USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 729 hydrogens (14 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 NoAdj-H: A 33 ALY H2 : A 33 ALY N : A 32 PHE C :(H bumps) USER MOD NoAdj-H: A 33 ALY H : A 33 ALY N : A 32 PHE C :(H bumps) USER MOD Set 1.1: A 54 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 57 GLN : amide:sc= -2.65! C(o=-2.7!,f=-3.9!) USER MOD Set 2.1: A 48 CYS SG : rot -14:sc= 0.298 USER MOD Set 2.2: A 55 MET CE :methyl -109:sc= -2.1 (180deg=-3.59!) USER MOD Set 3.1: A 28 SER OG : rot -139:sc= 1.17 USER MOD Set 3.2: A 51 GLN : amide:sc= 0.00647 K(o=1.2,f=-3.8!) USER MOD Set 4.1: A 25 GLN :FLIP amide:sc= -2.98! C(o=-6.6!,f=-4.7!) USER MOD Set 4.2: A 88 GLN :FLIP amide:sc= -1.75 F(o=-6.6!,f=-4.7) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 1.27 (180deg=1.25) USER MOD Single : A 5 LYS NZ :NH3+ 168:sc=-0.00622 (180deg=-0.122) USER MOD Single : A 7 LYS NZ :NH3+ -146:sc= 1.26 (180deg=1.02) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.141 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= 0.581 K(o=0.58,f=-0.29) USER MOD Single : A 17 HIS : no HD1:sc= 0.479 K(o=0.48,f=-4.7!) USER MOD Single : A 19 ASN : amide:sc= -1.53! C(o=-1.5!,f=-6.7!) USER MOD Single : A 21 LYS NZ :NH3+ -166:sc= 0.25 (180deg=0.176) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.14 F(o=-0.87,f=-0.14) USER MOD Single : A 35 LYS NZ :NH3+ 155:sc= 0.281 (180deg=-0.949) USER MOD Single : A 37 HIS : no HD1:sc= -0.239 X(o=-0.24,f=-0.0096) USER MOD Single : A 38 THR OG1 : rot -170:sc= -1.83! USER MOD Single : A 41 SER OG : rot 41:sc= -1.43! USER MOD Single : A 42 LYS NZ :NH3+ 162:sc= -0.068 (180deg=-0.412) USER MOD Single : A 44 MET CE :methyl 168:sc= -1.48 (180deg=-1.91!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0769 USER MOD Single : A 65 GLN :FLIP amide:sc= -0.605 F(o=-1.8!,f=-0.6) USER MOD Single : A 68 ASN : amide:sc= 0.975 K(o=0.97,f=-0.31) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0675 USER MOD Single : A 72 THR OG1 : rot 133:sc= -2.35! USER MOD Single : A 75 GLN : amide:sc= -0.538 X(o=-0.54,f=-0.34) USER MOD Single : A 78 MET CE :methyl -167:sc= -1.44 (180deg=-1.78) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -2.06! C(o=-2.1!,f=-6.7!) USER MOD Single : A 90 GLN : amide:sc= -1.1 X(o=-1.1,f=-1.5!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.931 7.598 21.877 1.00 0.00 N ATOM 2 CA MET A 1 21.706 8.716 22.461 1.00 0.00 C ATOM 3 C MET A 1 21.317 10.028 21.796 1.00 0.00 C ATOM 4 O MET A 1 20.581 10.834 22.366 1.00 0.00 O ATOM 5 CB MET A 1 23.211 8.462 22.297 1.00 0.00 C ATOM 6 CG MET A 1 24.090 9.572 22.847 1.00 0.00 C ATOM 7 SD MET A 1 25.848 9.192 22.713 1.00 0.00 S ATOM 8 CE MET A 1 26.567 10.629 23.506 1.00 0.00 C ATOM 0 H1 MET A 1 21.076 6.740 22.447 1.00 0.00 H new ATOM 0 H2 MET A 1 19.920 7.842 21.871 1.00 0.00 H new ATOM 0 H3 MET A 1 21.251 7.425 20.903 1.00 0.00 H new ATOM 0 HA MET A 1 21.478 8.782 23.525 1.00 0.00 H new ATOM 0 HB2 MET A 1 23.468 7.528 22.797 1.00 0.00 H new ATOM 0 HB3 MET A 1 23.433 8.328 21.238 1.00 0.00 H new ATOM 0 HG2 MET A 1 23.880 10.497 22.310 1.00 0.00 H new ATOM 0 HG3 MET A 1 23.838 9.746 23.893 1.00 0.00 H new ATOM 0 HE1 MET A 1 27.653 10.541 23.502 1.00 0.00 H new ATOM 0 HE2 MET A 1 26.273 11.528 22.965 1.00 0.00 H new ATOM 0 HE3 MET A 1 26.212 10.692 24.535 1.00 0.00 H new ATOM 18 N ALA A 2 21.799 10.243 20.587 1.00 0.00 N ATOM 19 CA ALA A 2 21.441 11.419 19.821 1.00 0.00 C ATOM 20 C ALA A 2 20.292 11.061 18.900 1.00 0.00 C ATOM 21 O ALA A 2 20.435 11.002 17.676 1.00 0.00 O ATOM 22 CB ALA A 2 22.638 11.929 19.027 1.00 0.00 C ATOM 0 H ALA A 2 22.445 9.612 20.112 1.00 0.00 H new ATOM 0 HA ALA A 2 21.133 12.219 20.494 1.00 0.00 H new ATOM 0 HB1 ALA A 2 22.348 12.813 18.459 1.00 0.00 H new ATOM 0 HB2 ALA A 2 23.446 12.187 19.712 1.00 0.00 H new ATOM 0 HB3 ALA A 2 22.978 11.152 18.342 1.00 0.00 H new ATOM 28 N ASP A 3 19.154 10.775 19.504 1.00 0.00 N ATOM 29 CA ASP A 3 17.980 10.325 18.777 1.00 0.00 C ATOM 30 C ASP A 3 17.196 11.495 18.236 1.00 0.00 C ATOM 31 O ASP A 3 16.679 11.449 17.126 1.00 0.00 O ATOM 32 CB ASP A 3 17.072 9.499 19.696 1.00 0.00 C ATOM 33 CG ASP A 3 17.775 8.325 20.341 1.00 0.00 C ATOM 34 OD1 ASP A 3 18.432 8.518 21.389 1.00 0.00 O ATOM 35 OD2 ASP A 3 17.659 7.196 19.822 1.00 0.00 O ATOM 0 H ASP A 3 19.017 10.848 20.512 1.00 0.00 H new ATOM 0 HA ASP A 3 18.321 9.711 17.944 1.00 0.00 H new ATOM 0 HB2 ASP A 3 16.672 10.147 20.476 1.00 0.00 H new ATOM 0 HB3 ASP A 3 16.222 9.132 19.120 1.00 0.00 H new ATOM 40 N GLU A 4 17.110 12.550 19.015 1.00 0.00 N ATOM 41 CA GLU A 4 16.328 13.707 18.639 1.00 0.00 C ATOM 42 C GLU A 4 17.163 14.714 17.857 1.00 0.00 C ATOM 43 O GLU A 4 18.022 15.404 18.421 1.00 0.00 O ATOM 44 CB GLU A 4 15.737 14.370 19.882 1.00 0.00 C ATOM 45 CG GLU A 4 14.802 15.527 19.580 1.00 0.00 C ATOM 46 CD GLU A 4 14.374 16.253 20.827 1.00 0.00 C ATOM 47 OE1 GLU A 4 13.450 15.776 21.514 1.00 0.00 O ATOM 48 OE2 GLU A 4 14.970 17.303 21.139 1.00 0.00 O ATOM 0 H GLU A 4 17.575 12.631 19.919 1.00 0.00 H new ATOM 0 HA GLU A 4 15.519 13.367 17.993 1.00 0.00 H new ATOM 0 HB2 GLU A 4 15.196 13.620 20.458 1.00 0.00 H new ATOM 0 HB3 GLU A 4 16.551 14.729 20.511 1.00 0.00 H new ATOM 0 HG2 GLU A 4 15.298 16.226 18.907 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.921 15.153 19.059 1.00 0.00 H new ATOM 55 N LYS A 5 16.935 14.783 16.553 1.00 0.00 N ATOM 56 CA LYS A 5 17.617 15.745 15.709 1.00 0.00 C ATOM 57 C LYS A 5 17.193 17.166 16.092 1.00 0.00 C ATOM 58 O LYS A 5 16.068 17.378 16.559 1.00 0.00 O ATOM 59 CB LYS A 5 17.313 15.485 14.222 1.00 0.00 C ATOM 60 CG LYS A 5 15.855 15.714 13.826 1.00 0.00 C ATOM 61 CD LYS A 5 15.663 15.657 12.310 1.00 0.00 C ATOM 62 CE LYS A 5 15.883 14.252 11.755 1.00 0.00 C ATOM 63 NZ LYS A 5 14.839 13.301 12.217 1.00 0.00 N ATOM 0 H LYS A 5 16.279 14.179 16.058 1.00 0.00 H new ATOM 0 HA LYS A 5 18.691 15.636 15.861 1.00 0.00 H new ATOM 0 HB2 LYS A 5 17.947 16.132 13.616 1.00 0.00 H new ATOM 0 HB3 LYS A 5 17.585 14.457 13.983 1.00 0.00 H new ATOM 0 HG2 LYS A 5 15.227 14.960 14.301 1.00 0.00 H new ATOM 0 HG3 LYS A 5 15.525 16.684 14.198 1.00 0.00 H new ATOM 0 HD2 LYS A 5 14.656 15.991 12.060 1.00 0.00 H new ATOM 0 HD3 LYS A 5 16.357 16.348 11.831 1.00 0.00 H new ATOM 0 HE2 LYS A 5 15.884 14.289 10.666 1.00 0.00 H new ATOM 0 HE3 LYS A 5 16.864 13.890 12.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 14.902 12.421 11.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 14.984 13.089 13.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 13.899 13.726 12.084 1.00 0.00 H new ATOM 77 N PRO A 6 18.099 18.147 15.934 1.00 0.00 N ATOM 78 CA PRO A 6 17.806 19.546 16.246 1.00 0.00 C ATOM 79 C PRO A 6 16.651 20.122 15.429 1.00 0.00 C ATOM 80 O PRO A 6 15.989 19.431 14.656 1.00 0.00 O ATOM 81 CB PRO A 6 19.090 20.306 15.899 1.00 0.00 C ATOM 82 CG PRO A 6 20.007 19.329 15.235 1.00 0.00 C ATOM 83 CD PRO A 6 19.480 17.943 15.489 1.00 0.00 C ATOM 0 HA PRO A 6 17.504 19.635 17.289 1.00 0.00 H new ATOM 0 HB2 PRO A 6 18.875 21.145 15.237 1.00 0.00 H new ATOM 0 HB3 PRO A 6 19.550 20.718 16.797 1.00 0.00 H new ATOM 0 HG2 PRO A 6 20.061 19.525 14.164 1.00 0.00 H new ATOM 0 HG3 PRO A 6 21.019 19.429 15.628 1.00 0.00 H new ATOM 0 HD2 PRO A 6 19.519 17.333 14.587 1.00 0.00 H new ATOM 0 HD3 PRO A 6 20.069 17.428 16.248 1.00 0.00 H new ATOM 91 N LYS A 7 16.453 21.411 15.575 1.00 0.00 N ATOM 92 CA LYS A 7 15.382 22.114 14.894 1.00 0.00 C ATOM 93 C LYS A 7 15.858 22.645 13.540 1.00 0.00 C ATOM 94 O LYS A 7 15.234 23.527 12.942 1.00 0.00 O ATOM 95 CB LYS A 7 14.850 23.268 15.770 1.00 0.00 C ATOM 96 CG LYS A 7 15.804 24.456 15.962 1.00 0.00 C ATOM 97 CD LYS A 7 16.995 24.135 16.846 1.00 0.00 C ATOM 98 CE LYS A 7 17.678 25.410 17.334 1.00 0.00 C ATOM 99 NZ LYS A 7 17.867 26.401 16.242 1.00 0.00 N ATOM 0 H LYS A 7 17.029 22.006 16.170 1.00 0.00 H new ATOM 0 HA LYS A 7 14.569 21.410 14.718 1.00 0.00 H new ATOM 0 HB2 LYS A 7 13.924 23.637 15.328 1.00 0.00 H new ATOM 0 HB3 LYS A 7 14.597 22.867 16.752 1.00 0.00 H new ATOM 0 HG2 LYS A 7 16.163 24.786 14.987 1.00 0.00 H new ATOM 0 HG3 LYS A 7 15.252 25.289 16.397 1.00 0.00 H new ATOM 0 HD2 LYS A 7 16.668 23.544 17.701 1.00 0.00 H new ATOM 0 HD3 LYS A 7 17.709 23.526 16.292 1.00 0.00 H new ATOM 0 HE2 LYS A 7 17.082 25.858 18.129 1.00 0.00 H new ATOM 0 HE3 LYS A 7 18.647 25.158 17.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 18.751 26.925 16.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 17.915 25.906 15.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 17.067 27.066 16.234 1.00 0.00 H new ATOM 113 N GLU A 8 16.956 22.100 13.043 1.00 0.00 N ATOM 114 CA GLU A 8 17.521 22.540 11.777 1.00 0.00 C ATOM 115 C GLU A 8 17.096 21.631 10.649 1.00 0.00 C ATOM 116 O GLU A 8 17.823 20.712 10.264 1.00 0.00 O ATOM 117 CB GLU A 8 19.033 22.555 11.837 1.00 0.00 C ATOM 118 CG GLU A 8 19.599 23.234 13.063 1.00 0.00 C ATOM 119 CD GLU A 8 19.281 24.702 13.115 1.00 0.00 C ATOM 120 OE1 GLU A 8 19.805 25.456 12.280 1.00 0.00 O ATOM 121 OE2 GLU A 8 18.511 25.114 14.002 1.00 0.00 O ATOM 0 H GLU A 8 17.476 21.350 13.498 1.00 0.00 H new ATOM 0 HA GLU A 8 17.150 23.548 11.593 1.00 0.00 H new ATOM 0 HB2 GLU A 8 19.397 21.528 11.804 1.00 0.00 H new ATOM 0 HB3 GLU A 8 19.415 23.057 10.948 1.00 0.00 H new ATOM 0 HG2 GLU A 8 19.204 22.750 13.956 1.00 0.00 H new ATOM 0 HG3 GLU A 8 20.681 23.100 13.080 1.00 0.00 H new ATOM 128 N GLY A 9 15.914 21.839 10.146 1.00 0.00 N ATOM 129 CA GLY A 9 15.441 21.056 9.034 1.00 0.00 C ATOM 130 C GLY A 9 14.014 21.392 8.702 1.00 0.00 C ATOM 131 O GLY A 9 13.085 20.720 9.154 1.00 0.00 O ATOM 0 H GLY A 9 15.258 22.543 10.485 1.00 0.00 H new ATOM 0 HA2 GLY A 9 16.072 21.237 8.164 1.00 0.00 H new ATOM 0 HA3 GLY A 9 15.522 19.995 9.272 1.00 0.00 H new ATOM 135 N VAL A 10 13.821 22.443 7.914 1.00 0.00 N ATOM 136 CA VAL A 10 12.472 22.896 7.543 1.00 0.00 C ATOM 137 C VAL A 10 11.840 22.005 6.446 1.00 0.00 C ATOM 138 O VAL A 10 11.320 22.461 5.422 1.00 0.00 O ATOM 139 CB VAL A 10 12.462 24.380 7.128 1.00 0.00 C ATOM 140 CG1 VAL A 10 13.262 24.606 5.853 1.00 0.00 C ATOM 141 CG2 VAL A 10 11.031 24.891 6.998 1.00 0.00 C ATOM 0 H VAL A 10 14.576 23.002 7.516 1.00 0.00 H new ATOM 0 HA VAL A 10 11.854 22.798 8.435 1.00 0.00 H new ATOM 0 HB VAL A 10 12.950 24.956 7.914 1.00 0.00 H new ATOM 0 HG11 VAL A 10 13.234 25.663 5.589 1.00 0.00 H new ATOM 0 HG12 VAL A 10 14.296 24.299 6.013 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.830 24.018 5.043 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.045 25.941 6.704 1.00 0.00 H new ATOM 0 HG22 VAL A 10 10.504 24.309 6.241 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.520 24.789 7.955 1.00 0.00 H new ATOM 151 N LYS A 11 11.891 20.747 6.682 1.00 0.00 N ATOM 152 CA LYS A 11 11.302 19.762 5.821 1.00 0.00 C ATOM 153 C LYS A 11 10.435 18.875 6.674 1.00 0.00 C ATOM 154 O LYS A 11 10.945 18.088 7.472 1.00 0.00 O ATOM 155 CB LYS A 11 12.407 18.942 5.125 1.00 0.00 C ATOM 156 CG LYS A 11 11.922 17.688 4.397 1.00 0.00 C ATOM 157 CD LYS A 11 10.958 18.011 3.267 1.00 0.00 C ATOM 158 CE LYS A 11 10.536 16.746 2.538 1.00 0.00 C ATOM 159 NZ LYS A 11 9.540 17.018 1.474 1.00 0.00 N ATOM 0 H LYS A 11 12.354 20.351 7.500 1.00 0.00 H new ATOM 0 HA LYS A 11 10.703 20.235 5.043 1.00 0.00 H new ATOM 0 HB2 LYS A 11 12.918 19.585 4.408 1.00 0.00 H new ATOM 0 HB3 LYS A 11 13.145 18.648 5.872 1.00 0.00 H new ATOM 0 HG2 LYS A 11 12.780 17.149 3.996 1.00 0.00 H new ATOM 0 HG3 LYS A 11 11.433 17.024 5.109 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.079 18.516 3.667 1.00 0.00 H new ATOM 0 HD3 LYS A 11 11.430 18.699 2.566 1.00 0.00 H new ATOM 0 HE2 LYS A 11 11.414 16.272 2.099 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.116 16.039 3.