 1.700 -1.340 1.00 0.00 H new ATOM 356 N ALA A 22 -12.639 3.003 0.930 1.00 0.00 N ATOM 357 CA ALA A 22 -11.572 2.850 1.904 1.00 0.00 C ATOM 358 C ALA A 22 -10.343 2.211 1.228 1.00 0.00 C ATOM 359 O ALA A 22 -10.488 1.244 0.472 1.00 0.00 O ATOM 360 CB ALA A 22 -12.103 1.994 3.059 1.00 0.00 C ATOM 0 H ALA A 22 -12.555 2.358 0.145 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.256 3.816 2.299 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.319 1.864 3.806 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -12.960 2.490 3.515 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.408 1.019 2.679 1.00 0.00 H new ATOM 366 N PRO A 23 -9.136 2.758 1.437 1.00 0.00 N ATOM 367 CA PRO A 23 -7.902 2.241 0.859 1.00 0.00 C ATOM 368 C PRO A 23 -7.410 0.977 1.574 1.00 0.00 C ATOM 369 O PRO A 23 -6.881 1.024 2.683 1.00 0.00 O ATOM 370 CB PRO A 23 -6.933 3.415 0.897 1.00 0.00 C ATOM 371 CG PRO A 23 -7.371 4.185 2.135 1.00 0.00 C ATOM 372 CD PRO A 23 -8.883 4.014 2.124 1.00 0.00 C ATOM 0 HA PRO A 23 -8.030 1.893 -0.166 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -5.898 3.081 0.975 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.004 4.025 -0.003 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.925 3.778 3.043 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -7.083 5.235 2.081 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -9.281 3.992 3.138 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -9.367 4.845 1.610 1.00 0.00 H new ATOM 380 N VAL A 24 -7.589 -0.172 0.919 1.00 0.00 N ATOM 381 CA VAL A 24 -7.212 -1.507 1.409 1.00 0.00 C ATOM 382 C VAL A 24 -5.951 -2.046 0.724 1.00 0.00 C ATOM 383 O VAL A 24 -5.710 -3.247 0.769 1.00 0.00 O ATOM 384 CB VAL A 24 -8.385 -2.513 1.308 1.00 0.00 C ATOM 385 CG1 VAL A 24 -9.675 -1.974 1.933 1.00 0.00 C ATOM 386 CG2 VAL A 24 -8.740 -2.945 -0.119 1.00 0.00 C ATOM 0 H VAL A 24 -8.018 -0.203 -0.006 1.00 0.00 H new ATOM 0 HA VAL A 24 -6.973 -1.390 2.466 1.00 0.00 H new ATOM 0 HB VAL A 24 -8.006 -3.375 1.856 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.465 -2.718 1.835 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.506 -1.760 2.988 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -9.973 -1.059 1.421 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -9.572 -3.649 -0.090 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.025 -2.070 -0.704 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.876 -3.423 -0.580 1.00 0.00 H new ATOM 396 N HIS A 25 -5.156 -1.209 0.043 1.00 0.00 N ATOM 397 CA HIS A 25 -3.964 -1.650 -0.705 1.00 0.00 C ATOM 398 C HIS A 25 -2.935 -0.531 -0.859 1.00 0.00 C ATOM 399 O HIS A 25 -3.316 0.619 -1.067 1.00 0.00 O ATOM 400 CB HIS A 25 -4.422 -2.069 -2.104 1.00 0.00 C ATOM 401 CG HIS A 25 -3.357 -2.707 -2.958 1.00 0.00 C ATOM 402 ND1 HIS A 25 -2.989 -2.285 -4.220 1.00 0.00 N ATOM 403 CD2 HIS A 25 -2.589 -3.787 -2.622 1.00 0.00 C ATOM 404 CE1 HIS A 25 -1.991 -3.088 -4.641 1.00 0.00 C ATOM 405 NE2 HIS A 25 -1.735 -4.008 -3.687 1.00 0.00 N ATOM 0 H HIS A 25 -5.320 -0.203 -0.006 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.496 -2.468 -0.157 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -5.253 -2.767 -2.004 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -4.805 -1.190 -2.623 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -2.639 -4.356 -1.705 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -1.479 -3.008 -5.589 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -1.030 -4.743 -3.742 1.00 0.00 H new ATOM 414 N PHE A 26 -1.648 -0.873 -0.846 1.00 0.00 N ATOM 415 CA PHE A 26 -0.538 0.058 -1.074 1.00 0.00 C ATOM 416 C PHE A 26 0.025 -0.080 -2.498 1.00 0.00 C ATOM 417 O PHE A 26 0.205 -1.199 -2.983 1.00 0.00 O ATOM 418 CB PHE A 26 0.547 -0.216 -0.018 1.00 0.00 C ATOM 419 CG PHE A 26 1.749 0.706 -0.086 1.00 0.00 C ATOM 420 CD1 PHE A 26 1.577 2.101 0.007 1.00 0.00 C ATOM 421 CD2 PHE A 26 3.044 0.170 -0.229 1.00 0.00 C ATOM 422 CE1 PHE A 26 2.689 2.955 -0.067 1.00 0.00 C ATOM 423 CE2 PHE A 26 4.158 1.024 -0.294 1.00 0.00 C ATOM 424 CZ PHE A 26 3.977 2.416 -0.219 1.00 0.00 C ATOM 0 H PHE A 26 -1.338 -1.829 -0.672 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.895 1.083 -0.978 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.099 -0.133 0.972 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.889 -1.245 -0.128 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.588 2.515 0.136 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.181 -0.900 -0.289 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.554 4.025 -0.007 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.151 0.612 -0.401 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.832 3.074 -0.278 1.00 0.00 H new ATOM 434 N VAL A 27 0.320 1.048 -3.159 1.00 0.00 N ATOM 435 CA VAL A 27 0.935 1.080 -4.505 1.00 0.00 C ATOM 436 C VAL A 27 2.368 1.628 -4.484 1.00 0.00 C ATOM 437 O VAL A 27 3.266 0.983 -5.029 1.00 0.00 O ATOM 438 CB VAL A 27 0.071 1.856 -5.521 1.00 0.00 C ATOM 439 CG1 VAL A 27 0.680 1.791 -6.927 1.00 0.00 C ATOM 440 CG2 VAL A 27 -1.358 1.316 -5.621 1.00 0.00 C ATOM 0 H VAL A 27 0.139 1.976 -2.776 1.00 0.00 H new ATOM 0 HA VAL A 27 0.986 0.042 -4.833 1.00 0.00 H new ATOM 0 HB VAL A 27 0.044 2.881 -5.152 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.050 2.346 -7.622 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.678 2.229 -6.912 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.745 0.751 -7.248 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.918 1.901 -6.351 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.332 0.273 -5.936 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.844 1.389 -4.648 1.00 0.00 H new ATOM 450 N GLY A 28 2.607 2.810 -3.901 1.00 0.00 N ATOM 451 CA GLY A 28 3.907 3.488 -3.999 1.00 0.00 C ATOM 452 C GLY A 28 4.004 4.821 -3.255 1.00 0.00 C ATOM 453 O GLY A 28 3.113 5.208 -2.500 1.00 0.00 O ATOM 0 H GLY A 28 1.913 3.319 -3.354 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.677 2.819 -3.615 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.130 3.661 -5.052 1.00 0.00 H new ATOM 457 N VAL A 29 5.120 5.521 -3.463 1.00 0.00 N ATOM 458 CA VAL A 29 5.543 6.719 -2.715 1.00 0.00 C ATOM 459 C VAL A 29 5.883 7.864 -3.671 1.00 0.00 C ATOM 460 O VAL A 29 6.679 7.684 -4.594 1.00 0.00 O ATOM 461 CB VAL A 29 6.759 6.396 -1.824 1.00 0.00 C ATOM 462 CG1 VAL A 29 7.129 7.599 -0.959 1.00 0.00 C ATOM 463 CG2 VAL A 29 6.475 5.231 -0.873 1.00 0.00 C ATOM 0 H VAL A 29 5.788 5.262 -4.189 1.00 0.00 H new ATOM 0 HA VAL A 29 4.714 7.032 -2.080 1.00 0.00 H new ATOM 0 HB VAL A 29 7.572 6.134 -2.501 1.00 0.00 H new ATOM 0 HG11 VAL A 29 7.989 7.350 -0.338 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.377 8.445 -1.600 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.285 7.862 -0.321 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.357 5.036 -0.263 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.636 5.486 -0.226 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.230 4.340 -1.452 1.00 0.00 H new ATOM 473 N GLY A 30 5.277 9.039 -3.468 1.00 0.00 N ATOM 474 CA GLY A 30 5.537 10.264 -4.246 1.00 0.00 C ATOM 475 C GLY A 30 4.946 10.292 -5.666 1.00 0.00 C ATOM 476 O GLY A 30 4.879 11.358 -6.283 1.00 0.00 O ATOM 0 H GLY A 30 4.574 9.172 -2.741 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.142 11.115 -3.691 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.616 10.404 -4.319 1.00 0.00 H new ATOM 480 N SER A 31 4.500 9.131 -6.154 1.00 0.00 N ATOM 481 CA SER A 31 4.167 8.729 -7.526 1.00 0.00 C ATOM 482 C SER A 31 3.320 7.447 -7.466 1.00 0.00 C ATOM 483 O SER A 31 3.225 6.817 -6.408 1.00 0.00 O ATOM 484 CB SER A 31 5.452 8.420 -8.320 1.00 0.00 C ATOM 485 OG SER A 31 6.269 9.569 -8.477 1.00 0.00 O ATOM 0 H SER A 31 4.344 8.351 -5.515 1.00 0.00 H new ATOM 0 HA SER A 31 3.625 9.539 -8.014 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.016 7.641 -7.807 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.186 8.027 -9.301 1.00 0.00 H new ATOM 0 HG SER A 31 7.074 9.332 -8.984 1.00 0.00 H new ATOM 491 N CYS A 32 2.730 7.023 -8.587 1.00 0.00 N ATOM 492 CA CYS A 32 1.911 5.812 -8.675 1.00 0.00 C ATOM 493 C CYS A 32 2.375 4.903 -9.828 1.00 0.00 C ATOM 494 O CYS A 32 2.539 5.363 -10.961 1.00 0.00 O ATOM 495 CB CYS A 32 0.439 6.215 -8.809 1.00 0.00 C ATOM 496 SG CYS A 32 -0.679 5.009 -8.060 1.00 0.00 S ATOM 0 H CYS A 32 2.810 7.521 -9.474 1.00 0.00 H new ATOM 0 HA CYS A 32 2.029 5.226 -7.764 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.287 7.187 -8.339 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.191 6.329 -9.864 1.00 0.00 H new ATOM 707 N ASP A 50 -8.198 -5.700 5.109 1.00 0.00 N ATOM 708 CA ASP A 50 -9.060 -4.527 5.068 1.00 0.00 C ATOM 709 C ASP A 50 -8.243 -3.251 5.365 1.00 0.00 C ATOM 710 O ASP A 50 -7.094 -3.285 5.807 1.00 0.00 O ATOM 711 CB ASP A 50 -10.206 -4.713 6.089 1.00 0.00 C ATOM 712 CG ASP A 50 -11.536 -4.091 5.627 1.00 0.00 C ATOM 713 OD1 ASP A 50 -11.524 -2.967 5.076 1.00 0.00 O ATOM 714 OD2 ASP A 50 -12.600 -4.725 5.828 1.00 0.00 O ATOM 0 HA ASP A 50 -9.489 -4.415 4.072 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.354 -5.778 6.270 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.914 -4.266 7.039 1.00 0.00 H new ATOM 719 N TRP A 51 -8.873 -2.104 5.165 1.00 0.00 N ATOM 720 CA TRP A 51 -8.421 -0.761 5.540 1.00 0.00 C ATOM 721 C TRP A 51 -8.123 -0.633 7.046 1.00 0.00 C ATOM 722 O TRP A 51 -7.173 0.043 7.449 1.00 0.00 O ATOM 723 CB TRP A 51 -9.483 0.256 5.095 1.00 0.00 C ATOM 724 CG TRP A 51 -9.640 1.458 5.972 1.00 0.00 C ATOM 725 CD1 TRP A 51 -10.656 1.668 6.839 1.00 0.00 C ATOM 726 CD2 TRP A 51 -8.728 2.584 6.133 1.00 0.00 C ATOM 727 NE1 TRP A 51 -10.454 2.868 7.495 1.00 0.00 N ATOM 728 CE2 TRP A 51 -9.285 3.479 7.090 1.00 0.00 C ATOM 729 CE3 TRP A 51 -7.470 2.921 5.594 1.00 0.00 C ATOM 730 CZ2 TRP A 51 -8.650 4.675 7.458 1.00 0.00 C ATOM 731 CZ3 TRP A 51 -6.816 4.109 5.965 1.00 0.00 C ATOM 732 CH2 TRP A 51 -7.408 4.993 6.883 1.00 0.00 C ATOM 0 H TRP A 51 -9.782 -2.079 4.702 1.00 0.00 H new ATOM 0 HA TRP A 51 -7.477 -0.561 5.034 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -9.237 0.594 4.088 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -10.444 -0.254 5.034 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -11.493 1.003 6.994 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -11.091 3.254 8.192 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -7.001 2.256 4.884 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -9.109 5.342 8.