USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 613 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 Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 9 SER OG : rot 180:sc= -0.0232 USER MOD Single : A 14 SER OG : rot 180:sc= 0.00581 USER MOD Single : A 18 GLN : amide:sc= -0.175 K(o=-0.17,f=-2.5!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN :FLIP amide:sc= 0.505 F(o=-0.34,f=0.51) USER MOD Single : A 31 THR OG1 : rot -57:sc= 0.658 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN :FLIP amide:sc= -0.857 F(o=-2.1,f=-0.86) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -167:sc= -0.347 (180deg=-0.702) USER MOD Single : A 55 THR OG1 : rot -67:sc= 1.15 USER MOD Single : A 60 GLN :FLIP amide:sc= -0.842 F(o=-3,f=-0.84) USER MOD Single : A 62 HIS : no HE2:sc= -9.3! C(o=-9.3!,f=-16!) USER MOD Single : A 64 LYS NZ :NH3+ -151:sc= -0.0972 (180deg=-0.608) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HD1:sc= -0.0513 X(o=-0.051,f=-0.051) USER MOD Single : A 71 SER OG : rot 180:sc= 0.00318 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0843) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -13.605 -33.394 10.041 1.00 0.00 N ATOM 2 CA SER A 1 -12.670 -32.268 9.755 1.00 0.00 C ATOM 3 C SER A 1 -12.352 -32.239 8.263 1.00 0.00 C ATOM 4 O SER A 1 -11.584 -33.061 7.762 1.00 0.00 O ATOM 5 CB SER A 1 -11.379 -32.463 10.548 1.00 0.00 C ATOM 6 OG SER A 1 -10.465 -31.425 10.220 1.00 0.00 O ATOM 0 H1 SER A 1 -13.823 -33.415 11.058 1.00 0.00 H new ATOM 0 H2 SER A 1 -14.484 -33.261 9.501 1.00 0.00 H new ATOM 0 H3 SER A 1 -13.161 -34.293 9.763 1.00 0.00 H new ATOM 0 HA SER A 1 -13.135 -31.326 10.046 1.00 0.00 H new ATOM 0 HB2 SER A 1 -11.590 -32.453 11.617 1.00 0.00 H new ATOM 0 HB3 SER A 1 -10.941 -33.435 10.319 1.00 0.00 H new ATOM 0 HG SER A 1 -9.636 -31.546 10.728 1.00 0.00 H new ATOM 14 N LYS A 2 -12.952 -31.282 7.561 1.00 0.00 N ATOM 15 CA LYS A 2 -12.727 -31.151 6.124 1.00 0.00 C ATOM 16 C LYS A 2 -13.466 -29.933 5.578 1.00 0.00 C ATOM 17 O LYS A 2 -14.633 -30.015 5.198 1.00 0.00 O ATOM 18 CB LYS A 2 -13.216 -32.400 5.388 1.00 0.00 C ATOM 19 CG LYS A 2 -12.350 -32.635 4.149 1.00 0.00 C ATOM 20 CD LYS A 2 -12.245 -34.137 3.875 1.00 0.00 C ATOM 21 CE LYS A 2 -13.608 -34.671 3.428 1.00 0.00 C ATOM 22 NZ LYS A 2 -13.493 -36.123 3.113 1.00 0.00 N ATOM 0 H LYS A 2 -13.591 -30.593 7.958 1.00 0.00 H new ATOM 0 HA LYS A 2 -11.656 -31.031 5.962 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -13.168 -33.266 6.048 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -14.260 -32.279 5.098 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.784 -32.127 3.288 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -11.357 -32.212 4.301 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -11.498 -34.325 3.104 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.915 -34.659 4.773 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -14.347 -34.516 4.214 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.955 -34.124 2.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.419 -36.487 2.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -12.800 -36.259 2.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.180 -36.638 3.960 1.00 0.00 H new ATOM 36 N SER A 3 -12.769 -28.800 5.544 1.00 0.00 N ATOM 37 CA SER A 3 -13.365 -27.566 5.043 1.00 0.00 C ATOM 38 C SER A 3 -12.288 -26.645 4.478 1.00 0.00 C ATOM 39 O SER A 3 -11.493 -26.067 5.221 1.00 0.00 O ATOM 40 CB SER A 3 -14.106 -26.836 6.163 1.00 0.00 C ATOM 41 OG SER A 3 -14.881 -25.782 5.605 1.00 0.00 O ATOM 0 H SER A 3 -11.801 -28.711 5.854 1.00 0.00 H new ATOM 0 HA SER A 3 -14.069 -27.829 4.254 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.750 -27.531 6.701 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.394 -26.436 6.885 1.00 0.00 H new ATOM 0 HG SER A 3 -15.359 -25.313 6.321 1.00 0.00 H new ATOM 47 N MET A 4 -12.269 -26.518 3.155 1.00 0.00 N ATOM 48 CA MET A 4 -11.284 -25.664 2.495 1.00 0.00 C ATOM 49 C MET A 4 -11.570 -25.578 1.000 1.00 0.00 C ATOM 50 O MET A 4 -12.177 -26.476 0.416 1.00 0.00 O ATOM 51 CB MET A 4 -9.872 -26.219 2.702 1.00 0.00 C ATOM 52 CG MET A 4 -9.826 -27.678 2.248 1.00 0.00 C ATOM 53 SD MET A 4 -8.134 -28.108 1.770 1.00 0.00 S ATOM 54 CE MET A 4 -8.140 -29.799 2.413 1.00 0.00 C ATOM 0 H MET A 4 -12.916 -26.989 2.523 1.00 0.00 H new ATOM 0 HA MET A 4 -11.352 -24.669 2.935 1.00 0.00 H new ATOM 0 HB2 MET A 4 -9.151 -25.628 2.137 1.00 0.00 H new ATOM 0 HB3 MET A 4 -9.591 -26.145 3.753 1.00 0.00 H new ATOM 0 HG2 MET A 4 -10.165 -28.331 3.052 1.00 0.00 H new ATOM 0 HG3 MET A 4 -10.503 -27.830 1.407 1.00 0.00 H new ATOM 0 HE1 MET A 4 -7.173 -30.264 2.223 1.00 0.00 H new ATOM 0 HE2 MET A 4 -8.328 -29.779 3.486 1.00 0.00 H new ATOM 0 HE3 MET A 4 -8.923 -30.374 1.918 1.00 0.00 H new ATOM 64 N GLN A 5 -11.126 -24.485 0.387 1.00 0.00 N ATOM 65 CA GLN A 5 -11.338 -24.286 -1.045 1.00 0.00 C ATOM 66 C GLN A 5 -10.089 -23.695 -1.693 1.00 0.00 C ATOM 67 O GLN A 5 -9.447 -24.329 -2.529 1.00 0.00 O ATOM 68 CB GLN A 5 -12.518 -23.344 -1.285 1.00 0.00 C ATOM 69 CG GLN A 5 -13.163 -23.667 -2.634 1.00 0.00 C ATOM 70 CD GLN A 5 -13.814 -22.410 -3.202 1.00 0.00 C ATOM 71 OE1 GLN A 5 -13.297 -21.806 -4.142 1.00 0.00 O ATOM 72 NE2 GLN A 5 -14.930 -21.977 -2.682 1.00 0.00 N ATOM 0 H GLN A 5 -10.622 -23.730 0.852 1.00 0.00 H new ATOM 0 HA GLN A 5 -11.553 -25.257 -1.491 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -13.251 -23.451 -0.485 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -12.179 -22.308 -1.271 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -12.411 -24.045 -3.327 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -13.909 -24.453 -2.513 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -15.358 -22.478 -1.903 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -15.374 -21.138 -3.054 1.00 0.00 H new ATOM 81 N VAL A 6 -9.755 -22.470 -1.296 1.00 0.00 N ATOM 82 CA VAL A 6 -8.579 -21.797 -1.844 1.00 0.00 C ATOM 83 C VAL A 6 -7.807 -21.075 -0.735 1.00 0.00 C ATOM 84 O VAL A 6 -8.352 -20.823 0.341 1.00 0.00 O ATOM 85 CB VAL A 6 -8.994 -20.780 -2.908 1.00 0.00 C ATOM 86 CG1 VAL A 6 -9.592 -21.512 -4.110 1.00 0.00 C ATOM 87 CG2 VAL A 6 -10.035 -19.826 -2.322 1.00 0.00 C ATOM 0 H VAL A 6 -10.274 -21.928 -0.605 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.938 -22.554 -2.296 1.00 0.00 H new ATOM 0 HB VAL A 6 -8.120 -20.213 -3.228 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -9.887 -20.786 -4.868 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -8.850 -22.192 -4.528 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -10.466 -22.081 -3.792 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -10.331 -19.101 -3.080 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -10.909 -20.393 -2.001 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.608 -19.303 -1.466 1.00 0.00 H new ATOM 97 N PRO A 7 -6.529 -20.733 -0.976 1.00 0.00 N ATOM 98 CA PRO A 7 -5.705 -20.038 0.028 1.00 0.00 C ATOM 99 C PRO A 7 -5.909 -18.525 0.013 1.00 0.00 C ATOM 100 O PRO A 7 -6.860 -18.019 -0.583 1.00 0.00 O ATOM 101 CB PRO A 7 -4.291 -20.397 -0.415 1.00 0.00 C ATOM 102 CG PRO A 7 -4.357 -20.733 -1.902 1.00 0.00 C ATOM 103 CD PRO A 7 -5.824 -21.010 -2.249 1.00 0.00 C ATOM 0 HA PRO A 7 -5.949 -20.333 1.049 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -3.609 -19.565 -0.238 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -3.913 -21.246 0.155 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -3.972 -19.906 -2.499 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -3.740 -21.603 -2.126 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -6.177 -20.365 -3.054 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.973 -22.039 -2.577 1.00 0.00 H new ATOM 111 N PHE A 8 -5.005 -17.811 0.677 1.00 0.00 N ATOM 112 CA PHE A 8 -5.092 -16.354 0.737 1.00 0.00 C ATOM 113 C PHE A 8 -4.223 -15.723 -0.347 1.00 0.00 C ATOM 114 O PHE A 8 -4.628 -14.765 -1.007 1.00 0.00 O ATOM 115 CB PHE A 8 -4.633 -15.844 2.105 1.00 0.00 C ATOM 116 CG PHE A 8 -5.814 -15.781 3.042 1.00 0.00 C ATOM 117 CD1 PHE A 8 -6.643 -14.652 3.049 1.00 0.00 C ATOM 118 CD2 PHE A 8 -6.082 -16.851 3.906 1.00 0.00 C ATOM 119 CE1 PHE A 8 -7.739 -14.594 3.918 1.00 0.00 C ATOM 120 CE2 PHE A 8 -7.178 -16.791 4.776 1.00 0.00 C ATOM 121 CZ PHE A 8 -8.006 -15.663 4.781 1.00 0.00 C ATOM 0 H PHE A 8 -4.211 -18.212 1.177 1.00 0.00 H new ATOM 0 HA PHE A 8 -6.133 -16.073 0.577 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.867 -16.504 2.512 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.182 -14.857 2.004 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -6.437 -13.826 2.384 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.443 -17.722 3.901 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -8.379 -13.724 3.922 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -7.384 -17.615 5.443 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.852 -15.617 5.451 1.00 0.00 H new ATOM 131 N SER A 9 -3.023 -16.271 -0.523 1.00 0.00 N ATOM 132 CA SER A 9 -2.098 -15.755 -1.532 1.00 0.00 C ATOM 133 C SER A 9 -1.752 -14.295 -1.244 1.00 0.00 C ATOM 134 O SER A 9 -2.066 -13.769 -0.177 1.00 0.00 O ATOM 135 CB SER A 9 -2.716 -15.859 -2.929 1.00 0.00 C ATOM 136 OG SER A 9 -3.569 -16.995 -2.981 1.00 0.00 O ATOM 0 H SER A 9 -2.670 -17.064 0.013 1.00 0.00 H new ATOM 0 HA SER A 9 -1.189 -16.356 -1.494 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.280 -14.955 -3.158 1.00 0.00 H new ATOM 0 HB3 SER A 9 -1.932 -15.944 -3.681 1.00 0.00 H new ATOM 0 HG SER A 9 -3.968 -17.064 -3.873 1.00 0.00 H new ATOM 142 N ARG A 10 -1.103 -13.645 -2.207 1.00 0.00 N ATOM 143 CA ARG A 10 -0.720 -12.246 -2.046 1.00 0.00 C ATOM 144 C ARG A 10 -1.394 -11.386 -3.109 1.00 0.00 C ATOM 145 O ARG A 10 -2.178 -11.878 -3.921 1.00 0.00 O ATOM 146 CB ARG A 10 0.798 -12.085 -2.168 1.00 0.00 C ATOM 147 CG ARG A 10 1.487 -12.833 -1.023 1.00 0.00 C ATOM 148 CD ARG A 10 1.840 -11.851 0.096 1.00 0.00 C ATOM 149 NE ARG A 10 1.893 -12.539 1.388 1.00 0.00 N ATOM 150 CZ ARG A 10 2.516 -12.011 2.453 1.00 0.00 C ATOM 151 NH1 ARG A 10 3.108 -10.843 2.384 1.00 0.00 N ATOM 152 NH2 ARG A 10 2.532 -12.673 3.578 1.00 0.00 N ATOM 0 H ARG A 10 -0.834 -14.060 -3.099 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.040 -11.923 -1.055 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.139 -12.474 -3.127 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.065 -11.029 -2.139 1.00 0.00 H new ATOM 0 HG2 ARG A 10 0.831 -13.615 -0.640 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.389 -13.324 -1.387 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.802 -11.384 -0.113 1.00 0.00 H new ATOM 0 HD3 ARG A 10 1.099 -11.052 0.133 1.00 0.00 H new ATOM 0 HE ARG A 10 1.442 -13.449 1.481 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.100 -10.318 1.509 1.00 0.00 H new ATOM 0 HH12 ARG A 10 3.576 -10.459 3.205 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.074 -13.582 3.641 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.003 -12.281 4.394 1.00 0.00 H new ATOM 166 N CYS A 11 -1.079 -10.094 -3.098 1.00 0.00 N ATOM 167 CA CYS A 11 -1.661 -9.172 -4.073 1.00 0.00 C ATOM 168 C CYS A 11 -1.141 -9.498 -5.470 1.00 0.00 C ATOM 169 O CYS A 11 -1.896 -9.881 -6.362 1.00 0.00 O ATOM 170 CB CYS A 11 -1.301 -7.715 -3.749 1.00 0.00 C ATOM 171 SG CYS A 11 -1.593 -7.349 -1.999 1.00 0.00 S ATOM 0 H CYS A 11 -0.433 -9.664 -2.435 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.744 -9.289 -4.031 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -0.254 -7.532 -3.993 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -1.895 -7.043 -4.369 1.00 0.00 H new ATOM 176 N CYS A 12 0.166 -9.335 -5.637 1.00 0.00 N ATOM 177 CA CYS A 12 0.819 -9.604 -6.919 1.00 0.00 C ATOM 178 C CYS A 12 1.983 -10.574 -6.730 1.00 0.00 C ATOM 179 O CYS A 12 2.232 -11.060 -5.627 1.00 0.00 O ATOM 180 CB CYS A 12 1.373 -8.307 -7.515 1.00 0.00 C ATOM 181 SG CYS A 12 0.014 -7.197 -7.964 1.00 0.00 S ATOM 0 H CYS A 12 0.798 -9.018 -4.902 1.00 0.00 H new ATOM 0 HA CYS A 12 0.076 -10.038 -7.588 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.029 -7.818 -6.795 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.976 -8.531 -8.395 1.00 0.00 H new ATOM 186 N PHE A 13 2.706 -10.832 -7.818 1.00 0.00 N ATOM 187 CA PHE A 13 3.862 -11.724 -7.762 1.00 0.00 C ATOM 188 C PHE A 13 5.118 -10.908 -7.469 1.00 0.00 C ATOM 189 O PHE A 13 5.902 -11.239 -6.579 1.00 0.00 O ATOM 190 CB PHE A 13 4.037 -12.463 -9.099 1.00 0.00 C ATOM 191 CG PHE A 13 3.661 -13.919 -8.936 1.00 0.00 C ATOM 192 CD1 PHE A 13 2.323 -14.281 -8.741 1.00 0.00 C ATOM 193 CD2 PHE A 13 4.654 -14.905 -8.982 1.00 0.00 C ATOM 194 CE1 PHE A 13 1.978 -15.629 -8.592 1.00 0.00 C ATOM 195 CE2 PHE A 13 4.309 -16.254 -8.834 1.00 0.00 C ATOM 196 CZ PHE A 13 2.971 -16.616 -8.638 1.00 0.00 C ATOM 0 H PHE A 13 2.515 -10.441 -8.740 1.00 0.00 H new ATOM 0 HA PHE A 13 3.701 -12.457 -6.972 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.413 -12.001 -9.864 1.00 0.00 H new ATOM 0 HB3 PHE A 13 5.070 -12.381 -9.437 1.00 0.00 H new ATOM 0 HD1 PHE A 13 1.557 -13.520 -8.706 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.686 -14.625 -9.132 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.946 -15.909 -8.441 1.00 0.00 H new ATOM 0 HE2 PHE A 13 5.075 -17.015 -8.871 1.00 0.00 H new ATOM 0 HZ PHE A 13 2.704 -17.656 -8.522 1.00 0.00 H new ATOM 206 N SER A 14 5.290 -9.828 -8.228 1.00 0.00 N ATOM 207 CA SER A 14 6.443 -8.951 -8.050 1.00 0.00 C ATOM 208 C SER A 14 5.984 -7.585 -7.552 1.00 0.00 C ATOM 209 O SER A 14 5.094 -6.965 -8.133 1.00 0.00 O ATOM 210 CB SER A 14 7.193 -8.776 -9.369 1.00 0.00 C ATOM 211 OG SER A 14 6.278 -8.900 -10.449 1.00 0.00 O ATOM 0 H SER A 14 4.649 -9.541 -8.968 1.00 0.00 H new ATOM 0 HA SER A 14 7.110 -9.406 -7.318 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.678 -7.800 -9.398 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.980 -9.526 -9.456 1.00 0.00 H new ATOM 0 HG SER A 14 6.756 -8.786 -11.297 1.00 0.00 H new ATOM 217 N PHE A 15 6.586 -7.129 -6.457 1.00 0.00 N ATOM 218 CA PHE A 15 6.213 -5.839 -5.878 1.00 0.00 C ATOM 219 C PHE A 15 7.179 -4.739 -6.308 1.00 0.00 C ATOM 220 O PHE A 15 8.073 -4.956 -7.127 1.00 0.00 O ATOM 221 CB PHE A 15 6.194 -5.933 -4.344 1.00 0.00 C ATOM 222 CG PHE A 15 5.157 -6.943 -3.852 1.00 0.00 C ATOM 223 CD1 PHE A 15 4.256 -7.572 -4.735 1.00 0.00 C ATOM 224 CD2 PHE A 15 5.109 -7.252 -2.488 1.00 0.00 C ATOM 225 CE1 PHE A 15 3.327 -8.492 -4.253 1.00 0.00 C ATOM 226 CE2 PHE A 15 4.171 -8.177 -2.007 1.00 0.00 C ATOM 227 CZ PHE A 15 3.281 -8.796 -2.890 1.00 0.00 C ATOM 0 H PHE A 15 7.324 -7.625 -5.957 1.00 0.00 H new ATOM 0 HA PHE A 15 5.217 -5.586 -6.242 1.00 0.00 H new ATOM 0 HB2 PHE A 15 7.182 -6.222 -3.985 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.975 -4.952 -3.922 1.00 0.00 H new ATOM 0 HD1 PHE A 15 4.286 -7.340 -5.789 1.00 0.00 H new ATOM 0 HD2 PHE A 15 5.796 -6.777 -1.804 1.00 0.00 H new ATOM 0 HE1 PHE A 15 2.640 -8.972 -4.935 1.00 0.00 H new ATOM 0 HE2 PHE A 15 4.136 -8.411 -0.953 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.559 -9.508 -2.519 1.00 0.00 H new ATOM 237 N ALA A 16 6.976 -3.550 -5.748 1.00 0.00 N ATOM 238 CA ALA A 16 7.815 -2.397 -6.072 1.00 0.00 C ATOM 239 C ALA A 16 8.992 -2.278 -5.101 1.00 0.00 C ATOM 240 O ALA A 16 9.310 -1.191 -4.618 1.00 0.00 O ATOM 241 CB ALA A 16 6.981 -1.117 -5.998 1.00 0.00 C ATOM 0 H ALA A 16 6.240 -3.358 -5.069 1.00 0.00 H new ATOM 0 HA ALA A 16 8.205 -2.538 -7.080 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.609 -0.259 -6.240 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.158 -1.177 -6.711 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.581 -1.001 -4.991 1.00 0.00 H new ATOM 247 N GLU A 17 9.639 -3.403 -4.817 1.00 0.00 N ATOM 248 CA GLU A 17 10.773 -3.398 -3.899 1.00 0.00 C ATOM 249 C GLU A 17 12.082 -3.593 -4.655 1.00 0.00 C ATOM 250 O GLU A 17 12.951 -4.366 -4.247 1.00 0.00 O ATOM 251 CB GLU A 17 10.614 -4.507 -2.861 1.00 0.00 C ATOM 252 CG GLU A 17 10.453 -5.854 -3.567 1.00 0.00 C ATOM 253 CD GLU A 17 10.821 -6.980 -2.605 1.00 0.00 C ATOM 254 OE1 GLU A 17 11.925 -6.953 -2.089 1.00 0.00 O ATOM 255 OE2 GLU A 17 9.993 -7.853 -2.401 1.00 0.00 O ATOM 0 H GLU A 17 9.403 -4.317 -5.202 1.00 0.00 H new ATOM 0 HA GLU A 17 10.798 -2.431 -3.397 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.484 -4.531 -2.204 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.746 -4.309 -2.233 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.426 -5.976 -3.911 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.091 -5.892 -4.450 1.00 0.00 H new ATOM 262 N GLN A 18 12.215 -2.880 -5.764 1.00 0.00 N ATOM 263 CA GLN A 18 13.427 -2.983 -6.574 1.00 0.00 C ATOM 264 C GLN A 18 13.509 -1.860 -7.608 1.00 0.00 C ATOM 265 O GLN A 18 12.769 -1.845 -8.591 1.00 0.00 O ATOM 266 CB GLN A 18 13.468 -4.328 -7.301 1.00 0.00 C ATOM 267 CG GLN A 18 12.193 -4.502 -8.129 1.00 0.00 C ATOM 268 CD GLN A 18 11.940 -5.987 -8.371 1.00 0.00 C ATOM 269 OE1 GLN A 18 12.394 -6.834 -7.602 1.00 0.00 O ATOM 270 NE2 GLN A 18 11.231 -6.356 -9.403 1.00 0.00 N ATOM 0 H GLN A 18 11.513 -2.233 -6.122 1.00 0.00 H new ATOM 0 HA GLN A 18 14.277 -2.899 -5.896 1.00 0.00 H new ATOM 0 HB2 GLN A 18 14.344 -4.377 -7.948 1.00 0.00 H new ATOM 0 HB3 GLN A 18 13.559 -5.140 -6.580 1.00 0.00 H new ATOM 0 HG2 GLN A 18 11.345 -4.058 -7.607 1.00 0.00 H new ATOM 0 HG3 GLN A 18 12.291 -3.979 -9.081 1.00 0.00 H new ATOM 0 HE21 GLN A 18 10.855 -5.654 -10.040 1.00 0.00 H new ATOM 0 HE22 GLN A 18 11.053 -7.346 -9.572 1.00 0.00 H new ATOM 279 N GLU A 19 14.446 -0.934 -7.382 1.00 0.00 N ATOM 280 CA GLU A 19 14.665 0.192 -8.301 1.00 0.00 C ATOM 281 C GLU A 19 13.496 1.177 -8.296 1.00 0.00 C ATOM 282 O GLU A 19 13.664 2.336 -7.919 1.00 0.00 O ATOM 283 CB GLU A 19 14.880 -0.311 -9.733 1.00 0.00 C ATOM 284 CG GLU A 19 15.785 0.666 -10.487 1.00 0.00 C ATOM 285 CD GLU A 19 15.912 0.223 -11.941 1.00 0.00 C ATOM 286 OE1 GLU A 19 16.508 -0.815 -12.173 1.00 0.00 O ATOM 287 OE2 GLU A 19 15.411 0.930 -12.800 1.00 0.00 O ATOM 0 H GLU A 19 15.066 -0.940 -6.572 1.00 0.00 H new ATOM 0 HA GLU A 19 15.557 0.711 -7.949 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.331 -1.303 -9.717 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.922 -0.405 -10.245 