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.282 16.127 1.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.691 17.446 1.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.948 17.672 0.776 1.00 0.00 H new ATOM 173 N THR A 12 9.126 18.995 6.562 1.00 0.00 N ATOM 174 CA THR A 12 8.257 18.216 7.383 1.00 0.00 C ATOM 175 C THR A 12 7.461 17.247 6.524 1.00 0.00 C ATOM 176 O THR A 12 6.991 17.602 5.448 1.00 0.00 O ATOM 177 CB THR A 12 7.279 19.108 8.193 1.00 0.00 C ATOM 178 OG1 THR A 12 6.337 18.291 8.905 1.00 0.00 O ATOM 179 CG2 THR A 12 6.525 20.065 7.279 1.00 0.00 C ATOM 0 H THR A 12 8.656 19.624 5.911 1.00 0.00 H new ATOM 0 HA THR A 12 8.879 17.665 8.089 1.00 0.00 H new ATOM 0 HB THR A 12 7.868 19.691 8.901 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.726 18.864 9.414 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.847 20.678 7.873 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.236 20.709 6.761 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.952 19.494 6.548 1.00 0.00 H new ATOM 187 N GLU A 13 7.336 16.028 6.981 1.00 0.00 N ATOM 188 CA GLU A 13 6.577 15.003 6.267 1.00 0.00 C ATOM 189 C GLU A 13 5.072 15.293 6.284 1.00 0.00 C ATOM 190 O GLU A 13 4.289 14.648 5.585 1.00 0.00 O ATOM 191 CB GLU A 13 6.861 13.634 6.879 1.00 0.00 C ATOM 192 CG GLU A 13 8.306 13.187 6.743 1.00 0.00 C ATOM 193 CD GLU A 13 8.673 12.839 5.321 1.00 0.00 C ATOM 194 OE1 GLU A 13 8.992 13.759 4.536 1.00 0.00 O ATOM 195 OE2 GLU A 13 8.655 11.641 4.978 1.00 0.00 O ATOM 0 H GLU A 13 7.752 15.706 7.855 1.00 0.00 H new ATOM 0 HA GLU A 13 6.897 15.011 5.225 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.596 13.657 7.936 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.216 12.894 6.405 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.963 13.980 7.101 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.476 12.320 7.381 1.00 0.00 H new ATOM 202 N ASN A 14 4.665 16.276 7.059 1.00 0.00 N ATOM 203 CA ASN A 14 3.256 16.602 7.194 1.00 0.00 C ATOM 204 C ASN A 14 2.808 17.652 6.184 1.00 0.00 C ATOM 205 O ASN A 14 2.431 18.761 6.553 1.00 0.00 O ATOM 206 CB ASN A 14 2.951 17.076 8.619 1.00 0.00 C ATOM 207 CG ASN A 14 3.078 15.966 9.643 1.00 0.00 C ATOM 208 OD1 ASN A 14 2.099 15.288 9.967 1.00 0.00 O ATOM 209 ND2 ASN A 14 4.280 15.756 10.143 1.00 0.00 N ATOM 0 H ASN A 14 5.290 16.866 7.608 1.00 0.00 H new ATOM 0 HA ASN A 14 2.694 15.691 6.989 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.631 17.887 8.881 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.941 17.483 8.654 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.426 15.011 10.824 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.064 16.339 9.849 1.00 0.00 H new ATOM 216 N ASN A 15 2.861 17.314 4.897 1.00 0.00 N ATOM 217 CA ASN A 15 2.396 18.235 3.852 1.00 0.00 C ATOM 218 C ASN A 15 2.099 17.485 2.557 1.00 0.00 C ATOM 219 O ASN A 15 2.821 16.549 2.198 1.00 0.00 O ATOM 220 CB ASN A 15 3.445 19.338 3.575 1.00 0.00 C ATOM 221 CG ASN A 15 4.584 18.872 2.673 1.00 0.00 C ATOM 222 OD1 ASN A 15 4.532 19.024 1.448 1.00 0.00 O ATOM 223 ND2 ASN A 15 5.612 18.303 3.263 1.00 0.00 N ATOM 0 H ASN A 15 3.216 16.422 4.552 1.00 0.00 H new ATOM 0 HA ASN A 15 1.479 18.700 4.214 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.951 20.193 3.113 1.00 0.00 H new ATOM 0 HB3 ASN A 15 3.859 19.683 4.523 1.00 0.00 H new ATOM 0 HD21 ASN A 15 6.400 17.971 2.707 1.00 0.00 H new ATOM 0 HD22 ASN A 15 5.622 18.194 4.277 1.00 0.00 H new ATOM 230 N ASP A 16 0.992 17.850 1.889 1.00 0.00 N ATOM 231 CA ASP A 16 0.665 17.321 0.550 1.00 0.00 C ATOM 232 C ASP A 16 0.491 15.796 0.585 1.00 0.00 C ATOM 233 O ASP A 16 0.794 15.094 -0.373 1.00 0.00 O ATOM 234 CB ASP A 16 1.786 17.738 -0.436 1.00 0.00 C ATOM 235 CG ASP A 16 1.531 17.363 -1.888 1.00 0.00 C ATOM 236 OD1 ASP A 16 0.731 18.056 -2.555 1.00 0.00 O ATOM 237 OD2 ASP A 16 2.169 16.400 -2.378 1.00 0.00 O ATOM 0 H ASP A 16 0.306 18.511 2.254 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.284 17.739 0.215 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.923 18.818 -0.373 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.721 17.279 -0.116 1.00 0.00 H new ATOM 242 N HIS A 17 -0.053 15.277 1.673 1.00 0.00 N ATOM 243 CA HIS A 17 -0.168 13.837 1.810 1.00 0.00 C ATOM 244 C HIS A 17 -1.605 13.382 2.018 1.00 0.00 C ATOM 245 O HIS A 17 -2.436 14.103 2.573 1.00 0.00 O ATOM 246 CB HIS A 17 0.745 13.307 2.932 1.00 0.00 C ATOM 247 CG HIS A 17 0.312 13.668 4.318 1.00 0.00 C ATOM 248 ND1 HIS A 17 0.796 14.759 5.000 1.00 0.00 N ATOM 249 CD2 HIS A 17 -0.559 13.061 5.157 1.00 0.00 C ATOM 250 CE1 HIS A 17 0.247 14.807 6.196 1.00 0.00 C ATOM 251 NE2 HIS A 17 -0.578 13.790 6.315 1.00 0.00 N ATOM 0 H HIS A 17 -0.415 15.818 2.458 1.00 0.00 H new ATOM 0 HA HIS A 17 0.166 13.409 0.865 1.00 0.00 H new ATOM 0 HB2 HIS A 17 0.799 12.221 2.855 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.753 13.688 2.771 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -1.132 12.169 4.951 1.00 0.00 H new ATOM 0 HE1 HIS A 17 0.441 15.555 6.951 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -1.142 13.578 7.138 1.00 0.00 H new ATOM 260 N ILE A 18 -1.875 12.168 1.575 1.00 0.00 N ATOM 261 CA ILE A 18 -3.183 11.548 1.692 1.00 0.00 C ATOM 262 C ILE A 18 -3.038 10.122 2.215 1.00 0.00 C ATOM 263 O ILE A 18 -1.926 9.595 2.320 1.00 0.00 O ATOM 264 CB ILE A 18 -3.931 11.504 0.332 1.00 0.00 C ATOM 265 CG1 ILE A 18 -3.077 10.789 -0.727 1.00 0.00 C ATOM 266 CG2 ILE A 18 -4.304 12.909 -0.132 1.00 0.00 C ATOM 267 CD1 ILE A 18 -3.830 10.445 -1.998 1.00 0.00 C ATOM 0 H ILE A 18 -1.182 11.576 1.117 1.00 0.00 H new ATOM 0 HA ILE A 18 -3.765 12.154 2.386 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.854 10.941 0.469 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.227 11.422 -0.981 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.675 9.872 -0.296 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.827 12.850 -1.087 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -4.953 13.377 0.609 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.399 13.505 -0.250 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.158 9.943 -2.694 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.664 9.785 -1.759 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.209 11.359 -2.455 1.00 0.00 H new ATOM 279 N ASN A 19 -4.153 9.502 2.550 1.00 0.00 N ATOM 280 CA ASN A 19 -4.159 8.120 3.026 1.00 0.00 C ATOM 281 C ASN A 19 -4.485 7.183 1.886 1.00 0.00 C ATOM 282 O ASN A 19 -5.348 7.467 1.074 1.00 0.00 O ATOM 283 CB ASN A 19 -5.232 7.924 4.109 1.00 0.00 C ATOM 284 CG ASN A 19 -4.963 8.643 5.405 1.00 0.00 C ATOM 285 OD1 ASN A 19 -5.177 9.851 5.516 1.00 0.00 O ATOM 286 ND2 ASN A 19 -4.544 7.899 6.408 1.00 0.00 N ATOM 0 H ASN A 19 -5.077 9.932 2.503 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.171 7.905 3.434 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -6.191 8.261 3.715 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.329 6.858 4.315 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.384 8.320 7.323 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.380 6.902 6.270 1.00 0.00 H new ATOM 293 N LEU A 20 -3.798 6.073 1.815 1.00 0.00 N ATOM 294 CA LEU A 20 -4.102 5.050 0.827 1.00 0.00 C ATOM 295 C LEU A 20 -4.209 3.716 1.515 1.00 0.00 C ATOM 296 O LEU A 20 -3.431 3.415 2.410 1.00 0.00 O ATOM 297 CB LEU A 20 -3.047 4.983 -0.296 1.00 0.00 C ATOM 298 CG LEU A 20 -3.053 6.128 -1.323 1.00 0.00 C ATOM 299 CD1 LEU A 20 -4.461 6.394 -1.836 1.00 0.00 C ATOM 300 CD2 LEU A 20 -2.439 7.381 -0.736 1.00 0.00 C ATOM 0 H LEU A 20 -3.017 5.846 2.431 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.050 5.311 0.356 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.061 4.947 0.166 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.182 4.044 -0.833 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.443 5.823 -2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.437 7.208 -2.560 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.850 5.495 -2.314 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.106 6.670 -1.002 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.454 8.177 -1.481 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.011 7.691 0.138 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.409 7.178 -0.443 1.00 0.00 H new ATOM 312 N LYS A 21 -5.182 2.925 1.135 1.00 0.00 N ATOM 313 CA LYS A 21 -5.364 1.630 1.744 1.00 0.00 C ATOM 314 C LYS A 21 -5.406 0.554 0.686 1.00 0.00 C ATOM 315 O LYS A 21 -5.959 0.742 -0.383 1.00 0.00 O ATOM 316 CB LYS A 21 -6.634 1.610 2.597 1.00 0.00 C ATOM 317 CG LYS A 21 -6.637 2.675 3.686 1.00 0.00 C ATOM 318 CD LYS A 21 -7.816 2.522 4.635 1.00 0.00 C ATOM 319 CE LYS A 21 -9.144 2.707 3.927 1.00 0.00 C ATOM 320 NZ LYS A 21 -10.292 2.617 4.865 1.00 0.00 N ATOM 0 H LYS A 21 -5.859 3.154 0.408 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.516 1.431 2.399 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.500 1.756 1.952 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.741 0.628 3.057 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.707 2.616 4.252 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.669 3.663 3.226 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.785 1.534 5.095 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.730 3.251 5.440 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.158 3.677 3.429 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.250 1.949 3.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.174 2.511 4.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.167 1.795 5.