USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 606 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 SER OG : rot -157:sc= -0.901 USER MOD Set 1.2: A 49 GLN : amide:sc= -0.612 K(o=-1.5,f=-5.4!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -135:sc= 0.834 (180deg=0.0696) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 160:sc= 0.601 (180deg=0.389) USER MOD Single : A 32 THR OG1 : rot -63:sc= 0.862 USER MOD Single : A 34 LYS NZ :NH3+ 168:sc= -0.0349 (180deg=-0.175) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= -1.09 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 51 LYS NZ :NH3+ 171:sc= -0.0162 (180deg=-0.096) USER MOD Single : A 55 SER OG : rot 44:sc= 0.656 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 140:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 62 THR OG1 : rot 74:sc= 0.108 USER MOD Single : A 64 GLN : amide:sc= -0.312 K(o=-0.31,f=-4.2!) USER MOD Single : A 72 LYS NZ :NH3+ -164:sc= 0.793 (180deg=0.661) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= 0.0351 X(o=0.035,f=-0.11) USER MOD Single : A 79 THR OG1 : rot 150:sc= -0.131 USER MOD Single : A 81 SER OG : rot -156:sc= 0.00261 USER MOD Single : A 82 GLN : amide:sc= -0.0592 X(o=-0.059,f=-0.3) USER MOD Single : A 83 HIS : no HD1:sc= -1.2 K(o=-1.2,f=-3!) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -0.124 X(o=-0.12,f=-0.01) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N ILE A 25 -11.678 12.739 7.242 1.00 0.00 N ATOM 38 CA ILE A 25 -10.422 11.978 7.280 1.00 0.00 C ATOM 39 C ILE A 25 -9.895 11.801 5.829 1.00 0.00 C ATOM 40 O ILE A 25 -10.667 11.947 4.868 1.00 0.00 O ATOM 41 CB ILE A 25 -10.675 10.610 8.009 1.00 0.00 C ATOM 42 CG1 ILE A 25 -9.340 9.956 8.462 1.00 0.00 C ATOM 43 CG2 ILE A 25 -11.506 9.641 7.135 1.00 0.00 C ATOM 44 CD1 ILE A 25 -9.498 8.794 9.415 1.00 0.00 C ATOM 0 HA ILE A 25 -9.653 12.508 7.843 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.261 10.824 8.903 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -8.801 9.613 7.579 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -8.721 10.717 8.938 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.660 8.706 7.674 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -12.472 10.093 6.909 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -10.973 9.441 6.206 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.515 8.401 9.676 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -10.006 9.131 10.319 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -10.087 8.010 8.939 1.00 0.00 H new ATOM 56 N MET A 26 -8.597 11.482 5.662 1.00 0.00 N ATOM 57 CA MET A 26 -7.975 11.419 4.320 1.00 0.00 C ATOM 58 C MET A 26 -8.318 10.079 3.662 1.00 0.00 C ATOM 59 O MET A 26 -7.803 9.025 4.062 1.00 0.00 O ATOM 60 CB MET A 26 -6.438 11.616 4.397 1.00 0.00 C ATOM 61 CG MET A 26 -6.020 12.975 4.952 1.00 0.00 C ATOM 62 SD MET A 26 -6.756 14.342 4.028 1.00 0.00 S ATOM 63 CE MET A 26 -6.070 15.761 4.878 1.00 0.00 C ATOM 0 H MET A 26 -7.962 11.265 6.430 1.00 0.00 H new ATOM 0 HA MET A 26 -8.374 12.232 3.713 1.00 0.00 H new ATOM 0 HB2 MET A 26 -6.011 10.832 5.022 1.00 0.00 H new ATOM 0 HB3 MET A 26 -6.015 11.495 3.400 1.00 0.00 H new ATOM 0 HG2 MET A 26 -6.315 13.045 5.999 1.00 0.00 H new ATOM 0 HG3 MET A 26 -4.934 13.060 4.921 1.00 0.00 H new ATOM 0 HE1 MET A 26 -6.439 16.676 4.414 1.00 0.00 H new ATOM 0 HE2 MET A 26 -6.371 15.738 5.925 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.982 15.734 4.812 1.00 0.00 H new ATOM 73 N LYS A 27 -9.239 10.143 2.686 1.00 0.00 N ATOM 74 CA LYS A 27 -9.691 8.979 1.924 1.00 0.00 C ATOM 75 C LYS A 27 -8.729 8.731 0.751 1.00 0.00 C ATOM 76 O LYS A 27 -8.747 9.468 -0.242 1.00 0.00 O ATOM 77 CB LYS A 27 -11.137 9.194 1.417 1.00 0.00 C ATOM 78 CG LYS A 27 -12.167 9.625 2.488 1.00 0.00 C ATOM 79 CD LYS A 27 -12.243 8.675 3.702 1.00 0.00 C ATOM 80 CE LYS A 27 -12.566 7.214 3.325 1.00 0.00 C ATOM 81 NZ LYS A 27 -13.878 7.067 2.644 1.00 0.00 N ATOM 0 H LYS A 27 -9.691 11.013 2.406 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.691 8.101 2.571 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.118 9.950 0.632 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.483 8.268 0.959 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -11.915 10.626 2.838 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.152 9.687 2.026 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.292 8.702 4.234 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.004 9.040 4.391 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.780 6.830 2.674 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.560 6.602 4.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.391 6.259 3.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.437 7.934 2.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.726 6.905 1.628 1.00 0.00 H new ATOM 95 N VAL A 28 -7.873 7.713 0.902 1.00 0.00 N ATOM 96 CA VAL A 28 -6.786 7.405 -0.037 1.00 0.00 C ATOM 97 C VAL A 28 -7.108 6.140 -0.845 1.00 0.00 C ATOM 98 O VAL A 28 -7.188 5.049 -0.279 1.00 0.00 O ATOM 99 CB VAL A 28 -5.437 7.189 0.744 1.00 0.00 C ATOM 100 CG1 VAL A 28 -4.264 6.929 -0.223 1.00 0.00 C ATOM 101 CG2 VAL A 28 -5.149 8.376 1.694 1.00 0.00 C ATOM 0 H VAL A 28 -7.916 7.070 1.692 1.00 0.00 H new ATOM 0 HA VAL A 28 -6.682 8.248 -0.720 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.545 6.297 1.361 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.347 6.784 0.348 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.470 6.035 -0.812 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.145 7.784 -0.889 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.211 8.201 2.221 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.073 9.296 1.114 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.960 8.469 2.417 1.00 0.00 H new ATOM 111 N THR A 29 -7.244 6.285 -2.166 1.00 0.00 N ATOM 112 CA THR A 29 -7.443 5.150 -3.068 1.00 0.00 C ATOM 113 C THR A 29 -6.071 4.528 -3.389 1.00 0.00 C ATOM 114 O THR A 29 -5.170 5.203 -3.834 1.00 0.00 O ATOM 115 CB THR A 29 -8.157 5.606 -4.385 1.00 0.00 C ATOM 116 OG1 THR A 29 -9.402 6.244 -4.067 1.00 0.00 O ATOM 117 CG2 THR A 29 -8.424 4.434 -5.350 1.00 0.00 C ATOM 0 H THR A 29 -7.219 7.189 -2.638 1.00 0.00 H new ATOM 0 HA THR A 29 -8.080 4.410 -2.584 1.00 0.00 H new ATOM 0 HB THR A 29 -7.485 6.303 -4.886 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.844 6.529 -4.894 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.920 4.806 -6.246 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.478 3.968 -5.626 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.062 3.698 -4.861 1.00 0.00 H new ATOM 125 N VAL A 30 -5.906 3.248 -3.093 1.00 0.00 N ATOM 126 CA VAL A 30 -4.681 2.497 -3.378 1.00 0.00 C ATOM 127 C VAL A 