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.372 1.673 -10.437 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.769 0.702 -10.019 1.00 0.00 H new ATOM 294 N ILE A 20 12.325 0.694 -8.747 1.00 0.00 N ATOM 295 CA ILE A 20 11.081 1.498 -8.846 1.00 0.00 C ATOM 296 C ILE A 20 11.046 2.712 -7.883 1.00 0.00 C ATOM 297 O ILE A 20 10.515 2.628 -6.775 1.00 0.00 O ATOM 298 CB ILE A 20 9.870 0.588 -8.587 1.00 0.00 C ATOM 299 CG1 ILE A 20 8.567 1.380 -8.751 1.00 0.00 C ATOM 300 CG2 ILE A 20 9.945 0.011 -7.172 1.00 0.00 C ATOM 301 CD1 ILE A 20 7.398 0.411 -8.935 1.00 0.00 C ATOM 0 H ILE A 20 12.208 -0.271 -9.057 1.00 0.00 H new ATOM 0 HA ILE A 20 11.049 1.911 -9.854 1.00 0.00 H new ATOM 0 HB ILE A 20 9.884 -0.227 -9.311 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.398 2.007 -7.876 1.00 0.00 H new ATOM 0 HG13 ILE A 20 8.640 2.046 -9.611 1.00 0.00 H new ATOM 0 HG21 ILE A 20 9.083 -0.633 -6.996 1.00 0.00 H new ATOM 0 HG22 ILE A 20 10.861 -0.570 -7.064 1.00 0.00 H new ATOM 0 HG23 ILE A 20 9.944 0.825 -6.447 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.473 0.975 -9.051 1.00 0.00 H new ATOM 0 HD12 ILE A 20 7.566 -0.198 -9.824 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.321 -0.236 -8.061 1.00 0.00 H new ATOM 313 N PRO A 21 11.610 3.860 -8.309 1.00 0.00 N ATOM 314 CA PRO A 21 11.634 5.085 -7.489 1.00 0.00 C ATOM 315 C PRO A 21 10.385 5.954 -7.679 1.00 0.00 C ATOM 316 O PRO A 21 9.371 5.496 -8.200 1.00 0.00 O ATOM 317 CB PRO A 21 12.879 5.790 -8.019 1.00 0.00 C ATOM 318 CG PRO A 21 13.125 5.269 -9.434 1.00 0.00 C ATOM 319 CD PRO A 21 12.266 4.015 -9.625 1.00 0.00 C ATOM 0 HA PRO A 21 11.649 4.879 -6.419 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.736 6.870 -8.026 1.00 0.00 H new ATOM 0 HB3 PRO A 21 13.738 5.587 -7.379 1.00 0.00 H new ATOM 0 HG2 PRO A 21 12.863 6.028 -10.172 1.00 0.00 H new ATOM 0 HG3 PRO A 21 14.180 5.035 -9.577 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.538 4.142 -10.427 1.00 0.00 H new ATOM 0 HD3 PRO A 21 12.872 3.145 -9.879 1.00 0.00 H new ATOM 327 N LEU A 22 10.469 7.211 -7.239 1.00 0.00 N ATOM 328 CA LEU A 22 9.333 8.134 -7.352 1.00 0.00 C ATOM 329 C LEU A 22 9.135 8.624 -8.783 1.00 0.00 C ATOM 330 O LEU A 22 8.010 8.900 -9.199 1.00 0.00 O ATOM 331 CB LEU A 22 9.521 9.348 -6.436 1.00 0.00 C ATOM 332 CG LEU A 22 9.114 9.154 -4.971 1.00 0.00 C ATOM 333 CD1 LEU A 22 7.648 8.722 -4.899 1.00 0.00 C ATOM 334 CD2 LEU A 22 9.992 8.083 -4.323 1.00 0.00 C ATOM 0 H LEU A 22 11.301 7.612 -6.806 1.00 0.00 H new ATOM 0 HA LEU A 22 8.448 7.575 -7.048 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.570 9.641 -6.465 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.947 10.179 -6.845 1.00 0.00 H new ATOM 0 HG LEU A 22 9.244 10.096 -4.438 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.360 8.584 -3.857 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.020 9.490 -5.351 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.518 7.784 -5.438 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.697 7.951 -3.282 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.870 7.141 -4.857 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.036 8.393 -4.367 1.00 0.00 H new ATOM 346 N ARG A 23 10.223 8.736 -9.538 1.00 0.00 N ATOM 347 CA ARG A 23 10.117 9.202 -10.921 1.00 0.00 C ATOM 348 C ARG A 23 9.243 8.258 -11.757 1.00 0.00 C ATOM 349 O ARG A 23 8.775 8.628 -12.834 1.00 0.00 O ATOM 350 CB ARG A 23 11.500 9.321 -11.570 1.00 0.00 C ATOM 351 CG ARG A 23 12.213 7.970 -11.524 1.00 0.00 C ATOM 352 CD ARG A 23 13.039 7.783 -12.797 1.00 0.00 C ATOM 353 NE ARG A 23 14.242 6.994 -12.521 1.00 0.00 N ATOM 354 CZ ARG A 23 15.133 6.691 -13.476 1.00 0.00 C ATOM 355 NH1 ARG A 23 14.964 7.092 -14.714 1.00 0.00 N ATOM 356 NH2 ARG A 23 16.187 5.986 -13.170 1.00 0.00 N ATOM 0 H ARG A 23 11.169 8.517 -9.227 1.00 0.00 H new ATOM 0 HA ARG A 23 9.651 10.187 -10.894 1.00 0.00 H new ATOM 0 HB2 ARG A 23 11.399 9.654 -12.603 1.00 0.00 H new ATOM 0 HB3 ARG A 23 12.093 10.073 -11.049 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.859 7.918 -10.648 1.00 0.00 H new ATOM 0 HG3 ARG A 23 11.484 7.165 -11.430 1.00 0.00 H new ATOM 0 HD2 ARG A 23 12.437 7.285 -13.557 1.00 0.00 H new ATOM 0 HD3 ARG A 23 13.320 8.756 -13.200 1.00 0.00 H new ATOM 0 HE ARG A 23 14.407 6.664 -11.570 1.00 0.00 H new ATOM 0 HH11 ARG A 23 14.144 7.644 -14.964 1.00 0.00 H new ATOM 0 HH12 ARG A 23 15.653 6.851 -15.427 1.00 0.00 H new ATOM 0 HH21 ARG A 23 16.328 5.670 -12.211 1.00 0.00 H new ATOM 0 HH22 ARG A 23 16.870 5.751 -13.890 1.00 0.00 H new ATOM 370 N ALA A 24 9.022 7.039 -11.256 1.00 0.00 N ATOM 371 CA ALA A 24 8.199 6.070 -11.975 1.00 0.00 C ATOM 372 C ALA A 24 6.827 5.932 -11.316 1.00 0.00 C ATOM 373 O ALA A 24 5.837 5.612 -11.974 1.00 0.00 O ATOM 374 CB ALA A 24 8.879 4.700 -11.991 1.00 0.00 C ATOM 0 H ALA A 24 9.397 6.706 -10.368 1.00 0.00 H new ATOM 0 HA ALA A 24 8.076 6.431 -12.996 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.253 3.989 -12.530 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.847 4.780 -12.486 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.023 4.353 -10.968 1.00 0.00 H new ATOM 380 N ILE A 25 6.781 6.173 -10.007 1.00 0.00 N ATOM 381 CA ILE A 25 5.532 6.068 -9.263 1.00 0.00 C ATOM 382 C ILE A 25 4.898 7.449 -9.097 1.00 0.00 C ATOM 383 O ILE A 25 5.567 8.476 -9.207 1.00 0.00 O ATOM 384 CB ILE A 25 5.783 5.450 -7.883 1.00 0.00 C ATOM 385 CG1 ILE A 25 6.606 4.164 -8.034 1.00 0.00 C ATOM 386 CG2 ILE A 25 4.451 5.105 -7.219 1.00 0.00 C ATOM 387 CD1 ILE A 25 7.002 3.642 -6.650 1.00 0.00 C ATOM 0 H ILE A 25 7.589 6.440 -9.445 1.00 0.00 H new ATOM 0 HA ILE A 25 4.852 5.426 -9.823 1.00 0.00 H new ATOM 0 HB ILE A 25 6.326 6.169 -7.269 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.026 3.410 -8.566 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.498 4.359 -8.629 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.636 4.666 -6.239 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.856 6.011 -7.105 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.909 4.391 -7.840 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.587 2.728 -6.759 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.598 4.395 -6.134 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.104 3.431 -6.070 1.00 0.00 H new ATOM 399 N LEU A 26 3.595 7.455 -8.843 1.00 0.00 N ATOM 400 CA LEU A 26 2.855 8.703 -8.674 1.00 0.00 C ATOM 401 C LEU A 26 2.345 8.838 -7.245 1.00 0.00 C ATOM 402 O LEU A 26 2.563 9.852 -6.585 1.00 0.00 O ATOM 403 CB LEU A 26 1.669 8.747 -9.633 1.00 0.00 C ATOM 404 CG LEU A 26 2.029 9.055 -11.086 1.00 0.00 C ATOM 405 CD1 LEU A 26 0.762 9.039 -11.936 1.00 0.00 C ATOM 406 CD2 LEU A 26 2.679 10.438 -11.167 1.00 0.00 C ATOM 0 H LEU A 26 3.028 6.612 -8.749 1.00 0.00 H new ATOM 0 HA LEU A 26 3.533 9.528 -8.891 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.155 7.786 -9.597 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.963 9.500 -9.281 1.00 0.00 H new ATOM 0 HG LEU A 26 2.726 8.303 -11.456 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.017 9.259 -12.973 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.297 8.055 -11.877 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.066 9.792 -11.566 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.936 10.659 -12.203 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.982 11.190 -10.798 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.583 10.451 -10.558 1.00 0.00 H new ATOM 418 N CYS A 27 1.661 7.801 -6.780 1.00 0.00 N ATOM 419 CA CYS A 27 1.116 7.801 -5.423 1.00 0.00 C ATOM 420 C CYS A 27 0.992 6.368 -4.916 1.00 0.00 C ATOM 421 O CYS A 27 1.335 5.420 -5.623 1.00 0.00 O ATOM 422 CB CYS A 27 -0.263 8.470 -5.394 1.00 0.00 C ATOM 423 SG CYS A 27 -1.361 7.669 -6.589 1.00 0.00 S ATOM 0 H CYS A 27 1.470 6.954 -7.315 1.00 0.00 H new ATOM 0 HA CYS A 27 1.794 8.362 -4.780 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.689 8.402 -4.393 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.168 9.530 -5.628 1.00 0.00 H new ATOM 428 N TYR A 28 0.499 6.207 -3.686 1.00 0.00 N ATOM 429 CA TYR A 28 0.349 4.866 -3.128 1.00 0.00 C ATOM 430 C TYR A 28 -0.992 4.704 -2.407 1.00 0.00 C ATOM 431 O TYR A 28 -1.609 5.677 -1.978 1.00 0.00 O ATOM 432 CB TYR A 28 1.544 4.527 -2.207 1.00 0.00 C ATOM 433 CG TYR A 28 1.257 4.801 -0.740 1.00 0.00 C ATOM 434 CD1 TYR A 28 0.733 6.034 -0.343 1.00 0.00 C ATOM 435 CD2 TYR A 28 1.520 3.810 0.214 1.00 0.00 C ATOM 436 CE1 TYR A 28 0.470 6.280 1.012 1.00 0.00 C ATOM 437 CE2 TYR A 28 1.260 4.053 1.568 1.00 0.00 C ATOM 438 CZ TYR A 28 0.735 5.288 1.967 1.00 0.00 C ATOM 439 OH TYR A 28 0.477 5.530 3.302 1.00 0.00 O ATOM 0 H TYR A 28 0.205 6.967 -3.073 1.00 0.00 H new ATOM 0 HA TYR A 28 0.349 4.152 -3.952 1.00 0.00 H new ATOM 0 HB2 TYR A 28 1.805 3.476 -2.331 1.00 0.00 H new ATOM 0 HB3 TYR A 28 2.412 5.109 -2.517 1.00 0.00 H new ATOM 0 HD1 TYR A 28 0.531 6.797 -1.080 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.924 2.857 -0.095 1.00 0.00 H new ATOM 0 HE1 TYR A 28 0.064 7.232 1.320 1.00 0.00 H new ATOM 0 HE2 TYR A 28 1.464 3.289 2.304 1.00 0.00 H new ATOM 0 HH TYR A 28 0.716 4.740 