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -5.851 4.344 5.541 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -6.910 5.914 7.146 1.00 0.00 H new ATOM 743 N LEU A 52 -8.921 -1.293 7.889 1.00 0.00 N ATOM 744 CA LEU A 52 -8.791 -1.255 9.348 1.00 0.00 C ATOM 745 C LEU A 52 -7.405 -1.759 9.802 1.00 0.00 C ATOM 746 O LEU A 52 -6.750 -1.139 10.641 1.00 0.00 O ATOM 747 CB LEU A 52 -9.963 -2.056 9.959 1.00 0.00 C ATOM 748 CG LEU A 52 -10.604 -1.472 11.232 1.00 0.00 C ATOM 749 CD1 LEU A 52 -9.621 -1.335 12.394 1.00 0.00 C ATOM 750 CD2 LEU A 52 -11.282 -0.121 10.986 1.00 0.00 C ATOM 0 H LEU A 52 -9.691 -1.881 7.570 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.851 -0.228 9.709 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.740 -2.156 9.201 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.608 -3.061 10.186 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.364 -2.202 11.511 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -10.136 -0.918 13.259 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.220 -2.316 12.649 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.805 -0.673 12.104 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -11.716 0.243 11.917 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.544 0.596 10.625 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -12.068 -0.239 10.241 1.00 0.00 H new ATOM 762 N THR A 53 -6.921 -2.845 9.192 1.00 0.00 N ATOM 763 CA THR A 53 -5.573 -3.402 9.397 1.00 0.00 C ATOM 764 C THR A 53 -4.493 -2.756 8.521 1.00 0.00 C ATOM 765 O THR A 53 -3.348 -2.679 8.961 1.00 0.00 O ATOM 766 CB THR A 53 -5.567 -4.925 9.182 1.00 0.00 C ATOM 767 OG1 THR A 53 -6.362 -5.266 8.067 1.00 0.00 O ATOM 768 CG2 THR A 53 -6.146 -5.646 10.401 1.00 0.00 C ATOM 0 H THR A 53 -7.471 -3.380 8.520 1.00 0.00 H new ATOM 0 HA THR A 53 -5.321 -3.170 10.432 1.00 0.00 H new ATOM 0 HB THR A 53 -4.532 -5.228 9.022 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.335 -4.539 7.411 1.00 0.00 H new ATOM 0 HG21 THR A 53 -6.132 -6.722 10.228 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.546 -5.412 11.281 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.173 -5.318 10.564 1.00 0.00 H new ATOM 776 N PHE A 54 -4.823 -2.212 7.340 1.00 0.00 N ATOM 777 CA PHE A 54 -3.907 -1.456 6.464 1.00 0.00 C ATOM 778 C PHE A 54 -3.173 -0.333 7.205 1.00 0.00 C ATOM 779 O PHE A 54 -1.965 -0.156 7.036 1.00 0.00 O ATOM 780 CB PHE A 54 -4.699 -0.887 5.274 1.00 0.00 C ATOM 781 CG PHE A 54 -3.953 0.091 4.387 1.00 0.00 C ATOM 782 CD1 PHE A 54 -3.224 -0.369 3.276 1.00 0.00 C ATOM 783 CD2 PHE A 54 -4.010 1.472 4.661 1.00 0.00 C ATOM 784 CE1 PHE A 54 -2.536 0.549 2.465 1.00 0.00 C ATOM 785 CE2 PHE A 54 -3.326 2.389 3.842 1.00 0.00 C ATOM 786 CZ PHE A 54 -2.579 1.923 2.751 1.00 0.00 C ATOM 0 H PHE A 54 -5.764 -2.287 6.954 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.140 -2.145 6.110 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -5.039 -1.719 4.658 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -5.590 -0.391 5.660 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -3.193 -1.424 3.047 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.582 1.829 5.505 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.970 0.195 1.616 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.376 3.447 4.053 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.037 2.621 2.130 1.00 0.00 H new ATOM 796 N GLN A 55 -3.896 0.386 8.068 1.00 0.00 N ATOM 797 CA GLN A 55 -3.331 1.380 8.980 1.00 0.00 C ATOM 798 C GLN A 55 -2.269 0.743 9.881 1.00 0.00 C ATOM 799 O GLN A 55 -1.089 1.066 9.775 1.00 0.00 O ATOM 800 CB GLN A 55 -4.450 2.009 9.817 1.00 0.00 C ATOM 801 CG GLN A 55 -5.386 2.872 8.968 1.00 0.00 C ATOM 802 CD GLN A 55 -6.735 3.003 9.655 1.00 0.00 C ATOM 803 OE1 GLN A 55 -6.973 3.864 10.491 1.00 0.00 O ATOM 804 NE2 GLN A 55 -7.650 2.115 9.350 1.00 0.00 N ATOM 0 H GLN A 55 -4.908 0.291 8.153 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.847 2.163 8.396 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.025 1.221 10.304 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.012 2.619 10.607 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -4.948 3.859 8.817 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.512 2.425 7.982 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.452 1.397 8.653 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.560 2.142 9.810 1.00 0.00 H new ATOM 813 N LYS A 56 -2.669 -0.203 10.740 1.00 0.00 N ATOM 814 CA LYS A 56 -1.753 -0.852 11.707 1.00 0.00 C ATOM 815 C LYS A 56 -0.565 -1.594 11.063 1.00 0.00 C ATOM 816 O LYS A 56 0.456 -1.789 11.724 1.00 0.00 O ATOM 817 CB LYS A 56 -2.530 -1.780 12.662 1.00 0.00 C ATOM 818 CG LYS A 56 -3.734 -1.126 13.370 1.00 0.00 C ATOM 819 CD LYS A 56 -3.359 0.138 14.159 1.00 0.00 C ATOM 820 CE LYS A 56 -4.576 0.662 14.932 1.00 0.00 C ATOM 821 NZ LYS A 56 -4.253 1.908 15.676 1.00 0.00 N ATOM 0 H LYS A 56 -3.629 -0.544 10.790 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.308 -0.036 12.277 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -2.884 -2.643 12.098 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.842 -2.155 13.420 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -4.490 -0.872 12.627 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -4.185 -1.850 14.049 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.548 -0.085 14.852 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.994 0.906 13.477 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.395 0.853 14.238 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.921 -0.101 15.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.097 2.236 16.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.488 1.719 16.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.947 2.643 15.006 1.00 0.00 H new ATOM 835 N LYS A 57 -0.665 -1.966 9.780 1.00 0.00 N ATOM 836 CA LYS A 57 0.395 -2.598 8.967 1.00 0.00 C ATOM 837 C LYS A 57 1.592 -1.663 8.728 1.00 0.00 C ATOM 838 O LYS A 57 2.731 -2.076 8.949 1.00 0.00 O ATOM 839 CB LYS A 57 -0.242 -3.145 7.668 1.00 0.00 C ATOM 840 CG LYS A 57 0.580 -4.164 6.856 1.00 0.00 C ATOM 841 CD LYS A 57 1.758 -3.585 6.059 1.00 0.00 C ATOM 842 CE LYS A 57 2.220 -4.597 5.006 1.00 0.00 C ATOM 843 NZ LYS A 57 3.411 -4.122 4.257 1.00 0.00 N ATOM 0 H LYS A 57 -1.526 -1.830 9.251 1.00 0.00 H new ATOM 0 HA LYS A 57 0.826 -3.436 9.514 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.194 -3.609 7.928 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.467 -2.298 7.019 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.965 -4.920 7.540 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.089 -4.673 6.162 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.460 -2.655 5.576 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.581 -3.345 6.732 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.453 -5.544 5.492 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.406 -4.789 4.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.688 -4.838 3.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.183 -3.231 3.