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.340 3.483 5.439 1.00 0.00 H new ATOM 334 N VAL A 22 -4.830 -0.575 0.988 1.00 0.00 N ATOM 335 CA VAL A 22 -4.757 -1.661 0.034 1.00 0.00 C ATOM 336 C VAL A 22 -5.373 -2.918 0.624 1.00 0.00 C ATOM 337 O VAL A 22 -5.077 -3.286 1.757 1.00 0.00 O ATOM 338 CB VAL A 22 -3.301 -1.955 -0.391 1.00 0.00 C ATOM 339 CG1 VAL A 22 -3.236 -3.112 -1.338 1.00 0.00 C ATOM 340 CG2 VAL A 22 -2.625 -0.741 -0.973 1.00 0.00 C ATOM 0 H VAL A 22 -4.400 -0.774 1.891 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.314 -1.355 -0.851 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.754 -2.226 0.512 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.199 -3.294 -1.619 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.643 -4.001 -0.855 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.819 -2.885 -2.231 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.604 -0.995 -1.258 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.174 -0.405 -1.853 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.607 0.057 -0.230 1.00 0.00 H new ATOM 350 N ALA A 23 -6.207 -3.589 -0.155 1.00 0.00 N ATOM 351 CA ALA A 23 -6.899 -4.779 0.301 1.00 0.00 C ATOM 352 C ALA A 23 -6.387 -6.016 -0.421 1.00 0.00 C ATOM 353 O ALA A 23 -6.307 -6.051 -1.657 1.00 0.00 O ATOM 354 CB ALA A 23 -8.400 -4.628 0.104 1.00 0.00 C ATOM 0 H ALA A 23 -6.421 -3.324 -1.116 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.699 -4.903 1.365 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.905 -5.529 0.451 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.757 -3.770 0.673 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.615 -4.476 -0.954 1.00 0.00 H new ATOM 360 N GLY A 24 -6.035 -7.031 0.343 1.00 0.00 N ATOM 361 CA GLY A 24 -5.538 -8.252 -0.224 1.00 0.00 C ATOM 362 C GLY A 24 -6.599 -9.319 -0.276 1.00 0.00 C ATOM 363 O GLY A 24 -7.639 -9.205 0.368 1.00 0.00 O ATOM 0 H GLY A 24 -6.087 -7.026 1.362 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.166 -8.060 -1.231 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.693 -8.608 0.365 1.00 0.00 H new ATOM 367 N GLN A 25 -6.320 -10.380 -1.010 1.00 0.00 N ATOM 368 CA GLN A 25 -7.268 -11.468 -1.210 1.00 0.00 C ATOM 369 C GLN A 25 -7.536 -12.186 0.099 1.00 0.00 C ATOM 370 O GLN A 25 -8.617 -12.715 0.328 1.00 0.00 O ATOM 371 CB GLN A 25 -6.722 -12.482 -2.220 1.00 0.00 C ATOM 372 CG GLN A 25 -5.998 -11.884 -3.423 1.00 0.00 C ATOM 373 CD GLN A 25 -4.543 -11.539 -3.131 1.00 0.00 C ATOM 374 OE1 GLN A 25 -4.267 -10.271 -2.907 1.00 0.00 O flip ATOM 375 NE2 GLN A 25 -3.672 -12.399 -3.175 1.00 0.00 N flip ATOM 0 H GLN A 25 -5.428 -10.515 -1.487 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.193 -11.035 -1.590 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.037 -13.152 -1.702 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -7.551 -13.091 -2.582 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.039 -12.590 -4.252 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -6.522 -10.984 -3.745 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.924 -13.372 -3.351 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.695 -12.143 -3.036 1.00 0.00 H new ATOM 384 N ASP A 26 -6.542 -12.194 0.961 1.00 0.00 N ATOM 385 CA ASP A 26 -6.636 -12.871 2.250 1.00 0.00 C ATOM 386 C ASP A 26 -7.532 -12.090 3.220 1.00 0.00 C ATOM 387 O ASP A 26 -7.934 -12.596 4.262 1.00 0.00 O ATOM 388 CB ASP A 26 -5.233 -13.058 2.839 1.00 0.00 C ATOM 389 CG ASP A 26 -5.219 -13.939 4.068 1.00 0.00 C ATOM 390 OD1 ASP A 26 -5.391 -15.174 3.924 1.00 0.00 O ATOM 391 OD2 ASP A 26 -5.013 -13.412 5.180 1.00 0.00 O ATOM 0 H ASP A 26 -5.646 -11.735 0.795 1.00 0.00 H new ATOM 0 HA ASP A 26 -7.091 -13.850 2.097 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.582 -13.492 2.080 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.819 -12.082 3.094 1.00 0.00 H new ATOM 396 N GLY A 27 -7.851 -10.851 2.868 1.00 0.00 N ATOM 397 CA GLY A 27 -8.701 -10.032 3.717 1.00 0.00 C ATOM 398 C GLY A 27 -7.908 -9.016 4.508 1.00 0.00 C ATOM 399 O GLY A 27 -8.459 -8.249 5.291 1.00 0.00 O ATOM 0 H GLY A 27 -7.537 -10.397 2.010 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.438 -9.516 3.101 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.253 -10.674 4.403 1.00 0.00 H new ATOM 403 N SER A 28 -6.606 -9.013 4.309 1.00 0.00 N ATOM 404 CA SER A 28 -5.734 -8.082 4.998 1.00 0.00 C ATOM 405 C SER A 28 -5.728 -6.732 4.278 1.00 0.00 C ATOM 406 O SER A 28 -5.884 -6.665 3.054 1.00 0.00 O ATOM 407 CB SER A 28 -4.320 -8.657 5.087 1.00 0.00 C ATOM 408 OG SER A 28 -3.482 -7.848 5.889 1.00 0.00 O ATOM 0 H SER A 28 -6.125 -9.648 3.672 1.00 0.00 H new ATOM 0 HA SER A 28 -6.107 -7.927 6.010 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.361 -9.664 5.502 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.897 -8.742 4.086 1.00 0.00 H new ATOM 0 HG SER A 28 -2.598 -7.779 5.472 1.00 0.00 H new ATOM 414 N VAL A 29 -5.543 -5.655 5.036 1.00 0.00 N ATOM 415 CA VAL A 29 -5.559 -4.299 4.489 1.00 0.00 C ATOM 416 C VAL A 29 -4.511 -3.448 5.198 1.00 0.00 C ATOM 417 O VAL A 29 -4.395 -3.482 6.423 1.00 0.00 O ATOM 418 CB VAL A 29 -6.947 -3.611 4.663 1.00 0.00 C ATOM 419 CG1 VAL A 29 -6.967 -2.228 4.021 1.00 0.00 C ATOM 420 CG2 VAL A 29 -8.076 -4.474 4.118 1.00 0.00 C ATOM 0 H VAL A 29 -5.378 -5.695 6.042 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.344 -4.380 3.424 1.00 0.00 H new ATOM 0 HB VAL A 29 -7.110 -3.489 5.734 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.949 -1.776 4.161 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -6.209 -1.599 4.488 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.757 -2.319 2.955 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -9.027 -3.960 4.258 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.915 -4.656 3.055 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.096 -5.425 4.650 1.00 0.00 H new ATOM 430 N VAL A 30 -3.752 -2.679 4.440 1.00 0.00 N ATOM 431 CA VAL A 30 -2.729 -1.819 5.018 1.00 0.00 C ATOM 432 C VAL A 30 -3.003 -0.372 4.657 1.00 0.00 C ATOM 433 O VAL A 30 -3.371 -0.068 3.524 1.00 0.00 O ATOM 434 CB VAL A 30 -1.317 -2.190 4.531 1.00 0.00 C ATOM 435 CG1 VAL A 30 -0.265 -1.458 5.354 1.00 0.00 C ATOM 436 CG2 VAL A 30 -1.103 -3.694 4.593 1.00 0.00 C ATOM 0 H VAL A 30 -3.822 -2.630 3.424 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.768 -1.958 6.098 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.217 -1.880 3.491 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.729 -1.730 4.999 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.406 -0.382 5.250 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.364 -1.737 6.403 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.098 -3.933 4.244 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.221 -4.036 5.621 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.836 -4.192 3.958 1.00 0.00 H new ATOM 446 N GLN A 31 -2.868 0.519 5.626 1.00 0.00 N ATOM 447 CA GLN A 31 -3.083 1.934 5.389 1.00 0.00 C ATOM 448 C GLN A 31 -1.747 2.667 5.319 1.00 0.00 C ATOM 449 O GLN A 31 -0.827 2.374 6.084 1.00 0.00 O ATOM 450 CB GLN A 31 -3.956 2.558 6.492 1.00 0.00 C ATOM 451 CG GLN A 31 -5.259 1.816 6.798 1.00 0.00 C ATOM 452 CD GLN A 31 -5.100 0.713 7.837 1.00 0.00 C ATOM 453 OE1 GLN A 31 -4.905 -0.509 7.384 1.00 0.00 O flip ATOM 454 NE2 GLN A 31 -5.185 0.962 9.036 1.00 0.00 N flip ATOM 0 H GLN A 31 -2.610 0.285 6.585 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.604 2.036 4.437 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.368 2.616 7.408 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.199 3.581 6.204 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.002 2.532 7.150 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.646 1.383 5.876 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.336 1.921 9.348 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.104 0.210 9.720 1.00 0.00 H new ATOM 463 N PHE A 32 -1.636 3.618 4.404 1.00 0.00 N ATOM 464 CA PHE A 32 -0.395 4.367 4.217 1.00 0.00 C ATOM 465 C PHE A 32 -0.656 5.874 4.195 1.00 0.00 C ATOM 466 O PHE A 32 -1.772 6.323 3.911 1.00 0.00 O ATOM 467 CB PHE A 32 0.275 3.967 2.894 1.00 0.00 C ATOM 468 CG PHE A 32 0.377 2.486 2.677 1.00 0.00 C ATOM 469 CD1 PHE A 32 -0.687 1.782 2.141 1.00 0.00 C ATOM 470 CD2 PHE A 32 1.534 1.798 3.005 1.00 0.00 C ATOM 471 CE1 PHE A 32 -0.605 0.428 1.936 1.00 0.00 C ATOM 472 CE2 PHE A 32 1.622 0.437 2.801 1.00 0.00 C ATOM 473 CZ PHE A 32 0.549 -0.248 2.265 1.00 0.00 C ATOM 0 H PHE A 32 -2.391 3.893 3.776 1.00 0.00 H new ATOM 0 HA PHE A 32 0.259 4.129 5.056 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.286 4.406 2.069 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.276 4.397 2.863 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.595 2.306 1.880 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.374 2.332 3.424 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.444 -0.107 1.517 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.527 -0.092 3.060 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.615 -1.314 2.104 1.00 0.00 H new HETATM 483 OH ALY A 33 -2.522 12.983 8.008 1.00 0.00 O HETATM 484 CH ALY A 33 -3.362 12.170 7.607 1.00 0.00 C HETATM 485 CH3 ALY A 33 -4.835 12.442 7.716 1.00 0.00 C HETATM 486 NZ ALY A 33 -3.021 11.033 7.015 1.00 0.00 N HETATM 487 CE ALY A 33 -1.727 10.369 7.192 1.00 0.00 C HETATM 488 CD ALY A 33 -1.773 8.913 6.754 1.00 0.00 C HETATM 489 CG ALY A 33 -0.433 8.226 6.910 1.00 0.00 C HETATM 490 CB ALY A 33 0.560 8.689 5.859 1.00 0.00 C HETATM 491 CA ALY A 33 0.331 8.105 4.457 1.00 0.00 C HETATM 492 N ALY A 33 0.378 6.645 4.498 1.00 0.00 N HETATM 493 C ALY A 33 1.425 8.609 3.521 1.00 0.00 C HETATM 494 O ALY A 33 2.601 8.641 3.892 1.00 0.00 O HETATM 0 HH33 ALY A 33 -5.103 12.578 8.764 1.00 0.00 H new HETATM 0 HH32 ALY A 33 -5.080 13.346 7.158 1.00 0.00 H new HETATM 0 HH31 ALY A 33 -5.392 11.600 7.305 1.00 0.00 H new HETATM 0 HZ ALY A 33 -3.703 10.593 6.397 1.00 0.00 H new HETATM 0 HG3 ALY A 33 -0.566 7.147 6.835 1.00 0.00 H new HETATM 0 HG2 ALY A 33 -0.033 8.429 7.903 1.00 0.00 H new HETATM 0 HE3 ALY A 33 -1.431 10.424 8.240 1.00 0.00 H new HETATM 0 HE2 ALY A 33 -0.966 10.897 6.617 1.00 0.00 H new HETATM 0 HD3 ALY A 33 -2.088 8.859 5.712 1.00 0.00 H new HETATM 0 HD2 ALY A 33 -2.522 8.382 7.342 1.00 0.00 H new HETATM 0 HCA ALY A 33 -0.650 8.420 4.100 1.00 0.00 H new HETATM 0 HB3 ALY A 33 1.565 8.425 6.188 1.00 0.00 H new HETATM 0 HB2 ALY A 33 0.520 9.776 5.796 1.00 0.00 H new ATOM 509 N ILE A 34 1.060 8.984 2.303 1.00 0.00 N ATOM 510 CA ILE A 34 2.056 9.416 1.316 1.00 0.00 C ATOM 511 C ILE A 34 1.608 10.684 0.609 1.00 0.00 C ATOM 512 O ILE A 34 0.441 11.064 0.672 1.00 0.00 O ATOM 513 CB ILE A 34 2.322 8.325 0.240 1.00 0.00 C ATOM 514 CG1 ILE A 34 1.131 8.212 -0.713 1.00 0.00 C ATOM 515 CG2 ILE A 34 2.599 6.977 0.898 1.00 0.00 C ATOM 516 CD1 ILE A 34 1.376 7.300 -1.889 1.00 0.00 C ATOM 0 H ILE A 34 0.096 9.000 1.971 1.00 0.00 H new ATOM 0 HA ILE A 34 2.976 9.601 1.871 1.00 0.00 H new ATOM 0 HB ILE A 34 3.202 8.618 -0.333 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.266 7.849 -0.157 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.878 9.206 -1.082 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.783 6.227 0.128 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.475 7.059 1.541 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.737 6.680 1.496 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.487 7.271 -2.519 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.220 7.673 -2.469 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.599 6.295 -1.530 1.00 0.00 H new ATOM 528 N LYS A 35 2.533 11.333 -0.078 1.00 0.00 N ATOM 529 CA LYS A 35 2.229 12.540 -0.820 1.00 0.00 C ATOM 530 C LYS A 35 1.532 12.204 -2.125 1.00 0.00 C ATOM 531 O LYS A 35 1.813 11.182 -2.748 1.00 0.00 O ATOM 532 CB LYS A 35 3.503 13.336 -1.094 1.00 0.00 C ATOM 533 CG LYS A 35 4.052 14.066 0.120 1.00 0.00 C ATOM 534 CD LYS A 35 5.463 14.588 -0.127 1.00 0.00 C ATOM 535 CE LYS A 35 5.561 15.403 -1.414 1.00 0.00 C ATOM 536 NZ LYS A 35 4.696 16.614 -1.390 1.00 0.00 N ATOM 0 H LYS A 35 3.508 11.039 -0.136 1.00 0.00 H new ATOM 0 HA LYS A 35 1.559 13.151 -0.215 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.268 12.658 -1.473 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.302 14.063 -1.881 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.395 14.898 0.372 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.058 13.393 0.978 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.773 15.206 0.716 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.155 13.748 -0.178 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.597 15.704 -1.572 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.279 14.776 -2.