3.830 1.00 0.00 H new ATOM 449 N ARG A 29 -1.423 3.451 -2.280 1.00 0.00 N ATOM 450 CA ARG A 29 -2.685 3.152 -1.608 1.00 0.00 C ATOM 451 C ARG A 29 -2.735 1.684 -1.187 1.00 0.00 C ATOM 452 O ARG A 29 -2.306 0.799 -1.927 1.00 0.00 O ATOM 453 CB ARG A 29 -3.871 3.449 -2.529 1.00 0.00 C ATOM 454 CG ARG A 29 -3.666 2.750 -3.875 1.00 0.00 C ATOM 455 CD ARG A 29 -5.004 2.656 -4.611 1.00 0.00 C ATOM 456 NE ARG A 29 -5.865 1.646 -3.991 1.00 0.00 N ATOM 457 CZ ARG A 29 -7.057 1.313 -4.506 1.00 0.00 C ATOM 458 NH1 ARG A 29 -7.509 1.881 -5.598 1.00 0.00 N ATOM 459 NH2 ARG A 29 -7.781 0.405 -3.909 1.00 0.00 N ATOM 0 H ARG A 29 -0.923 2.634 -2.630 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.749 3.785 -0.723 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.797 3.106 -2.068 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.968 4.524 -2.678 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.945 3.303 -4.478 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.253 1.753 -3.720 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.502 3.625 -4.595 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.832 2.403 -5.657 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.547 1.181 -3.140 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.951 2.591 -6.072 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.419 1.613 -5.973 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.438 -0.043 -3.059 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.690 0.144 -4.292 1.00 0.00 H new ATOM 473 N ASN A 30 -3.274 1.436 0.005 1.00 0.00 N ATOM 474 CA ASN A 30 -3.386 0.068 0.509 1.00 0.00 C ATOM 475 C ASN A 30 -4.419 -0.703 -0.306 1.00 0.00 C ATOM 476 O ASN A 30 -5.234 -0.109 -1.012 1.00 0.00 O ATOM 477 CB ASN A 30 -3.809 0.070 1.979 1.00 0.00 C ATOM 478 CG ASN A 30 -2.578 0.241 2.863 1.00 0.00 C ATOM 479 OD1 ASN A 30 -1.793 1.266 2.675 1.00 0.00 O flip ATOM 480 ND2 ASN A 30 -2.322 -0.576 3.746 1.00 0.00 N flip ATOM 0 H ASN A 30 -3.636 2.154 0.633 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.411 -0.411 0.418 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.517 0.878 2.163 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -4.318 -0.862 2.223 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -2.936 -1.377 3.893 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.496 -0.452 4.331 1.00 0.00 H new ATOM 487 N THR A 31 -4.380 -2.031 -0.209 1.00 0.00 N ATOM 488 CA THR A 31 -5.328 -2.853 -0.956 1.00 0.00 C ATOM 489 C THR A 31 -6.057 -3.832 -0.034 1.00 0.00 C ATOM 490 O THR A 31 -6.031 -5.046 -0.241 1.00 0.00 O ATOM 491 CB THR A 31 -4.599 -3.633 -2.060 1.00 0.00 C ATOM 492 OG1 THR A 31 -5.535 -4.432 -2.769 1.00 0.00 O ATOM 493 CG2 THR A 31 -3.518 -4.533 -1.448 1.00 0.00 C ATOM 0 H THR A 31 -3.717 -2.551 0.366 1.00 0.00 H new ATOM 0 HA THR A 31 -6.065 -2.187 -1.406 1.00 0.00 H new ATOM 0 HB THR A 31 -4.126 -2.926 -2.742 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.000 -5.025 -2.142 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.009 -5.081 -2.241 1.00 0.00 H new ATOM 0 HG22 THR A 31 -2.796 -3.919 -0.909 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.980 -5.239 -0.758 1.00 0.00 H new ATOM 501 N SER A 32 -6.735 -3.279 0.977 1.00 0.00 N ATOM 502 CA SER A 32 -7.504 -4.094 1.929 1.00 0.00 C ATOM 503 C SER A 32 -6.691 -5.283 2.449 1.00 0.00 C ATOM 504 O SER A 32 -5.511 -5.437 2.132 1.00 0.00 O ATOM 505 CB SER A 32 -8.770 -4.624 1.251 1.00 0.00 C ATOM 506 OG SER A 32 -9.819 -3.677 1.407 1.00 0.00 O ATOM 0 H SER A 32 -6.768 -2.276 1.159 1.00 0.00 H new ATOM 0 HA SER A 32 -7.759 -3.454 2.774 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.581 -4.804 0.193 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.059 -5.579 1.690 1.00 0.00 H new ATOM 0 HG SER A 32 -10.630 -4.013 0.972 1.00 0.00 H new ATOM 512 N SER A 33 -7.345 -6.131 3.241 1.00 0.00 N ATOM 513 CA SER A 33 -6.684 -7.317 3.779 1.00 0.00 C ATOM 514 C SER A 33 -6.954 -8.538 2.888 1.00 0.00 C ATOM 515 O SER A 33 -6.762 -9.679 3.307 1.00 0.00 O ATOM 516 CB SER A 33 -7.182 -7.612 5.194 1.00 0.00 C ATOM 517 OG SER A 33 -6.789 -6.556 6.060 1.00 0.00 O ATOM 0 H SER A 33 -8.320 -6.021 3.521 1.00 0.00 H new ATOM 0 HA SER A 33 -5.612 -7.119 3.805 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.267 -7.715 5.196 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.772 -8.558 5.546 1.00 0.00 H new ATOM 0 HG SER A 33 -7.108 -6.741 6.968 1.00 0.00 H new ATOM 523 N ILE A 34 -7.407 -8.284 1.652 1.00 0.00 N ATOM 524 CA ILE A 34 -7.704 -9.362 0.709 1.00 0.00 C ATOM 525 C ILE A 34 -6.473 -10.237 0.484 1.00 0.00 C ATOM 526 O ILE A 34 -6.554 -11.466 0.492 1.00 0.00 O ATOM 527 CB ILE A 34 -8.177 -8.767 -0.639 1.00 0.00 C ATOM 528 CG1 ILE A 34 -8.392 -9.872 -1.690 1.00 0.00 C ATOM 529 CG2 ILE A 34 -7.140 -7.773 -1.175 1.00 0.00 C ATOM 530 CD1 ILE A 34 -9.854 -10.301 -1.681 1.00 0.00 C ATOM 0 H ILE A 34 -7.574 -7.346 1.287 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.497 -9.980 1.130 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.123 -8.257 -0.458 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -8.115 -9.507 -2.679 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.750 -10.726 -1.473 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.486 -7.362 -2.124 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.006 -6.964 -0.457 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.190 -8.285 -1.326 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.008 -11.083 -2.424 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -10.115 -10.682 -0.694 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -10.486 -9.445 -1.918 1.00 0.00 H new ATOM 542 N CYS A 35 -5.343 -9.591 0.259 1.00 0.00 N ATOM 543 CA CYS A 35 -4.103 -10.310 0.002 1.00 0.00 C ATOM 544 C CYS A 35 -3.759 -11.238 1.166 1.00 0.00 C ATOM 545 O CYS A 35 -3.794 -12.461 1.035 1.00 0.00 O ATOM 546 CB CYS A 35 -2.964 -9.320 -0.210 1.00 0.00 C ATOM 547 SG CYS A 35 -3.364 -8.217 -1.582 1.00 0.00 S ATOM 0 H CYS A 35 -5.256 -8.575 0.248 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.239 -10.912 -0.896 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.799 -8.741 0.699 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.038 -9.856 -0.419 1.00 0.00 H new ATOM 552 N SER A 36 -3.428 -10.640 2.303 1.00 0.00 N ATOM 553 CA SER A 36 -3.077 -11.420 3.489 1.00 0.00 C ATOM 554 C SER A 36 -3.260 -10.583 4.748 1.00 0.00 C ATOM 555 O SER A 36 -3.933 -10.987 5.696 1.00 0.00 O ATOM 556 CB SER A 36 -1.619 -11.886 3.414 1.00 0.00 C ATOM 557 OG SER A 36 -1.552 -13.267 3.742 1.00 0.00 O ATOM 0 H SER A 36 -3.394 -9.629 2.432 1.00 0.00 H new ATOM 0 HA SER A 36 -3.736 -12.288 3.526 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.222 -11.718 2.413 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.004 -11.306 4.102 1.00 0.00 H new ATOM 0 HG SER A 36 -0.621 -13.570 3.694 1.00 0.00 H new ATOM 563 N ASN A 37 -2.630 -9.416 4.747 1.00 0.00 N ATOM 564 CA ASN A 37 -2.693 -8.520 5.893 1.00 0.00 C ATOM 565 C ASN A 37 -2.000 -7.199 5.532 1.00 0.00 C ATOM 566 O ASN A 37 -2.505 -6.116 5.822 1.00 0.00 O ATOM 567 CB ASN A 37 -2.026 -9.216 7.105 1.00 0.00 C ATOM 568 CG ASN A 37 -1.457 -8.220 8.114 1.00 0.00 C ATOM 569 OD1 ASN A 37 -0.172 -8.196 8.302 1.00 0.00 O flip ATOM 570 ND2 ASN A 37 -2.194 -7.455 8.737 1.00 0.00 N flip ATOM 0 H ASN A 37 -2.071 -9.069 3.968 1.00 0.00 H new ATOM 0 HA ASN A 37 -3.725 -8.292 6.160 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -2.758 -9.853 7.602 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.226 -9.866 6.751 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.202 -7.480 8.584 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.796 -6.796 9.406 1.00 0.00 H new ATOM 577 N GLU A 38 -0.842 -7.312 4.886 1.00 0.00 N ATOM 578 CA GLU A 38 -0.090 -6.129 4.478 1.00 0.00 C ATOM 579 C GLU A 38 -0.119 -5.994 2.956 1.00 0.00 C ATOM 580 O GLU A 38 0.884 -6.208 2.275 1.00 0.00 O ATOM 581 CB GLU A 38 1.363 -6.221 4.952 1.00 0.00 C ATOM 582 CG GLU A 38 1.416 -6.075 6.474 1.00 0.00 C ATOM 583 CD GLU A 38 2.579 -6.895 7.024 1.00 0.00 C ATOM 584 OE1 GLU A 38 3.711 -6.492 6.815 1.00 0.00 O ATOM 585 OE2 GLU A 38 2.321 -7.911 7.645 1.00 0.00 O ATOM 0 H GLU A 38 -0.408 -8.201 4.636 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.554 -5.254 4.933 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.794 -7.176 4.653 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.960 -5.440 4.481 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.536 -5.026 6.745 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.478 -6.413 6.915 1.00 0.00 H new ATOM 592 N GLY A 39 -1.288 -5.641 2.431 1.00 0.00 N ATOM 593 CA GLY A 39 -1.446 -5.483 0.987 1.00 0.00 C ATOM 594 C GLY A 39 -1.389 -4.012 0.594 1.00 0.00 C ATOM 595 O GLY A 39 -2.264 -3.224 0.954 1.00 0.00 O ATOM 0 H GLY A 39 -2.132 -5.460 2.975 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.661 -6.033 0.468 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.397 -5.912 0.672 1.00 0.00 H new ATOM 599 N LEU A 40 -0.350 -3.649 -0.152 1.00 0.00 N ATOM 600 CA LEU A 40 -0.187 -2.265 -0.592 1.00 0.00 C ATOM 601 C LEU A 