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.197 -3.963 4.919 1.00 0.00 H new ATOM 857 N HIS A 58 1.375 -0.427 8.251 1.00 0.00 N ATOM 858 CA HIS A 58 2.472 0.490 7.871 1.00 0.00 C ATOM 859 C HIS A 58 2.167 1.996 8.028 1.00 0.00 C ATOM 860 O HIS A 58 2.791 2.831 7.378 1.00 0.00 O ATOM 861 CB HIS A 58 2.920 0.137 6.442 1.00 0.00 C ATOM 862 CG HIS A 58 1.957 0.620 5.391 1.00 0.00 C ATOM 863 ND1 HIS A 58 2.169 1.720 4.589 1.00 0.00 N ATOM 864 CD2 HIS A 58 0.685 0.164 5.176 1.00 0.00 C ATOM 865 CE1 HIS A 58 1.031 1.933 3.899 1.00 0.00 C ATOM 866 NE2 HIS A 58 0.116 1.002 4.241 1.00 0.00 N ATOM 0 H HIS A 58 0.444 -0.033 8.117 1.00 0.00 H new ATOM 0 HA HIS A 58 3.282 0.333 8.584 1.00 0.00 H new ATOM 0 HB2 HIS A 58 3.902 0.573 6.256 1.00 0.00 H new ATOM 0 HB3 HIS A 58 3.030 -0.944 6.358 1.00 0.00 H new ATOM 0 HD2 HIS A 58 0.217 -0.688 5.648 1.00 0.00 H new ATOM 0 HE1 HIS A 58 0.875 2.726 3.183 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -0.832 0.931 3.872 1.00 0.00 H new ATOM 875 N ILE A 59 1.207 2.380 8.863 1.00 0.00 N ATOM 876 CA ILE A 59 0.835 3.784 9.129 1.00 0.00 C ATOM 877 C ILE A 59 0.813 4.030 10.641 1.00 0.00 C ATOM 878 O ILE A 59 0.450 3.149 11.424 1.00 0.00 O ATOM 879 CB ILE A 59 -0.511 4.162 8.455 1.00 0.00 C ATOM 880 CG1 ILE A 59 -0.499 3.738 6.964 1.00 0.00 C ATOM 881 CG2 ILE A 59 -0.804 5.669 8.608 1.00 0.00 C ATOM 882 CD1 ILE A 59 -1.556 4.385 6.065 1.00 0.00 C ATOM 0 H ILE A 59 0.645 1.713 9.392 1.00 0.00 H new ATOM 0 HA ILE A 59 1.586 4.436 8.684 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.314 3.623 8.957 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.485 3.964 6.552 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.624 2.656 6.915 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.753 5.906 8.127 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.861 5.923 9.666 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.006 6.244 8.139 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.447 4.010 5.047 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.550 4.139 6.438 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.424 5.467 6.069 1.00 0.00 H new ATOM 894 N THR A 60 1.214 5.230 11.058 1.00 0.00 N ATOM 895 CA THR A 60 1.223 5.630 12.476 1.00 0.00 C ATOM 896 C THR A 60 0.838 7.094 12.704 1.00 0.00 C ATOM 897 O THR A 60 1.063 7.956 11.855 1.00 0.00 O ATOM 898 CB THR A 60 2.588 5.310 13.110 1.00 0.00 C ATOM 899 OG1 THR A 60 2.545 5.637 14.479 1.00 0.00 O ATOM 900 CG2 THR A 60 3.767 6.057 12.481 1.00 0.00 C ATOM 0 H THR A 60 1.544 5.959 10.425 1.00 0.00 H new ATOM 0 HA THR A 60 0.448 5.043 12.970 1.00 0.00 H new ATOM 0 HB THR A 60 2.757 4.247 12.939 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.407 6.013 14.753 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.690 5.773 12.987 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.839 5.799 11.424 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.613 7.131 12.583 1.00 0.00 H new ATOM 908 N ASN A 61 0.300 7.385 13.893 1.00 0.00 N ATOM 909 CA ASN A 61 0.061 8.729 14.416 1.00 0.00 C ATOM 910 C ASN A 61 1.311 9.336 15.098 1.00 0.00 C ATOM 911 O ASN A 61 1.252 10.459 15.599 1.00 0.00 O ATOM 912 CB ASN A 61 -1.125 8.651 15.393 1.00 0.00 C ATOM 913 CG ASN A 61 -2.434 8.274 14.717 1.00 0.00 C ATOM 914 OD1 ASN A 61 -2.799 8.785 13.669 1.00 0.00 O ATOM 915 ND2 ASN A 61 -3.202 7.382 15.301 1.00 0.00 N ATOM 0 H ASN A 61 0.007 6.656 14.544 1.00 0.00 H new ATOM 0 HA ASN A 61 -0.170 9.397 13.586 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.900 7.919 16.169 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.244 9.615 15.888 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -4.094 7.122 14.879 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -2.907 6.949 16.176 1.00 0.00 H new ATOM 922 N THR A 62 2.430 8.601 15.147 1.00 0.00 N ATOM 923 CA THR A 62 3.730 9.026 15.702 1.00 0.00 C ATOM 924 C THR A 62 4.868 8.096 15.243 1.00 0.00 C ATOM 925 O THR A 62 4.910 6.915 15.601 1.00 0.00 O ATOM 926 CB THR A 62 3.669 9.126 17.243 1.00 0.00 C ATOM 927 OG1 THR A 62 4.931 9.491 17.766 1.00 0.00 O ATOM 928 CG2 THR A 62 3.205 7.860 17.978 1.00 0.00 C ATOM 0 H THR A 62 2.459 7.648 14.784 1.00 0.00 H new ATOM 0 HA THR A 62 3.948 10.021 15.314 1.00 0.00 H new ATOM 0 HB THR A 62 2.909 9.887 17.422 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.875 9.552 18.743 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.200 8.044 19.052 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.199 7.597 17.651 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.886 7.039 17.754 1.00 0.00 H new ATOM 936 N ARG A 63 5.800 8.588 14.409 1.00 0.00 N ATOM 937 CA ARG A 63 7.017 7.839 14.044 1.00 0.00 C ATOM 938 C ARG A 63 7.947 7.694 15.259 1.00 0.00 C ATOM 939 O ARG A 63 8.651 8.635 15.628 1.00 0.00 O ATOM 940 CB ARG A 63 7.738 8.492 12.848 1.00 0.00 C ATOM 941 CG ARG A 63 8.928 7.628 12.407 1.00 0.00 C ATOM 942 CD ARG A 63 9.735 8.268 11.281 1.00 0.00 C ATOM 943 NE ARG A 63 10.464 9.477 11.715 1.00 0.00 N ATOM 944 CZ ARG A 63 11.613 9.546 12.365 1.00 0.00 C ATOM 945 NH1 ARG A 63 12.268 8.488 12.752 1.00 0.00 N ATOM 946 NH2 ARG A 63 12.135 10.705 12.646 1.00 0.00 N ATOM 0 H ARG A 63 5.734 9.507 13.972 1.00 0.00 H new ATOM 0 HA ARG A 63 6.721 6.838 13.730 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.042 8.615 12.018 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.085 9.488 13.123 1.00 0.00 H new ATOM 0 HG2 ARG A 63 9.581 7.452 13.262 1.00 0.00 H new ATOM 0 HG3 ARG A 63 8.563 6.655 12.079 1.00 0.00 H new ATOM 0 HD2 ARG A 63 10.447 7.540 10.891 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.064 8.528 10.462 1.00 0.00 H new ATOM 0 HE ARG A 63 10.027 10.369 11.485 1.00 0.00 H new ATOM 0 HH11 ARG A 63 11.897 7.558 12.556 1.00 0.00 H new ATOM 0 HH12 ARG A 63 13.152 8.590 13.251 1.00 0.00 H new ATOM 0 HH21 ARG A 63 11.657 11.561 12.365 1.00 0.00 H new ATOM 0 HH22 ARG A 63 13.022 10.757 13.148 1.00 0.00 H new ATOM 960 N ASP A 64 7.978 6.498 15.843 1.00 0.00 N ATOM 961 CA ASP A 64 8.847 6.120 16.973 1.00 0.00 C ATOM 962 C ASP A 64 9.852 4.998 16.620 1.00 0.00 C ATOM 963 O ASP A 64 10.614 4.530 17.468 1.00 0.00 O ATOM 964 CB ASP A 64 7.945 5.757 18.165 1.00 0.00 C ATOM 965 CG ASP A 64 8.711 5.648 19.497 1.00 0.00 C ATOM 966 OD1 ASP A 64 9.400 6.622 19.886 1.00 0.00 O ATOM 967 OD2 ASP A 64 8.577 4.610 20.191 1.00 0.00 O ATOM 0 H ASP A 64 7.379 5.732 15.536 1.00 0.00 H new ATOM 0 HA ASP A 64 9.479 6.968 17.237 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.164 6.511 18.264 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.449 4.808 17.961 1.00 0.00 H new ATOM 972 N VAL A 65 9.868 4.560 15.354 1.00 0.00 N ATOM 973 CA VAL A 65 10.741 3.491 14.840 1.00 0.00 C ATOM 974 C VAL A 65 12.202 3.945 14.686 1.00 0.00 C ATOM 975 O VAL A 65 12.484 5.094 14.343 1.00 0.00 O ATOM 976 CB VAL A 65 10.168 2.932 13.519 1.00 0.00 C ATOM 977 CG1 VAL A 65 10.066 3.972 12.399 1.00 0.00 C ATOM 978 CG2 VAL A 65 10.972 1.737 13.005 1.00 0.00 C ATOM 0 H VAL A 65 9.257 4.950 14.637 1.00 0.00 H new ATOM 0 HA VAL A 65 10.758 2.689 15.578 1.00 0.00 H new ATOM 0 HB VAL A 65 9.157 2.616 13.777 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.655 3.504 11.504 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.413 4.785 12.716 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.057 4.368 12.179 1.00 0.00 H new ATOM 0 HG21 VAL A 65 10.533 1.377 12.075 1.00 0.00 H new ATOM 0 HG22 VAL A 65 12.003 2.042 12.826 1.00 0.00 H new ATOM 0 HG23 VAL A 65 10.953 0.939 13.748 1.00 0.00 H new ATOM 988 N ASP A 66 13.135 3.007 14.893 1.00 0.00 N ATOM 989 CA ASP A 66 14.588 3.172 14.693 1.00 0.00 C ATOM 990 C ASP A 66 15.223 1.977 13.937 1.00 0.00 C ATOM 991 O ASP A 66 16.445 1.859 13.844 1.00 0.00 O ATOM 992 CB ASP A 66 15.241 3.404 16.067 1.00 0.00 C ATOM 993 CG ASP A 66 16.676 3.960 15.980 1.00 0.00 C ATOM 994 OD1 ASP A 66 16.898 4.974 15.273 1.00 0.00 O ATOM 995 OD2 ASP A 66 17.577 3.426 16.673 1.00 0.00 O ATOM 0 H ASP A 66 12.892 2.071 15.218 1.00 0.00 H new ATOM 0 HA ASP A 66 14.766 4.037 14.054 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.626 4.097 16.641 1.00 0.00 H new ATOM 0 HB3 ASP A 66 15.257 2.463 16.616 1.00 0.00 H new ATOM 1000 N CYS A 67 14.385 1.073 13.407 1.00 0.00 N ATOM 1001 CA CYS A 67 14.738 -0.190 12.735 1.00 0.00 C ATOM 1002 C CYS A 67 15.701 -1.075 13.566 1.00 0.00 C ATOM 1003 O CYS A 67 16.608 -1.727 13.050 1.00 0.00 O ATOM 1004 CB CYS A 67 15.152 0.107 11.284 1.00 0.00 C ATOM 1005 SG CYS A 67 13.913 1.122 10.418 1.00 0.00 S ATOM 0 H CYS A 67 13.375 1.213 13.438 1.00 0.00 H new ATOM 0 HA CYS A 67 13.862 -0.835 12.669 1.00 0.00 H new ATOM 0 HB2 CYS A 67 16.112 0.623 11.279 1.00 0.00 H new ATOM 0 HB3 CYS A 67 15.292 -0.831 10.747 1.00 0.00 H new ATOM 1010 N ASP A 68 15.463 -1.086 14.885 1.00 0.00 N ATOM 1011 CA ASP A 68 16.251 -1.723 15.949 1.00 0.00 C ATOM 1012 C ASP A 68 15.372 -2.269 17.094 1.00 0.00 C ATOM 1013 O ASP A 68 15.657 -3.346 17.618 1.00 0.00 O ATOM 1014 CB ASP A 68 17.274 -0.704 16.483 1.00 0.00 C ATOM 1015 CG ASP A 68 18.071 -1.227 17.693 1.00 0.00 C ATOM 1016 OD1 ASP A 68 18.994 -2.053 17.498 1.00 0.00 O ATOM 1017 OD2 ASP A 68 17.767 -0.822 18.839 1.00 0.00 O ATOM 0 H ASP A 68 14.646 -0.610 15.267 1.00 0.00 H new ATOM 0 HA ASP A 68 16.764 -2.586 15.525 1.00 0.00 H new ATOM 0 HB2 ASP A 68 17.968 -0.442 15.684 1.00 0.00 H new ATOM 0 HB3 ASP A 68 16.753 0.211 16.766 1.00 0.00 H new ATOM 1022 N ASN A 69 14.280 -1.574 17.441 1.00 0.00 N ATOM 1023 CA ASN A 69 13.335 -1.938 18.507 1.00 0.00 C ATOM 1024 C ASN A 69 12.052 -2.615 17.990 1.00 0.00 C ATOM 1025 O ASN A 69 11.234 -3.080 18.789 1.00 0.00 O ATOM 1026 CB ASN A 69 13.012 -0.714 19.374 1.00 0.00 C ATOM 1027 CG ASN A 69 12.347 0.404 18.600 1.00 0.00 C ATOM 1028 OD1 ASN A 69 11.159 0.400 18.319 1.00 0.00 O ATOM 1029 ND2 ASN A 69 13.122 1.380 18.205 1.00 0.00 N ATOM 0 H ASN A 69 14.020 -0.708 16.968 1.00 0.00 H new ATOM 0 HA ASN A 69 13.832 -2.689 19.121 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.360 -1.018 20.193 1.00 0.00 H new ATOM 0 HB3 ASN A 69 13.933 -0.340 19.821 1.00 0.00 H new ATOM 0 HD21 ASN A 69 12.735 2.148 17.656 1.00 0.00 H new ATOM 0 HD22 ASN A 69 14.113 1.373 18.445 1.00 0.00 H new ATOM 1036 N ILE A 70 11.880 -2.723 16.663 1.00 0.00 N ATOM 1037 CA ILE A 70 10.693 -3.316 16.019 1.00 0.00 C ATOM 1038 C ILE A 70 10.457 -4.784 16.397 1.00 0.00 C ATOM 1039 O ILE A 70 9.345 -5.284 16.251 1.00 0.00 O ATOM 1040 CB ILE A 70 10.730 -3.113 14.491 1.00 0.00 C ATOM 1041 CG1 ILE A 70 11.863 -3.918 13.813 1.00 0.00 C ATOM 1042 CG2 ILE A 70 10.801 -1.603 14.205 1.00 0.00 C ATOM 1043 