30 -4.930 1.587 -4.577 1.00 0.00 C ATOM 128 O VAL A 30 -5.812 0.726 -4.528 1.00 0.00 O ATOM 129 CB VAL A 30 -4.244 1.666 -2.122 1.00 0.00 C ATOM 130 CG1 VAL A 30 -3.074 0.704 -2.422 1.00 0.00 C ATOM 131 CG2 VAL A 30 -3.885 2.613 -0.965 1.00 0.00 C ATOM 0 H VAL A 30 -6.628 2.688 -2.640 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.871 3.187 -3.614 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.091 1.044 -1.833 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.813 0.155 -1.517 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.371 0.001 -3.200 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.210 1.276 -2.761 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.583 2.028 -0.096 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.064 3.263 -1.268 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.753 3.220 -0.709 1.00 0.00 H new ATOM 141 N LYS A 31 -4.148 1.792 -5.642 1.00 0.00 N ATOM 142 CA LYS A 31 -4.268 1.041 -6.890 1.00 0.00 C ATOM 143 C LYS A 31 -3.243 -0.106 -6.832 1.00 0.00 C ATOM 144 O LYS A 31 -2.037 0.127 -6.719 1.00 0.00 O ATOM 145 CB LYS A 31 -4.015 1.981 -8.117 1.00 0.00 C ATOM 146 CG LYS A 31 -4.659 1.519 -9.456 1.00 0.00 C ATOM 147 CD LYS A 31 -4.117 0.168 -9.976 1.00 0.00 C ATOM 148 CE LYS A 31 -4.848 -0.349 -11.218 1.00 0.00 C ATOM 149 NZ LYS A 31 -4.380 -1.707 -11.593 1.00 0.00 N ATOM 0 H LYS A 31 -3.407 2.492 -5.659 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.272 0.634 -7.009 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.393 2.975 -7.876 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.939 2.076 -8.265 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.738 1.439 -9.321 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.488 2.284 -10.213 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.057 0.276 -10.207 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.196 -0.575 -9.183 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.921 -0.371 -11.028 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.686 0.336 -12.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.092 -2.165 -12.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.482 -1.634 -12.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.238 -2.275 -10.733 1.00 0.00 H new ATOM 163 N THR A 32 -3.757 -1.336 -6.900 1.00 0.00 N ATOM 164 CA THR A 32 -2.972 -2.580 -6.829 1.00 0.00 C ATOM 165 C THR A 32 -3.152 -3.353 -8.158 1.00 0.00 C ATOM 166 O THR A 32 -4.083 -3.047 -8.925 1.00 0.00 O ATOM 167 CB THR A 32 -3.448 -3.466 -5.605 1.00 0.00 C ATOM 168 OG1 THR A 32 -4.619 -4.235 -5.939 1.00 0.00 O ATOM 169 CG2 THR A 32 -3.778 -2.607 -4.381 1.00 0.00 C ATOM 0 H THR A 32 -4.757 -1.504 -7.009 1.00 0.00 H new ATOM 0 HA THR A 32 -1.919 -2.343 -6.680 1.00 0.00 H new ATOM 0 HB THR A 32 -2.619 -4.134 -5.371 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.364 -3.629 -6.135 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.101 -3.250 -3.562 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.892 -2.050 -4.078 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.577 -1.909 -4.631 1.00 0.00 H new ATOM 177 N PRO A 33 -2.273 -4.359 -8.479 1.00 0.00 N ATOM 178 CA PRO A 33 -2.441 -5.212 -9.693 1.00 0.00 C ATOM 179 C PRO A 33 -3.714 -6.112 -9.648 1.00 0.00 C ATOM 180 O PRO A 33 -4.046 -6.773 -10.637 1.00 0.00 O ATOM 181 CB PRO A 33 -1.131 -6.042 -9.716 1.00 0.00 C ATOM 182 CG PRO A 33 -0.678 -6.075 -8.289 1.00 0.00 C ATOM 183 CD PRO A 33 -1.028 -4.719 -7.735 1.00 0.00 C ATOM 0 HA PRO A 33 -2.595 -4.621 -10.596 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.306 -7.047 -10.100 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.381 -5.581 -10.359 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.179 -6.869 -7.735 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.393 -6.265 -8.220 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.198 -4.755 -6.659 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.232 -3.995 -7.908 1.00 0.00 H new ATOM 191 N LYS A 34 -4.408 -6.121 -8.489 1.00 0.00 N ATOM 192 CA LYS A 34 -5.680 -6.839 -8.289 1.00 0.00 C ATOM 193 C LYS A 34 -6.852 -5.906 -8.640 1.00 0.00 C ATOM 194 O LYS A 34 -7.676 -6.202 -9.510 1.00 0.00 O ATOM 195 CB LYS A 34 -5.828 -7.324 -6.806 1.00 0.00 C ATOM 196 CG LYS A 34 -4.848 -8.432 -6.339 1.00 0.00 C ATOM 197 CD LYS A 34 -3.386 -7.956 -6.184 1.00 0.00 C ATOM 198 CE LYS A 34 -2.445 -9.078 -5.713 1.00 0.00 C ATOM 199 NZ LYS A 34 -2.472 -10.242 -6.632 1.00 0.00 N ATOM 0 H LYS A 34 -4.094 -5.622 -7.657 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.687 -7.714 -8.939 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.705 -6.461 -6.151 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.846 -7.688 -6.666 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.193 -8.829 -5.384 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.878 -9.254 -7.055 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.032 -7.566 -7.138 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.350 -7.133 -5.470 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.427 -8.694 -5.643 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.734 -9.398 -4.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.688 -10.885 -6.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.375 -10.747 -6.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.372 -9.912 -7.613 1.00 0.00 H new ATOM 213 N GLU A 35 -6.884 -4.758 -7.949 1.00 0.00 N ATOM 214 CA GLU A 35 -7.981 -3.767 -8.017 1.00 0.00 C ATOM 215 C GLU A 35 -7.553 -2.487 -7.278 1.00 0.00 C ATOM 216 O GLU A 35 -6.417 -2.383 -6.839 1.00 0.00 O ATOM 217 CB GLU A 35 -9.276 -4.340 -7.367 1.00 0.00 C ATOM 218 CG GLU A 35 -9.124 -4.726 -5.877 1.00 0.00 C ATOM 219 CD GLU A 35 -10.435 -5.209 -5.248 1.00 0.00 C ATOM 220 OE1 GLU A 35 -10.733 -6.417 -5.327 1.00 0.00 O ATOM 221 OE2 GLU A 35 -11.184 -4.384 -4.680 1.00 0.00 O ATOM 0 H GLU A 35 -6.136 -4.482 -7.313 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.190 -3.539 -9.062 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.072 -3.601 -7.459 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.591 -5.220 -7.928 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.373 -5.510 -5.785 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.756 -3.865 -5.320 1.00 0.00 H new ATOM 228 N LYS A 36 -8.463 -1.520 -7.127 1.00 0.00 N ATOM 229 CA LYS A 36 -8.233 -0.339 -6.268 1.00 0.00 C ATOM 230 C LYS A 36 -9.175 -0.384 -5.053 1.00 0.00 C ATOM 231 O LYS A 36 -10.252 -0.981 -5.124 1.00 0.00 O ATOM 232 CB LYS A 36 -8.411 0.979 -7.067 1.00 0.00 C ATOM 233 CG LYS A 36 -9.794 1.149 -7.733 1.00 0.00 C ATOM 234 CD LYS A 36 -9.986 2.538 -8.386 1.00 0.00 C ATOM 235 CE LYS A 36 -8.892 2.885 -9.411 1.00 0.00 C ATOM 236 NZ LYS A 36 -9.152 4.186 -10.084 1.00 0.00 N ATOM 0 H LYS A 36 -9.373 -1.526 -7.588 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.203 -0.364 -5.911 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.240 1.821 -6.396 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.643 1.026 -7.839 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.923 0.377 -8.491 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.572 0.995 -6.985 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.958 2.569 -8.878 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.999 3.300 -7.606 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.925 2.923 -8.910 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.833 2.095 -10.