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.082 17.329 -2.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.733 16.359 -1.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.668 17.001 -0.425 1.00 0.00 H new ATOM 550 N ARG A 36 0.628 13.069 -2.550 1.00 0.00 N ATOM 551 CA ARG A 36 -0.109 12.858 -3.796 1.00 0.00 C ATOM 552 C ARG A 36 0.794 13.066 -5.008 1.00 0.00 C ATOM 553 O ARG A 36 0.458 12.688 -6.126 1.00 0.00 O ATOM 554 CB ARG A 36 -1.351 13.763 -3.867 1.00 0.00 C ATOM 555 CG ARG A 36 -1.067 15.243 -3.684 1.00 0.00 C ATOM 556 CD ARG A 36 -0.827 15.937 -5.009 1.00 0.00 C ATOM 557 NE ARG A 36 -0.470 17.337 -4.828 1.00 0.00 N ATOM 558 CZ ARG A 36 -0.800 18.316 -5.669 1.00 0.00 C ATOM 559 NH1 ARG A 36 -1.564 18.064 -6.728 1.00 0.00 N ATOM 560 NH2 ARG A 36 -0.387 19.551 -5.435 1.00 0.00 N ATOM 0 H ARG A 36 0.382 13.926 -2.055 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.452 11.824 -3.809 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.836 13.616 -4.832 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.060 13.445 -3.102 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.907 15.714 -3.174 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.194 15.369 -3.044 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.030 15.425 -5.548 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.724 15.867 -5.624 1.00 0.00 H new ATOM 0 HE ARG A 36 0.070 17.585 -3.999 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.901 17.117 -6.900 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.813 18.818 -7.368 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.182 19.751 -4.613 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.638 20.303 -6.077 1.00 0.00 H new ATOM 574 N HIS A 37 1.959 13.659 -4.775 1.00 0.00 N ATOM 575 CA HIS A 37 2.930 13.888 -5.837 1.00 0.00 C ATOM 576 C HIS A 37 3.976 12.785 -5.763 1.00 0.00 C ATOM 577 O HIS A 37 4.854 12.659 -6.607 1.00 0.00 O ATOM 578 CB HIS A 37 3.594 15.268 -5.666 1.00 0.00 C ATOM 579 CG HIS A 37 4.477 15.685 -6.820 1.00 0.00 C ATOM 580 ND1 HIS A 37 4.036 16.461 -7.864 1.00 0.00 N ATOM 581 CD2 HIS A 37 5.785 15.424 -7.081 1.00 0.00 C ATOM 582 CE1 HIS A 37 5.022 16.656 -8.720 1.00 0.00 C ATOM 583 NE2 HIS A 37 6.094 16.038 -8.269 1.00 0.00 N ATOM 0 H HIS A 37 2.254 13.991 -3.857 1.00 0.00 H new ATOM 0 HA HIS A 37 2.436 13.873 -6.808 1.00 0.00 H new ATOM 0 HB2 HIS A 37 2.815 16.018 -5.532 1.00 0.00 H new ATOM 0 HB3 HIS A 37 4.190 15.260 -4.753 1.00 0.00 H new ATOM 0 HD2 HIS A 37 6.457 14.842 -6.468 1.00 0.00 H new ATOM 0 HE1 HIS A 37 4.960 17.226 -9.635 1.00 0.00 H new ATOM 0 HE2 HIS A 37 7.005 16.019 -8.728 1.00 0.00 H new ATOM 592 N THR A 38 3.850 11.978 -4.745 1.00 0.00 N ATOM 593 CA THR A 38 4.754 10.898 -4.482 1.00 0.00 C ATOM 594 C THR A 38 4.254 9.614 -5.144 1.00 0.00 C ATOM 595 O THR A 38 3.063 9.311 -5.103 1.00 0.00 O ATOM 596 CB THR A 38 4.888 10.711 -2.953 1.00 0.00 C ATOM 597 OG1 THR A 38 5.816 11.665 -2.425 1.00 0.00 O ATOM 598 CG2 THR A 38 5.308 9.310 -2.573 1.00 0.00 C ATOM 0 H THR A 38 3.098 12.057 -4.061 1.00 0.00 H new ATOM 0 HA THR A 38 5.733 11.131 -4.900 1.00 0.00 H new ATOM 0 HB THR A 38 3.901 10.875 -2.520 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.017 11.444 -1.492 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.387 9.235 -1.488 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.566 8.597 -2.933 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.275 9.085 -3.023 1.00 0.00 H new ATOM 606 N PRO A 39 5.160 8.858 -5.790 1.00 0.00 N ATOM 607 CA PRO A 39 4.805 7.612 -6.461 1.00 0.00 C ATOM 608 C PRO A 39 4.233 6.586 -5.487 1.00 0.00 C ATOM 609 O PRO A 39 4.844 6.257 -4.466 1.00 0.00 O ATOM 610 CB PRO A 39 6.134 7.118 -7.052 1.00 0.00 C ATOM 611 CG PRO A 39 7.191 7.843 -6.294 1.00 0.00 C ATOM 612 CD PRO A 39 6.597 9.160 -5.909 1.00 0.00 C ATOM 0 HA PRO A 39 4.031 7.760 -7.214 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.238 6.039 -6.939 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.195 7.334 -8.119 1.00 0.00 H new ATOM 0 HG2 PRO A 39 7.494 7.279 -5.412 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.083 7.982 -6.905 1.00 0.00 H new ATOM 0 HD2 PRO A 39 7.010 9.529 -4.970 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.787 9.924 -6.663 1.00 0.00 H new ATOM 620 N LEU A 40 3.054 6.078 -5.806 1.00 0.00 N ATOM 621 CA LEU A 40 2.379 5.092 -4.972 1.00 0.00 C ATOM 622 C LEU A 40 3.159 3.779 -4.902 1.00 0.00 C ATOM 623 O LEU A 40 2.912 2.942 -4.038 1.00 0.00 O ATOM 624 CB LEU A 40 0.926 4.867 -5.437 1.00 0.00 C ATOM 625 CG LEU A 40 0.694 4.725 -6.951 1.00 0.00 C ATOM 626 CD1 LEU A 40 1.341 3.465 -7.496 1.00 0.00 C ATOM 627 CD2 LEU A 40 -0.794 4.733 -7.258 1.00 0.00 C ATOM 0 H LEU A 40 2.538 6.335 -6.647 1.00 0.00 H new ATOM 0 HA LEU A 40 2.341 5.493 -3.959 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.550 3.967 -4.950 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.322 5.700 -5.078 1.00 0.00 H new ATOM 0 HG LEU A 40 1.162 5.577 -7.443 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.157 3.396 -8.568 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.415 3.499 -7.313 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.916 2.593 -6.999 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.944 4.632 -8.333 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.276 3.901 -6.744 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.231 5.672 -6.917 1.00 0.00 H new ATOM 639 N SER A 41 4.095 3.599 -5.831 1.00 0.00 N ATOM 640 CA SER A 41 4.931 2.409 -5.890 1.00 0.00 C ATOM 641 C SER A 41 5.596 2.120 -4.547 1.00 0.00 C ATOM 642 O SER A 41 5.815 0.963 -4.187 1.00 0.00 O ATOM 643 CB SER A 41 5.987 2.584 -6.970 1.00 0.00 C ATOM 644 OG SER A 41 6.520 3.898 -6.943 1.00 0.00 O ATOM 0 H SER A 41 4.293 4.279 -6.565 1.00 0.00 H new ATOM 0 HA SER A 41 4.294 1.558 -6.131 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.787 1.859 -6.824 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.550 2.384 -7.948 1.00 0.00 H new ATOM 0 HG SER A 41 6.651 4.179 -6.013 1.00 0.00 H new ATOM 650 N LYS A 42 5.896 3.176 -3.800 1.00 0.00 N ATOM 651 CA LYS A 42 6.520 3.043 -2.499 1.00 0.00 C ATOM 652 C LYS A 42 5.614 2.261 -1.554 1.00 0.00 C ATOM 653 O LYS A 42 6.043 1.306 -0.912 1.00 0.00 O ATOM 654 CB LYS A 42 6.830 4.426 -1.923 1.00 0.00 C ATOM 655 CG LYS A 42 7.651 5.301 -2.862 1.00 0.00 C ATOM 656 CD LYS A 42 8.020 6.634 -2.228 1.00 0.00 C ATOM 657 CE LYS A 42 9.019 6.460 -1.092 1.00 0.00 C ATOM 658 NZ LYS A 42 10.281 5.818 -1.551 1.00 0.00 N ATOM 0 H LYS A 42 5.713 4.139 -4.081 1.00 0.00 H new ATOM 0 HA LYS A 42 7.455 2.494 -2.611 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.894 4.933 -1.691 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.370 4.308 -0.983 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.560 4.772 -3.147 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.086 5.480 -3.777 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.443 7.293 -2.986 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.120 7.119 -1.850 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.245 7.433 -0.656 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.570 5.855 -0.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.032 5.989 -0.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.132 4.794 -1.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.563 6.222 -2.467 1.00 0.00 H new ATOM 672 N LEU A 43 4.344 2.656 -1.491 1.00 0.00 N ATOM 673 CA LEU A 43 3.380 1.976 -0.633 1.00 0.00 C ATOM 674 C LEU A 43 3.121 0.568 -1.149 1.00 0.00 C ATOM 675 O LEU A 43 2.921 -0.363 -0.375 1.00 0.00 O ATOM 676 CB LEU A 43 2.054 2.781 -0.525 1.00 0.00 C ATOM 677 CG LEU A 43 1.042 2.634 -1.681 1.00 0.00 C ATOM 678 CD1 LEU A 43 0.143 1.416 -1.485 1.00 0.00 C ATOM 679 CD2 LEU A 43 0.202 3.886 -1.825 1.00 0.00 C ATOM 0 H LEU A 43 3.961 3.439 -2.021 1.00 0.00 H new ATOM 0 HA LEU A 43 3.803 1.908 0.369 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.556 2.488 0.399 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.307 3.837 -0.430 1.00 0.00 H new ATOM 0 HG LEU A 43 1.614 2.489 -2.598 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.557 1.343 -2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.755 0.515 -1.445 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.411 1.519 -0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.504 3.758 -2.646 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.346 4.065 -0.900 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.850 4.737 -2.033 1.00 0.00 H new ATOM 691 N MET A 44 3.134 0.412 -2.471 1.00 0.00 N ATOM 692 CA MET A 44 2.881 -0.882 -3.081 1.00 0.00 C ATOM 693 C MET A 44 3.952 -1.881 -2.693 1.00 0.00 C ATOM 694 O MET A 44 3.655 -2.998 -2.262 1.00 0.00 O ATOM 695 CB MET A 44 2.782 -0.784 -4.609 1.00 0.00 C ATOM 696 CG MET A 44 1.632 0.072 -5.112 1.00 0.00 C ATOM 697 SD MET A 44 1.219 -0.260 -6.843 1.00 0.00 S ATOM 698 CE MET A 44 2.789 0.026 -7.655 1.00 0.00 C ATOM 0 H MET A 44 3.317 1.165 -3.134 1.00 0.00 H new ATOM 0 HA MET A 44 1.919 -1.230 -2.704 1.00 0.00 H new ATOM 0 HB2 MET A 44 3.717 -0.378 -4.996 1.00 0.00 H new ATOM 0 HB3 MET A 44 2.677 -1.789 -5.019 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.753 -0.107 -4.492 1.00 0.00 H new ATOM 0 HG3 MET A 44 1.892 1.125 -5.000 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.741 -0.343 -8.679 1.00 0.00 H new ATOM 0 HE2 MET A 44 3.005 1.094 -7.664 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.578 -0.499 -7.117 1.00 0.00 H new ATOM 708 N LYS A 45 5.210 -1.493 -2.832 1.00 0.00 N ATOM 709 CA LYS A 45 6.297 -2.385 -2.488 1.00 0.00 C ATOM 710 C LYS A 45 6.325 -2.626 -0.992 1.00 0.00 C ATOM 711 O LYS A 45 6.573 -3.739 -0.541 1.00 0.00 O ATOM 712 CB LYS A 45 7.640 -1.856 -2.981 1.00 0.00 C ATOM 713 CG LYS A 45 7.684 -1.602 -4.485 1.00 0.00 C ATOM 714 CD LYS A 45 9.107 -1.451 -4.981 1.00 0.00 C ATOM 715 CE LYS A 45 9.746 -2.804 -5.268 1.00 0.00 C ATOM 716 NZ LYS A 45 9.546 -3.217 -6.680 1.00 0.00 N ATOM 0 H LYS A 45 5.498 -0.577 -3.177 1.00 0.00 H new ATOM 0 HA LYS A 45 6.122 -3.336 -2.992 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.869 -0.928 -2.458 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.420 -2.571 -2.719 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.201 -2.427 -5.009 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.118 -0.700 -4.719 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.115 -0.844 -5.887 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.698 -0.919 -4.236 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.813 -2.756 -5.050 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.319 -3.556 -4.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.994 -4.142 -6.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.528 -3.287 -6.