CD1 ILE A 70 12.108 -3.527 12.356 1.00 0.00 C ATOM 0 H ILE A 70 12.575 -2.394 15.993 1.00 0.00 H new ATOM 0 HA ILE A 70 9.832 -2.776 16.412 1.00 0.00 H new ATOM 0 HB ILE A 70 9.817 -3.511 14.048 1.00 0.00 H new ATOM 0 HG12 ILE A 70 12.785 -3.777 14.378 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.620 -4.980 13.859 1.00 0.00 H new ATOM 0 HG21 ILE A 70 10.828 -1.438 13.128 1.00 0.00 H new ATOM 0 HG22 ILE A 70 9.924 -1.111 14.626 1.00 0.00 H new ATOM 0 HG23 ILE A 70 11.701 -1.189 14.658 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.916 -4.134 11.947 1.00 0.00 H new ATOM 0 HD12 ILE A 70 11.200 -3.695 11.777 1.00 0.00 H new ATOM 0 HD13 ILE A 70 12.383 -2.474 12.303 1.00 0.00 H new ATOM 1055 N MET A 71 11.466 -5.433 16.989 1.00 0.00 N ATOM 1056 CA MET A 71 11.381 -6.748 17.644 1.00 0.00 C ATOM 1057 C MET A 71 10.279 -6.830 18.725 1.00 0.00 C ATOM 1058 O MET A 71 9.742 -7.909 18.976 1.00 0.00 O ATOM 1059 CB MET A 71 12.760 -7.066 18.247 1.00 0.00 C ATOM 1060 CG MET A 71 12.907 -8.525 18.686 1.00 0.00 C ATOM 1061 SD MET A 71 14.586 -8.949 19.222 1.00 0.00 S ATOM 1062 CE MET A 71 14.312 -10.669 19.731 1.00 0.00 C ATOM 0 H MET A 71 12.407 -5.041 17.028 1.00 0.00 H new ATOM 0 HA MET A 71 11.100 -7.486 16.892 1.00 0.00 H new ATOM 0 HB2 MET A 71 13.532 -6.835 17.513 1.00 0.00 H new ATOM 0 HB3 MET A 71 12.932 -6.416 19.105 1.00 0.00 H new ATOM 0 HG2 MET A 71 12.212 -8.723 19.502 1.00 0.00 H new ATOM 0 HG3 MET A 71 12.622 -9.176 17.860 1.00 0.00 H new ATOM 0 HE1 MET A 71 15.248 -11.095 20.093 1.00 0.00 H new ATOM 0 HE2 MET A 71 13.568 -10.699 20.527 1.00 0.00 H new ATOM 0 HE3 MET A 71 13.955 -11.248 18.879 1.00 0.00 H new ATOM 1072 N SER A 72 9.917 -5.696 19.340 1.00 0.00 N ATOM 1073 CA SER A 72 8.878 -5.568 20.378 1.00 0.00 C ATOM 1074 C SER A 72 7.553 -4.964 19.864 1.00 0.00 C ATOM 1075 O SER A 72 6.615 -4.772 20.642 1.00 0.00 O ATOM 1076 CB SER A 72 9.451 -4.738 21.536 1.00 0.00 C ATOM 1077 OG SER A 72 8.697 -4.909 22.727 1.00 0.00 O ATOM 0 H SER A 72 10.358 -4.803 19.120 1.00 0.00 H new ATOM 0 HA SER A 72 8.617 -6.571 20.714 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.486 -5.029 21.715 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.460 -3.684 21.259 1.00 0.00 H new ATOM 0 HG SER A 72 7.741 -4.912 22.511 1.00 0.00 H new ATOM 1083 N THR A 73 7.453 -4.660 18.563 1.00 0.00 N ATOM 1084 CA THR A 73 6.255 -4.091 17.902 1.00 0.00 C ATOM 1085 C THR A 73 5.494 -5.157 17.098 1.00 0.00 C ATOM 1086 O THR A 73 5.855 -6.335 17.109 1.00 0.00 O ATOM 1087 CB THR A 73 6.616 -2.907 16.983 1.00 0.00 C ATOM 1088 OG1 THR A 73 7.278 -3.362 15.824 1.00 0.00 O ATOM 1089 CG2 THR A 73 7.473 -1.834 17.657 1.00 0.00 C ATOM 0 H THR A 73 8.226 -4.806 17.914 1.00 0.00 H new ATOM 0 HA THR A 73 5.607 -3.725 18.698 1.00 0.00 H new ATOM 0 HB THR A 73 5.664 -2.441 16.726 1.00 0.00 H new ATOM 0 HG1 THR A 73 7.966 -4.013 16.075 1.00 0.00 H new ATOM 0 HG21 THR A 73 7.684 -1.036 16.945 1.00 0.00 H new ATOM 0 HG22 THR A 73 6.936 -1.424 18.513 1.00 0.00 H new ATOM 0 HG23 THR A 73 8.411 -2.276 17.994 1.00 0.00 H new ATOM 1097 N ASN A 74 4.456 -4.758 16.352 1.00 0.00 N ATOM 1098 CA ASN A 74 3.786 -5.616 15.364 1.00 0.00 C ATOM 1099 C ASN A 74 4.703 -6.047 14.196 1.00 0.00 C ATOM 1100 O ASN A 74 4.421 -7.033 13.516 1.00 0.00 O ATOM 1101 CB ASN A 74 2.550 -4.884 14.805 1.00 0.00 C ATOM 1102 CG ASN A 74 1.589 -4.404 15.879 1.00 0.00 C ATOM 1103 OD1 ASN A 74 0.932 -5.180 16.557 1.00 0.00 O ATOM 1104 ND2 ASN A 74 1.480 -3.107 16.069 1.00 0.00 N ATOM 0 H ASN A 74 4.054 -3.823 16.417 1.00 0.00 H new ATOM 0 HA ASN A 74 3.497 -6.528 15.886 1.00 0.00 H new ATOM 0 HB2 ASN A 74 2.881 -4.028 14.216 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.019 -5.552 14.126 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.846 -2.748 16.783 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.029 -2.461 15.502 1.00 0.00 H new ATOM 1111 N LEU A 75 5.798 -5.315 13.952 1.00 0.00 N ATOM 1112 CA LEU A 75 6.631 -5.393 12.746 1.00 0.00 C ATOM 1113 C LEU A 75 7.848 -6.335 12.881 1.00 0.00 C ATOM 1114 O LEU A 75 8.724 -6.344 12.013 1.00 0.00 O ATOM 1115 CB LEU A 75 7.044 -3.960 12.346 1.00 0.00 C ATOM 1116 CG LEU A 75 5.931 -2.930 12.053 1.00 0.00 C ATOM 1117 CD1 LEU A 75 4.733 -3.511 11.307 1.00 0.00 C ATOM 1118 CD2 LEU A 75 5.440 -2.176 13.289 1.00 0.00 C ATOM 0 H LEU A 75 6.142 -4.623 14.618 1.00 0.00 H new ATOM 0 HA LEU A 75 6.036 -5.846 11.953 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.666 -3.558 13.146 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.673 -4.031 11.458 1.00 0.00 H new ATOM 0 HG LEU A 75 6.428 -2.216 11.397 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.995 -2.727 11.138 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.061 -3.913 10.348 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.286 -4.308 11.901 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.660 -1.472 13.000 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.039 -2.886 14.012 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.271 -1.632 13.737 1.00 0.00 H new ATOM 1130 N PHE A 76 7.888 -7.156 13.937 1.00 0.00 N ATOM 1131 CA PHE A 76 8.951 -8.094 14.328 1.00 0.00 C ATOM 1132 C PHE A 76 9.183 -9.256 13.347 1.00 0.00 C ATOM 1133 O PHE A 76 10.120 -10.037 13.521 1.00 0.00 O ATOM 1134 CB PHE A 76 8.627 -8.657 15.723 1.00 0.00 C ATOM 1135 CG PHE A 76 7.541 -9.724 15.760 1.00 0.00 C ATOM 1136 CD1 PHE A 76 6.182 -9.366 15.696 1.00 0.00 C ATOM 1137 CD2 PHE A 76 7.892 -11.085 15.850 1.00 0.00 C ATOM 1138 CE1 PHE A 76 5.180 -10.353 15.729 1.00 0.00 C ATOM 1139 CE2 PHE A 76 6.892 -12.075 15.884 1.00 0.00 C ATOM 1140 CZ PHE A 76 5.535 -11.710 15.824 1.00 0.00 C ATOM 0 H PHE A 76 7.111 -7.185 14.598 1.00 0.00 H new ATOM 0 HA PHE A 76 9.878 -7.521 14.325 1.00 0.00 H new ATOM 0 HB2 PHE A 76 9.539 -9.076 16.148 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.324 -7.832 16.368 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.906 -8.325 15.621 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.933 -11.370 15.893 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.139 -10.069 15.681 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.167 -13.117 15.956 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.768 -12.470 15.851 1.00 0.00 H new ATOM 1150 N HIS A 77 8.349 -9.370 12.306 1.00 0.00 N ATOM 1151 CA HIS A 77 8.330 -10.444 11.301 1.00 0.00 C ATOM 1152 C HIS A 77 9.626 -10.582 10.463 1.00 0.00 C ATOM 1153 O HIS A 77 9.744 -11.502 9.654 1.00 0.00 O ATOM 1154 CB HIS A 77 7.085 -10.222 10.417 1.00 0.00 C ATOM 1155 CG HIS A 77 6.714 -11.413 9.568 1.00 0.00 C ATOM 1156 ND1 HIS A 77 6.126 -12.578 10.025 1.00 0.00 N ATOM 1157 CD2 HIS A 77 6.916 -11.532 8.222 1.00 0.00 C ATOM 1158 CE1 HIS A 77 5.984 -13.401 8.966 1.00 0.00 C ATOM 1159 NE2 HIS A 77 6.454 -12.786 7.859 1.00 0.00 N ATOM 0 H HIS A 77 7.625 -8.673 12.131 1.00 0.00 H new ATOM 0 HA HIS A 77 8.278 -11.399 11.825 1.00 0.00 H new ATOM 0 HB2 HIS A 77 6.239 -9.967 11.056 1.00 0.00 H new ATOM 0 HB3 HIS A 77 7.262 -9.366 9.766 1.00 0.00 H new ATOM 0 HD2 HIS A 77 7.352 -10.791 7.568 1.00 0.00 H new ATOM 0 HE1 HIS A 77 5.561 -14.394 8.998 1.00 0.00 H new ATOM 0 HE2 HIS A 77 6.466 -13.178 6.917 1.00 0.00 H new ATOM 1168 N CYS A 78 10.600 -9.679 10.639 1.00 0.00 N ATOM 1169 CA CYS A 78 11.873 -9.611 9.897 1.00 0.00 C ATOM 1170 C CYS A 78 11.696 -9.506 8.362 1.00 0.00 C ATOM 1171 O CYS A 78 12.480 -10.042 7.574 1.00 0.00 O ATOM 1172 CB CYS A 78 12.788 -10.764 10.343 1.00 0.00 C ATOM 1173 SG CYS A 78 14.557 -10.540 9.992 1.00 0.00 S ATOM 0 H CYS A 78 10.521 -8.938 11.336 1.00 0.00 H new ATOM 0 HA CYS A 78 12.366 -8.673 10.152 1.00 0.00 H new ATOM 0 HB2 CYS A 78 12.664 -10.909 11.416 1.00 0.00 H new ATOM 0 HB3 CYS A 78 12.452 -11.680 9.857 1.00 0.00 H new ATOM 1178 N LYS A 79 10.627 -8.820 7.935 1.00 0.00 N ATOM 1179 CA LYS A 79 10.309 -8.526 6.527 1.00 0.00 C ATOM 1180 C LYS A 79 11.384 -7.658 5.854 1.00 0.00 C ATOM 1181 O LYS A 79 12.145 -6.963 6.527 1.00 0.00 O ATOM 1182 CB LYS A 79 8.881 -7.948 6.411 1.00 0.00 C ATOM 1183 CG LYS A 79 8.493 -6.853 7.422 1.00 0.00 C ATOM 1184 CD LYS A 79 9.221 -5.515 7.220 1.00 0.00 C ATOM 1185 CE LYS A 79 10.180 -5.115 8.352 1.00 0.00 C ATOM 1186 NZ LYS A 79 9.456 -4.751 9.601 1.00 0.00 N ATOM 0 H LYS A 79 9.935 -8.441 8.581 1.00 0.00 H new ATOM 0 HA LYS A 79 10.320 -9.461 5.967 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.759 -7.542 5.407 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.172 -8.770 6.511 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.419 -6.681 7.358 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.699 -7.216 8.429 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.784 -5.563 6.288 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.476 -4.728 7.102 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.862 -5.940 8.557 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.789 -4.271 8.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.936 -3.951 10.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.479 -4.481 9.