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.392 4.382 -10.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.063 4.142 -10.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.183 4.944 -9.373 1.00 0.00 H new ATOM 250 N GLU A 37 -8.747 0.234 -3.940 1.00 0.00 N ATOM 251 CA GLU A 37 -9.519 0.270 -2.681 1.00 0.00 C ATOM 252 C GLU A 37 -9.200 1.546 -1.891 1.00 0.00 C ATOM 253 O GLU A 37 -8.040 1.914 -1.763 1.00 0.00 O ATOM 254 CB GLU A 37 -9.188 -0.970 -1.812 1.00 0.00 C ATOM 255 CG GLU A 37 -9.997 -1.071 -0.507 1.00 0.00 C ATOM 256 CD GLU A 37 -11.509 -1.154 -0.759 1.00 0.00 C ATOM 257 OE1 GLU A 37 -11.999 -2.253 -1.093 1.00 0.00 O ATOM 258 OE2 GLU A 37 -12.217 -0.128 -0.637 1.00 0.00 O ATOM 0 H GLU A 37 -7.854 0.725 -3.885 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.580 0.262 -2.932 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.363 -1.869 -2.403 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.126 -0.952 -1.566 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.675 -1.952 0.049 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.783 -0.204 0.118 1.00 0.00 H new ATOM 265 N GLU A 38 -10.230 2.173 -1.305 1.00 0.00 N ATOM 266 CA GLU A 38 -10.092 3.450 -0.602 1.00 0.00 C ATOM 267 C GLU A 38 -10.035 3.198 0.913 1.00 0.00 C ATOM 268 O GLU A 38 -10.916 2.547 1.482 1.00 0.00 O ATOM 269 CB GLU A 38 -11.256 4.392 -0.975 1.00 0.00 C ATOM 270 CG GLU A 38 -11.167 5.795 -0.357 1.00 0.00 C ATOM 271 CD GLU A 38 -12.298 6.722 -0.821 1.00 0.00 C ATOM 272 OE1 GLU A 38 -13.398 6.681 -0.225 1.00 0.00 O ATOM 273 OE2 GLU A 38 -12.092 7.496 -1.783 1.00 0.00 O ATOM 0 H GLU A 38 -11.182 1.806 -1.307 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.164 3.937 -0.904 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.294 4.489 -2.060 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -12.193 3.931 -0.663 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.195 5.711 0.729 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.207 6.242 -0.618 1.00 0.00 H new ATOM 280 N PHE A 39 -8.971 3.702 1.536 1.00 0.00 N ATOM 281 CA PHE A 39 -8.707 3.600 2.977 1.00 0.00 C ATOM 282 C PHE A 39 -8.909 4.973 3.634 1.00 0.00 C ATOM 283 O PHE A 39 -9.005 5.989 2.944 1.00 0.00 O ATOM 284 CB PHE A 39 -7.265 3.082 3.215 1.00 0.00 C ATOM 285 CG PHE A 39 -7.022 1.715 2.585 1.00 0.00 C ATOM 286 CD1 PHE A 39 -7.423 0.549 3.235 1.00 0.00 C ATOM 287 CD2 PHE A 39 -6.433 1.598 1.331 1.00 0.00 C ATOM 288 CE1 PHE A 39 -7.236 -0.686 2.654 1.00 0.00 C ATOM 289 CE2 PHE A 39 -6.251 0.359 0.747 1.00 0.00 C ATOM 290 CZ PHE A 39 -6.650 -0.784 1.410 1.00 0.00 C ATOM 0 H PHE A 39 -8.241 4.211 1.037 1.00 0.00 H new ATOM 0 HA PHE A 39 -9.403 2.892 3.427 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -6.553 3.799 2.805 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -7.076 3.023 4.287 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -7.887 0.615 4.208 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.114 2.487 0.807 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.549 -1.579 3.174 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.796 0.285 -0.230 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.503 -1.753 0.955 1.00 0.00 H new ATOM 300 N ALA A 40 -9.002 4.992 4.965 1.00 0.00 N ATOM 301 CA ALA A 40 -9.174 6.223 5.753 1.00 0.00 C ATOM 302 C ALA A 40 -8.025 6.345 6.764 1.00 0.00 C ATOM 303 O ALA A 40 -7.865 5.471 7.617 1.00 0.00 O ATOM 304 CB ALA A 40 -10.533 6.185 6.458 1.00 0.00 C ATOM 0 H ALA A 40 -8.960 4.147 5.535 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.149 7.096 5.101 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.665 7.095 7.043 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.327 6.113 5.714 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -10.576 5.319 7.119 1.00 0.00 H new ATOM 310 N VAL A 41 -7.218 7.419 6.645 1.00 0.00 N ATOM 311 CA VAL A 41 -6.041 7.672 7.516 1.00 0.00 C ATOM 312 C VAL A 41 -6.034 9.146 7.978 1.00 0.00 C ATOM 313 O VAL A 41 -6.339 10.033 7.182 1.00 0.00 O ATOM 314 CB VAL A 41 -4.679 7.315 6.797 1.00 0.00 C ATOM 315 CG1 VAL A 41 -4.542 5.792 6.599 1.00 0.00 C ATOM 316 CG2 VAL A 41 -4.522 8.055 5.445 1.00 0.00 C ATOM 0 H VAL A 41 -7.361 8.142 5.940 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.128 7.019 8.384 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.876 7.655 7.451 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.597 5.573 6.102 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.566 5.295 7.569 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.367 5.429 5.985 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.572 7.779 4.987 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.340 7.776 4.780 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.544 9.131 5.615 1.00 0.00 H new ATOM 326 N PRO A 42 -5.724 9.437 9.285 1.00 0.00 N ATOM 327 CA PRO A 42 -5.822 10.810 9.861 1.00 0.00 C ATOM 328 C PRO A 42 -4.598 11.710 9.538 1.00 0.00 C ATOM 329 O PRO A 42 -4.122 12.445 10.405 1.00 0.00 O ATOM 330 CB PRO A 42 -5.937 10.500 11.374 1.00 0.00 C ATOM 331 CG PRO A 42 -5.077 9.290 11.567 1.00 0.00 C ATOM 332 CD PRO A 42 -5.275 8.452 10.317 1.00 0.00 C ATOM 0 HA PRO A 42 -6.652 11.386 9.453 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.589 11.337 11.980 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.970 10.305 11.663 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -4.030 9.568 11.692 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -5.370 8.738 12.460 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.351 7.956 10.019 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -6.020 7.672 10.474 1.00 0.00 H new ATOM 340 N GLU A 43 -4.146 11.670 8.259 1.00 0.00 N ATOM 341 CA GLU A 43 -2.900 12.328 7.724 1.00 0.00 C ATOM 342 C GLU A 43 -1.655 12.235 8.661 1.00 0.00 C ATOM 343 O GLU A 43 -0.697 13.006 8.510 1.00 0.00 O ATOM 344 CB GLU A 43 -3.159 13.811 7.284 1.00 0.00 C ATOM 345 CG GLU A 43 -3.473 14.812 8.415 1.00 0.00 C ATOM 346 CD GLU A 43 -3.408 16.279 7.958 1.00 0.00 C ATOM 347 OE1 GLU A 43 -2.295 16.835 7.875 1.00 0.00 O ATOM 348 OE2 GLU A 43 -4.459 16.882 7.667 1.00 0.00 O ATOM 0 H GLU A 43 -4.651 11.161 7.533 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.646 11.740 6.842 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.281 14.167 6.746 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.990 13.819 6.579 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.468 14.605 8.810 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.768 14.661 9.232 1.00 0.00 H new ATOM 355 N ASN A 44 -1.650 11.244 9.574 1.00 0.00 N ATOM 356 CA ASN A 44 -0.577 11.046 10.575 1.00 0.00 C ATOM 357 C ASN A 44 -0.014 9.618 10.449 1.00 0.00 C ATOM 358 O ASN A 44 1.061 9.313 10.984 1.00 0.00 O ATOM 359 CB ASN A 44 -1.140 11.296 12.006 1.00 0.00 C ATOM 360 CG ASN A 44 -0.061 11.302 13.106 1.00 0.00 C ATOM 361 OD1 ASN A 44 0.518 12.342 13.424 1.00 0.00 O ATOM 362 ND2 ASN A 44 0.221 10.141 13.688 1.00 0.00 N ATOM 0 H ASN A 44 -2.396 10.551 9.640 1.00 0.00 H new ATOM 0 HA ASN A 44 0.231 11.756 10.395 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -1.664 12.252 12.018 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.876 10.526 12.236 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.932 10.096 14.418 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.274 9.295 13.405 1.00 0.00 H new ATOM 369 N SER A 45 -0.760 8.744 9.746 1.00 0.00 N ATOM 370 CA SER A 45 -0.352 7.362 9.496 1.00 0.00 C ATOM 371 C SER A 45 0.896 7.308 8.604 1.00 0.00 C ATOM 372 O SER A 45 0.951 7.955 7.550 1.00 0.00 O ATOM 373 CB SER A 45 -1.509 6.573 8.855 1.00 0.00 C ATOM 374 OG SER A 45 -2.649 6.569 9.697 1.00 0.00 O ATOM 0 H SER A 45 -1.663 8.984 9.338 1.00 0.00 H new ATOM 0 HA SER A 45 -0.101 6.902 10.452 1.00 0.00 H new ATOM 0 HB2 SER A 45 -1.765 7.015 7.892 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.192 5.548 8.662 1.00 0.00 H new ATOM 0 HG SER A 45 -3.371 6.064 9.268 1.00 0.00 H new ATOM 380 N SER A 46 1.901 6.568 9.072 1.00 0.00 N ATOM 381 CA SER A 46 3.083 6.220 8.280 1.00 0.00 C ATOM 382 C SER A 46 2.743 5.086 7.310 1.00 0.00 C ATOM 383 O SER A 46 1.637 4.542 7.358 1.00 0.00 O ATOM 384 CB SER A 46 4.236 5.810 9.222 1.00 0.00 C ATOM 385 OG SER A 46 3.862 4.709 10.039 1.00 0.00 O ATOM 0 H SER A 46 1.919 6.190 10.019 1.00 0.00 H new ATOM 0 HA SER A 46 3.401 7.085 7.698 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.115 5.548 8.633 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.514 6.656 9.851 1.00 0.00 H new ATOM 0 HG SER A 46 4.420 4.695 10.844 1.00 0.00 H new ATOM 391 N VAL A 47 3.693 4.730 6.436 1.00 0.00 N ATOM 392 CA VAL A 47 3.579 3.521 5.601 1.00 0.00 C ATOM 393 C VAL A 47 3.577 2.266 6.503 1.00 0.00 C ATOM 394 O VAL A 47 2.901 1.290 6.197 1.00 0.00 O ATOM 395 CB VAL A 47 4.732 3.473 4.533 1.00 0.00 C ATOM 396 CG1 VAL A 47 4.772 2.141 3.747 1.00 0.00 C ATOM 397 CG2 VAL A 47 4.616 4.679 3.568 1.00 0.00 C ATOM 0 H VAL A 47 4.551 5.261 6.287 1.00 0.00 H new ATOM 0 HA VAL A 47 2.637 3.547 5.053 1.00 0.00 H new ATOM 0 HB VAL A 47 5.674 3.535 5.077 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.588 2.169 3.025 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.928 1.314 4.440 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.828 2.000 3.221 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.420 4.635 2.833 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.654 4.645 3.057 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.693 5.607 4.135 1.00 0.00 H new ATOM 407 N GLN A 48 4.290 2.358 7.651 1.00 0.00 N ATOM 408 CA GLN A 48 4.316 1.322 8.711 1.00 0.00 C ATOM 409 C GLN A 48 2.904 1.046 9.285 1.00 0.00 C ATOM 410 O GLN A 48 2.602 -0.069 9.710 1.00 0.00 O ATOM 411 CB GLN A 48 5.258 1.778 9.859 1.00 0.00 C ATOM 412 CG GLN A 48 5.409 0.768 11.016 1.00 0.00 C ATOM 413 CD GLN A 48 6.136 1.331 12.241 1.00 0.00 C ATOM 414 OE1 GLN A 48 6.981 2.219 12.134 1.00 0.00 O ATOM 415 NE2 GLN A 48 5.820 0.805 13.414 1.00 0.00 N ATOM 0 H GLN A 48 4.872 3.167 7.870 1.00 0.00 H new ATOM 0 HA GLN A 48 4.682 0.398 8.263 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.244 1.980 9.441 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.885 2.719 10.264 1.00 0.00 H new ATOM 0 HG2 GLN A 48 4.419 0.426 11.318 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.951 -0.106 10.654 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.115 0.070 13.470 1.00 0.00 H new ATOM 0 HE22 GLN A 48 6.281 1.135 14.262 1.00 0.00 H new ATOM 424 N GLN A 49 2.055 2.079 9.312 1.00 0.00 N ATOM 425 CA GLN A 49 0.661 1.955 9.780 1.00 0.00 C ATOM 426 C GLN A 49 -0.283 1.619 8.608 1.00 0.00 C ATOM 427 O GLN A 49 -1.225 0.833 8.753 1.00 0.00 O ATOM 428 CB GLN A 49 0.224 3.273 10.475 1.00 0.00 C ATOM 429 CG GLN A 49 1.021 3.614 11.746 1.00 0.00 C ATOM 430 CD GLN A 49 0.639 4.967 12.352 1.00 0.00 C ATOM 431 OE1 GLN A 49 1.241 5.994 12.036 1.00 0.00 O ATOM 432 NE2 GLN A 49 -0.374 4.985 13.206 1.00 0.00 N ATOM 0 H GLN A 49 2.308 3.021 9.013 1.00 0.00 H new ATOM 0 HA GLN A 49 0.603 1.138 10.499 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.325 4.095 9.766 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.833 3.201 10.732 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.861 2.832 12.488 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.085 3.616 11.510 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.853 4.117 13.448 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.675 5.867 13.622 1.00 0.00 H new ATOM 441 N PHE A 50 0.018 2.197 7.438 1.00 0.00 N ATOM 442 CA PHE A 50 -0.879 2.193 6.269 1.00 0.00 C ATOM 443 C PHE A 50 -0.930 0.812 5.589 1.00 0.00 C ATOM 444 O PHE A 50 -2.006 0.358 5.172 1.00 0.00 O ATOM 445 CB PHE A 50 -0.428 3.291 5.271 1.00 0.00 C ATOM 446 CG PHE A 50 -1.393 3.540 4.116 1.00 0.00 C ATOM 447 CD1 PHE A 50 -2.732 3.837 4.364 1.00 0.00 C ATOM 448 CD2 PHE A 50 -0.964 3.504 2.794 1.00 0.00 C ATOM 449 CE1 PHE A 50 -3.611 4.079 3.332 1.00 0.00 C ATOM 450 CE2 PHE A 50 -1.846 3.745 1.761 1.00 0.00 C ATOM 451 CZ PHE A 50 -3.168 4.038 2.035 1.00 0.00 C ATOM 0 H PHE A 50 0.898 2.685 7.272 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.891 2.410 6.610 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.289 4.224 5.817 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.543 3.013 4.861 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.086 3.878 5.383 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.070 3.285 2.574 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.647 4.301 3.544 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.503 3.705 0.738 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.855 4.235 1.225 1.00 0.00 H new ATOM 461 N LYS A 51 0.237 0.137 5.516 1.00 0.00 N ATOM 462 CA LYS A 51 0.364 -1.174 4.838 1.00 0.00 C ATOM 463 C LYS