40 -0.092 -2.188 -2.112 1.00 0.00 C ATOM 602 O LEU A 40 0.384 -3.113 -2.769 1.00 0.00 O ATOM 603 CB LEU A 40 1.074 -1.658 0.022 1.00 0.00 C ATOM 604 CG LEU A 40 1.395 -0.228 -0.414 1.00 0.00 C ATOM 605 CD1 LEU A 40 0.272 0.704 0.038 1.00 0.00 C ATOM 606 CD2 LEU A 40 2.706 0.215 0.236 1.00 0.00 C ATOM 0 H LEU A 40 0.385 -4.285 -0.462 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.060 -1.703 -0.261 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.973 -1.674 1.107 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.922 -2.295 -0.229 1.00 0.00 H new ATOM 0 HG LEU A 40 1.489 -0.190 -1.499 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.499 1.724 -0.272 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.668 0.388 -0.415 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.182 0.666 1.124 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.939 1.234 -0.072 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.605 0.178 1.321 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.510 -0.451 -0.076 1.00 0.00 H new ATOM 618 N ILE A 41 -0.547 -1.066 -2.658 1.00 0.00 N ATOM 619 CA ILE A 41 -0.510 -0.855 -4.101 1.00 0.00 C ATOM 620 C ILE A 41 -0.087 0.587 -4.396 1.00 0.00 C ATOM 621 O ILE A 41 -0.186 1.466 -3.541 1.00 0.00 O ATOM 622 CB ILE A 41 -1.891 -1.146 -4.723 1.00 0.00 C ATOM 623 CG1 ILE A 41 -2.192 -2.645 -4.583 1.00 0.00 C ATOM 624 CG2 ILE A 41 -1.904 -0.759 -6.211 1.00 0.00 C ATOM 625 CD1 ILE A 41 -3.578 -2.959 -5.155 1.00 0.00 C ATOM 0 H ILE A 41 -0.944 -0.291 -2.126 1.00 0.00 H new ATOM 0 HA ILE A 41 0.215 -1.539 -4.543 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.648 -0.558 -4.204 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.433 -3.227 -5.107 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.149 -2.936 -3.534 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.886 -0.971 -6.634 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.687 0.304 -6.312 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.148 -1.336 -6.744 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.782 -4.025 -5.051 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.333 -2.390 -4.612 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.607 -2.686 -6.210 1.00 0.00 H new ATOM 637 N PHE A 42 0.388 0.813 -5.618 1.00 0.00 N ATOM 638 CA PHE A 42 0.827 2.143 -6.019 1.00 0.00 C ATOM 639 C PHE A 42 0.220 2.530 -7.365 1.00 0.00 C ATOM 640 O PHE A 42 -0.517 1.762 -7.981 1.00 0.00 O ATOM 641 CB PHE A 42 2.347 2.194 -6.149 1.00 0.00 C ATOM 642 CG PHE A 42 2.989 2.271 -4.784 1.00 0.00 C ATOM 643 CD1 PHE A 42 3.010 1.146 -3.951 1.00 0.00 C ATOM 644 CD2 PHE A 42 3.585 3.465 -4.361 1.00 0.00 C ATOM 645 CE1 PHE A 42 3.630 1.217 -2.700 1.00 0.00 C ATOM 646 CE2 PHE A 42 4.201 3.535 -3.110 1.00 0.00 C ATOM 647 CZ PHE A 42 4.226 2.412 -2.280 1.00 0.00 C ATOM 0 H PHE A 42 0.478 0.099 -6.341 1.00 0.00 H new ATOM 0 HA PHE A 42 0.497 2.840 -5.249 1.00 0.00 H new ATOM 0 HB2 PHE A 42 2.703 1.309 -6.676 1.00 0.00 H new ATOM 0 HB3 PHE A 42 2.639 3.059 -6.745 1.00 0.00 H new ATOM 0 HD1 PHE A 42 2.548 0.225 -4.274 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.568 4.333 -5.003 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.649 0.349 -2.057 1.00 0.00 H new ATOM 0 HE2 PHE A 42 4.658 4.458 -2.784 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.705 2.466 -1.314 1.00 0.00 H new ATOM 657 N LYS A 43 0.558 3.735 -7.813 1.00 0.00 N ATOM 658 CA LYS A 43 0.068 4.242 -9.094 1.00 0.00 C ATOM 659 C LYS A 43 1.229 4.813 -9.894 1.00 0.00 C ATOM 660 O LYS A 43 2.090 5.485 -9.345 1.00 0.00 O ATOM 661 CB LYS A 43 -0.958 5.355 -8.878 1.00 0.00 C ATOM 662 CG LYS A 43 -1.819 5.505 -10.134 1.00 0.00 C ATOM 663 CD LYS A 43 -3.054 4.611 -10.020 1.00 0.00 C ATOM 664 CE LYS A 43 -3.959 4.835 -11.232 1.00 0.00 C ATOM 665 NZ LYS A 43 -5.224 4.065 -11.057 1.00 0.00 N ATOM 0 H LYS A 43 1.168 4.379 -7.310 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.399 3.416 -9.631 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.587 5.123 -8.019 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.451 6.294 -8.657 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.121 6.545 -10.258 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.241 5.233 -11.018 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.755 3.564 -9.965 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.596 4.836 -9.101 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.179 5.897 -11.343 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.451 4.518 -12.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.840 4.217 -11.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.005 3.052 -10.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.711 4.388 -10.197 1.00 0.00 H new ATOM 679 N LEU A 44 1.248 4.548 -11.196 1.00 0.00 N ATOM 680 CA LEU A 44 2.323 5.062 -12.042 1.00 0.00 C ATOM 681 C LEU A 44 1.753 5.934 -13.155 1.00 0.00 C ATOM 682 O LEU A 44 0.550 5.925 -13.416 1.00 0.00 O ATOM 683 CB LEU A 44 3.121 3.914 -12.662 1.00 0.00 C ATOM 684 CG LEU A 44 3.581 2.837 -11.675 1.00 0.00 C ATOM 685 CD1 LEU A 44 2.399 1.934 -11.317 1.00 0.00 C ATOM 686 CD2 LEU A 44 4.685 1.996 -12.318 1.00 0.00 C ATOM 0 H LEU A 44 0.546 3.991 -11.683 1.00 0.00 H new ATOM 0 HA LEU A 44 2.985 5.659 -11.415 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.511 3.442 -13.433 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.998 4.328 -13.159 1.00 0.00 H new ATOM 0 HG LEU A 44 3.963 3.312 -10.771 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.726 1.167 -10.615 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.610 2.531 -10.860 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.017 1.459 -12.221 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.013 1.229 -11.617 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.302 1.521 -13.221 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.528 2.637 -12.575 1.00 0.00 H new ATOM 698 N LYS A 45 2.633 6.689 -13.808 1.00 0.00 N ATOM 699 CA LYS A 45 2.207 7.570 -14.893 1.00 0.00 C ATOM 700 C LYS A 45 2.010 6.800 -16.206 1.00 0.00 C ATOM 701 O LYS A 45 1.600 7.378 -17.212 1.00 0.00 O ATOM 702 CB LYS A 45 3.242 8.673 -15.119 1.00 0.00 C ATOM 703 CG LYS A 45 2.594 9.837 -15.871 1.00 0.00 C ATOM 704 CD LYS A 45 3.616 10.961 -16.052 1.00 0.00 C ATOM 705 CE LYS A 45 3.858 11.653 -14.709 1.00 0.00 C ATOM 706 NZ LYS A 45 4.624 12.911 -14.931 1.00 0.00 N ATOM 0 H LYS A 45 3.633 6.710 -13.609 1.00 0.00 H new ATOM 0 HA LYS A 45 1.253 8.006 -14.597 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.635 9.018 -14.163 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.086 8.283 -15.689 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.233 9.500 -16.843 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.729 10.204 -15.319 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.552 10.557 -16.439 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.253 11.682 -16.784 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.907 11.874 -14.225 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.410 10.992 -14.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.789 13.382 -14.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.537 12.688 -15.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.081 13.543 -15.554 1.00 0.00 H new ATOM 720 N ARG A 46 2.298 5.494 -16.195 1.00 0.00 N ATOM 721 CA ARG A 46 2.136 4.682 -17.400 1.00 0.00 C ATOM 722 C ARG A 46 0.741 4.050 -17.465 1.00 0.00 C ATOM 723 O ARG A 46 0.544 3.035 -18.134 1.00 0.00 O ATOM 724 CB ARG A 46 3.185 3.569 -17.434 1.00 0.00 C ATOM 725 CG ARG A 46 3.572 3.272 -18.884 1.00 0.00 C ATOM 726 CD ARG A 46 4.728 4.182 -19.303 1.00 0.00 C ATOM 727 NE ARG A 46 5.610 3.495 -20.248 1.00 0.00 N ATOM 728 CZ ARG A 46 6.854 3.926 -20.506 1.00 0.00 C ATOM 729 NH1 ARG A 46 7.338 4.994 -19.918 1.00 0.00 N ATOM 730 NH2 ARG A 46 7.594 3.273 -21.359 1.00 0.00 N ATOM 0 H ARG A 46 2.639 4.986 -15.379 1.00 0.00 H new ATOM 0 HA ARG A 46 2.264 5.342 -18.258 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.066 3.868 -16.866 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.791 2.670 -16.961 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.863 2.227 -18.986 1.00 0.00 H new ATOM 0 HG3 ARG A 46 2.715 3.430 -19.539 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.335 5.091 -19.759 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.295 4.486 -18.423 1.00 0.00 H new ATOM 0 HE ARG A 46 5.268 2.661 -20.726 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.766 5.513 -19.251 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.286 5.306 -20.127 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.225 2.443 -21.823 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.541 3.593 -21.562 1.00 0.00 H new ATOM 744 N GLY A 47 -0.225 4.648 -16.765 1.00 0.00 N ATOM 745 CA GLY A 47 -1.584 4.119 -16.764 1.00 0.00 C ATOM 746 C GLY A 47 -1.615 2.719 -16.162 1.00 0.00 C ATOM 747 O GLY A 47 -2.179 1.790 -16.740 1.00 0.00 O ATOM 0 H GLY A 47 -0.092 5.487 -16.200 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.237 4.780 -16.194 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.970 4.091 -17.783 1.00 0.00 H new ATOM 751 N LYS A 48 -0.997 2.577 -14.992 1.00 0.00 N ATOM 752 CA LYS A 48 -0.956 1.282 -14.318 1.00 0.00 C ATOM 753 C LYS A 48 -0.653 1.456 -12.834 1.00 0.00 C ATOM 754 O LYS A 48 -0.511 2.574 -12.340 1.00 0.00 O ATOM 755 CB LYS A 48 0.116 0.386 -14.942 1.00 0.00 C ATOM 756 CG LYS A 48 1.452 1.130 -14.976 1.00 0.00 C ATOM 757 CD LYS A 48 2.419 0.403 -15.913 1.00 0.00 C ATOM 758 CE LYS A 48 2.795 -0.951 -15.309 1.00 0.00 C ATOM 759 NZ LYS A 48 3.796 -0.751 -14.224 1.00 0.00 N ATOM 0 H LYS A 48 -0.523 3.332 -14.496 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.934 0.816 -14.435 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.215 -0.534 -14.366 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.178 0.100 -15.952 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.301 2.155 -15.316 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.874 1.186 -13.973 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.958 0.261 -16.890 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.314 1.005 -16.067 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.907 -1.443 -14.913 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.204 -1.604 -16.