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.447 -5.566 10.247 1.00 0.00 H new ATOM 1200 N ASP A 80 11.424 -7.668 4.522 1.00 0.00 N ATOM 1201 CA ASP A 80 12.470 -7.021 3.713 1.00 0.00 C ATOM 1202 C ASP A 80 12.461 -5.485 3.802 1.00 0.00 C ATOM 1203 O ASP A 80 13.520 -4.857 3.799 1.00 0.00 O ATOM 1204 CB ASP A 80 12.312 -7.442 2.244 1.00 0.00 C ATOM 1205 CG ASP A 80 12.461 -8.960 2.044 1.00 0.00 C ATOM 1206 OD1 ASP A 80 11.438 -9.680 2.130 1.00 0.00 O ATOM 1207 OD2 ASP A 80 13.594 -9.434 1.795 1.00 0.00 O ATOM 0 H ASP A 80 10.715 -8.136 3.957 1.00 0.00 H new ATOM 0 HA ASP A 80 13.425 -7.353 4.120 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.333 -7.126 1.883 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.057 -6.925 1.640 1.00 0.00 H new ATOM 1212 N LYS A 81 11.277 -4.870 3.887 1.00 0.00 N ATOM 1213 CA LYS A 81 11.088 -3.423 4.077 1.00 0.00 C ATOM 1214 C LYS A 81 9.698 -3.098 4.622 1.00 0.00 C ATOM 1215 O LYS A 81 8.770 -3.890 4.460 1.00 0.00 O ATOM 1216 CB LYS A 81 11.340 -2.664 2.752 1.00 0.00 C ATOM 1217 CG LYS A 81 10.565 -3.232 1.553 1.00 0.00 C ATOM 1218 CD LYS A 81 10.611 -2.336 0.307 1.00 0.00 C ATOM 1219 CE LYS A 81 9.779 -1.057 0.491 1.00 0.00 C ATOM 1220 NZ LYS A 81 9.740 -0.240 -0.751 1.00 0.00 N ATOM 0 H LYS A 81 10.395 -5.378 3.824 1.00 0.00 H new ATOM 0 HA LYS A 81 11.817 -3.093 4.818 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.066 -1.617 2.886 1.00 0.00 H new ATOM 0 HB3 LYS A 81 12.406 -2.688 2.528 1.00 0.00 H new ATOM 0 HG2 LYS A 81 10.971 -4.211 1.300 1.00 0.00 H new ATOM 0 HG3 LYS A 81 9.525 -3.383 1.843 1.00 0.00 H new ATOM 0 HD2 LYS A 81 11.645 -2.068 0.090 1.00 0.00 H new ATOM 0 HD3 LYS A 81 10.238 -2.891 -0.554 1.00 0.00 H new ATOM 0 HE2 LYS A 81 8.763 -1.323 0.783 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.199 -0.464 1.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.170 0.614 -0.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.707 0.035 -1.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.316 -0.797 -1.520 1.00 0.00 H new ATOM 1234 N ASN A 82 9.541 -1.918 5.220 1.00 0.00 N ATOM 1235 CA ASN A 82 8.231 -1.347 5.546 1.00 0.00 C ATOM 1236 C ASN A 82 8.225 0.163 5.283 1.00 0.00 C ATOM 1237 O ASN A 82 9.105 0.877 5.767 1.00 0.00 O ATOM 1238 CB ASN A 82 7.862 -1.659 7.012 1.00 0.00 C ATOM 1239 CG ASN A 82 6.363 -1.811 7.241 1.00 0.00 C ATOM 1240 OD1 ASN A 82 5.573 -2.043 6.336 1.00 0.00 O ATOM 1241 ND2 ASN A 82 5.933 -1.729 8.476 1.00 0.00 N ATOM 0 H ASN A 82 10.324 -1.325 5.495 1.00 0.00 H new ATOM 0 HA ASN A 82 7.478 -1.802 4.903 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.363 -2.577 7.317 1.00 0.00 H new ATOM 0 HB3 ASN A 82 8.240 -0.862 7.652 1.00 0.00 H new ATOM 0 HD21 ASN A 82 4.942 -1.858 8.681 1.00 0.00 H new ATOM 0 HD22 ASN A 82 6.589 -1.536 9.233 1.00 0.00 H new ATOM 1248 N THR A 83 7.245 0.647 4.523 1.00 0.00 N ATOM 1249 CA THR A 83 7.052 2.074 4.237 1.00 0.00 C ATOM 1250 C THR A 83 6.093 2.681 5.265 1.00 0.00 C ATOM 1251 O THR A 83 4.873 2.639 5.082 1.00 0.00 O ATOM 1252 CB THR A 83 6.523 2.279 2.808 1.00 0.00 C ATOM 1253 OG1 THR A 83 7.362 1.668 1.847 1.00 0.00 O ATOM 1254 CG2 THR A 83 6.413 3.768 2.495 1.00 0.00 C ATOM 0 H THR A 83 6.548 0.050 4.078 1.00 0.00 H new ATOM 0 HA THR A 83 8.014 2.581 4.310 1.00 0.00 H new ATOM 0 HB THR A 83 5.539 1.812 2.757 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.207 2.160 1.791 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.037 3.900 1.480 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.727 4.238 3.200 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.396 4.231 2.581 1.00 0.00 H new ATOM 1262 N PHE A 84 6.632 3.225 6.360 1.00 0.00 N ATOM 1263 CA PHE A 84 5.852 3.896 7.400 1.00 0.00 C ATOM 1264 C PHE A 84 5.405 5.286 6.941 1.00 0.00 C ATOM 1265 O PHE A 84 6.224 6.127 6.561 1.00 0.00 O ATOM 1266 CB PHE A 84 6.599 4.004 8.732 1.00 0.00 C ATOM 1267 CG PHE A 84 6.989 2.689 9.368 1.00 0.00 C ATOM 1268 CD1 PHE A 84 5.998 1.841 9.899 1.00 0.00 C ATOM 1269 CD2 PHE A 84 8.348 2.343 9.477 1.00 0.00 C ATOM 1270 CE1 PHE A 84 6.371 0.660 10.565 1.00 0.00 C ATOM 1271 CE2 PHE A 84 8.714 1.128 10.087 1.00 0.00 C ATOM 1272 CZ PHE A 84 7.730 0.299 10.656 1.00 0.00 C ATOM 0 H PHE A 84 7.634 3.211 6.550 1.00 0.00 H new ATOM 0 HA PHE A 84 4.975 3.271 7.569 1.00 0.00 H new ATOM 0 HB2 PHE A 84 7.502 4.594 8.575 1.00 0.00 H new ATOM 0 HB3 PHE A 84 5.975 4.557 9.435 1.00 0.00 H new ATOM 0 HD1 PHE A 84 4.954 2.097 9.795 1.00 0.00 H new ATOM 0 HD2 PHE A 84 9.108 3.007 9.094 1.00 0.00 H new ATOM 0 HE1 PHE A 84 5.615 0.029 11.007 1.00 0.00 H new ATOM 0 HE2 PHE A 84 9.752 0.832 10.118 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.016 -0.612 11.161 1.00 0.00 H new ATOM 1282 N ILE A 85 4.100 5.528 7.006 1.00 0.00 N ATOM 1283 CA ILE A 85 3.463 6.818 6.739 1.00 0.00 C ATOM 1284 C ILE A 85 3.091 7.440 8.087 1.00 0.00 C ATOM 1285 O ILE A 85 2.274 6.882 8.824 1.00 0.00 O ATOM 1286 CB ILE A 85 2.232 6.594 5.837 1.00 0.00 C ATOM 1287 CG1 ILE A 85 2.640 5.997 4.470 1.00 0.00 C ATOM 1288 CG2 ILE A 85 1.433 7.887 5.618 1.00 0.00 C ATOM 1289 CD1 ILE A 85 1.428 5.483 3.691 1.00 0.00 C ATOM 0 H ILE A 85 3.428 4.803 7.256 1.00 0.00 H new ATOM 0 HA ILE A 85 4.130 7.501 6.212 1.00 0.00 H new ATOM 0 HB ILE A 85 1.592 5.883 6.359 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.156 6.756 3.881 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.345 5.181 4.626 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.576 7.681 4.977 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.085 8.267 6.579 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.070 8.633 5.143 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.757 5.072 2.737 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.927 4.706 4.268 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.735 6.305 3.512 1.00 0.00 H new ATOM 1301 N TYR A 86 3.690 8.578 8.439 1.00 0.00 N ATOM 1302 CA TYR A 86 3.255 9.383 9.580 1.00 0.00 C ATOM 1303 C TYR A 86 2.193 10.401 9.124 1.00 0.00 C ATOM 1304 O TYR A 86 2.500 11.543 8.769 1.00 0.00 O ATOM 1305 CB TYR A 86 4.479 9.966 10.300 1.00 0.00 C ATOM 1306 CG TYR A 86 4.224 10.943 11.440 1.00 0.00 C ATOM 1307 CD1 TYR A 86 3.005 10.946 12.151 1.00 0.00 C ATOM 1308 CD2 TYR A 86 5.227 11.871 11.787 1.00 0.00 C ATOM 1309 CE1 TYR A 86 2.775 11.901 13.157 1.00 0.00 C ATOM 1310 CE2 TYR A 86 5.008 12.815 12.809 1.00 0.00 C ATOM 1311 CZ TYR A 86 3.773 12.840 13.493 1.00 0.00 C ATOM 1312 OH TYR A 86 3.538 13.756 14.471 1.00 0.00 O ATOM 0 H TYR A 86 4.490 8.967 7.941 1.00 0.00 H new ATOM 0 HA TYR A 86 2.753 8.775 10.333 1.00 0.00 H new ATOM 0 HB2 TYR A 86 5.065 9.135 10.693 1.00 0.00 H new ATOM 0 HB3 TYR A 86 5.098 10.470 9.557 1.00 0.00 H new ATOM 0 HD1 TYR A 86 2.246 10.212 11.922 1.00 0.00 H new ATOM 0 HD2 TYR A 86 6.172 11.858 11.264 1.00 0.00 H new ATOM 0 HE1 TYR A 86 1.828 11.916 13.676 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.784 13.519 13.069 1.00 0.00 H new ATOM 0 HH TYR A 86 4.326 14.328 14.580 1.00 0.00 H new ATOM 1322 N SER A 87 0.930 9.958 9.110 1.00 0.00 N ATOM 1323 CA SER A 87 -0.273 10.774 8.874 1.00 0.00 C ATOM 1324 C SER A 87 -1.482 10.264 9.680 1.00 0.00 C ATOM 1325 O SER A 87 -1.471 9.156 10.228 1.00 0.00 O ATOM 1326 CB SER A 87 -0.611 10.811 7.374 1.00 0.00 C ATOM 1327 OG SER A 87 -1.078 9.554 6.926 1.00 0.00 O ATOM 0 H SER A 87 0.706 8.976 9.270 1.00 0.00 H new ATOM 0 HA SER A 87 -0.052 11.785 9.216 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.369 11.572 7.188 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.274 11.097 6.806 1.00 0.00 H new ATOM 0 HG SER A 87 -1.287 9.605 5.970 1.00 0.00 H new ATOM 1333 N ARG A 88 -2.544 11.079 9.762 1.00 0.00 N ATOM 1334 CA ARG A 88 -3.850 10.715 10.346 1.00 0.00 C ATOM 1335 C ARG A 88 -4.669 9.876 9.349 1.00 0.00 C ATOM 1336 O ARG A 88 -4.410 9.949 8.149 1.00 0.00 O ATOM 1337 CB ARG A 88 -4.593 12.010 10.749 1.00 0.00 C ATOM 1338 CG ARG A 88 -3.933 12.739 11.935 1.00 0.00 C ATOM 1339 CD ARG A 88 -4.114 12.017 13.280 1.00 0.00 C ATOM 1340 NE ARG A 88 -5.447 12.260 13.874 1.00 0.00 N ATOM 1341 CZ ARG A 88 -5.763 13.127 14.822 1.00 0.00 C ATOM 1342 NH1 ARG A 88 -4.884 13.928 15.354 1.00 0.00 N ATOM 1343 NH2 ARG A 88 -6.987 13.208 15.261 1.00 0.00 N ATOM 0 H ARG A 88 -2.521 12.038 9.415 1.00 0.00 H new ATOM 0 HA ARG A 88 -3.705 10.102 11.236 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.631 12.682 9.892 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.623 11.766 11.008 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.868 12.852 11.734 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -4.351 13.743 12.012 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.973 10.946 13.136 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -3.343 12.350 13.975 1.00 0.00 H new ATOM 0 HE ARG A 88 -6.212 11.692 13.510 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -3.913 13.900 15.041 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -5.166 14.583 16.083 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -7.709 12.601 14.874 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -7.223 13.879 15.992 1.00 0.00 H new ATOM 1357 N PRO A 89 -5.698 9.128 9.791 1.00 0.00 N ATOM 1358 CA PRO A 89 -6.515 8.315 8.886 1.00 0.00 C ATOM 1359 C PRO A 89 -7.419 9.126 7.944 1.00 0.00 C ATOM 1360 O PRO A 89 -7.816 8.616 6.898 1.00 0.00 O ATOM 1361 CB PRO A 89 -7.336 7.399 9.801 1.00 0.00 C ATOM 1362 CG PRO A 89 -7.417 8.169 11.117 1.00 0.00 C ATOM 1363 CD PRO A 89 -6.067 8.876 11.178 1.00 0.00 C ATOM 0 HA PRO A 89 -5.871 7.763 8.202 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -8.327 7.207 9.389 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -6.853 6.431 9.934 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -8.245 