A 51 -0.380 -2.283 5.627 1.00 0.00 C ATOM 464 O LYS A 51 -0.674 -3.346 5.084 1.00 0.00 O ATOM 465 CB LYS A 51 1.876 -1.545 4.560 1.00 0.00 C ATOM 466 CG LYS A 51 2.616 -2.416 5.612 1.00 0.00 C ATOM 467 CD LYS A 51 2.835 -1.704 6.959 1.00 0.00 C ATOM 468 CE LYS A 51 3.604 -2.548 7.983 1.00 0.00 C ATOM 469 NZ LYS A 51 4.941 -2.958 7.501 1.00 0.00 N ATOM 0 H LYS A 51 1.109 0.479 5.920 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.118 -1.094 3.863 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.922 -2.065 3.603 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.433 -0.615 4.445 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.045 -3.329 5.782 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.583 -2.716 5.208 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.378 -0.775 6.785 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.866 -1.433 7.379 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.715 -1.979 8.906 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.022 -3.437 8.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.474 -3.392 8.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.836 -3.647 6.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.455 -2.124 7.153 1.00 0.00 H new ATOM 483 N GLU A 52 -0.671 -2.001 6.918 1.00 0.00 N ATOM 484 CA GLU A 52 -1.440 -2.903 7.803 1.00 0.00 C ATOM 485 C GLU A 52 -2.940 -2.887 7.440 1.00 0.00 C ATOM 486 O GLU A 52 -3.595 -3.933 7.425 1.00 0.00 O ATOM 487 CB GLU A 52 -1.244 -2.502 9.282 1.00 0.00 C ATOM 488 CG GLU A 52 0.224 -2.446 9.724 1.00 0.00 C ATOM 489 CD GLU A 52 0.394 -2.135 11.218 1.00 0.00 C ATOM 490 OE1 GLU A 52 0.002 -1.031 11.657 1.00 0.00 O ATOM 491 OE2 GLU A 52 0.925 -2.992 11.958 1.00 0.00 O ATOM 0 H GLU A 52 -0.377 -1.138 7.376 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.065 -3.917 7.660 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.700 -1.526 9.447 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.776 -3.213 9.914 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.700 -3.401 9.502 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.744 -1.687 9.140 1.00 0.00 H new ATOM 498 N GLU A 53 -3.459 -1.671 7.161 1.00 0.00 N ATOM 499 CA GLU A 53 -4.845 -1.446 6.680 1.00 0.00 C ATOM 500 C GLU A 53 -5.079 -2.158 5.343 1.00 0.00 C ATOM 501 O GLU A 53 -6.148 -2.724 5.088 1.00 0.00 O ATOM 502 CB GLU A 53 -5.107 0.082 6.527 1.00 0.00 C ATOM 503 CG GLU A 53 -5.074 0.868 7.850 1.00 0.00 C ATOM 504 CD GLU A 53 -6.284 0.564 8.750 1.00 0.00 C ATOM 505 OE1 GLU A 53 -6.267 -0.434 9.497 1.00 0.00 O ATOM 506 OE2 GLU A 53 -7.271 1.316 8.705 1.00 0.00 O ATOM 0 H GLU A 53 -2.925 -0.808 7.264 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.539 -1.859 7.412 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.361 0.500 5.851 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.080 0.226 6.057 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.157 0.628 8.388 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.047 1.936 7.633 1.00 0.00 H new ATOM 513 N ILE A 54 -4.049 -2.101 4.507 1.00 0.00 N ATOM 514 CA ILE A 54 -4.019 -2.772 3.209 1.00 0.00 C ATOM 515 C ILE A 54 -3.957 -4.313 3.378 1.00 0.00 C ATOM 516 O ILE A 54 -4.643 -5.055 2.661 1.00 0.00 O ATOM 517 CB ILE A 54 -2.784 -2.269 2.388 1.00 0.00 C ATOM 518 CG1 ILE A 54 -2.854 -0.720 2.156 1.00 0.00 C ATOM 519 CG2 ILE A 54 -2.660 -3.022 1.061 1.00 0.00 C ATOM 520 CD1 ILE A 54 -1.673 -0.134 1.403 1.00 0.00 C ATOM 0 H ILE A 54 -3.197 -1.580 4.713 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.936 -2.530 2.672 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.888 -2.477 2.972 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.767 -0.490 1.607 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.931 -0.225 3.124 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.794 -2.652 0.512 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.537 -4.087 1.257 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.560 -2.864 0.467 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.810 0.941 1.291 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.755 -0.327 1.959 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.604 -0.596 0.418 1.00 0.00 H new ATOM 532 N SER A 55 -3.135 -4.758 4.344 1.00 0.00 N ATOM 533 CA SER A 55 -2.893 -6.185 4.639 1.00 0.00 C ATOM 534 C SER A 55 -4.190 -6.918 4.985 1.00 0.00 C ATOM 535 O SER A 55 -4.497 -7.962 4.410 1.00 0.00 O ATOM 536 CB SER A 55 -1.893 -6.301 5.808 1.00 0.00 C ATOM 537 OG SER A 55 -1.595 -7.645 6.152 1.00 0.00 O ATOM 0 H SER A 55 -2.611 -4.129 4.952 1.00 0.00 H new ATOM 0 HA SER A 55 -2.479 -6.654 3.746 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.970 -5.787 5.541 1.00 0.00 H new ATOM 0 HB3 SER A 55 -2.301 -5.791 6.680 1.00 0.00 H new ATOM 0 HG SER A 55 -1.446 -8.166 5.336 1.00 0.00 H new ATOM 543 N LYS A 56 -4.956 -6.329 5.910 1.00 0.00 N ATOM 544 CA LYS A 56 -6.218 -6.910 6.402 1.00 0.00 C ATOM 545 C LYS A 56 -7.348 -6.805 5.357 1.00 0.00 C ATOM 546 O LYS A 56 -8.393 -7.444 5.503 1.00 0.00 O ATOM 547 CB LYS A 56 -6.635 -6.210 7.722 1.00 0.00 C ATOM 548 CG LYS A 56 -6.868 -4.686 7.579 1.00 0.00 C ATOM 549 CD LYS A 56 -7.279 -3.997 8.895 1.00 0.00 C ATOM 550 CE LYS A 56 -8.639 -4.482 9.426 1.00 0.00 C ATOM 551 NZ LYS A 56 -8.993 -3.847 10.720 1.00 0.00 N ATOM 0 H LYS A 56 -4.721 -5.435 6.341 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.050 -7.971 6.588 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.548 -6.674 8.094 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.862 -6.380 8.472 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.956 -4.221 7.205 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.643 -4.514 6.832 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -6.514 -4.180 9.649 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.320 -2.919 8.738 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.414 -4.262 8.691 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.614 -5.565 9.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.916 -4.203 11.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.268 -4.077 11.