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.214 -1.667 -13.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.545 -0.110 -14.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.329 -0.336 -13.393 1.00 0.00 H new ATOM 773 N GLU A 49 -0.555 0.331 -12.130 1.00 0.00 N ATOM 774 CA GLU A 49 -0.267 0.358 -10.700 1.00 0.00 C ATOM 775 C GLU A 49 0.858 -0.615 -10.366 1.00 0.00 C ATOM 776 O GLU A 49 1.379 -1.311 -11.237 1.00 0.00 O ATOM 777 CB GLU A 49 -1.511 -0.026 -9.896 1.00 0.00 C ATOM 778 CG GLU A 49 -2.551 1.090 -9.997 1.00 0.00 C ATOM 779 CD GLU A 49 -3.951 0.488 -9.945 1.00 0.00 C ATOM 780 OE1 GLU A 49 -4.466 0.141 -10.995 1.00 0.00 O ATOM 781 OE2 GLU A 49 -4.489 0.382 -8.854 1.00 0.00 O ATOM 0 H GLU A 49 -0.670 -0.603 -12.523 1.00 0.00 H new ATOM 0 HA GLU A 49 0.037 1.371 -10.437 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.927 -0.960 -10.274 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.244 -0.195 -8.853 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.418 1.800 -9.181 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.416 1.644 -10.926 1.00 0.00 H new ATOM 788 N ALA A 50 1.224 -0.650 -9.090 1.00 0.00 N ATOM 789 CA ALA A 50 2.290 -1.536 -8.635 1.00 0.00 C ATOM 790 C ALA A 50 1.940 -2.112 -7.267 1.00 0.00 C ATOM 791 O ALA A 50 1.386 -1.424 -6.416 1.00 0.00 O ATOM 792 CB ALA A 50 3.610 -0.770 -8.542 1.00 0.00 C ATOM 0 H ALA A 50 0.802 -0.080 -8.357 1.00 0.00 H new ATOM 0 HA ALA A 50 2.398 -2.349 -9.353 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.398 -1.442 -8.201 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.871 -0.374 -9.523 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.504 0.053 -7.835 1.00 0.00 H new ATOM 798 N CYS A 51 2.261 -3.384 -7.070 1.00 0.00 N ATOM 799 CA CYS A 51 1.964 -4.044 -5.800 1.00 0.00 C ATOM 800 C CYS A 51 3.102 -3.883 -4.797 1.00 0.00 C ATOM 801 O CYS A 51 4.270 -3.751 -5.161 1.00 0.00 O ATOM 802 CB CYS A 51 1.698 -5.534 -6.017 1.00 0.00 C ATOM 803 SG CYS A 51 -0.026 -5.773 -6.525 1.00 0.00 S ATOM 0 H CYS A 51 2.721 -3.975 -7.762 1.00 0.00 H new ATOM 0 HA CYS A 51 1.073 -3.564 -5.394 1.00 0.00 H new ATOM 0 HB2 CYS A 51 2.371 -5.927 -6.779 1.00 0.00 H new ATOM 0 HB3 CYS A 51 1.898 -6.087 -5.099 1.00 0.00 H new ATOM 808 N ALA A 52 2.726 -3.905 -3.521 1.00 0.00 N ATOM 809 CA ALA A 52 3.683 -3.772 -2.426 1.00 0.00 C ATOM 810 C ALA A 52 3.057 -4.318 -1.145 1.00 0.00 C ATOM 811 O ALA A 52 1.911 -4.767 -1.149 1.00 0.00 O ATOM 812 CB ALA A 52 4.062 -2.304 -2.216 1.00 0.00 C ATOM 0 H ALA A 52 1.758 -4.015 -3.218 1.00 0.00 H new ATOM 0 HA ALA A 52 4.583 -4.334 -2.675 1.00 0.00 H new ATOM 0 HB1 ALA A 52 4.776 -2.226 -1.396 1.00 0.00 H new ATOM 0 HB2 ALA A 52 4.512 -1.910 -3.127 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.168 -1.728 -1.975 1.00 0.00 H new ATOM 818 N LEU A 53 3.807 -4.274 -0.046 1.00 0.00 N ATOM 819 CA LEU A 53 3.283 -4.773 1.225 1.00 0.00 C ATOM 820 C LEU A 53 2.476 -3.681 1.929 1.00 0.00 C ATOM 821 O LEU A 53 1.246 -3.696 1.907 1.00 0.00 O ATOM 822 CB LEU A 53 4.421 -5.244 2.143 1.00 0.00 C ATOM 823 CG LEU A 53 4.795 -6.724 2.022 1.00 0.00 C ATOM 824 CD1 LEU A 53 3.545 -7.590 2.201 1.00 0.00 C ATOM 825 CD2 LEU A 53 5.400 -6.982 0.643 1.00 0.00 C ATOM 0 H LEU A 53 4.758 -3.907 -0.007 1.00 0.00 H new ATOM 0 HA LEU A 53 2.634 -5.622 1.011 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.307 -4.645 1.932 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.138 -5.042 3.176 1.00 0.00 H new ATOM 0 HG LEU A 53 5.521 -6.978 2.794 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.816 -8.642 2.114 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.113 -7.407 3.185 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.815 -7.339 1.432 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.667 -8.035 0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.672 -6.726 -0.127 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.293 -6.369 0.517 1.00 0.00 H new ATOM 837 N ASP A 54 3.192 -2.741 2.548 1.00 0.00 N ATOM 838 CA ASP A 54 2.567 -1.624 3.266 1.00 0.00 C ATOM 839 C ASP A 54 3.640 -0.805 3.979 1.00 0.00 C ATOM 840 O ASP A 54 3.649 0.424 3.911 1.00 0.00 O ATOM 841 CB ASP A 54 1.548 -2.122 4.301 1.00 0.00 C ATOM 842 CG ASP A 54 0.841 -0.933 4.949 1.00 0.00 C ATOM 843 OD1 ASP A 54 0.367 -0.080 4.217 1.00 0.00 O ATOM 844 OD2 ASP A 54 0.786 -0.893 6.167 1.00 0.00 O ATOM 0 H ASP A 54 4.212 -2.730 2.567 1.00 0.00 H new ATOM 0 HA ASP A 54 2.045 -1.008 2.534 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.817 -2.773 3.821 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.052 -2.716 5.063 1.00 0.00 H new ATOM 849 N THR A 55 4.543 -1.499 4.667 1.00 0.00 N ATOM 850 CA THR A 55 5.614 -0.823 5.392 1.00 0.00 C ATOM 851 C THR A 55 6.966 -1.465 5.075 1.00 0.00 C ATOM 852 O THR A 55 7.768 -1.744 5.968 1.00 0.00 O ATOM 853 CB THR A 55 5.361 -0.888 6.901 1.00 0.00 C ATOM 854 OG1 THR A 55 6.470 -0.327 7.589 1.00 0.00 O ATOM 855 CG2 THR A 55 5.176 -2.345 7.328 1.00 0.00 C ATOM 0 H THR A 55 4.555 -2.516 4.737 1.00 0.00 H new ATOM 0 HA THR A 55 5.631 0.220 5.075 1.00 0.00 H new ATOM 0 HB THR A 55 4.460 -0.325 7.143 1.00 0.00 H new ATOM 0 HG1 THR A 55 7.258 -0.895 7.458 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.996 -2.389 8.402 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.325 -2.774 6.799 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.075 -2.912 7.087 1.00 0.00 H new ATOM 863 N VAL A 56 7.208 -1.696 3.788 1.00 0.00 N ATOM 864 CA VAL A 56 8.463 -2.308 3.348 1.00 0.00 C ATOM 865 C VAL A 56 9.663 -1.466 3.781 1.00 0.00 C ATOM 866 O VAL A 56 10.701 -1.991 4.186 1.00 0.00 O ATOM 867 CB VAL A 56 8.484 -2.438 1.819 1.00 0.00 C ATOM 868 CG1 VAL A 56 7.348 -3.353 1.363 1.00 0.00 C ATOM 869 CG2 VAL A 56 8.302 -1.056 1.181 1.00 0.00 C ATOM 0 H VAL A 56 6.558 -1.471 3.034 1.00 0.00 H new ATOM 0 HA VAL A 56 8.528 -3.294 3.808 1.00 0.00 H new ATOM 0 HB VAL A 56 9.440 -2.861 1.511 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.367 -3.442 0.277 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.473 -4.339 1.811 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.393 -2.931 1.676 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.317 -1.152 0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.347 -0.633 1.495 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.112 -0.399 1.499 1.00 0.00 H new ATOM 879 N GLY A 57 9.506 -0.154 3.664 1.00 0.00 N ATOM 880 CA GLY A 57 10.570 0.780 4.014 1.00 0.00 C ATOM 881 C GLY A 57 10.622 1.888 2.974 1.00 0.00 C ATOM 882 O GLY A 57 10.476 3.068 3.293 1.00 0.00 O ATOM 0 H GLY A 57 8.651 0.289 3.329 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.390 1.201 5.003 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.527 0.260 4.058 1.00 0.00 H new ATOM 886 N TRP A 58 10.800 1.488 1.717 1.00 0.00 N ATOM 887 CA TRP A 58 10.831 2.455 0.627 1.00 0.00 C ATOM 888 C TRP A 58 9.436 3.065 0.420 1.00 0.00 C ATOM 889 O TRP A 58 9.290 4.110 -0.208 1.00 0.00 O ATOM 890 CB TRP A 58 11.329 1.799 -0.672 1.00 0.00 C ATOM 891 CG TRP A 58 10.366 0.753 -1.153 1.00 0.00 C ATOM 892 CD1 TRP A 58 10.522 -0.583 -1.005 1.00 0.00 C ATOM 893 CD2 TRP A 58 9.118 0.939 -1.877 1.00 0.00 C ATOM 894 NE1 TRP A 58 9.443 -1.226 -1.592 1.00 0.00 N ATOM 895 CE2 TRP A 58 8.553 -0.328 -2.142 1.00 0.00 C ATOM 896 CE3 TRP A 58 8.429 2.076 -2.323 1.00 0.00 C ATOM 897 CZ2 TRP A 58 7.348 -0.462 -2.830 1.00 0.00 C ATOM 898 CZ3 TRP A 58 7.216 1.949 -3.017 1.00 0.00 C ATOM 899 CH2 TRP A 58 6.677 0.681 -3.270 1.00 0.00 C ATOM 0 H TRP A 58 10.923 0.516 1.432 1.00 0.00 H new ATOM 0 HA TRP A 58 11.526 3.251 0.893 1.00 0.00 H new ATOM 0 HB2 TRP A 58 11.458 2.560 -1.441 1.00 0.00 H new ATOM 0 HB3 TRP A 58 12.307 1.348 -0.503 1.00 0.00 H new ATOM 0 HD1 TRP A 58 11.351 -1.068 -0.511 1.00 0.00 H new ATOM 0 HE1 TRP A 58 9.322 -2.239 -1.614 1.00 0.00 H new ATOM 0 HE3 TRP A 58 8.835 3.058 -2.