8.878 11.121 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.564 7.503 11.967 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -6.136 9.807 11.741 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -5.321 8.256 11.676 1.00 0.00 H new ATOM 1371 N GLU A 90 -7.737 10.384 8.266 1.00 0.00 N ATOM 1372 CA GLU A 90 -8.617 11.244 7.458 1.00 0.00 C ATOM 1373 C GLU A 90 -8.038 11.534 6.056 1.00 0.00 C ATOM 1374 O GLU A 90 -8.688 11.165 5.073 1.00 0.00 O ATOM 1375 CB GLU A 90 -8.983 12.528 8.225 1.00 0.00 C ATOM 1376 CG GLU A 90 -9.940 12.250 9.391 1.00 0.00 C ATOM 1377 CD GLU A 90 -10.286 13.547 10.150 1.00 0.00 C ATOM 1378 OE1 GLU A 90 -11.209 14.281 9.720 1.00 0.00 O ATOM 1379 OE2 GLU A 90 -9.643 13.837 11.188 1.00 0.00 O ATOM 0 H GLU A 90 -7.387 10.843 9.107 1.00 0.00 H new ATOM 0 HA GLU A 90 -9.542 10.694 7.283 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.074 12.994 8.606 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.444 13.240 7.540 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -10.854 11.792 9.013 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.485 11.535 10.076 1.00 0.00 H new ATOM 1386 N PRO A 91 -6.819 12.103 5.910 1.00 0.00 N ATOM 1387 CA PRO A 91 -6.198 12.354 4.601 1.00 0.00 C ATOM 1388 C PRO A 91 -5.785 11.095 3.821 1.00 0.00 C ATOM 1389 O PRO A 91 -5.269 11.216 2.712 1.00 0.00 O ATOM 1390 CB PRO A 91 -4.975 13.232 4.885 1.00 0.00 C ATOM 1391 CG PRO A 91 -4.603 12.899 6.325 1.00 0.00 C ATOM 1392 CD PRO A 91 -5.956 12.614 6.970 1.00 0.00 C ATOM 0 HA PRO A 91 -6.934 12.829 3.952 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.157 13.009 4.200 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -5.209 14.290 4.768 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -3.939 12.036 6.381 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -4.090 13.729 6.812 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.857 11.886 7.775 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -6.375 13.519 7.409 1.00 0.00 H new ATOM 1400 N VAL A 92 -6.009 9.900 4.375 1.00 0.00 N ATOM 1401 CA VAL A 92 -5.782 8.594 3.738 1.00 0.00 C ATOM 1402 C VAL A 92 -7.111 8.022 3.238 1.00 0.00 C ATOM 1403 O VAL A 92 -7.257 7.741 2.051 1.00 0.00 O ATOM 1404 CB VAL A 92 -5.068 7.631 4.712 1.00 0.00 C ATOM 1405 CG1 VAL A 92 -4.647 6.339 4.005 1.00 0.00 C ATOM 1406 CG2 VAL A 92 -3.802 8.229 5.342 1.00 0.00 C ATOM 0 H VAL A 92 -6.371 9.810 5.324 1.00 0.00 H new ATOM 0 HA VAL A 92 -5.127 8.722 2.876 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.800 7.436 5.496 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.147 5.681 4.716 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.529 5.838 3.606 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.965 6.577 3.189 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.351 7.500 6.015 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.091 8.486 4.557 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.064 9.126 5.903 1.00 0.00 H new ATOM 1416 N LYS A 93 -8.117 7.888 4.110 1.00 0.00 N ATOM 1417 CA LYS A 93 -9.432 7.335 3.747 1.00 0.00 C ATOM 1418 C LYS A 93 -10.214 8.234 2.782 1.00 0.00 C ATOM 1419 O LYS A 93 -10.780 7.748 1.805 1.00 0.00 O ATOM 1420 CB LYS A 93 -10.265 7.028 5.008 1.00 0.00 C ATOM 1421 CG LYS A 93 -11.072 5.727 4.819 1.00 0.00 C ATOM 1422 CD LYS A 93 -12.414 5.653 5.565 1.00 0.00 C ATOM 1423 CE LYS A 93 -12.300 5.571 7.090 1.00 0.00 C ATOM 1424 NZ LYS A 93 -12.192 6.895 7.754 1.00 0.00 N ATOM 0 H LYS A 93 -8.044 8.160 5.090 1.00 0.00 H new ATOM 0 HA LYS A 93 -9.240 6.403 3.216 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -9.607 6.932 5.871 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -10.943 7.857 5.214 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -11.263 5.592 3.754 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -10.453 4.889 5.140 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -13.006 6.531 5.306 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -12.964 4.782 5.209 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -13.172 5.048 7.483 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -11.426 4.973 7.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -12.204 6.768 8.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -11.302 7.353 7.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -12.994 7.492 7.470 1.00 0.00 H new ATOM 1438 N ALA A 94 -10.231 9.543 3.042 1.00 0.00 N ATOM 1439 CA ALA A 94 -11.035 10.527 2.310 1.00 0.00 C ATOM 1440 C ALA A 94 -10.490 10.886 0.914 1.00 0.00 C ATOM 1441 O ALA A 94 -11.133 11.643 0.182 1.00 0.00 O ATOM 1442 CB ALA A 94 -11.171 11.784 3.171 1.00 0.00 C ATOM 0 H ALA A 94 -9.672 9.960 3.786 1.00 0.00 H new ATOM 0 HA ALA A 94 -12.006 10.069 2.123 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -11.767 12.526 2.640 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -11.661 11.530 4.111 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -10.182 12.193 3.377 1.00 0.00 H new ATOM 1448 N ILE A 95 -9.332 10.336 0.521 1.00 0.00 N ATOM 1449 CA ILE A 95 -8.814 10.419 -0.856 1.00 0.00 C ATOM 1450 C ILE A 95 -9.874 9.926 -1.862 1.00 0.00 C ATOM 1451 O ILE A 95 -10.020 10.510 -2.940 1.00 0.00 O ATOM 1452 CB ILE A 95 -7.488 9.632 -1.013 1.00 0.00 C ATOM 1453 CG1 ILE A 95 -6.413 10.091 -0.005 1.00 0.00 C ATOM 1454 CG2 ILE A 95 -6.912 9.799 -2.431 1.00 0.00 C ATOM 1455 CD1 ILE A 95 -5.175 9.184 0.041 1.00 0.00 C ATOM 0 H ILE A 95 -8.723 9.817 1.153 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.597 11.465 -1.070 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.734 8.587 -0.822 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -6.100 11.104 -0.259 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.857 10.134 0.990 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -5.982 9.237 -2.514 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.629 9.424 -3.161 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.717 10.854 -2.622 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -4.466 9.573 0.772 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.474 8.175 0.326 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.705 9.160 -0.942 1.00 0.00 H new ATOM 1467 N CYS A 96 -10.662 8.909 -1.488 1.00 0.00 N ATOM 1468 CA CYS A 96 -11.789 8.404 -2.273 1.00 0.00 C ATOM 1469 C CYS A 96 -13.161 8.725 -1.647 1.00 0.00 C ATOM 1470 O CYS A 96 -13.283 8.962 -0.441 1.00 0.00 O ATOM 1471 CB CYS A 96 -11.596 6.900 -2.487 1.00 0.00 C ATOM 1472 SG CYS A 96 -11.599 5.850 -1.013 1.00 0.00 S ATOM 0 H CYS A 96 -10.528 8.405 -0.611 1.00 0.00 H new ATOM 0 HA CYS A 96 -11.797 8.918 -3.234 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -12.384 6.549 -3.154 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -10.649 6.751 -3.006 1.00 0.00 H new ATOM 1477 N LYS A 97 -14.207 8.704 -2.486 1.00 0.00 N ATOM 1478 CA LYS A 97 -15.618 8.942 -2.129 1.00 0.00 C ATOM 1479 C LYS A 97 -16.535 8.214 -3.119 1.00 0.00 C ATOM 1480 O LYS A 97 -16.622 8.593 -4.285 1.00 0.00 O ATOM 1481 CB LYS A 97 -15.893 10.462 -2.075 1.00 0.00 C ATOM 1482 CG LYS A 97 -17.153 10.862 -1.284 1.00 0.00 C ATOM 1483 CD LYS A 97 -18.491 10.549 -1.975 1.00 0.00 C ATOM 1484 CE LYS A 97 -19.646 11.183 -1.188 1.00 0.00 C ATOM 1485 NZ LYS A 97 -20.964 10.881 -1.808 1.00 0.00 N ATOM 0 H LYS A 97 -14.089 8.511 -3.481 1.00 0.00 H new ATOM 0 HA LYS A 97 -15.828 8.539 -1.138 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -15.030 10.958 -1.631 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -15.987 10.837 -3.094 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -17.133 10.353 -0.320 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -17.110 11.932 -1.081 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -18.482 10.932 -2.996 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -18.633 9.470 -2.040 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -19.633 10.814 -0.162 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -19.505 12.263 -1.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -21.720 11.325 -1.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -20.985 11.255 -2.