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -9.043 -2.815 10.598 1.00 0.00 H new ATOM 565 N ARG A 57 -7.138 -5.981 4.312 1.00 0.00 N ATOM 566 CA ARG A 57 -8.144 -5.763 3.261 1.00 0.00 C ATOM 567 C ARG A 57 -7.992 -6.816 2.149 1.00 0.00 C ATOM 568 O ARG A 57 -8.875 -7.654 1.948 1.00 0.00 O ATOM 569 CB ARG A 57 -8.025 -4.329 2.681 1.00 0.00 C ATOM 570 CG ARG A 57 -9.194 -3.925 1.756 1.00 0.00 C ATOM 571 CD ARG A 57 -10.543 -3.907 2.500 1.00 0.00 C ATOM 572 NE ARG A 57 -11.668 -3.564 1.616 1.00 0.00 N ATOM 573 CZ ARG A 57 -12.880 -3.148 2.018 1.00 0.00 C ATOM 574 NH1 ARG A 57 -13.156 -2.963 3.302 1.00 0.00 N ATOM 575 NH2 ARG A 57 -13.813 -2.898 1.117 1.00 0.00 N ATOM 0 H ARG A 57 -6.275 -5.454 4.175 1.00 0.00 H new ATOM 0 HA ARG A 57 -9.135 -5.869 3.702 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.966 -3.619 3.506 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.091 -4.250 2.125 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.999 -2.938 1.336 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.251 -4.622 0.920 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.721 -4.885 2.947 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.494 -3.187 3.317 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.514 -3.650 0.611 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.440 -3.137 4.008 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -14.084 -2.646 3.584 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.610 -3.021 0.125 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -14.736 -2.582 1.413 1.00 0.00 H new ATOM 589 N PHE A 58 -6.831 -6.789 1.465 1.00 0.00 N ATOM 590 CA PHE A 58 -6.528 -7.703 0.340 1.00 0.00 C ATOM 591 C PHE A 58 -6.094 -9.095 0.853 1.00 0.00 C ATOM 592 O PHE A 58 -5.874 -10.000 0.046 1.00 0.00 O ATOM 593 CB PHE A 58 -5.423 -7.090 -0.574 1.00 0.00 C ATOM 594 CG PHE A 58 -5.799 -5.731 -1.176 1.00 0.00 C ATOM 595 CD1 PHE A 58 -6.605 -5.643 -2.310 1.00 0.00 C ATOM 596 CD2 PHE A 58 -5.353 -4.542 -0.601 1.00 0.00 C ATOM 597 CE1 PHE A 58 -6.953 -4.416 -2.843 1.00 0.00 C ATOM 598 CE2 PHE A 58 -5.702 -3.317 -1.137 1.00 0.00 C ATOM 599 CZ PHE A 58 -6.501 -3.254 -2.258 1.00 0.00 C ATOM 0 H PHE A 58 -6.077 -6.135 1.674 1.00 0.00 H new ATOM 0 HA PHE A 58 -7.438 -7.830 -0.246 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.506 -6.979 0.005 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -5.206 -7.787 -1.383 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -6.963 -6.547 -2.779 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -4.725 -4.579 0.277 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.581 -4.368 -3.720 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.348 -2.407 -0.676 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.772 -2.296 -2.677 1.00 0.00 H new ATOM 609 N LYS A 59 -5.957 -9.236 2.202 1.00 0.00 N ATOM 610 CA LYS A 59 -5.510 -10.482 2.886 1.00 0.00 C ATOM 611 C LYS A 59 -4.087 -10.866 2.452 1.00 0.00 C ATOM 612 O LYS A 59 -3.687 -12.028 2.523 1.00 0.00 O ATOM 613 CB LYS A 59 -6.526 -11.645 2.683 1.00 0.00 C ATOM 614 CG LYS A 59 -7.960 -11.323 3.174 1.00 0.00 C ATOM 615 CD LYS A 59 -7.991 -10.841 4.645 1.00 0.00 C ATOM 616 CE LYS A 59 -9.408 -10.518 5.150 1.00 0.00 C ATOM 617 NZ LYS A 59 -10.247 -11.730 5.289 1.00 0.00 N ATOM 0 H LYS A 59 -6.157 -8.476 2.853 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.478 -10.285 3.958 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.564 -11.899 1.624 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.162 -12.527 3.210 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.395 -10.555 2.535 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.583 -12.212 3.074 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.553 -11.610 5.281 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.367 -9.953 4.742 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.341 -10.013 6.114 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -9.888 -9.824 4.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -11.191 -11.461 5.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -10.335 -12.199 4.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.805 -12.382 5.968 1.00 0.00 H new ATOM 631 N SER A 60 -3.319 -9.839 2.078 1.00 0.00 N ATOM 632 CA SER A 60 -1.955 -9.976 1.563 1.00 0.00 C ATOM 633 C SER A 60 -0.955 -9.608 2.666 1.00 0.00 C ATOM 634 O SER A 60 -1.243 -8.739 3.484 1.00 0.00 O ATOM 635 CB SER A 60 -1.790 -9.048 0.347 1.00 0.00 C ATOM 636 OG SER A 60 -2.799 -9.278 -0.620 1.00 0.00 O ATOM 0 H SER A 60 -3.635 -8.870 2.126 1.00 0.00 H new ATOM 0 HA SER A 60 -1.766 -11.004 1.255 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.827 -8.009 0.673 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.810 -9.206 -0.103 1.00 0.00 H new ATOM 0 HG SER A 60 -3.098 -8.422 -0.990 1.00 0.00 H new ATOM 642 N HIS A 61 0.215 -10.268 2.680 1.00 0.00 N ATOM 643 CA HIS A 61 1.237 -10.062 3.724 1.00 0.00 C ATOM 644 C HIS A 61 1.858 -8.645 3.635 1.00 0.00 C ATOM 645 O HIS A 61 2.265 -8.215 2.551 1.00 0.00 O ATOM 646 CB HIS A 61 2.327 -11.153 3.620 1.00 0.00 C ATOM 647 CG HIS A 61 3.306 -11.167 4.767 1.00 0.00 C ATOM 648 ND1 HIS A 61 4.673 -11.153 4.603 1.00 0.00 N ATOM 649 CD2 HIS A 61 3.099 -11.216 6.104 1.00 0.00 C ATOM 650 CE1 HIS A 61 5.254 -11.198 5.785 1.00 0.00 C ATOM 651 NE2 HIS A 61 4.322 -11.235 6.709 1.00 0.00 N ATOM 0 H HIS A 61 0.479 -10.955 1.974 1.00 0.00 H new ATOM 0 HA HIS A 61 0.754 -10.143 4.698 1.00 0.00 H new ATOM 0 HB2 HIS A 61 1.843 -12.128 3.559 1.00 0.00 H new ATOM 0 HB3 HIS A 61 2.878 -11.012 2.690 1.00 0.00 H new ATOM 0 HD2 HIS A 61 2.140 -11.236 6.601 1.00 0.00 H new ATOM 0 HE1 HIS A 61 6.319 -11.204 5.964 1.00 0.00 H new ATOM 0 HE2 HIS A 61 4.485 -11.272 7.715 1.00 0.00 H new ATOM 660 N THR A 62 1.928 -7.963 4.801 1.00 0.00 N ATOM 661 CA THR A 62 2.419 -6.570 4.958 1.00 0.00 C ATOM 662 C THR A 62 3.769 -6.306 4.261 1.00 0.00 C ATOM 663 O THR A 62 3.924 -5.308 3.558 1.00 0.00 O ATOM 664 CB THR A 62 2.567 -6.223 6.487 1.00 0.00 C ATOM 665 OG1 THR A 62 3.093 -7.368 7.186 1.00 0.00 O ATOM 666 CG2 THR A 62 1.255 -5.789 7.143 1.00 0.00 C ATOM 0 H THR A 62 1.636 -8.377 5.686 1.00 0.00 H new ATOM 0 HA THR A 62 1.676 -5.934 4.477 1.00 0.00 H new ATOM 0 HB THR A 62 3.248 -5.374 6.553 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.044 -7.473 6.973 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.431 -5.566 8.195 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.875 -4.899 6.642 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.523 -6.593 7.060 1.00 0.00 H new ATOM 674 N ASP A 63 4.733 -7.210 4.477 1.00 0.00 N ATOM 675 CA ASP A 63 6.120 -7.043 3.991 1.00 0.00 C ATOM 676 C ASP A 63 6.228 -7.252 2.473 1.00 0.00 C ATOM 677 O ASP A 63 7.174 -6.765 1.840 1.00 0.00 O ATOM 678 CB ASP A 63 7.058 -8.017 4.743 1.00 0.00 C ATOM 679 CG ASP A 63 7.073 -7.757 6.256 1.00 0.00 C ATOM 680 OD1 ASP A 63 6.144 -8.220 6.959 1.00 0.00 O ATOM 681 OD2 ASP A 63 7.980 -7.045 6.744 1.00 0.00 O ATOM 0 H ASP A 63 4.580 -8.077 4.991 1.00 0.00 H new ATOM 0 HA ASP A 63 6.425 -6.016 4.194 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.740 -9.042 4.556 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.070 -7.920 4.350 1.00 0.00 H new ATOM 686 N GLN A 64 5.247 -7.961 1.896 1.00 0.00 N ATOM 687 CA GLN A 64 5.220 -8.257 0.454 1.00 0.00 C ATOM 688 C GLN A 64 4.555 -7.116 -0.325 1.00 