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.976 -2.512 -7.312 1.00 0.00 H new ATOM 730 N ALA A 46 6.017 -1.593 -0.218 1.00 0.00 N ATOM 731 CA ALA A 46 5.977 -1.718 1.229 1.00 0.00 C ATOM 732 C ALA A 46 4.910 -2.730 1.632 1.00 0.00 C ATOM 733 O ALA A 46 5.102 -3.524 2.550 1.00 0.00 O ATOM 734 CB ALA A 46 5.708 -0.368 1.874 1.00 0.00 C ATOM 0 H ALA A 46 5.792 -0.662 -0.569 1.00 0.00 H new ATOM 0 HA ALA A 46 6.946 -2.072 1.580 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.682 -0.481 2.958 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.500 0.330 1.601 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.749 0.017 1.526 1.00 0.00 H new ATOM 740 N TYR A 47 3.782 -2.706 0.920 1.00 0.00 N ATOM 741 CA TYR A 47 2.696 -3.637 1.158 1.00 0.00 C ATOM 742 C TYR A 47 3.161 -5.075 0.991 1.00 0.00 C ATOM 743 O TYR A 47 3.002 -5.891 1.888 1.00 0.00 O ATOM 744 CB TYR A 47 1.521 -3.361 0.214 1.00 0.00 C ATOM 745 CG TYR A 47 0.392 -4.379 0.315 1.00 0.00 C ATOM 746 CD1 TYR A 47 -0.636 -4.218 1.230 1.00 0.00 C ATOM 747 CD2 TYR A 47 0.361 -5.495 -0.514 1.00 0.00 C ATOM 748 CE1 TYR A 47 -1.665 -5.139 1.318 1.00 0.00 C ATOM 749 CE2 TYR A 47 -0.662 -6.419 -0.435 1.00 0.00 C ATOM 750 CZ TYR A 47 -1.674 -6.238 0.482 1.00 0.00 C ATOM 751 OH TYR A 47 -2.696 -7.153 0.567 1.00 0.00 O ATOM 0 H TYR A 47 3.603 -2.041 0.167 1.00 0.00 H new ATOM 0 HA TYR A 47 2.363 -3.494 2.186 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.122 -2.369 0.427 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.889 -3.343 -0.812 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.634 -3.360 1.885 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.153 -5.642 -1.234 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.458 -4.999 2.038 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.669 -7.279 -1.088 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.553 -7.865 -0.091 1.00 0.00 H new ATOM 761 N CYS A 48 3.761 -5.393 -0.152 1.00 0.00 N ATOM 762 CA CYS A 48 4.181 -6.759 -0.416 1.00 0.00 C ATOM 763 C CYS A 48 5.292 -7.188 0.537 1.00 0.00 C ATOM 764 O CYS A 48 5.326 -8.325 0.993 1.00 0.00 O ATOM 765 CB CYS A 48 4.610 -6.935 -1.883 1.00 0.00 C ATOM 766 SG CYS A 48 6.036 -5.945 -2.395 1.00 0.00 S ATOM 0 H CYS A 48 3.964 -4.730 -0.900 1.00 0.00 H new ATOM 0 HA CYS A 48 3.324 -7.409 -0.240 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.838 -7.987 -2.054 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.765 -6.684 -2.524 1.00 0.00 H new ATOM 0 HG CYS A 48 6.265 -5.023 -1.508 1.00 0.00 H new ATOM 772 N GLU A 49 6.184 -6.261 0.870 1.00 0.00 N ATOM 773 CA GLU A 49 7.291 -6.555 1.768 1.00 0.00 C ATOM 774 C GLU A 49 6.800 -6.870 3.179 1.00 0.00 C ATOM 775 O GLU A 49 7.306 -7.783 3.834 1.00 0.00 O ATOM 776 CB GLU A 49 8.283 -5.393 1.790 1.00 0.00 C ATOM 777 CG GLU A 49 9.019 -5.194 0.474 1.00 0.00 C ATOM 778 CD GLU A 49 10.011 -4.055 0.525 1.00 0.00 C ATOM 779 OE1 GLU A 49 11.134 -4.267 1.025 1.00 0.00 O ATOM 780 OE2 GLU A 49 9.678 -2.946 0.067 1.00 0.00 O ATOM 0 H GLU A 49 6.160 -5.300 0.530 1.00 0.00 H new ATOM 0 HA GLU A 49 7.799 -7.442 1.391 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.750 -4.476 2.040 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.012 -5.564 2.582 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.542 -6.114 0.213 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.294 -5.003 -0.317 1.00 0.00 H new ATOM 787 N ARG A 50 5.802 -6.131 3.646 1.00 0.00 N ATOM 788 CA ARG A 50 5.265 -6.352 4.987 1.00 0.00 C ATOM 789 C ARG A 50 4.296 -7.532 5.004 1.00 0.00 C ATOM 790 O ARG A 50 4.151 -8.218 6.012 1.00 0.00 O ATOM 791 CB ARG A 50 4.556 -5.092 5.512 1.00 0.00 C ATOM 792 CG ARG A 50 3.309 -4.714 4.728 1.00 0.00 C ATOM 793 CD ARG A 50 2.612 -3.500 5.312 1.00 0.00 C ATOM 794 NE ARG A 50 2.129 -3.746 6.670 1.00 0.00 N ATOM 795 CZ ARG A 50 2.430 -2.993 7.730 1.00 0.00 C ATOM 796 NH1 ARG A 50 3.221 -1.937 7.599 1.00 0.00 N ATOM 797 NH2 ARG A 50 1.931 -3.301 8.914 1.00 0.00 N ATOM 0 H ARG A 50 5.350 -5.380 3.124 1.00 0.00 H new ATOM 0 HA ARG A 50 6.107 -6.581 5.641 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.283 -5.249 6.556 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.256 -4.257 5.487 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.581 -4.512 3.692 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.619 -5.557 4.718 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.301 -2.655 5.320 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.773 -3.222 4.674 1.00 0.00 H new ATOM 0 HE ARG A 50 1.519 -4.550 6.818 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.603 -1.696 6.684 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.447 -1.365 8.413 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.319 -4.111 9.015 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.158 -2.729 9.727 1.00 0.00 H new ATOM 811 N GLN A 51 3.614 -7.759 3.890 1.00 0.00 N ATOM 812 CA GLN A 51 2.632 -8.831 3.801 1.00 0.00 C ATOM 813 C GLN A 51 3.254 -10.180 3.474 1.00 0.00 C ATOM 814 O GLN A 51 2.620 -11.218 3.649 1.00 0.00 O ATOM 815 CB GLN A 51 1.542 -8.484 2.797 1.00 0.00 C ATOM 816 CG GLN A 51 0.613 -7.391 3.283 1.00 0.00 C ATOM 817 CD GLN A 51 -0.120 -7.780 4.552 1.00 0.00 C ATOM 818 OE1 GLN A 51 -1.214 -8.326 4.502 1.00 0.00 O ATOM 819 NE2 GLN A 51 0.489 -7.521 5.697 1.00 0.00 N ATOM 0 H GLN A 51 3.723 -7.215 3.034 1.00 0.00 H new ATOM 0 HA GLN A 51 2.185 -8.925 4.791 1.00 0.00 H new ATOM 0 HB2 GLN A 51 2.005 -8.170 1.861 1.00 0.00 H new ATOM 0 HB3 GLN A 51 0.958 -9.379 2.580 1.00 0.00 H new ATOM 0 HG2 GLN A 51 1.187 -6.482 3.462 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.113 -7.161 2.503 1.00 0.00 H new ATOM 0 HE21 GLN A 51 1.401 -7.064 5.698 1.00 0.00 H new ATOM 0 HE22 GLN A 51 0.047 -7.778 6.579 1.00 0.00 H new ATOM 828 N GLY A 52 4.486 -10.186 2.997 1.00 0.00 N ATOM 829 CA GLY A 52 5.136 -11.444 2.687 1.00 0.00 C ATOM 830 C GLY A 52 4.950 -11.866 1.240 1.00 0.00 C ATOM 831 O GLY A 52 5.320 -12.979 0.854 1.00 0.00 O ATOM 0 H GLY A 52 5.046 -9.352 2.819 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.201 -11.359 2.901 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.741 -12.222 3.340 1.00 0.00 H new ATOM 835 N LEU A 53 4.362 -10.999 0.434 1.00 0.00 N ATOM 836 CA LEU A 53 4.145 -11.298 -0.977 1.00 0.00 C ATOM 837 C LEU A 53 5.219 -10.654 -1.849 1.00 0.00 C ATOM 838 O LEU A 53 6.080 -9.923 -1.369 1.00 0.00 O ATOM 839 CB LEU A 53 2.753 -10.829 -1.443 1.00 0.00 C ATOM 840 CG LEU A 53 1.532 -11.586 -0.884 1.00 0.00 C ATOM 841 CD1 LEU A 53 1.704 -13.090 -1.021 1.00 0.00 C ATOM 842 CD2 LEU A 53 1.257 -11.197 0.557 1.00 0.00 C ATOM 0 H LEU A 53 4.025 -10.082 0.729 1.00 0.00 H new ATOM 0 HA LEU A 53 4.204 -12.381 -1.086 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.646 -9.776 -1.182 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.721 -10.893 -2.531 1.00 0.00 H new ATOM 0 HG LEU A 53 0.666 -11.296 -1.478 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.826 -13.595 -0.618 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.820 -13.349 -2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.590 -13.407 -0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.390 -11.747 0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.125 -11.437 1.171 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.058 -10.127 0.613 1.00 0.00 H new ATOM 854 N SER A 54 5.175 -10.941 -3.135 1.00 0.00 N ATOM 855 CA SER A 54 6.118 -10.382 -4.074 1.00 0.00 C ATOM 856 C SER A 54 5.390 -9.697 -5.223 1.00 0.00 C ATOM 857 O SER A 54 4.224 -9.984 -5.481 1.00 0.00 O ATOM 858 CB SER A 54 7.025 -11.477 -4.597 1.00 0.00 C ATOM 859 OG SER A 54 7.860 -11.977 -3.571 1.00 0.00 O ATOM 0 H SER A 54 4.486 -11.566 -3.554 1.00 0.00 H new ATOM 0 HA SER A 54 6.723 -9.632 -3.564 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.423 -12.287 -5.008 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.636 -11.089 -5.412 1.00 0.00 H new ATOM 0 HG SER A 54 8.435 -12.684 -3.932 1.00 0.00 H new ATOM 865 N MET A 55 6.080 -8.804 -5.926 1.00 0.00 N ATOM 866 CA MET A 55 5.492 -8.086 -7.062 1.00 0.00 C ATOM 867 C MET A 55 5.180 -9.031 -8.217 1.00 0.00 C ATOM 868 O MET A 55 4.326 -8.758 -9.048 1.00 0.00 O ATOM 869 CB MET A 55 6.415 -6.958 -7.520 1.00 0.00 C ATOM 870 CG MET A 55 6.307 -5.727 -6.661 1.00 0.00 C ATOM 871 SD MET A 55 4.673 -4.988 -6.757 1.00 0.00 S ATOM 872 CE MET A 55 4.722 -3.931 -5.334 1.00 0.00 C ATOM 0 H MET A 55 7.050 -8.557 -5.731 1.00 0.00 H new ATOM 0 HA MET A 55 4.550 -7.650 -6.729 1.00 0.00 H new ATOM 0 HB2 MET A 55 7.446 -7.312 -7.510 1.00 0.00 H new ATOM 0 HB3 MET A 55 6.177 -6.697 -8.551 1.00 0.00 H new ATOM 0 HG2 MET A 55 6.529 -5.986 -5.626 1.00 0.00 H new ATOM 0 HG3 MET A 55 7.055 -4.998 -6.975 1.00 0.00 H new ATOM 0 HE1 MET A 55 4.064 -4.329 -4.562 1.00 0.00 H new ATOM 0 HE2 MET A 55 5.742 -3.882 -4.952 1.00 0.00 H new ATOM 0 HE3 MET A 55 4.391 -2.931 -5.612 1.00 0.00 H new ATOM 882 N ARG A 56 5.892 -10.139 -8.280 1.00 0.00 N ATOM 883 CA ARG A 56 5.628 -11.149 -9.295 1.00 0.00 C ATOM 884 C ARG A 56 4.522 -12.094 -8.827 1.00 0.00 C ATOM 885 O ARG A 56 3.911 -12.809 -9.613 1.00 0.00 O ATOM 886 CB ARG A 56 6.902 -11.934 -9.663 1.00 0.00 C ATOM 887 CG ARG A 56 7.706 -12.461 -8.479 1.00 0.00 C ATOM 888 CD ARG A 56 8.798 -11.482 -8.060 1.00 0.00 C ATOM 889 NE ARG A 56 9.757 -11.249 -9.138 1.00 0.00 N ATOM 890 CZ ARG A 56 10.473 -10.131 -9.289 1.00 0.00 C ATOM 891 NH1 ARG A 56 10.357 -9.135 -8.415 1.00 0.00 N ATOM 892 NH2 ARG A 56 11.314 -10.022 -10.311 1.00 0.00 N ATOM 0 H ARG A 56 6.656 -10.366 -7.644 1.00 0.00 H new ATOM 0 HA ARG A 56 5.293 -10.637 -10.197 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.620 -12.777 -10.294 1.00 0.00 H new ATOM 0 HB3 ARG A 56 7.546 -11.290 -10.261 1.00 0.00 H new ATOM 0 HG2 ARG A 56 7.038 -12.643 -7.637 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.156 -13.418 -8.742 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.345 -10.536 -7.765 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.320 -11.871 -7.186 1.00 0.00 H new ATOM 0 HE ARG A 56 9.889 -11.993 -9.824 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.719 -9.222 -7.624 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.906 -8.284 -8.536 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.411 -10.789 -10.976 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.863 -9.171 -10.431 1.00 0.00 H new ATOM 906 N GLN A 57 4.282 -12.093 -7.527 1.00 0.00 N ATOM 907 CA GLN A 57 3.274 -12.940 -6.915 1.00 0.00 C ATOM 908 C GLN A 57 1.912 -12.259 -6.873 1.00 0.00 C ATOM 909 O GLN A 57 0.886 -12.910 -6.892 1.00 0.00 O ATOM 910 CB GLN A 57 3.714 -13.333 -5.496 1.00 0.00 C ATOM 911 CG GLN A 57 4.515 -14.628 -5.417 1.00 0.00 C ATOM 912 CD GLN A 57 5.791 -14.604 -6.233 1.00 0.00 C ATOM 913 OE1 GLN A 57 6.851 -14.240 -5.738 1.00 0.00 O ATOM 914 NE2 GLN A 57 5.694 -14.972 -7.488 1.00 0.00 N ATOM 0 H GLN A 57 4.783 -11.502 -6.864 1.00 0.00 H new ATOM 0 HA GLN A 57 3.174 -13.836 -7.527 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.313 -12.524 -5.078 1.00 0.00 H new ATOM 0 HB3 GLN A 57 2.828 -13.430 -4.869 1.00 0.00 H new ATOM 0 HG2 GLN A 57 4.764 -14.828 -4.375 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.890 -15.453 -5.759 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.794 -15.269 -7.864 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.519 -14.961 -8.088 1.00 0.00 H new ATOM 923 N ILE A 58 1.910 -10.947 -6.819 1.00 0.00 N ATOM 924 CA ILE A 58 0.661 -10.192 -6.728 1.00 0.00 C ATOM 925 C ILE A 58 0.657 -8.988 -7.648 1.00 0.00 C ATOM 926 O ILE A 58 1.639 -8.693 -8.314 1.00 0.00 O ATOM 927 CB ILE A 58 0.378 -9.708 -5.283 1.00 0.00 C ATOM 928 CG1 ILE A 58 1.344 -8.577 -4.897 1.00 0.00 C ATOM 929 CG2 ILE A 58 0.478 -10.864 -4.305 1.00 0.00 C ATOM 930 CD1 ILE A 58 1.218 -8.114 -3.462 1.00 0.00 C ATOM 0 H ILE A 58 2.753 -10.372 -6.836 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.123 -10.884 -7.036 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.638 -9.316 -5.241 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.366 -8.913 -5.070 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.172 -7.727 -5.557 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.276 -10.505 -3.296 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.251 -11.629 -4.571 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.481 -11.289 -4.345 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.935 -7.315 -3.273 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.208 -7.744 -3.286 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.420 -8.949 -2.791 1.00 0.00 H new ATOM 942 N ARG A 59 -0.460 -8.290 -7.661 1.00 0.00 N ATOM 943 CA ARG A 59 -0.632 -7.092 -8.464 1.00 0.00 C ATOM 944 C ARG A 59 -1.634 -6.159 -7.822 1.00 0.00 C ATOM 945 O ARG A 59 -2.619 -6.602 -7.228 1.00 0.00 O ATOM 946 CB ARG A 59 -1.075 -7.434 -9.888 1.00 0.00 C ATOM 947 CG ARG A 59 0.070 -7.747 -10.834 1.00 0.00 C ATOM 948 CD ARG A 59 0.913 -6.515 -11.104 1.00 0.00 C ATOM 949 NE ARG A 59 1.973 -6.790 -12.074 1.00 0.00 N ATOM 950 CZ ARG A 59 2.501 -5.896 -12.914 1.00 0.00 C ATOM 951 NH1 ARG A 59 2.057 -4.645 -12.933 1.00 0.00 N ATOM 952 NH2 ARG A 59 3.471 -6.263 -13.741 1.00 0.00 N ATOM 0 H ARG A 59 -1.282 -8.538 -7.111 1.00 0.00 H new ATOM 0 HA ARG A 59 0.335 -6.592 -8.518 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.747 -8.291 -9.852 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.646 -6.597 -10.290 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.694 -8.531 -10.406 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.326 -8.132 -11.773 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.277 -5.713 -11.477 1.00 0.00 H new ATOM 0 HD3 ARG A 59 1.355 -6.164 -10.171 1.00 0.00 H new ATOM 0 HE ARG A 59 2.338 -7.742 -12.112 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.307 -4.360 -12.303 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.466 -3.968 -13.578 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.811 -7.225 -13.734 1.00 0.00 H new ATOM 0 HH22 ARG A 59 3.877 -5.583 -14.384 1.00 0.00 H new ATOM 966 N PHE A 60 -1.378 -4.868 -7.934 1.00 0.00 N ATOM 967 CA PHE A 60 -2.249 -3.852 -7.375 1.00 0.00 C ATOM 968 C PHE A 60 -3.149 -3.294 -8.463 1.00 0.00 C ATOM 969 O PHE A 60 -2.743 -3.168 -9.620 1.00 0.00 O ATOM 970 CB PHE A 60 -1.423 -2.722 -6.740 1.00 0.00 C ATOM 971 CG PHE A 60 -0.555 -3.170 -5.593 1.00 0.00 C ATOM 972 CD1 PHE A 60 0.559 -3.957 -5.827 1.00 0.00 C ATOM 973 CD2 PHE A 60 -0.849 -2.805 -4.282 1.00 0.00 C ATOM 974 CE1 PHE A 60 1.358 -4.375 -4.790 1.00 0.00 C ATOM 975 CE2 PHE A 60 -0.046 -3.223 -3.243 1.00 0.00 C ATOM 976 CZ PHE A 60 1.058 -4.009 -3.500 1.00 0.00 C ATOM 0 H PHE A 60 -0.560 -4.495 -8.415 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.864 -4.306 -6.598 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.792 -2.272 -7.506 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -2.100 -1.944 -6.388 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.804 -4.247 -6.838 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.713 -2.190 -4.078 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.222 -4.991 -4.989 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.281 -2.936 -2.229 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.688 -4.337 -2.686 1.00 0.00 H new ATOM 986 N ARG A 61 -4.362 -2.968 -8.104 1.00 0.00 N ATOM 987 CA ARG A 61 -5.340 -2.475 -9.045 1.00 0.00 C ATOM 988 C ARG A 61 -6.196 -1.387 -8.427 1.00 0.00 C ATOM 989 O ARG A 61 -6.421 -1.362 -7.216 1.00 0.00 O ATOM 990 CB ARG A 61 -6.221 -3.621 -9.496 1.00 0.00 C ATOM 991 CG ARG A 61 -7.394 -3.186 -10.325 1.00 0.00 C ATOM 992 CD ARG A 61 -8.587 -4.043 -10.063 1.00 0.00 C ATOM 993 NE ARG A 61 -8.930 -4.855 -11.222 1.00 0.00 N ATOM 994 CZ ARG A 61 -9.365 -6.121 -11.166 1.00 0.00 C ATOM 995 NH1 ARG A 61 -9.512 -6.739 -9.992 1.00 0.00 N ATOM 996 NH2 ARG A 61 -9.634 -6.776 -12.291 1.00 0.00 N ATOM 0 H ARG A 61 -4.704 -3.036 -7.146 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.814 -2.048 -9.899 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.621 -4.325 -10.072 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.585 -4.156 -8.619 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.634 -2.146 -10.103 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.133 -3.234 -11.382 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.389 -4.692 -9.210 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.436 -3.414 -9.795 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.832 -4.429 -12.144 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.292 -6.247 -9.126 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.844 -7.703 -9.961 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.509 -6.315 -13.192 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.965 -7.740 -12.253 1.00 0.00 H new ATOM 1010 N PHE A 62 -6.673 -0.486 -9.262 1.00 0.00 N ATOM 1011 CA PHE A 62 -7.534 0.578 -8.835 1.00 0.00 C ATOM 1012 C PHE A 62 -8.361 1.047 -10.011 1.00 0.00 C ATOM 1013 O PHE A 62 -7.902 1.022 -11.133 1.00 0.00 O ATOM 1014 CB PHE A 62 -6.708 1.715 -8.256 1.00 0.00 C ATOM 1015 CG PHE A 62 -7.514 2.852 -7.699 1.00 0.00 C ATOM 1016 CD1 PHE A 62 -7.936 2.829 -6.386 1.00 0.00 C ATOM 1017 CD2 PHE A 62 -7.841 3.945 -8.486 1.00 0.00 C ATOM 1018 CE1 PHE A 62 -8.670 3.872 -5.865 1.00 0.00 C ATOM 1019 CE2 PHE A 62 -8.576 4.991 -7.974 1.00 0.00 C ATOM 1020 CZ PHE A 62 -8.990 4.955 -6.661 1.00 0.00 C ATOM 0 H PHE A 62 -6.468 -0.479 -10.261 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.206 0.222 -8.054 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.070 1.318 -7.466 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.049 2.101 -9.034 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.688 1.985 -5.760 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.515 3.977 -9.515 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.995 3.843 -4.835 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.827 5.835 -8.599 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.565 5.773 -6.254 1.00 0.00 H new ATOM 1030 N ASP A 63 -9.589 1.472 -9.745 1.00 0.00 N ATOM 1031 CA ASP A 63 -10.533 1.901 -10.798 1.00 0.00 C ATOM 1032 C ASP A 63 -10.736 0.783 -11.811 1.00 0.00 C ATOM 1033 O ASP A 63 -11.120 1.009 -12.957 1.00 0.00 O ATOM 1034 CB ASP A 63 -9.983 3.133 -11.510 1.00 0.00 C ATOM 1035 CG ASP A 63 -11.026 3.884 -12.317 1.00 0.00 C ATOM 1036 OD1 ASP A 63 -12.012 4.367 -11.719 1.00 0.00 O ATOM 1037 OD2 ASP A 63 -10.862 4.005 -13.553 1.00 0.00 O ATOM 0 H ASP A 63 -9.969 1.533 -8.800 1.00 0.00 H new ATOM 0 HA ASP A 63 -11.490 2.141 -10.334 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.553 3.808 -10.770 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -9.173 2.828 -12.173 1.00 0.00 H new ATOM 1042 N GLY A 64 -10.495 -0.432 -11.377 1.00 0.00 N ATOM 1043 CA GLY A 64 -10.621 -1.564 -12.244 1.00 0.00 C ATOM 1044 C GLY A 64 -9.376 -1.803 -13.096 1.00 0.00 C ATOM 1045 O GLY A 64 -9.198 -2.875 -13.661 1.00 0.00 O ATOM 0 H GLY A 64 -10.210 -0.655 -10.423 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.821 -2.453 -11.646 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.481 -1.420 -12.899 1.00 0.00 H new ATOM 1049 N GLN A 65 -8.515 -0.799 -13.189 1.00 0.00 N ATOM 1050 CA GLN A 65 -7.290 -0.892 -13.982 1.00 0.00 C ATOM 1051 C GLN A 65 -6.090 -1.233 -13.089 1.00 0.00 C ATOM 1052 O GLN A 65 -6.043 -0.840 -11.924 1.00 0.00 O ATOM 1053 CB GLN A 65 -7.042 0.426 -14.729 1.00 0.00 C ATOM 1054 CG GLN A 65 -6.989 1.634 -13.816 1.00 0.00 C ATOM 1055 CD GLN A 65 -6.768 2.936 -14.541 1.00 0.00 C ATOM 1056 OE1 GLN A 65 -6.117 3.865 -13.869 1.00 0.00 O flip ATOM 1057 NE2 GLN A 65 -7.175 3.104 -15.690 1.00 0.00 N flip ATOM 0 H GLN A 65 -8.642 0.099 -12.721 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.411 -1.693 -14.712 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -6.103 0.353 -15.278 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -7.832 0.571 -15.466 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.922 1.695 -13.255 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.189 1.493 -13.089 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.674 2.354 -16.169 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.013 3.993 -16.164 1.00 0.00 H new ATOM 1066 N PRO A 66 -5.114 -1.976 -13.618 1.00 0.00 N ATOM 1067 CA PRO A 66 -3.919 -2.359 -12.864 1.00 0.00 C ATOM 1068 C PRO A 66 -2.987 -1.167 -12.616 1.00 0.00 C ATOM 1069 O PRO A 66 -2.777 -0.327 -13.493 1.00 0.00 O ATOM 1070 CB PRO A 66 -3.247 -3.396 -13.766 1.00 0.00 C ATOM 1071 CG PRO A 66 -3.699 -3.049 -15.141 1.00 0.00 C ATOM 1072 CD PRO A 66 -5.091 -2.500 -14.998 1.00 0.00 C ATOM 0 HA PRO A 66 -4.162 -2.739 -11.872 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -2.161 -3.350 -13.682 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.545 -4.409 -13.495 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.035 -2.313 -15.595 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.691 -3.927 -15.787 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.290 -1.716 -15.729 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.845 -3.273 -15.146 1.00 0.00 H new ATOM 1080 N ILE A 67 -2.439 -1.090 -11.419 1.00 0.00 N ATOM 1081 CA ILE A 67 -1.554 0.002 -11.047 1.00 0.00 C ATOM 1082 C ILE A 67 -0.114 -0.334 -11.420 1.00 0.00 C ATOM 1083 O ILE A 67 0.272 -1.507 -11.467 1.00 0.00 O ATOM 1084 CB ILE A 67 -1.631 0.289 -9.526 1.00 0.00 C ATOM 1085 CG1 ILE A 67 -3.084 0.424 -9.069 1.00 0.00 C ATOM 1086 CG2 ILE A 67 -0.862 1.548 -9.181 1.00 0.00 C ATOM 1087 CD1 ILE A 67 -3.228 0.683 -7.585 1.00 0.00 C ATOM 0 H ILE A 67 -2.592 -1.776 -10.680 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.877 0.890 -11.590 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.180 -0.554 -9.003 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.556 1.238 -9.619 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.623 -0.488 -9.325 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.928 1.732 -8.109 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.183 1.425 -9.464 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.287 2.394 -9.721 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.285 0.768 -7.331 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.786 -0.142 -7.027 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.717 1.611 -7.326 1.00 0.00 H new ATOM 1099 N ASN A 68 0.688 0.686 -11.687 1.00 0.00 N ATOM 1100 CA ASN A 68 2.079 0.498 -12.048 1.00 0.00 C ATOM 1101 C ASN A 68 2.928 1.371 -11.174 1.00 0.00 C ATOM 1102 O ASN A 68 2.416 2.213 -10.441 