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -21.109 9.851 -1.830 1.00 0.00 H new ATOM 1499 N GLY A 98 -17.173 7.133 -2.667 1.00 0.00 N ATOM 1500 CA GLY A 98 -18.101 6.319 -3.471 1.00 0.00 C ATOM 1501 C GLY A 98 -17.425 5.294 -4.393 1.00 0.00 C ATOM 1502 O GLY A 98 -18.107 4.635 -5.177 1.00 0.00 O ATOM 0 H GLY A 98 -17.060 6.788 -1.714 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.776 5.791 -2.797 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -18.713 6.985 -4.079 1.00 0.00 H new ATOM 1506 N ILE A 99 -16.096 5.147 -4.318 1.00 0.00 N ATOM 1507 CA ILE A 99 -15.307 4.243 -5.169 1.00 0.00 C ATOM 1508 C ILE A 99 -15.472 2.782 -4.723 1.00 0.00 C ATOM 1509 O ILE A 99 -15.045 2.392 -3.634 1.00 0.00 O ATOM 1510 CB ILE A 99 -13.824 4.680 -5.234 1.00 0.00 C ATOM 1511 CG1 ILE A 99 -13.730 6.106 -5.831 1.00 0.00 C ATOM 1512 CG2 ILE A 99 -13.022 3.670 -6.078 1.00 0.00 C ATOM 1513 CD1 ILE A 99 -12.309 6.652 -6.034 1.00 0.00 C ATOM 0 H ILE A 99 -15.525 5.664 -3.649 1.00 0.00 H new ATOM 0 HA ILE A 99 -15.694 4.309 -6.186 1.00 0.00 H new ATOM 0 HB ILE A 99 -13.399 4.699 -4.230 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -14.242 6.111 -6.793 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -14.272 6.790 -5.178 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -11.978 3.980 -6.122 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -13.088 2.682 -5.623 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -13.432 3.632 -7.087 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -12.362 7.655 -6.456 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -11.793 6.689 -5.075 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -11.763 6.000 -6.715 1.00 0.00 H new ATOM 1525 N ILE A 100 -16.076 1.972 -5.594 1.00 0.00 N ATOM 1526 CA ILE A 100 -16.219 0.503 -5.483 1.00 0.00 C ATOM 1527 C ILE A 100 -15.332 -0.218 -6.528 1.00 0.00 C ATOM 1528 O ILE A 100 -15.068 -1.414 -6.429 1.00 0.00 O ATOM 1529 CB ILE A 100 -17.718 0.093 -5.591 1.00 0.00 C ATOM 1530 CG1 ILE A 100 -18.646 1.075 -4.831 1.00 0.00 C ATOM 1531 CG2 ILE A 100 -17.937 -1.322 -5.030 1.00 0.00 C ATOM 1532 CD1 ILE A 100 -20.133 0.701 -4.775 1.00 0.00 C ATOM 0 H ILE A 100 -16.505 2.334 -6.446 1.00 0.00 H new ATOM 0 HA ILE A 100 -15.868 0.187 -4.501 1.00 0.00 H new ATOM 0 HB ILE A 100 -17.972 0.120 -6.651 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -18.279 1.171 -3.809 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -18.558 2.057 -5.295 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -18.991 -1.588 -5.115 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -17.336 -2.034 -5.595 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -17.640 -1.348 -3.982 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -20.679 1.463 -4.218 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -20.531 0.637 -5.788 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -20.247 -0.263 -4.279 1.00 0.00 H new ATOM 1544 N ALA A 101 -14.803 0.528 -7.504 1.00 0.00 N ATOM 1545 CA ALA A 101 -14.084 0.065 -8.698 1.00 0.00 C ATOM 1546 C ALA A 101 -12.651 -0.476 -8.465 1.00 0.00 C ATOM 1547 O ALA A 101 -11.952 -0.775 -9.436 1.00 0.00 O ATOM 1548 CB ALA A 101 -14.069 1.240 -9.691 1.00 0.00 C ATOM 0 H ALA A 101 -14.871 1.545 -7.479 1.00 0.00 H new ATOM 0 HA ALA A 101 -14.616 -0.807 -9.078 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -13.543 0.943 -10.598 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -15.093 1.519 -9.940 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -13.560 2.092 -9.239 1.00 0.00 H new ATOM 1554 N SER A 102 -12.194 -0.597 -7.211 1.00 0.00 N ATOM 1555 CA SER A 102 -10.810 -0.938 -6.831 1.00 0.00 C ATOM 1556 C SER A 102 -9.757 -0.044 -7.527 1.00 0.00 C ATOM 1557 O SER A 102 -8.953 -0.510 -8.342 1.00 0.00 O ATOM 1558 CB SER A 102 -10.561 -2.440 -7.031 1.00 0.00 C ATOM 1559 OG SER A 102 -9.324 -2.830 -6.456 1.00 0.00 O ATOM 0 H SER A 102 -12.798 -0.455 -6.401 1.00 0.00 H new ATOM 0 HA SER A 102 -10.689 -0.724 -5.769 1.00 0.00 H new ATOM 0 HB2 SER A 102 -11.372 -3.010 -6.579 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.561 -2.674 -8.096 1.00 0.00 H new ATOM 0 HG SER A 102 -9.187 -3.791 -6.594 1.00 0.00 H new ATOM 1565 N LYS A 103 -9.757 1.259 -7.202 1.00 0.00 N ATOM 1566 CA LYS A 103 -8.811 2.285 -7.699 1.00 0.00 C ATOM 1567 C LYS A 103 -8.685 3.447 -6.705 1.00 0.00 C ATOM 1568 O LYS A 103 -9.573 3.651 -5.886 1.00 0.00 O ATOM 1569 CB LYS A 103 -9.301 2.763 -9.081 1.00 0.00 C ATOM 1570 CG LYS A 103 -8.286 3.661 -9.810 1.00 0.00 C ATOM 1571 CD LYS A 103 -8.631 3.828 -11.296 1.00 0.00 C ATOM 1572 CE LYS A 103 -7.593 4.739 -11.966 1.00 0.00 C ATOM 1573 NZ LYS A 103 -7.843 4.877 -13.425 1.00 0.00 N ATOM 0 H LYS A 103 -10.445 1.649 -6.557 1.00 0.00 H new ATOM 0 HA LYS A 103 -7.813 1.857 -7.799 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -9.519 1.894 -9.702 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -10.236 3.309 -8.958 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -8.259 4.640 -9.332 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.288 3.232 -9.715 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -8.647 2.855 -11.788 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -9.628 4.256 -11.403 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -7.616 5.723 -11.498 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -6.594 4.333 -11.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -7.122 5.499 -13.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -7.796 3.941 -13.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -8.786 5.288 -13.578 1.00 0.00 H new ATOM 1587 N ASN A 104 -7.600 4.218 -6.740 1.00 0.00 N ATOM 1588 CA ASN A 104 -7.510 5.533 -6.098 1.00 0.00 C ATOM 1589 C ASN A 104 -6.708 6.535 -6.952 1.00 0.00 C ATOM 1590 O ASN A 104 -6.356 6.252 -8.100 1.00 0.00 O ATOM 1591 CB ASN A 104 -6.892 5.360 -4.698 1.00 0.00 C ATOM 1592 CG ASN A 104 -7.517 6.252 -3.639 1.00 0.00 C ATOM 1593 OD1 ASN A 104 -8.221 7.205 -3.923 1.00 0.00 O ATOM 1594 ND2 ASN A 104 -7.266 5.963 -2.385 1.00 0.00 N ATOM 0 H ASN A 104 -6.744 3.945 -7.222 1.00 0.00 H new ATOM 0 HA ASN A 104 -8.512 5.951 -6.002 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -6.996 4.319 -4.391 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -5.824 5.571 -4.754 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -7.661 6.537 -1.640 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -6.676 5.164 -2.154 1.00 0.00 H new ATOM 1601 N VAL A 105 -6.389 7.695 -6.373 1.00 0.00 N ATOM 1602 CA VAL A 105 -5.470 8.701 -6.920 1.00 0.00 C ATOM 1603 C VAL A 105 -4.374 8.979 -5.886 1.00 0.00 C ATOM 1604 O VAL A 105 -4.641 9.013 -4.685 1.00 0.00 O ATOM 1605 CB VAL A 105 -6.230 9.996 -7.295 1.00 0.00 C ATOM 1606 CG1 VAL A 105 -5.342 10.970 -8.082 1.00 0.00 C ATOM 1607 CG2 VAL A 105 -7.468 9.722 -8.164 1.00 0.00 C ATOM 0 H VAL A 105 -6.779 7.972 -5.472 1.00 0.00 H new ATOM 0 HA VAL A 105 -5.014 8.323 -7.835 1.00 0.00 H new ATOM 0 HB VAL A 105 -6.531 10.430 -6.342 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -5.912 11.866 -8.326 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.477 11.244 -7.477 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.005 10.493 -9.002 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -7.964 10.664 -8.398 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -7.162 9.233 -9.089 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -8.157 9.074 -7.622 1.00 0.00 H new ATOM 1617 N LEU A 106 -3.137 9.175 -6.342 1.00 0.00 N ATOM 1618 CA LEU A 106 -2.016 9.672 -5.536 1.00 0.00 C ATOM 1619 C LEU A 106 -2.387 10.965 -4.775 1.00 0.00 C ATOM 1620 O LEU A 106 -3.081 11.834 -5.312 1.00 0.00 O ATOM 1621 CB LEU A 106 -0.837 9.899 -6.507 1.00 0.00 C ATOM 1622 CG LEU A 106 0.445 10.494 -5.903 1.00 0.00 C ATOM 1623 CD1 LEU A 106 1.160 9.471 -5.032 1.00 0.00 C ATOM 1624 CD2 LEU A 106 1.360 10.939 -7.037 1.00 0.00 C ATOM 0 H LEU A 106 -2.877 8.988 -7.310 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.746 8.948 -4.767 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.586 8.944 -6.967 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -1.175 10.559 -7.306 1.00 0.00 H new ATOM 0 HG LEU A 106 0.183 11.346 -5.276 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.064 9.916 -4.616 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.502 9.161 -4.221 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.427 8.603 -5.635 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.274 11.363 -6.622 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.609 10.081 -7.661 1.00 0.00 H new ATOM 0 HD23 LEU A 106 0.852 11.691 -7.640 1.00 0.00 H new ATOM 1636 N THR A 107 -1.902 11.114 -3.538 1.00 0.00 N ATOM 1637 CA THR A 107 -2.077 12.346 -2.735 1.00 0.00 C ATOM 1638 C THR A 107 -1.398 13.585 -3.350 1.00 0.00 C ATOM 1639 O THR A 107 -0.631 13.499 -4.309 1.00 0.00 O ATOM 1640 CB THR A 107 -1.597 12.177 -1.275 1.00 0.00 C ATOM 1641 OG1 THR A 107 -0.902 10.978 -1.042 1.00 0.00 O ATOM 1642 CG2 THR A 107 -2.773 12.198 -0.301 1.00 0.00 C ATOM 0 H THR A 107 -1.374 10.386 -3.057 1.00 0.00 H new ATOM 0 HA THR A 107 -3.154 12.516 -2.739 1.00 0.00 H new ATOM 0 HB THR A 107 -0.922 13.018 -1.113 1.00 0.00 H new ATOM 0 HG1 THR A 107 -0.627 10.937 -0.102 1.00 0.00 H new ATOM 0 HG21 THR A 107 -2.404 12.077 0.718 1.00 0.00 H new ATOM 0 HG22 THR A 107 -3.299 13.149 -0.386 1.00 0.00 H new ATOM 0 HG23 THR A 107 -3.457 11.383 -0.538 1.00 0.00 H new ATOM 1650 N THR A 108 -1.650 14.760 -2.763 1.00 0.00 N ATOM 1651 CA THR A 108 -1.104 16.066 -3.198 1.00 0.00 C ATOM 1652 C THR A 108 -0.264 16.771 -2.118 1.00 0.00 C ATOM 1653 O THR A 108 0.661 17.524 -2.435 1.00 0.00 O ATOM 1654 CB THR A 108 -2.247 16.963 -3.722 1.00 0.00 C ATOM 1655 OG1 THR A 108 -1.753 18.141 -4.323 1.00 0.00 O ATOM 1656 CG2 THR A 108 -3.250 17.391 -2.645 1.00 0.00 C ATOM 0 H THR A 108 -2.257 14.839 -1.947 1.00 0.00 H new ATOM 0 HA THR A 108 -0.406 15.871 -4.012 1.00 0.00 H new ATOM 0 HB THR A 108 -2.761 16.334 -4.449 1.00 0.00 H new ATOM 0 HG1 THR A 108 -2.503 18.684 -4.644 1.00 0.00 H new ATOM 0 HG21 THR A 108 -4.020 18.018 -3.094 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.712 16.507 -2.206 1.00 0.00 H new ATOM 0 HG23 THR A 108 -2.732 17.953 -1.868 1.00 0.00 H new ATOM 1664 N SER A 109 -0.531 16.485 -0.839 1.00 0.00 N ATOM 1665 CA SER A 109 0.209 17.001 0.325 1.00 0.00 C ATOM 1666 C SER A 109 1.503 16.213 0.580 1.00 0.00 C ATOM 1667 O SER A 109 1.736 15.162 -0.016 1.00 0.00 O ATOM 1668 CB SER A 109 -0.685 16.939 1.572 1.00 0.00 C ATOM 1669 OG SER A 109 -1.899 17.649 1.370 1.00 0.00 O ATOM 0 H SER A 109 -1.296 15.865 -0.573 1.00 0.00 H new ATOM 0 HA SER A 109 0.486 18.033 