0.00 C ATOM 689 O GLN A 64 4.975 -6.788 -1.439 1.00 0.00 O ATOM 690 CB GLN A 64 4.505 -9.604 0.201 1.00 0.00 C ATOM 691 CG GLN A 64 5.198 -10.798 0.877 1.00 0.00 C ATOM 692 CD GLN A 64 4.604 -12.151 0.501 1.00 0.00 C ATOM 693 OE1 GLN A 64 3.725 -12.678 1.176 1.00 0.00 O ATOM 694 NE2 GLN A 64 5.063 -12.708 -0.599 1.00 0.00 N ATOM 0 H GLN A 64 4.454 -8.344 2.411 1.00 0.00 H new ATOM 0 HA GLN A 64 6.245 -8.343 0.095 1.00 0.00 H new ATOM 0 HB2 GLN A 64 3.479 -9.536 0.563 1.00 0.00 H new ATOM 0 HB3 GLN A 64 4.453 -9.784 -0.873 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.255 -10.790 0.612 1.00 0.00 H new ATOM 0 HG3 GLN A 64 5.140 -10.675 1.958 1.00 0.00 H new ATOM 0 HE21 GLN A 64 5.794 -12.245 -1.138 1.00 0.00 H new ATOM 0 HE22 GLN A 64 4.687 -13.603 -0.912 1.00 0.00 H new ATOM 703 N LEU A 65 3.509 -6.508 0.260 1.00 0.00 N ATOM 704 CA LEU A 65 2.853 -5.342 -0.345 1.00 0.00 C ATOM 705 C LEU A 65 3.635 -4.074 0.060 1.00 0.00 C ATOM 706 O LEU A 65 3.820 -3.793 1.247 1.00 0.00 O ATOM 707 CB LEU A 65 1.328 -5.307 0.010 1.00 0.00 C ATOM 708 CG LEU A 65 0.909 -5.226 1.524 1.00 0.00 C ATOM 709 CD1 LEU A 65 0.819 -3.775 2.030 1.00 0.00 C ATOM 710 CD2 LEU A 65 -0.412 -5.970 1.792 1.00 0.00 C ATOM 0 H LEU A 65 3.103 -6.805 1.147 1.00 0.00 H new ATOM 0 HA LEU A 65 2.878 -5.402 -1.433 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.889 -4.450 -0.501 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.869 -6.201 -0.413 1.00 0.00 H new ATOM 0 HG LEU A 65 1.701 -5.723 2.084 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.526 -3.773 3.080 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.790 -3.291 1.923 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.077 -3.231 1.446 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.666 -5.890 2.849 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.207 -5.527 1.193 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.299 -7.021 1.524 1.00 0.00 H new ATOM 722 N VAL A 66 4.182 -3.371 -0.937 1.00 0.00 N ATOM 723 CA VAL A 66 5.008 -2.168 -0.725 1.00 0.00 C ATOM 724 C VAL A 66 4.352 -0.967 -1.425 1.00 0.00 C ATOM 725 O VAL A 66 3.840 -1.102 -2.545 1.00 0.00 O ATOM 726 CB VAL A 66 6.492 -2.396 -1.233 1.00 0.00 C ATOM 727 CG1 VAL A 66 7.195 -3.508 -0.411 1.00 0.00 C ATOM 728 CG2 VAL A 66 6.544 -2.735 -2.747 1.00 0.00 C ATOM 0 H VAL A 66 4.066 -3.618 -1.920 1.00 0.00 H new ATOM 0 HA VAL A 66 5.067 -1.961 0.344 1.00 0.00 H new ATOM 0 HB VAL A 66 7.025 -1.457 -1.085 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.212 -3.645 -0.779 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.225 -3.220 0.640 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.642 -4.442 -0.515 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.580 -2.883 -3.051 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.977 -3.646 -2.935 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.112 -1.914 -3.319 1.00 0.00 H new ATOM 738 N LEU A 67 4.336 0.193 -0.743 1.00 0.00 N ATOM 739 CA LEU A 67 3.739 1.430 -1.273 1.00 0.00 C ATOM 740 C LEU A 67 4.755 2.100 -2.203 1.00 0.00 C ATOM 741 O LEU A 67 5.958 1.945 -2.016 1.00 0.00 O ATOM 742 CB LEU A 67 3.332 2.400 -0.113 1.00 0.00 C ATOM 743 CG LEU A 67 2.013 2.067 0.673 1.00 0.00 C ATOM 744 CD1 LEU A 67 0.782 2.082 -0.259 1.00 0.00 C ATOM 745 CD2 LEU A 67 2.106 0.738 1.461 1.00 0.00 C ATOM 0 H LEU A 67 4.736 0.298 0.189 1.00 0.00 H new ATOM 0 HA LEU A 67 2.832 1.187 -1.826 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.153 2.433 0.603 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.233 3.402 -0.530 1.00 0.00 H new ATOM 0 HG LEU A 67 1.886 2.858 1.412 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.113 1.848 0.317 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.677 3.070 -0.707 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.912 1.339 -1.046 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.167 0.559 1.984 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.298 -0.082 0.769 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.919 0.800 2.185 1.00 0.00 H new ATOM 757 N ILE A 68 4.252 2.774 -3.243 1.00 0.00 N ATOM 758 CA ILE A 68 5.059 3.503 -4.239 1.00 0.00 C ATOM 759 C ILE A 68 4.349 4.819 -4.580 1.00 0.00 C ATOM 760 O ILE A 68 3.147 4.829 -4.875 1.00 0.00 O ATOM 761 CB ILE A 68 5.306 2.697 -5.595 1.00 0.00 C ATOM 762 CG1 ILE A 68 6.229 1.443 -5.397 1.00 0.00 C ATOM 763 CG2 ILE A 68 5.871 3.610 -6.722 1.00 0.00 C ATOM 764 CD1 ILE A 68 5.519 0.172 -4.962 1.00 0.00 C ATOM 0 H ILE A 68 3.250 2.832 -3.424 1.00 0.00 H new ATOM 0 HA ILE A 68 6.037 3.664 -3.786 1.00 0.00 H new ATOM 0 HB ILE A 68 4.325 2.337 -5.905 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.750 1.245 -6.334 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.989 1.686 -4.655 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.024 3.020 -7.626 1.00 0.00 H new ATOM 0 HG22 ILE A 68 5.164 4.413 -6.928 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.822 4.037 -6.402 1.00 0.00 H new ATOM 0 HD11 ILE A 68 6.247 -0.633 -4.854 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.022 0.342 -4.007 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.779 -0.106 -5.712 1.00 0.00 H new ATOM 776 N PHE A 69 5.116 5.907 -4.567 1.00 0.00 N ATOM 777 CA PHE A 69 4.667 7.220 -5.031 1.00 0.00 C ATOM 778 C PHE A 69 5.887 7.990 -5.534 1.00 0.00 C ATOM 779 O PHE A 69 7.000 7.784 -5.029 1.00 0.00 O ATOM 780 CB PHE A 69 3.927 7.995 -3.919 1.00 0.00 C ATOM 781 CG PHE A 69 3.105 9.183 -4.430 1.00 0.00 C ATOM 782 CD1 PHE A 69 1.842 8.976 -4.995 1.00 0.00 C ATOM 783 CD2 PHE A 69 3.578 10.493 -4.346 1.00 0.00 C ATOM 784 CE1 PHE A 69 1.085 10.038 -5.453 1.00 0.00 C ATOM 785 CE2 PHE A 69 2.819 11.551 -4.806 1.00 0.00 C ATOM 786 CZ PHE A 69 1.573 11.326 -5.356 1.00 0.00 C ATOM 0 H PHE A 69 6.079 5.903 -4.230 1.00 0.00 H new ATOM 0 HA PHE A 69 3.950 7.096 -5.842 1.00 0.00 H new ATOM 0 HB2 PHE A 69 3.265 7.309 -3.390 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.657 8.356 -3.194 1.00 0.00 H new ATOM 0 HD1 PHE A 69 1.453 7.972 -5.074 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.550 10.682 -3.916 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.112 9.860 -5.887 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.202 12.558 -4.735 1.00 0.00 H new ATOM 0 HZ PHE A 69 0.980 12.157 -5.710 1.00 0.00 H new ATOM 796 N ALA A 70 5.655 8.855 -6.539 1.00 0.00 N ATOM 797 CA ALA A 70 6.709 9.564 -7.288 1.00 0.00 C ATOM 798 C ALA A 70 7.576 8.572 -8.101 1.00 0.00 C ATOM 799 O ALA A 70 8.676 8.911 -8.544 1.00 0.00 O ATOM 800 CB ALA A 70 7.567 10.459 -6.361 1.00 0.00 C ATOM 0 H ALA A 70 4.714 9.085 -6.859 1.00 0.00 H new ATOM 0 HA ALA A 70 6.220 10.229 -8.000 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.332 10.965 -6.950 