1.00 0.00 O ATOM 1103 CB ASN A 68 2.345 0.899 -13.502 1.00 0.00 C ATOM 1104 CG ASN A 68 1.200 0.621 -14.426 1.00 0.00 C ATOM 1105 OD1 ASN A 68 1.090 -0.460 -14.991 1.00 0.00 O ATOM 1106 ND2 ASN A 68 0.349 1.604 -14.601 1.00 0.00 N ATOM 0 H ASN A 68 0.392 1.662 -11.659 1.00 0.00 H new ATOM 0 HA ASN A 68 2.317 -0.558 -11.921 1.00 0.00 H new ATOM 0 HB2 ASN A 68 2.579 1.963 -13.538 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.226 0.367 -13.860 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -0.445 1.485 -15.230 1.00 0.00 H new ATOM 0 HD22 ASN A 68 0.482 2.487 -14.108 1.00 0.00 H new ATOM 1113 N GLU A 69 4.226 1.206 -11.258 1.00 0.00 N ATOM 1114 CA GLU A 69 5.136 2.039 -10.502 1.00 0.00 C ATOM 1115 C GLU A 69 5.296 3.395 -11.186 1.00 0.00 C ATOM 1116 O GLU A 69 5.895 4.321 -10.644 1.00 0.00 O ATOM 1117 CB GLU A 69 6.485 1.338 -10.347 1.00 0.00 C ATOM 1118 CG GLU A 69 7.189 1.062 -11.663 1.00 0.00 C ATOM 1119 CD GLU A 69 8.193 -0.056 -11.552 1.00 0.00 C ATOM 1120 OE1 GLU A 69 9.354 0.209 -11.182 1.00 0.00 O ATOM 1121 OE2 GLU A 69 7.819 -1.215 -11.831 1.00 0.00 O ATOM 0 H GLU A 69 4.678 0.503 -11.842 1.00 0.00 H new ATOM 0 HA GLU A 69 4.725 2.207 -9.506 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.133 1.952 -9.721 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.335 0.395 -9.821 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.449 0.808 -12.422 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.693 1.968 -12.000 1.00 0.00 H new ATOM 1128 N THR A 70 4.742 3.498 -12.390 1.00 0.00 N ATOM 1129 CA THR A 70 4.798 4.712 -13.172 1.00 0.00 C ATOM 1130 C THR A 70 3.564 5.578 -12.934 1.00 0.00 C ATOM 1131 O THR A 70 3.429 6.671 -13.491 1.00 0.00 O ATOM 1132 CB THR A 70 4.921 4.380 -14.670 1.00 0.00 C ATOM 1133 OG1 THR A 70 3.919 3.414 -15.035 1.00 0.00 O ATOM 1134 CG2 THR A 70 6.299 3.816 -14.975 1.00 0.00 C ATOM 0 H THR A 70 4.242 2.735 -12.846 1.00 0.00 H new ATOM 0 HA THR A 70 5.678 5.272 -12.855 1.00 0.00 H new ATOM 0 HB THR A 70 4.777 5.295 -15.244 1.00 0.00 H new ATOM 0 HG1 THR A 70 3.998 3.205 -15.989 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.371 3.586 -16.038 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.060 4.551 -14.710 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.456 2.906 -14.396 1.00 0.00 H new ATOM 1142 N ASP A 71 2.652 5.089 -12.112 1.00 0.00 N ATOM 1143 CA ASP A 71 1.461 5.845 -11.784 1.00 0.00 C ATOM 1144 C ASP A 71 1.532 6.459 -10.392 1.00 0.00 C ATOM 1145 O ASP A 71 2.104 5.883 -9.468 1.00 0.00 O ATOM 1146 CB ASP A 71 0.216 4.989 -11.918 1.00 0.00 C ATOM 1147 CG ASP A 71 -0.370 5.075 -13.297 1.00 0.00 C ATOM 1148 OD1 ASP A 71 -0.954 6.122 -13.636 1.00 0.00 O ATOM 1149 OD2 ASP A 71 -0.234 4.107 -14.066 1.00 0.00 O ATOM 0 H ASP A 71 2.715 4.176 -11.662 1.00 0.00 H new ATOM 0 HA ASP A 71 1.403 6.663 -12.502 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.461 3.952 -11.691 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.526 5.309 -11.186 1.00 0.00 H new ATOM 1154 N THR A 72 0.976 7.651 -10.259 1.00 0.00 N ATOM 1155 CA THR A 72 0.896 8.338 -8.985 1.00 0.00 C ATOM 1156 C THR A 72 -0.558 8.415 -8.524 1.00 0.00 C ATOM 1157 O THR A 72 -1.475 8.326 -9.344 1.00 0.00 O ATOM 1158 CB THR A 72 1.475 9.765 -9.082 1.00 0.00 C ATOM 1159 OG1 THR A 72 1.366 10.252 -10.423 1.00 0.00 O ATOM 1160 CG2 THR A 72 2.922 9.800 -8.637 1.00 0.00 C ATOM 0 H THR A 72 0.566 8.170 -11.036 1.00 0.00 H new ATOM 0 HA THR A 72 1.485 7.772 -8.263 1.00 0.00 H new ATOM 0 HB THR A 72 0.898 10.408 -8.417 1.00 0.00 H new ATOM 0 HG1 THR A 72 1.000 11.161 -10.412 1.00 0.00 H new ATOM 0 HG21 THR A 72 3.303 10.818 -8.716 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.992 9.466 -7.602 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.514 9.141 -9.272 1.00 0.00 H new ATOM 1168 N PRO A 73 -0.793 8.593 -7.210 1.00 0.00 N ATOM 1169 CA PRO A 73 -2.153 8.676 -6.647 1.00 0.00 C ATOM 1170 C PRO A 73 -2.965 9.819 -7.264 1.00 0.00 C ATOM 1171 O PRO A 73 -4.194 9.754 -7.374 1.00 0.00 O ATOM 1172 CB PRO A 73 -1.907 8.947 -5.151 1.00 0.00 C ATOM 1173 CG PRO A 73 -0.490 9.412 -5.063 1.00 0.00 C ATOM 1174 CD PRO A 73 0.239 8.727 -6.167 1.00 0.00 C ATOM 0 HA PRO A 73 -2.730 7.772 -6.842 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.594 9.703 -4.770 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.063 8.046 -4.557 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.428 10.495 -5.168 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.057 9.161 -4.095 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.090 9.313 -6.514 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.626 7.757 -5.855 1.00 0.00 H new ATOM 1182 N ALA A 74 -2.267 10.852 -7.691 1.00 0.00 N ATOM 1183 CA ALA A 74 -2.893 12.028 -8.265 1.00 0.00 C ATOM 1184 C ALA A 74 -3.308 11.801 -9.721 1.00 0.00 C ATOM 1185 O ALA A 74 -4.029 12.610 -10.304 1.00 0.00 O ATOM 1186 CB ALA A 74 -1.941 13.195 -8.169 1.00 0.00 C ATOM 0 H ALA A 74 -1.249 10.901 -7.650 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.801 12.241 -7.701 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.407 14.081 -8.599 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.701 13.383 -7.123 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.027 12.965 -8.716 1.00 0.00 H new ATOM 1192 N GLN A 75 -2.863 10.704 -10.309 1.00 0.00 N ATOM 1193 CA GLN A 75 -3.178 10.408 -11.702 1.00 0.00 C ATOM 1194 C GLN A 75 -4.578 9.839 -11.852 1.00 0.00 C ATOM 1195 O GLN A 75 -5.292 10.152 -12.802 1.00 0.00 O ATOM 1196 CB GLN A 75 -2.157 9.444 -12.287 1.00 0.00 C ATOM 1197 CG GLN A 75 -0.797 10.066 -12.547 1.00 0.00 C ATOM 1198 CD GLN A 75 -0.883 11.372 -13.305 1.00 0.00 C ATOM 1199 OE1 GLN A 75 -0.891 11.391 -14.529 1.00 0.00 O ATOM 1200 NE2 GLN A 75 -0.925 12.475 -12.583 1.00 0.00 N ATOM 0 H GLN A 75 -2.283 10.003 -9.848 1.00 0.00 H new ATOM 0 HA GLN A 75 -3.137 11.348 -12.252 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -2.035 8.602 -11.605 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -2.546 9.043 -13.223 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.293 10.236 -11.596 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -0.184 9.364 -13.111 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -0.917 12.419 -11.565 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -0.966 13.384 -13.043 1.00 0.00 H new ATOM 1209 N LEU A 76 -4.975 8.997 -10.917 1.00 0.00 N ATOM 1210 CA LEU A 76 -6.301 8.395 -10.953 1.00 0.00 C ATOM 1211 C LEU A 76 -7.267 9.224 -10.130 1.00 0.00 C ATOM 1212 O LEU A 76 -8.447 8.889 -10.011 1.00 0.00 O ATOM 1213 CB LEU A 76 -6.269 6.951 -10.423 1.00 0.00 C ATOM 1214 CG LEU A 76 -4.894 6.283 -10.388 1.00 0.00 C ATOM 1215 CD1 LEU A 76 -4.197 6.588 -9.077 1.00 0.00 C ATOM 1216 CD2 LEU A 76 -5.020 4.782 -10.587 1.00 0.00 C ATOM 0 H LEU A 76 -4.402 8.712 -10.123 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.635 8.370 -11.990 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.680 6.946 -9.413 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.931 6.343 -11.040 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.294 6.685 -11.205 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.219 6.107 -9.064 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.072 7.666 -8.973 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.798 6.211 -8.249 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.030 4.327 -10.559 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.636 4.360 -9.793 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.484 4.581 -11.552 1.00 0.00 H new ATOM 1228 N GLU A 77 -6.751 10.320 -9.565 1.00 0.00 N ATOM 1229 CA GLU A 77 -7.523 11.222 -8.727 1.00 0.00 C ATOM 1230 C GLU A 77 -8.199 10.457 -7.589 1.00 0.00 C ATOM 1231 O GLU A 77 -9.396 10.602 -7.329 1.00 0.00 O ATOM 1232 CB GLU A 77 -8.551 11.987 -9.560 1.00 0.00 C ATOM 1233 CG GLU A 77 -9.138 13.168 -8.829 1.00 0.00 C ATOM 1234 CD GLU A 77 -10.168 13.915 -9.642 1.00 0.00 C ATOM 1235 OE1 GLU A 77 -11.362 13.527 -9.610 1.00 0.00 O ATOM 1236 OE2 GLU A 77 -9.798 14.893 -10.320 1.00 0.00 O ATOM 0 H GLU A 77 -5.778 10.602 -9.682 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.840 11.948 -8.286 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.080 12.333 -10.480 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -9.354 11.309 -9.848 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.596 12.823 -7.902 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.336 13.852 -8.553 1.00 0.00 H new ATOM 1243 N MET A 78 -7.429 9.640 -6.914 1.00 0.00 N ATOM 1244 CA MET A 78 -7.945 8.846 -5.823 1.00 0.00 C ATOM 1245 C MET A 78 -7.993 9.674 -4.543 1.00 0.00 C ATOM 1246 O MET A 78 -7.220 10.622 -4.368 1.00 0.00 O ATOM 1247 CB MET A 78 -7.090 7.598 -5.637 1.00 0.00 C ATOM 1248 CG MET A 78 -5.716 7.870 -5.065 1.00 0.00 C ATOM 1249 SD MET A 78 -4.489 6.651 -5.582 1.00 0.00 S ATOM 1250 CE MET A 78 -5.362 5.127 -5.269 1.00 0.00 C ATOM 0 H MET A 78 -6.435 9.506 -7.102 1.00 0.00 H new ATOM 0 HA MET A 78 -8.962 8.532 -6.059 1.00 0.00 H new ATOM 0 HB2 MET A 78 -7.615 6.906 -4.979 1.00 0.00 H new ATOM 0 HB3 MET A 78 -6.979 7.100 -6.600 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.388 8.862 -5.375 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.776 7.879 -3.977 1.00 0.00 H new ATOM 0 HE1 MET A 78 -4.664 4.291 -5.317 1.00 0.00 H new ATOM 0 HE2 MET A 78 -5.815 5.164 -4.278 1.00 0.00 H new ATOM 0 HE3 MET A 78 -6.141 4.993 -6.020 1.00 0.00 H new ATOM 1260 N GLU A 79 -8.894 9.325 -3.655 1.00 0.00 N ATOM 1261 CA GLU A 79 -9.086 10.064 -2.419 1.00 0.00 C ATOM 1262 C GLU A 79 -8.379 9.365 -1.279 1.00 0.00 C ATOM 1263 O GLU A 79 -7.973 8.207 -1.404 1.00 0.00 O ATOM 1264 CB GLU A 79 -10.578 10.139 -2.097 1.00 0.00 C ATOM 1265 CG GLU A 79 -11.162 8.793 -1.693 1.00 0.00 C ATOM 1266 CD GLU A 79 -12.653 8.815 -1.530 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -13.134 9.311 -0.491 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -13.361 8.318 -2.435 1.00 0.00 O ATOM 0 H GLU A 79 -9.516 8.524 -3.764 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.676 11.066 -2.543 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.736 10.855 -1.291 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.115 10.516 -2.968 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.897 8.050 -2.445 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.706 8.474 -0.756 1.00 0.00 H new ATOM 1275 N ASP A 80 -8.182 10.064 -0.174 1.00 0.00 N ATOM 1276 CA ASP A 80 -7.642 9.438 1.013 1.00 0.00 C ATOM 1277 C ASP A 80 -8.512 8.271 1.449 1.00 0.00 C ATOM 1278 O ASP A 80 -9.744 8.299 1.314 1.00 0.00 O ATOM 1279 CB ASP A 80 -7.496 10.441 2.165 1.00 0.00 C ATOM 1280 CG ASP A 80 -8.824 10.929 2.703 1.00 0.00 C ATOM 1281 OD1 ASP A 80 -9.487 11.742 2.020 1.00 0.00 O ATOM 1282 OD2 ASP A 80 -9.204 10.510 3.812 1.00 0.00 O ATOM 0 H ASP A 80 -8.387 11.058 -0.077 1.00 0.00 H new ATOM 0 HA ASP A 80 -6.649 9.066 0.760 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.933 9.976 2.974 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.914 11.296 1.822 1.00 0.00 H new ATOM 1287 N GLU A 81 -7.857 7.241 1.950 1.00 0.00 N ATOM 1288 CA GLU A 81 -8.497 6.019 2.411 1.00 0.00 C ATOM 1289 C GLU A 81 -9.102 5.233 1.265 1.00 0.00 C ATOM 1290 O GLU A 81 -9.974 