0.111 1.00 0.00 H new ATOM 0 HB2 SER A 109 -0.905 15.899 1.814 1.00 0.00 H new ATOM 0 HB3 SER A 109 -0.153 17.359 2.425 1.00 0.00 H new ATOM 0 HG SER A 109 -2.450 17.592 2.179 1.00 0.00 H new ATOM 1675 N GLU A 110 2.348 16.700 1.491 1.00 0.00 N ATOM 1676 CA GLU A 110 3.634 16.085 1.846 1.00 0.00 C ATOM 1677 C GLU A 110 3.649 15.627 3.314 1.00 0.00 C ATOM 1678 O GLU A 110 3.632 16.445 4.236 1.00 0.00 O ATOM 1679 CB GLU A 110 4.803 17.031 1.519 1.00 0.00 C ATOM 1680 CG GLU A 110 4.735 17.577 0.084 1.00 0.00 C ATOM 1681 CD GLU A 110 6.051 18.260 -0.338 1.00 0.00 C ATOM 1682 OE1 GLU A 110 6.459 19.259 0.306 1.00 0.00 O ATOM 1683 OE2 GLU A 110 6.670 17.824 -1.338 1.00 0.00 O ATOM 0 H GLU A 110 2.155 17.553 2.016 1.00 0.00 H new ATOM 0 HA GLU A 110 3.763 15.190 1.237 1.00 0.00 H new ATOM 0 HB2 GLU A 110 4.799 17.864 2.222 1.00 0.00 H new ATOM 0 HB3 GLU A 110 5.745 16.501 1.658 1.00 0.00 H new ATOM 0 HG2 GLU A 110 4.513 16.761 -0.604 1.00 0.00 H new ATOM 0 HG3 GLU A 110 3.915 18.291 0.006 1.00 0.00 H new ATOM 1690 N PHE A 111 3.654 14.308 3.527 1.00 0.00 N ATOM 1691 CA PHE A 111 3.612 13.649 4.839 1.00 0.00 C ATOM 1692 C PHE A 111 4.990 13.065 5.174 1.00 0.00 C ATOM 1693 O PHE A 111 5.787 12.803 4.269 1.00 0.00 O ATOM 1694 CB PHE A 111 2.553 12.531 4.826 1.00 0.00 C ATOM 1695 CG PHE A 111 1.235 12.892 4.160 1.00 0.00 C ATOM 1696 CD1 PHE A 111 1.115 12.757 2.766 1.00 0.00 C ATOM 1697 CD2 PHE A 111 0.129 13.335 4.912 1.00 0.00 C ATOM 1698 CE1 PHE A 111 -0.089 13.068 2.121 1.00 0.00 C ATOM 1699 CE2 PHE A 111 -1.084 13.640 4.265 1.00 0.00 C ATOM 1700 CZ PHE A 111 -1.193 13.502 2.868 1.00 0.00 C ATOM 0 H PHE A 111 3.689 13.640 2.757 1.00 0.00 H new ATOM 0 HA PHE A 111 3.345 14.382 5.600 1.00 0.00 H new ATOM 0 HB2 PHE A 111 2.972 11.662 4.318 1.00 0.00 H new ATOM 0 HB3 PHE A 111 2.351 12.232 5.855 1.00 0.00 H new ATOM 0 HD1 PHE A 111 1.958 12.410 2.187 1.00 0.00 H new ATOM 0 HD2 PHE A 111 0.211 13.441 5.984 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -0.167 12.973 1.048 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.932 13.980 4.841 1.00 0.00 H new ATOM 0 HZ PHE A 111 -2.125 13.730 2.373 1.00 0.00 H new ATOM 1710 N TYR A 112 5.282 12.827 6.455 1.00 0.00 N ATOM 1711 CA TYR A 112 6.555 12.231 6.868 1.00 0.00 C ATOM 1712 C TYR A 112 6.622 10.753 6.456 1.00 0.00 C ATOM 1713 O TYR A 112 5.890 9.910 6.984 1.00 0.00 O ATOM 1714 CB TYR A 112 6.779 12.426 8.372 1.00 0.00 C ATOM 1715 CG TYR A 112 7.442 13.738 8.741 1.00 0.00 C ATOM 1716 CD1 TYR A 112 8.754 14.007 8.300 1.00 0.00 C ATOM 1717 CD2 TYR A 112 6.764 14.676 9.545 1.00 0.00 C ATOM 1718 CE1 TYR A 112 9.386 15.213 8.656 1.00 0.00 C ATOM 1719 CE2 TYR A 112 7.395 15.884 9.906 1.00 0.00 C ATOM 1720 CZ TYR A 112 8.710 16.156 9.462 1.00 0.00 C ATOM 1721 OH TYR A 112 9.332 17.316 9.809 1.00 0.00 O ATOM 0 H TYR A 112 4.651 13.039 7.228 1.00 0.00 H new ATOM 0 HA TYR A 112 7.367 12.743 6.353 1.00 0.00 H new ATOM 0 HB2 TYR A 112 5.817 12.363 8.881 1.00 0.00 H new ATOM 0 HB3 TYR A 112 7.392 11.606 8.745 1.00 0.00 H new ATOM 0 HD1 TYR A 112 9.275 13.286 7.688 1.00 0.00 H new ATOM 0 HD2 TYR A 112 5.760 14.469 9.885 1.00 0.00 H new ATOM 0 HE1 TYR A 112 10.389 15.418 8.313 1.00 0.00 H new ATOM 0 HE2 TYR A 112 6.874 16.602 10.522 1.00 0.00 H new ATOM 0 HH TYR A 112 8.731 17.856 10.364 1.00 0.00 H new ATOM 1731 N LEU A 113 7.491 10.453 5.489 1.00 0.00 N ATOM 1732 CA LEU A 113 7.725 9.118 4.937 1.00 0.00 C ATOM 1733 C LEU A 113 8.996 8.478 5.514 1.00 0.00 C ATOM 1734 O LEU A 113 10.092 9.042 5.460 1.00 0.00 O ATOM 1735 CB LEU A 113 7.757 9.190 3.398 1.00 0.00 C ATOM 1736 CG LEU A 113 6.523 8.573 2.719 1.00 0.00 C ATOM 1737 CD1 LEU A 113 6.435 7.066 2.925 1.00 0.00 C ATOM 1738 CD2 LEU A 113 5.206 9.224 3.141 1.00 0.00 C ATOM 0 H LEU A 113 8.076 11.165 5.051 1.00 0.00 H new ATOM 0 HA LEU A 113 6.900 8.469 5.231 1.00 0.00 H new ATOM 0 HB2 LEU A 113 7.843 10.233 3.095 1.00 0.00 H new ATOM 0 HB3 LEU A 113 8.650 8.679 3.039 1.00 0.00 H new ATOM 0 HG LEU A 113 6.668 8.775 1.658 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.546 6.682 2.425 1.00 0.00 H new ATOM 0 HD12 LEU A 113 7.321 6.589 2.506 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.375 6.847 3.991 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.378 8.739 2.623 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.075 9.115 4.218 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.225 10.283 2.883 1.00 0.00 H new ATOM 1750 N SER A 114 8.843 7.278 6.068 1.00 0.00 N ATOM 1751 CA SER A 114 9.874 6.548 6.807 1.00 0.00 C ATOM 1752 C SER A 114 9.986 5.109 6.304 1.00 0.00 C ATOM 1753 O SER A 114 9.275 4.210 6.748 1.00 0.00 O ATOM 1754 CB SER A 114 9.563 6.643 8.302 1.00 0.00 C ATOM 1755 OG SER A 114 10.475 5.887 9.086 1.00 0.00 O ATOM 0 H SER A 114 7.963 6.766 6.013 1.00 0.00 H new ATOM 0 HA SER A 114 10.854 6.995 6.639 1.00 0.00 H new ATOM 0 HB2 SER A 114 9.597 7.687 8.613 1.00 0.00 H new ATOM 0 HB3 SER A 114 8.548 6.289 8.484 1.00 0.00 H new ATOM 0 HG SER A 114 10.025 5.572 9.898 1.00 0.00 H new ATOM 1761 N ASP A 115 10.869 4.884 5.334 1.00 0.00 N ATOM 1762 CA ASP A 115 11.231 3.538 4.883 1.00 0.00 C ATOM 1763 C ASP A 115 12.350 2.926 5.745 1.00 0.00 C ATOM 1764 O ASP A 115 13.099 3.623 6.433 1.00 0.00 O ATOM 1765 CB ASP A 115 11.665 3.593 3.413 1.00 0.00 C ATOM 1766 CG ASP A 115 10.468 3.787 2.475 1.00 0.00 C ATOM 1767 OD1 ASP A 115 9.755 2.788 2.221 1.00 0.00 O ATOM 1768 OD2 ASP A 115 10.260 4.919 1.981 1.00 0.00 O ATOM 0 H ASP A 115 11.356 5.630 4.836 1.00 0.00 H new ATOM 0 HA ASP A 115 10.355 2.898 4.987 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.373 4.410 3.273 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.186 2.672 3.153 1.00 0.00 H new ATOM 1773 N CYS A 116 12.515 1.609 5.650 1.00 0.00 N ATOM 1774 CA CYS A 116 13.743 0.894 5.993 1.00 0.00 C ATOM 1775 C CYS A 116 13.869 -0.289 5.033 1.00 0.00 C ATOM 1776 O CYS A 116 12.859 -0.913 4.713 1.00 0.00 O ATOM 1777 CB CYS A 116 13.696 0.436 7.458 1.00 0.00 C ATOM 1778 SG CYS A 116 14.656 1.505 8.567 1.00 0.00 S ATOM 0 H CYS A 116 11.774 0.990 5.322 1.00 0.00 H new ATOM 0 HA CYS A 116 14.616 1.539 5.892 1.00 0.00 H new ATOM 0 HB2 CYS A 116 12.659 0.413 7.793 1.00 0.00 H new ATOM 0 HB3 CYS A 116 14.076 -0.583 7.526 1.00 0.00 H new ATOM 1783 N ASN A 117 15.080 -0.592 4.564 1.00 0.00 N ATOM 1784 CA ASN A 117 15.333 -1.623 3.548 1.00 0.00 C ATOM 1785 C ASN A 117 16.427 -2.576 4.034 1.00 0.00 C ATOM 1786 O ASN A 117 17.469 -2.120 4.508 1.00 0.00 O ATOM 1787 CB ASN A 117 15.717 -0.949 2.219 1.00 0.00 C ATOM 1788 CG ASN A 117 14.548 -0.246 1.552 1.00 0.00 C ATOM 1789 OD1 ASN A 117 13.768 -0.844 0.829 1.00 0.00 O ATOM 1790 ND2 ASN A 117 14.390 1.043 1.748 1.00 0.00 N ATOM 0 H ASN A 117 15.928 -0.123 4.882 1.00 0.00 H new ATOM 0 HA ASN A 117 14.431 -2.212 3.382 1.00 0.00 H new ATOM 0 HB2 ASN A 117 16.513 -0.227 2.401 1.00 0.00 H new ATOM 0 HB3 ASN A 117 16.118 -1.701 1.539 1.00 0.00 H new ATOM 0 HD21 ASN A 117 13.620 1.537 1.297 1.00 0.00 H new ATOM 0 HD22 ASN A 117 15.038 1.550 2.351 1.00 0.00 H new ATOM 1797 N VAL A 118 16.178 -3.886 3.977 1.00 0.00 N ATOM 1798 CA VAL A 118 17.085 -4.919 4.511 1.00 0.00 C ATOM 1799 C VAL A 118 18.482 -4.872 3.868 1.00 0.00 C ATOM 1800 O VAL A 118 18.624 -4.561 2.682 1.00 0.00 O ATOM 1801 CB VAL A 118 16.437 -6.316 4.404 1.00 0.00 C ATOM 1802 CG1 VAL A 118 16.185 -6.750 2.955 1.00 0.00 C ATOM 1803 CG2 VAL A 118 17.232 -7.418 5.113 1.00 0.00 C ATOM 0 H VAL A 118 15.332 -4.270 3.555 1.00 0.00 H new ATOM 0 HA VAL A 118 17.243 -4.703 5.568 1.00 0.00 H new ATOM 0 HB VAL A 118 15.481 -6.196 4.914 1.00 0.00 H new ATOM 0 HG11 VAL A 118 15.728 -7.740 2.946 1.00 0.00 H new ATOM 0 HG12 VAL A 118 15.516 -6.037 2.473 1.00 0.00 H new ATOM 0 HG13 VAL A 118 17.131 -6.782 2.415 1.00 0.00 H new ATOM 0 HG21 VAL A 118 16.717 -8.371 4.996 1.00 0.00 H new ATOM 0 HG22 VAL A 118 18.228 -7.487 4.675 1.00 0.00 H new ATOM 0 HG23 VAL A 118 17.318 -7.180 6.173 1.00 0.00 H new ATOM 1813 N THR A 119 19.520 -5.205 4.642 1.00 0.00 N ATOM 1814 CA THR A 119 20.912 -5.319 4.165 1.00 0.00 C ATOM 1815 C THR A 119 21.604 -6.573 4.716 1.00 0.00 C ATOM 1816 O THR A 119 22.392 -6.542 5.666 1.00 0.00 O ATOM 1817 CB THR A 119 21.681 -3.996 4.340 1.00 0.00 C ATOM 1818 OG1 THR A 119 22.986 -4.103 3.808 1.00 0.00 O ATOM 1819 CG2 THR A 119 21.765 -3.451 5.767 1.00 0.00 C ATOM 0 H THR A 119 19.420 -5.408 5.637 1.00 0.00 H new ATOM 0 HA THR A 119 20.902 -5.480 3.087 1.00 0.00 H new ATOM 0 HB THR A 119 21.082 -3.273 3.786 1.00 0.00 H new ATOM 0 HG1 THR A 119 23.458 -3.253 3.927 1.00 0.00 H new ATOM 0 HG21 THR A 119 22.328 -2.518 5.768 1.00 0.00 H new ATOM 0 HG22 THR A 119 20.760 -3.268 6.146 1.00 0.00 H new ATOM 0 HG23 THR A 119 22.267 -4.178 6.405 1.00 0.00 H new ATOM 1827 N SER A 120 21.264 -7.711 4.098 1.00 0.00 N ATOM 1828 CA SER A 120 21.788 -9.069 4.362 1.00 0.00 C ATOM 1829 C SER A 120 22.538 -9.657 3.162 1.00 0.00 C ATOM 1830 O SER A 120 22.163 -9.371 2.002 1.00 0.00 O ATOM 1831 CB SER A 120 20.660 -10.019 4.763 1.00 0.00 C ATOM 1832 OG SER A 120 20.118 -9.603 6.003 1.00 0.00 O ATOM 1833 OXT SER A 120 23.504 -10.420 3.379 1.00 0.00 O ATOM 0 H SER A 120 20.570 -7.714 3.350 1.00 0.00 H new ATOM 0 HA SER A 120 22.497 -8.966 5.184 1.00 0.00 H new ATOM 0 HB2 SER A 120 19.884 -10.025 3.997 1.00 0.00 H new ATOM 0 HB3 SER A 120 21.038 -11.038 4.842 1.00 0.00 H new ATOM 0 HG SER A 120 19.393 -10.209 6.263 1.00 0.00 H new