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 6.937 -1.442 -3.021 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 6.696 2.832 -3.357 1.00 0.00 H new ATOM 0 HH2 TRP A 58 5.743 0.587 -3.805 1.00 0.00 H new ATOM 910 N VAL A 59 8.413 2.408 0.972 1.00 0.00 N ATOM 911 CA VAL A 59 7.050 2.906 0.859 1.00 0.00 C ATOM 912 C VAL A 59 6.898 4.154 1.729 1.00 0.00 C ATOM 913 O VAL A 59 6.180 5.085 1.377 1.00 0.00 O ATOM 914 CB VAL A 59 6.057 1.813 1.315 1.00 0.00 C ATOM 915 CG1 VAL A 59 4.642 2.384 1.508 1.00 0.00 C ATOM 916 CG2 VAL A 59 6.011 0.700 0.264 1.00 0.00 C ATOM 0 H VAL A 59 8.506 1.538 1.496 1.00 0.00 H new ATOM 0 HA VAL A 59 6.836 3.163 -0.178 1.00 0.00 H new ATOM 0 HB VAL A 59 6.401 1.420 2.272 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.969 1.589 1.829 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.666 3.167 2.266 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.287 2.802 0.566 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.311 -0.073 0.583 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.685 1.114 -0.690 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.004 0.266 0.150 1.00 0.00 H new ATOM 926 N GLN A 60 7.573 4.148 2.876 1.00 0.00 N ATOM 927 CA GLN A 60 7.494 5.277 3.808 1.00 0.00 C ATOM 928 C GLN A 60 7.937 6.572 3.140 1.00 0.00 C ATOM 929 O GLN A 60 7.282 7.602 3.280 1.00 0.00 O ATOM 930 CB GLN A 60 8.361 5.041 5.059 1.00 0.00 C ATOM 931 CG GLN A 60 8.227 3.594 5.581 1.00 0.00 C ATOM 932 CD GLN A 60 6.757 3.177 5.661 1.00 0.00 C ATOM 933 OE1 GLN A 60 6.264 2.423 4.718 1.00 0.00 O flip ATOM 934 NE2 GLN A 60 6.046 3.543 6.597 1.00 0.00 N flip ATOM 0 H GLN A 60 8.175 3.384 3.183 1.00 0.00 H new ATOM 0 HA GLN A 60 6.450 5.361 4.110 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.405 5.248 4.823 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.067 5.739 5.843 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.767 2.914 4.922 1.00 0.00 H new ATOM 0 HG3 GLN A 60 8.686 3.515 6.566 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.435 4.133 7.333 1.00 0.00 H new ATOM 0 HE22 GLN A 60 5.068 3.257 6.637 1.00 0.00 H new ATOM 943 N ARG A 61 9.050 6.522 2.411 1.00 0.00 N ATOM 944 CA ARG A 61 9.534 7.724 1.737 1.00 0.00 C ATOM 945 C ARG A 61 8.611 8.076 0.566 1.00 0.00 C ATOM 946 O ARG A 61 8.460 9.245 0.210 1.00 0.00 O ATOM 947 CB ARG A 61 10.985 7.555 1.255 1.00 0.00 C ATOM 948 CG ARG A 61 11.071 6.470 0.184 1.00 0.00 C ATOM 949 CD ARG A 61 12.514 6.357 -0.312 1.00 0.00 C ATOM 950 NE ARG A 61 12.786 5.004 -0.805 1.00 0.00 N ATOM 951 CZ ARG A 61 13.994 4.641 -1.257 1.00 0.00 C ATOM 952 NH1 ARG A 61 14.997 5.486 -1.278 1.00 0.00 N ATOM 953 NH2 ARG A 61 14.177 3.421 -1.685 1.00 0.00 N ATOM 0 H ARG A 61 9.620 5.687 2.274 1.00 0.00 H new ATOM 0 HA ARG A 61 9.523 8.544 2.455 1.00 0.00 H new ATOM 0 HB2 ARG A 61 11.353 8.499 0.854 1.00 0.00 H new ATOM 0 HB3 ARG A 61 11.626 7.294 2.097 1.00 0.00 H new ATOM 0 HG2 ARG A 61 10.739 5.515 0.591 1.00 0.00 H new ATOM 0 HG3 ARG A 61 10.407 6.710 -0.647 1.00 0.00 H new ATOM 0 HD2 ARG A 61 12.689 7.082 -1.107 1.00 0.00 H new ATOM 0 HD3 ARG A 61 13.202 6.600 0.497 1.00 0.00 H new ATOM 0 HE ARG A 61 12.032 4.317 -0.804 1.00 0.00 H new ATOM 0 HH11 ARG A 61 14.866 6.441 -0.946 1.00 0.00 H new ATOM 0 HH12 ARG A 61 15.908 5.188 -1.626 1.00 0.00 H new ATOM 0 HH21 ARG A 61 13.404 2.755 -1.673 1.00 0.00 H new ATOM 0 HH22 ARG A 61 15.092 3.134 -2.031 1.00 0.00 H new ATOM 967 N HIS A 62 7.968 7.055 -0.009 1.00 0.00 N ATOM 968 CA HIS A 62 7.033 7.279 -1.110 1.00 0.00 C ATOM 969 C HIS A 62 5.744 7.894 -0.577 1.00 0.00 C ATOM 970 O HIS A 62 5.217 8.856 -1.132 1.00 0.00 O ATOM 971 CB HIS A 62 6.691 5.964 -1.817 1.00 0.00 C ATOM 972 CG HIS A 62 7.757 5.619 -2.821 1.00 0.00 C ATOM 973 ND1 HIS A 62 9.067 5.360 -2.459 1.00 0.00 N ATOM 974 CD2 HIS A 62 7.715 5.492 -4.187 1.00 0.00 C ATOM 975 CE1 HIS A 62 9.755 5.098 -3.586 1.00 0.00 C ATOM 976 NE2 HIS A 62 8.977 5.162 -4.667 1.00 0.00 N ATOM 0 H HIS A 62 8.077 6.079 0.266 1.00 0.00 H new ATOM 0 HA HIS A 62 7.509 7.954 -1.821 1.00 0.00 H new ATOM 0 HB2 HIS A 62 6.599 5.162 -1.084 1.00 0.00 H new ATOM 0 HB3 HIS A 62 5.726 6.052 -2.316 1.00 0.00 H new ATOM 0 HD1 HIS A 62 9.443 5.366 -1.511 1.00 0.00 H new ATOM 0 HD2 HIS A 62 6.834 5.628 -4.797 1.00 0.00 H new ATOM 0 HE1 HIS A 62 10.809 4.864 -3.612 1.00 0.00 H new ATOM 984 N ARG A 63 5.249 7.320 0.513 1.00 0.00 N ATOM 985 CA ARG A 63 4.018 7.807 1.134 1.00 0.00 C ATOM 986 C ARG A 63 4.287 9.069 1.953 1.00 0.00 C ATOM 987 O ARG A 63 3.379 9.859 2.209 1.00 0.00 O ATOM 988 CB ARG A 63 3.385 6.733 2.029 1.00 0.00 C ATOM 989 CG ARG A 63 4.385 6.250 3.084 1.00 0.00 C ATOM 990 CD ARG A 63 4.015 6.827 4.453 1.00 0.00 C ATOM 991 NE ARG A 63 2.933 6.052 5.067 1.00 0.00 N ATOM 992 CZ ARG A 63 2.221 6.519 6.102 1.00 0.00 C ATOM 993 NH1 ARG A 63 2.463 7.702 6.617 1.00 0.00 N ATOM 994 NH2 ARG A 63 1.269 5.784 6.607 1.00 0.00 N ATOM 0 H ARG A 63 5.676 6.522 0.984 1.00 0.00 H new ATOM 0 HA ARG A 63 3.319 8.046 0.332 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.499 7.136 2.519 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.057 5.891 1.419 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.385 5.161 3.126 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.394 6.558 2.810 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.889 6.820 5.104 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.707 7.867 4.344 1.00 0.00 H new ATOM 0 HE ARG A 63 2.715 5.128 4.695 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.205 8.285 6.229 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.909 8.038 7.405 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.073 4.863 6.214 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.721 6.130 7.395 1.00 0.00 H new ATOM 1008 N LYS A 64 5.544 9.269 2.346 1.00 0.00 N ATOM 1009 CA LYS A 64 5.906 10.459 3.107 1.00 0.00 C ATOM 1010 C LYS A 64 5.841 11.687 2.201 1.00 0.00 C ATOM 1011 O LYS A 64 5.560 12.798 2.654 1.00 0.00 O ATOM 1012 CB LYS A 64 7.322 10.331 3.673 1.00 0.00 C ATOM 1013 CG LYS A 64 7.263 9.687 5.059 1.00 0.00 C ATOM 1014 CD LYS A 64 8.656 9.188 5.450 1.00 0.00 C ATOM 1015 CE LYS A 64 8.845 9.331 6.962 1.00 0.00 C ATOM 1016 NZ LYS A 64 8.920 10.776 7.318 1.00 0.00 N ATOM 0 H LYS A 64 6.317 8.632 2.153 1.00 0.00 H new ATOM 0 HA LYS A 64 5.203 10.565 3.933 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.938 9.728 3.006 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.789 11.314 3.737 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.905 10.409 5.792 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.556 8.858 5.057 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.776 8.146 5.155 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.420 9.759 4.922 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.017 8.858 7.489 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.756 8.820 7.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 9.506 10.894 8.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.343 11.306 6.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.963 11.138 7.504 1.00 0.00 H new ATOM 1030 N MET A 65 6.105 11.470 0.911 1.00 0.00 N ATOM 1031 CA MET A 65 6.077 12.558 -0.061 1.00 0.00 C ATOM 1032 C MET A 65 4.742 12.573 -0.804 1.00 0.00 C ATOM 1033 O MET A 65 4.178 13.633 -1.076 1.00 0.00 O ATOM 1034 CB MET A 65 7.208 12.388 -1.077 1.00 0.00 C ATOM 1035 CG MET A 65 8.556 12.443 -0.353 1.00 0.00 C ATOM 1036 SD MET A 65 9.177 14.145 -0.350 1.00 0.00 S ATOM 1037 CE MET A 65 10.918 13.749 -0.640 1.00 0.00 C ATOM 0 H MET A 65 6.339 10.557 0.520 1.00 0.00 H new ATOM 0 HA MET A 65 6.205 13.498 0.476 1.00 0.00 H new ATOM 0 HB2 MET A 65 7.102 11.437 -1.600 1.00 0.00 H new ATOM 0 HB3 MET A 65 7.155 13.174 -1.831 1.00 0.00 H new ATOM 0 HG2 MET A 65 8.445 12.084 0.670 1.00 0.00 H new ATOM 0 HG3 MET A 65 9.272 11.785 -0.846 1.00 0.00 H new ATOM 0 HE1 MET A 65 11.500 14.670 -0.676 1.00 0.00 H new ATOM 0 HE2 MET A 65 11.287 13.118 0.169 1.00 0.00 H new ATOM 0 HE3 MET A 65 11.018 13.220 -1.588 1.00 0.00 H new ATOM 1047 N LEU A 66 4.247 11.382 -1.128 1.00 0.00 N ATOM 1048 CA LEU A 66 2.977 11.259 -1.841 1.00 0.00 C ATOM 1049 C LEU A 66 1.854 10.921 -0.865 1.00 0.00 C ATOM 1050 O LEU A 66 2.076 10.811 0.340 1.00 0.00 O ATOM 1051 CB LEU A 66 3.064 10.165 -2.907 1.00 0.00 C ATOM 1052 CG LEU A 66 3.937 10.506 -4.120 1.00 0.00 C ATOM 1053 CD1 LEU A 66 3.389 11.759 -4.805 1.00 0.00 C ATOM 1054 CD2 LEU A 66 5.374 10.769 -3.663 1.00 0.00 C ATOM 0 H LEU A 66 4.700 10.494 -0.911 1.00 0.00 H new ATOM 0 HA LEU A 66 2.765 12.213 -2.323 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.452 9.258 -2.443 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.057 9.939 -3.256 1.00 0.00 H new ATOM 0 HG LEU A 66 3.925 9.670 -4.819 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.009 12.003 -5.668 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.366 11.576 -5.133 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.401 12.592 -4.103 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.992 11.011 -4.527 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.386 11.604 -2.963 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.769 