4.390 1.473 1.00 0.00 O ATOM 1291 CB GLU A 81 -9.556 6.300 3.472 1.00 0.00 C ATOM 1292 CG GLU A 81 -8.996 6.812 4.775 1.00 0.00 C ATOM 1293 CD GLU A 81 -9.935 6.561 5.923 1.00 0.00 C ATOM 1294 OE1 GLU A 81 -10.059 5.388 6.348 1.00 0.00 O ATOM 1295 OE2 GLU A 81 -10.560 7.525 6.406 1.00 0.00 O ATOM 0 H GLU A 81 -6.842 7.228 2.051 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.713 5.412 2.864 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -10.264 7.031 3.080 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.116 5.385 3.663 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -8.040 6.328 4.975 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -8.801 7.881 4.692 1.00 0.00 H new ATOM 1302 N ASP A 82 -8.631 5.482 0.055 1.00 0.00 N ATOM 1303 CA ASP A 82 -9.145 4.759 -1.099 1.00 0.00 C ATOM 1304 C ASP A 82 -8.701 3.308 -1.042 1.00 0.00 C ATOM 1305 O ASP A 82 -7.687 2.987 -0.418 1.00 0.00 O ATOM 1306 CB ASP A 82 -8.719 5.410 -2.412 1.00 0.00 C ATOM 1307 CG ASP A 82 -9.907 5.636 -3.325 1.00 0.00 C ATOM 1308 OD1 ASP A 82 -10.728 4.704 -3.472 1.00 0.00 O ATOM 1309 OD2 ASP A 82 -10.040 6.745 -3.891 1.00 0.00 O ATOM 0 H ASP A 82 -7.905 6.168 -0.154 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.234 4.797 -1.064 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.229 6.362 -2.206 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -7.987 4.777 -2.914 1.00 0.00 H new ATOM 1314 N THR A 83 -9.444 2.424 -1.684 1.00 0.00 N ATOM 1315 CA THR A 83 -9.166 0.999 -1.598 1.00 0.00 C ATOM 1316 C THR A 83 -8.451 0.461 -2.835 1.00 0.00 C ATOM 1317 O THR A 83 -8.963 0.537 -3.956 1.00 0.00 O ATOM 1318 CB THR A 83 -10.459 0.192 -1.384 1.00 0.00 C ATOM 1319 OG1 THR A 83 -11.200 0.745 -0.287 1.00 0.00 O ATOM 1320 CG2 THR A 83 -10.135 -1.266 -1.089 1.00 0.00 C ATOM 0 H THR A 83 -10.243 2.666 -2.270 1.00 0.00 H new ATOM 0 HA THR A 83 -8.505 0.878 -0.740 1.00 0.00 H new ATOM 0 HB THR A 83 -11.055 0.245 -2.295 1.00 0.00 H new ATOM 0 HG1 THR A 83 -12.023 0.230 -0.155 1.00 0.00 H new ATOM 0 HG21 THR A 83 -11.061 -1.822 -0.940 1.00 0.00 H new ATOM 0 HG22 THR A 83 -9.586 -1.694 -1.928 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.526 -1.328 -0.187 1.00 0.00 H new ATOM 1328 N ILE A 84 -7.264 -0.081 -2.625 1.00 0.00 N ATOM 1329 CA ILE A 84 -6.506 -0.724 -3.679 1.00 0.00 C ATOM 1330 C ILE A 84 -6.863 -2.207 -3.723 1.00 0.00 C ATOM 1331 O ILE A 84 -6.961 -2.856 -2.684 1.00 0.00 O ATOM 1332 CB ILE A 84 -4.986 -0.604 -3.419 1.00 0.00 C ATOM 1333 CG1 ILE A 84 -4.588 0.855 -3.149 1.00 0.00 C ATOM 1334 CG2 ILE A 84 -4.204 -1.168 -4.595 1.00 0.00 C ATOM 1335 CD1 ILE A 84 -4.681 1.751 -4.346 1.00 0.00 C ATOM 0 H ILE A 84 -6.800 -0.087 -1.717 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.751 -0.234 -4.621 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.743 -1.186 -2.530 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.227 1.254 -2.361 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.565 0.877 -2.772 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.136 -1.077 -4.399 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.460 -2.219 -4.732 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.455 -0.613 -5.499 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.383 2.762 -4.068 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.021 1.381 -5.130 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.708 1.763 -4.712 1.00 0.00 H new ATOM 1347 N ASP A 85 -7.056 -2.746 -4.909 1.00 0.00 N ATOM 1348 CA ASP A 85 -7.379 -4.160 -5.053 1.00 0.00 C ATOM 1349 C ASP A 85 -6.151 -4.951 -5.450 1.00 0.00 C ATOM 1350 O ASP A 85 -5.554 -4.708 -6.483 1.00 0.00 O ATOM 1351 CB ASP A 85 -8.479 -4.372 -6.093 1.00 0.00 C ATOM 1352 CG ASP A 85 -8.881 -5.830 -6.219 1.00 0.00 C ATOM 1353 OD1 ASP A 85 -9.157 -6.474 -5.175 1.00 0.00 O ATOM 1354 OD2 ASP A 85 -8.941 -6.337 -7.362 1.00 0.00 O ATOM 0 H ASP A 85 -6.996 -2.232 -5.788 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.738 -4.514 -4.086 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -9.352 -3.779 -5.821 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.135 -4.007 -7.061 1.00 0.00 H new ATOM 1359 N VAL A 86 -5.759 -5.874 -4.621 1.00 0.00 N ATOM 1360 CA VAL A 86 -4.625 -6.721 -4.916 1.00 0.00 C ATOM 1361 C VAL A 86 -5.087 -8.132 -5.164 1.00 0.00 C ATOM 1362 O VAL A 86 -5.968 -8.642 -4.473 1.00 0.00 O ATOM 1363 CB VAL A 86 -3.581 -6.705 -3.775 1.00 0.00 C ATOM 1364 CG1 VAL A 86 -2.481 -7.729 -4.014 1.00 0.00 C ATOM 1365 CG2 VAL A 86 -2.978 -5.335 -3.662 1.00 0.00 C ATOM 0 H VAL A 86 -6.208 -6.065 -3.726 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.145 -6.328 -5.812 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.090 -6.965 -2.847 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.764 -7.691 -3.194 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.918 -8.726 -4.069 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.972 -7.504 -4.951 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.243 -5.326 -2.857 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.491 -5.073 -4.601 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.762 -4.609 -3.445 1.00 0.00 H new ATOM 1375 N PHE A 87 -4.483 -8.774 -6.130 1.00 0.00 N ATOM 1376 CA PHE A 87 -4.825 -10.128 -6.474 1.00 0.00 C ATOM 1377 C PHE A 87 -3.560 -10.929 -6.699 1.00 0.00 C ATOM 1378 O PHE A 87 -2.507 -10.369 -7.040 1.00 0.00 O ATOM 1379 CB PHE A 87 -5.755 -10.178 -7.694 1.00 0.00 C ATOM 1380 CG PHE A 87 -5.368 -9.246 -8.806 1.00 0.00 C ATOM 1381 CD1 PHE A 87 -5.847 -7.942 -8.833 1.00 0.00 C ATOM 1382 CD2 PHE A 87 -4.535 -9.670 -9.828 1.00 0.00 C ATOM 1383 CE1 PHE A 87 -5.498 -7.090 -9.849 1.00 0.00 C ATOM 1384 CE2 PHE A 87 -4.185 -8.817 -10.851 1.00 0.00 C ATOM 1385 CZ PHE A 87 -4.669 -7.522 -10.862 1.00 0.00 C ATOM 0 H PHE A 87 -3.739 -8.372 -6.701 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.375 -10.575 -5.646 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.774 -11.197 -8.080 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.769 -9.940 -7.373 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.501 -7.596 -8.046 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.156 -10.681 -9.823 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.874 -6.077 -9.856 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -3.534 -9.159 -11.642 1.00 0.00 H new ATOM 0 HZ PHE A 87 -4.398 -6.850 -11.663 1.00 0.00 H new ATOM 1395 N GLN A 88 -3.644 -12.225 -6.492 1.00 0.00 N ATOM 1396 CA GLN A 88 -2.487 -13.090 -6.602 1.00 0.00 C ATOM 1397 C GLN A 88 -2.245 -13.485 -8.055 1.00 0.00 C ATOM 1398 O GLN A 88 -3.077 -14.135 -8.684 1.00 0.00 O ATOM 1399 CB GLN A 88 -2.692 -14.343 -5.746 1.00 0.00 C ATOM 1400 CG GLN A 88 -1.409 -15.102 -5.419 1.00 0.00 C ATOM 1401 CD GLN A 88 -0.517 -14.388 -4.405 1.00 0.00 C ATOM 1402 OE1 GLN A 88 -1.112 -13.589 -3.535 1.00 0.00 O flip ATOM 1403 NE2 GLN A 88 0.700 -14.551 -4.414 1.00 0.00 N flip ATOM 0 H GLN A 88 -4.508 -12.707 -6.245 1.00 0.00 H new ATOM 0 HA GLN A 88 -1.613 -12.547 -6.243 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.177 -14.055 -4.813 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -3.375 -15.015 -6.266 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.668 -16.087 -5.032 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.845 -15.259 -6.339 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.126 -15.175 -5.099 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.285 -14.062 -3.736 1.00 0.00 H new ATOM 1412 N GLN A 89 -1.106 -13.093 -8.586 1.00 0.00 N ATOM 1413 CA GLN A 89 -0.730 -13.419 -9.950 1.00 0.00 C ATOM 1414 C GLN A 89 0.044 -14.727 -10.012 1.00 0.00 C ATOM 1415 O GLN A 89 0.733 -15.020 -10.990 1.00 0.00 O ATOM 1416 CB GLN A 89 0.070 -12.282 -10.581 1.00 0.00 C ATOM 1417 CG GLN A 89 -0.787 -11.107 -11.024 1.00 0.00 C ATOM 1418 CD GLN A 89 -1.733 -11.459 -12.169 1.00 0.00 C ATOM 1419 OE1 GLN A 89 -2.183 -12.601 -12.302 1.00 0.00 O ATOM 1420 NE2 GLN A 89 -2.043 -10.487 -12.998 1.00 0.00 N ATOM 0 H GLN A 89 -0.412 -12.538 -8.085 1.00 0.00 H new ATOM 0 HA GLN A 89 -1.647 -13.549 -10.525 1.00 0.00 H new ATOM 0 HB2 GLN A 89 0.812 -11.930 -9.864 1.00 0.00 H new ATOM 0 HB3 GLN A 89 0.616 -12.667 -11.442 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -1.370 -10.749 -10.175 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -0.139 -10.288 -11.334 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -1.653 -9.555 -12.859 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -2.673 -10.665 -13.780 1.00 0.00 H new ATOM 1429 N GLN A 90 -0.112 -15.536 -8.989 1.00 0.00 N ATOM 1430 CA GLN A 90 0.522 -16.835 -8.946 1.00 0.00 C ATOM 1431 C GLN A 90 -0.518 -17.902 -9.172 1.00 0.00 C ATOM 1432 O GLN A 90 -1.370 -18.151 -8.321 1.00 0.00 O ATOM 1433 CB GLN A 90 1.256 -17.075 -7.629 1.00 0.00 C ATOM 1434 CG GLN A 90 2.707 -16.653 -7.655 1.00 0.00 C ATOM 1435 CD GLN A 90 3.437 -17.130 -8.898 1.00 0.00 C ATOM 1436 OE1 GLN A 90 3.498 -16.422 -9.900 1.00 0.00 O ATOM 1437 NE2 GLN A 90 3.980 -18.327 -8.848 1.00 0.00 N ATOM 0 H GLN A 90 -0.677 -15.315 -8.169 1.00 0.00 H new ATOM 0 HA GLN A 90 1.272 -16.873 -9.736 1.00 0.00 H new ATOM 0 HB2 GLN A 90 0.744 -16.533 -6.834 1.00 0.00 H new ATOM 0 HB3 GLN A 90 1.200 -18.135 -7.380 1.00 0.00 H new ATOM 0 HG2 GLN A 90 2.765 -15.566 -7.600 1.00 0.00 H new ATOM 0 HG3 GLN A 90 3.210 -17.045 -6.771 1.00 0.00 H new ATOM 0 HE21 GLN A 90 3.908 -18.885 -7.997 1.00 0.00 H new ATOM 0 HE22 GLN A 90 4.473 -18.698 -9.660 1.00 0.00 H new ATOM 1446 N THR A 91 -0.477 -18.509 -10.327 1.00 0.00 N ATOM 1447 CA THR A 91 -1.430 -19.526 -10.678 1.00 0.00 C ATOM 1448 C THR A 91 -0.952 -20.898 -10.211 1.00 0.00 C ATOM 1449 O THR A 91 -0.103 -21.527 -10.843 1.00 0.00 O ATOM 1450 CB THR A 91 -1.665 -19.536 -12.198 1.00 0.00 C ATOM 1451 OG1 THR A 91 -1.938 -18.194 -12.644 1.00 0.00 O ATOM 1452 CG2 THR A 91 -2.836 -20.435 -12.559 1.00 0.00 C ATOM 0 H THR A 91 0.216 -18.313 -11.049 1.00 0.00 H new ATOM 0 HA THR A 91 -2.371 -19.300 -10.177 1.00 0.00 H new ATOM 0 HB THR A 91 -0.770 -19.920 -12.687 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.087 -18.195 -13.613 1.00 0.00 H new ATOM 0 HG21 THR A 91 -2.982 -20.426 -13.639 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.628 -21.453 -12.230 1.00 0.00 H new ATOM 0 HG23 THR A 91 -3.739 -20.072 -12.067 1.00 0.00 H new ATOM 1460 N GLY A 92 -1.470 -21.343 -9.083 1.00 0.00 N ATOM 1461 CA GLY A 92 -1.095 -22.629 -8.550 1.00 0.00 C ATOM 1462 C GLY A 92 -1.949 -23.018 -7.367 1.00 0.00 C ATOM 1463 O GLY A 92 -2.686 -22.187 -6.816 1.00 0.00 O ATOM 0 H GLY A 92 -2.150 -20.831 -8.522 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -1.187 -23.386 -9.329 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.047 -22.606 -8.250 1.00 0.00 H new ATOM 1467 N GLY A 93 -1.867 -24.272 -6.964 1.00 0.00 N ATOM 1468 CA GLY A 93 -2.641 -24.729 -5.833 1.00 0.00 C ATOM 1469 C GLY A 93 -1.847 -24.667 -4.548 1.00 0.00 C ATOM 1470 O GLY A 93 -0.626 -24.915 -4.589 1.00 0.00 O ATOM 1471 OXT GLY A 93 -2.432 -24.337 -3.501 1.00 0.00 O ATOM 0 H GLY A 93 -1.279 -24.983 -7.399 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.538 -24.118 -5.736 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.970 -25.753 -6.008 1.00 0.00 H new TER 1475 GLY A 93