9.879 -3.173 1.00 0.00 H new ATOM 1066 N ARG A 67 0.640 10.769 -1.389 1.00 0.00 N ATOM 1067 CA ARG A 67 -0.504 10.452 -0.537 1.00 0.00 C ATOM 1068 C ARG A 67 -1.423 9.437 -1.209 1.00 0.00 C ATOM 1069 O ARG A 67 -1.160 8.970 -2.315 1.00 0.00 O ATOM 1070 CB ARG A 67 -1.304 11.716 -0.221 1.00 0.00 C ATOM 1071 CG ARG A 67 -1.711 12.405 -1.525 1.00 0.00 C ATOM 1072 CD ARG A 67 -3.077 13.071 -1.348 1.00 0.00 C ATOM 1073 NE ARG A 67 -3.082 13.938 -0.166 1.00 0.00 N ATOM 1074 CZ ARG A 67 -2.486 15.139 -0.161 1.00 0.00 C ATOM 1075 NH1 ARG A 67 -1.868 15.597 -1.224 1.00 0.00 N ATOM 1076 NH2 ARG A 67 -2.524 15.868 0.921 1.00 0.00 N ATOM 0 H ARG A 67 0.424 10.858 -2.382 1.00 0.00 H new ATOM 0 HA ARG A 67 -0.116 10.024 0.387 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -2.191 11.462 0.360 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.707 12.394 0.389 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -0.965 13.150 -1.803 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -1.752 11.677 -2.335 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -3.319 13.656 -2.235 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.849 12.308 -1.249 1.00 0.00 H new ATOM 0 HE ARG A 67 -3.554 13.617 0.680 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.835 15.037 -2.076 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -1.421 16.514 -1.199 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.004 15.523 1.752 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -2.074 16.783 0.935 1.00 0.00 H new ATOM 1090 N HIS A 68 -2.508 9.095 -0.511 1.00 0.00 N ATOM 1091 CA HIS A 68 -3.477 8.125 -1.022 1.00 0.00 C ATOM 1092 C HIS A 68 -3.984 8.523 -2.407 1.00 0.00 C ATOM 1093 O HIS A 68 -4.475 9.632 -2.613 1.00 0.00 O ATOM 1094 CB HIS A 68 -4.671 8.017 -0.073 1.00 0.00 C ATOM 1095 CG HIS A 68 -4.196 7.558 1.279 1.00 0.00 C ATOM 1096 ND1 HIS A 68 -4.593 8.181 2.452 1.00 0.00 N ATOM 1097 CD2 HIS A 68 -3.357 6.540 1.660 1.00 0.00 C ATOM 1098 CE1 HIS A 68 -3.999 7.537 3.473 1.00 0.00 C ATOM 1099 NE2 HIS A 68 -3.235 6.528 3.046 1.00 0.00 N ATOM 0 H HIS A 68 -2.737 9.475 0.408 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.969 7.163 -1.093 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -5.169 8.983 0.013 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -5.403 7.315 -0.471 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -2.866 5.853 0.986 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -4.125 7.804 4.512 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -2.681 5.887 3.614 1.00 0.00 H new ATOM 1107 N CYS A 69 -3.863 7.594 -3.351 1.00 0.00 N ATOM 1108 CA CYS A 69 -4.315 7.839 -4.718 1.00 0.00 C ATOM 1109 C CYS A 69 -5.823 8.115 -4.734 1.00 0.00 C ATOM 1110 O CYS A 69 -6.526 7.771 -3.785 1.00 0.00 O ATOM 1111 CB CYS A 69 -4.024 6.623 -5.603 1.00 0.00 C ATOM 1112 SG CYS A 69 -2.264 6.212 -5.517 1.00 0.00 S ATOM 0 H CYS A 69 -3.459 6.670 -3.197 1.00 0.00 H new ATOM 0 HA CYS A 69 -3.778 8.706 -5.104 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -4.622 5.772 -5.277 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -4.308 6.835 -6.634 1.00 0.00 H new ATOM 1117 N PRO A 70 -6.346 8.737 -5.805 1.00 0.00 N ATOM 1118 CA PRO A 70 -7.784 9.040 -5.898 1.00 0.00 C ATOM 1119 C PRO A 70 -8.609 7.834 -6.341 1.00 0.00 C ATOM 1120 O PRO A 70 -8.094 6.904 -6.963 1.00 0.00 O ATOM 1121 CB PRO A 70 -7.822 10.141 -6.950 1.00 0.00 C ATOM 1122 CG PRO A 70 -6.562 9.994 -7.796 1.00 0.00 C ATOM 1123 CD PRO A 70 -5.555 9.177 -6.979 1.00 0.00 C ATOM 0 HA PRO A 70 -8.214 9.325 -4.938 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.715 10.052 -7.569 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -7.858 11.123 -6.479 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -6.788 9.494 -8.738 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -6.151 10.972 -8.045 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.171 8.329 -7.546 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -4.695 9.778 -6.683 1.00 0.00 H new ATOM 1131 N SER A 71 -9.897 7.860 -6.009 1.00 0.00 N ATOM 1132 CA SER A 71 -10.792 6.763 -6.371 1.00 0.00 C ATOM 1133 C SER A 71 -11.085 6.784 -7.868 1.00 0.00 C ATOM 1134 O SER A 71 -10.472 7.535 -8.625 1.00 0.00 O ATOM 1135 CB SER A 71 -12.108 6.874 -5.600 1.00 0.00 C ATOM 1136 OG SER A 71 -11.841 7.312 -4.274 1.00 0.00 O ATOM 0 H SER A 71 -10.342 8.620 -5.495 1.00 0.00 H new ATOM 0 HA SER A 71 -10.299 5.825 -6.114 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.777 7.575 -6.099 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.614 5.909 -5.581 1.00 0.00 H new ATOM 0 HG SER A 71 -12.683 7.386 -3.778 1.00 0.00 H new ATOM 1142 N LYS A 72 -12.032 5.943 -8.283 1.00 0.00 N ATOM 1143 CA LYS A 72 -12.411 5.862 -9.694 1.00 0.00 C ATOM 1144 C LYS A 72 -11.227 5.408 -10.541 1.00 0.00 C ATOM 1145 O LYS A 72 -10.070 5.662 -10.207 1.00 0.00 O ATOM 1146 CB LYS A 72 -12.902 7.219 -10.203 1.00 0.00 C ATOM 1147 CG LYS A 72 -14.407 7.344 -9.955 1.00 0.00 C ATOM 1148 CD LYS A 72 -15.156 6.356 -10.851 1.00 0.00 C ATOM 1149 CE LYS A 72 -16.524 6.934 -11.216 1.00 0.00 C ATOM 1150 NZ LYS A 72 -17.133 6.119 -12.307 1.00 0.00 N ATOM 0 H LYS A 72 -12.547 5.313 -7.668 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.218 5.134 -9.780 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -12.371 8.024 -9.695 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -12.689 7.319 -11.267 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -14.632 7.143 -8.907 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -14.737 8.362 -10.163 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -14.580 6.159 -11.755 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.278 5.403 -10.337 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -17.175 6.935 -10.342 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -16.419 7.970 -11.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -18.063 6.512 -12.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -16.514 6.140 -13.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -17.247 5.137 -11.984 1.00 0.00 H new ATOM 1164 N ARG A 73 -11.532 4.731 -11.644 1.00 0.00 N ATOM 1165 CA ARG A 73 -10.487 4.241 -12.540 1.00 0.00 C ATOM 1166 C ARG A 73 -11.099 3.717 -13.834 1.00 0.00 C ATOM 1167 O ARG A 73 -10.608 3.994 -14.929 1.00 0.00 O ATOM 1168 CB ARG A 73 -9.694 3.116 -11.872 1.00 0.00 C ATOM 1169 CG ARG A 73 -8.475 2.771 -12.730 1.00 0.00 C ATOM 1170 CD ARG A 73 -7.814 1.502 -12.192 1.00 0.00 C ATOM 1171 NE ARG A 73 -8.375 0.312 -12.839 1.00 0.00 N ATOM 1172 CZ ARG A 73 -8.010 -0.929 -12.488 1.00 0.00 C ATOM 1173 NH1 ARG A 73 -7.126 -1.136 -11.541 1.00 0.00 N ATOM 1174 NH2 ARG A 73 -8.543 -1.950 -13.100 1.00 0.00 N ATOM 0 H ARG A 73 -12.484 4.510 -11.938 1.00 0.00 H new ATOM 0 HA ARG A 73 -9.818 5.072 -12.765 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -9.376 3.423 -10.876 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -10.325 2.236 -11.748 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -8.777 2.625 -13.767 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -7.764 3.597 -12.719 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -6.739 1.544 -12.366 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -7.960 1.439 -11.114 1.00 0.00 H new ATOM 0 HE ARG A 73 -9.065 0.432 -13.580 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.703 -0.344 -11.057 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -6.862 -2.089 -11.289 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.231 -1.800 -13.838 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -8.272 -2.898 -12.840 1.00 0.00 H new ATOM 1188 N LYS A 74 -12.180 2.954 -13.696 1.00 0.00 N ATOM 1189 CA LYS A 74 -12.858 2.390 -14.861 1.00 0.00 C ATOM 1190 C LYS A 74 -14.189 3.099 -15.096 1.00 0.00 C ATOM 1191 O LYS A 74 -14.502 3.997 -14.333 1.00 0.00 O ATOM 1192 CB LYS A 74 -13.117 0.897 -14.661 1.00 0.00 C ATOM 1193 CG LYS A 74 -13.350 0.231 -16.019 1.00 0.00 C ATOM 1194 CD LYS A 74 -13.417 -1.287 -15.840 1.00 0.00 C ATOM 1195 CE LYS A 74 -13.012 -1.973 -17.146 1.00 0.00 C ATOM 1196 NZ LYS A 74 -14.003 -1.640 -18.208 1.00 0.00 N ATOM 1197 OXT LYS A 74 -14.874 2.731 -16.036 1.00 0.00 O ATOM 0 H LYS A 74 -12.602 2.713 -12.799 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.212 2.531 -15.727 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.268 0.434 -14.158 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.986 0.751 -14.019 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.277 0.597 -16.461 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -12.545 0.491 -16.706 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.754 -1.598 -15.033 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -14.426 -1.586 -15.557 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.016 -1.647 -17.447 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.965 -3.053 -17.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.873 -2.280 -19.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -14.966 -1.750 -17.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.863 -0.657 -18.518 1.00 0.00 H new TER 1211 LYS A 74