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.930 11.201 -5.880 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.044 9.842 -5.599 1.00 0.00 H new ATOM 806 N GLY A 71 7.040 7.349 -8.313 1.00 0.00 N ATOM 807 CA GLY A 71 7.733 6.284 -9.031 1.00 0.00 C ATOM 808 C GLY A 71 8.599 5.408 -8.127 1.00 0.00 C ATOM 809 O GLY A 71 9.012 4.321 -8.541 1.00 0.00 O ATOM 0 H GLY A 71 6.111 7.084 -7.985 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.997 5.657 -9.535 1.00 0.00 H new ATOM 0 HA3 GLY A 71 8.360 6.726 -9.805 1.00 0.00 H new ATOM 813 N LYS A 72 8.848 5.853 -6.878 1.00 0.00 N ATOM 814 CA LYS A 72 9.795 5.188 -5.947 1.00 0.00 C ATOM 815 C LYS A 72 9.044 4.560 -4.757 1.00 0.00 C ATOM 816 O LYS A 72 7.957 5.019 -4.395 1.00 0.00 O ATOM 817 CB LYS A 72 10.883 6.212 -5.485 1.00 0.00 C ATOM 818 CG LYS A 72 10.370 7.499 -4.761 1.00 0.00 C ATOM 819 CD LYS A 72 10.190 7.340 -3.225 1.00 0.00 C ATOM 820 CE LYS A 72 11.508 7.011 -2.504 1.00 0.00 C ATOM 821 NZ LYS A 72 11.321 6.842 -1.035 1.00 0.00 N ATOM 0 H LYS A 72 8.402 6.681 -6.483 1.00 0.00 H new ATOM 0 HA LYS A 72 10.299 4.372 -6.465 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.573 5.697 -4.817 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.456 6.519 -6.360 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.071 8.312 -4.951 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.416 7.792 -5.199 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.776 8.261 -2.815 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.466 6.550 -3.028 1.00 0.00 H new ATOM 0 HE2 LYS A 72 11.930 6.097 -2.922 1.00 0.00 H new ATOM 0 HE3 LYS A 72 12.229 7.808 -2.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 12.245 6.892 -0.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.704 7.598 -0.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.884 5.918 -0.845 1.00 0.00 H new ATOM 835 N ILE A 73 9.653 3.517 -4.148 1.00 0.00 N ATOM 836 CA ILE A 73 9.049 2.783 -3.015 1.00 0.00 C ATOM 837 C ILE A 73 9.074 3.643 -1.728 1.00 0.00 C ATOM 838 O ILE A 73 10.087 4.272 -1.392 1.00 0.00 O ATOM 839 CB ILE A 73 9.699 1.349 -2.746 1.00 0.00 C ATOM 840 CG1 ILE A 73 11.126 1.405 -2.071 1.00 0.00 C ATOM 841 CG2 ILE A 73 9.741 0.507 -4.050 1.00 0.00 C ATOM 842 CD1 ILE A 73 12.228 2.045 -2.892 1.00 0.00 C ATOM 0 H ILE A 73 10.569 3.164 -4.426 1.00 0.00 H new ATOM 0 HA ILE A 73 8.016 2.592 -3.305 1.00 0.00 H new ATOM 0 HB ILE A 73 9.046 0.862 -2.022 1.00 0.00 H new ATOM 0 HG12 ILE A 73 11.039 1.949 -1.130 1.00 0.00 H new ATOM 0 HG13 ILE A 73 11.429 0.387 -1.824 1.00 0.00 H new ATOM 0 HG21 ILE A 73 10.188 -0.465 -3.841 1.00 0.00 H new ATOM 0 HG22 ILE A 73 8.727 0.367 -4.426 1.00 0.00 H new ATOM 0 HG23 ILE A 73 10.337 1.027 -4.800 1.00 0.00 H new ATOM 0 HD11 ILE A 73 13.160 2.027 -2.327 1.00 0.00 H new ATOM 0 HD12 ILE A 73 12.357 1.492 -3.822 1.00 0.00 H new ATOM 0 HD13 ILE A 73 11.961 3.077 -3.118 1.00 0.00 H new ATOM 854 N LEU A 74 7.924 3.708 -1.055 1.00 0.00 N ATOM 855 CA LEU A 74 7.765 4.382 0.233 1.00 0.00 C ATOM 856 C LEU A 74 8.033 3.358 1.340 1.00 0.00 C ATOM 857 O LEU A 74 7.365 2.315 1.400 1.00 0.00 O ATOM 858 CB LEU A 74 6.324 4.964 0.377 1.00 0.00 C ATOM 859 CG LEU A 74 5.721 5.686 -0.870 1.00 0.00 C ATOM 860 CD1 LEU A 74 4.350 6.331 -0.532 1.00 0.00 C ATOM 861 CD2 LEU A 74 6.708 6.713 -1.481 1.00 0.00 C ATOM 0 H LEU A 74 7.061 3.285 -1.397 1.00 0.00 H new ATOM 0 HA LEU A 74 8.467 5.213 0.305 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.655 4.148 0.652 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.325 5.669 1.208 1.00 0.00 H new ATOM 0 HG LEU A 74 5.549 4.929 -1.635 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.953 6.827 -1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.654 5.558 -0.207 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.479 7.062 0.266 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.247 7.191 -2.345 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.953 7.470 -0.736 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.619 6.202 -1.792 1.00 0.00 H new ATOM 873 N LYS A 75 9.022 3.649 2.184 1.00 0.00 N ATOM 874 CA LYS A 75 9.428 2.770 3.292 1.00 0.00 C ATOM 875 C LYS A 75 8.658 3.134 4.571 1.00 0.00 C ATOM 876 O LYS A 75 7.892 4.095 4.582 1.00 0.00 O ATOM 877 CB LYS A 75 10.960 2.900 3.500 1.00 0.00 C ATOM 878 CG LYS A 75 11.810 2.508 2.268 1.00 0.00 C ATOM 879 CD LYS A 75 11.655 1.025 1.879 1.00 0.00 C ATOM 880 CE LYS A 75 12.114 0.073 2.995 1.00 0.00 C ATOM 881 NZ LYS A 75 11.989 -1.348 2.592 1.00 0.00 N ATOM 0 H LYS A 75 9.571 4.506 2.122 1.00 0.00 H new ATOM 0 HA LYS A 75 9.191 1.734 3.051 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.191 3.930 3.772 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.254 2.274 4.343 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.523 3.132 1.422 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.860 2.716 2.476 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.611 0.823 1.640 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.233 0.827 0.976 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.151 0.288 3.252 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.520 0.250 3.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.308 -1.959 3.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.995 -1.560 2.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.576 -1.523 1.752 1.00 0.00 H new ATOM 895 N ASP A 76 8.885 2.364 5.651 1.00 0.00 N ATOM 896 CA ASP A 76 8.209 2.569 6.957 1.00 0.00 C ATOM 897 C ASP A 76 8.578 3.939 7.583 1.00 0.00 C ATOM 898 O ASP A 76 7.787 4.517 8.337 1.00 0.00 O ATOM 899 CB ASP A 76 8.550 1.411 7.930 1.00 0.00 C ATOM 900 CG ASP A 76 10.052 1.305 8.254 1.00 0.00 C ATOM 901 OD1 ASP A 76 10.812 0.741 7.434 1.00 0.00 O ATOM 902 OD2 ASP A 76 10.485 1.796 9.321 1.00 0.00 O ATOM 0 H ASP A 76 9.540 1.582 5.649 1.00 0.00 H new ATOM 0 HA ASP A 76 7.134 2.571 6.778 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.995 1.551 8.858 1.00 0.00 H new ATOM 0 HB3 ASP A 76 8.213 0.470 7.495 1.00 0.00 H new ATOM 907 N GLN A 77 9.793 4.425 7.256 1.00 0.00 N ATOM 908 CA GLN A 77 10.272 5.781 7.619 1.00 0.00 C ATOM 909 C GLN A 77 9.428 6.875 6.926 1.00 0.00 C ATOM 910 O GLN A 77 9.189 7.944 7.497 1.00 0.00 O ATOM 911 CB GLN A 77 11.762 5.948 7.201 1.00 0.00 C ATOM 912 CG GLN A 77 12.047 5.530 5.740 1.00 0.00 C ATOM 913 CD GLN A 77 13.406 5.945 5.195 1.00 0.00 C ATOM 914 OE1 GLN A 77 14.379 6.096 5.933 1.00 0.00 O ATOM 915 NE2 GLN A 77 13.486 6.121 3.882 1.00 0.00 N ATOM 0 H GLN A 77 10.478 3.885 6.728 1.00 0.00 H new ATOM 0 HA GLN A 77 10.173 5.892 8.699 1.00 0.00 H new ATOM 0 HB2 GLN A 77 12.053 6.990 7.335 1.00 0.00 H new ATOM 0 HB3 GLN A 77 12.386 5.354 7.868 1.00 0.00 H new ATOM 0 HG2 GLN A 77 11.961 4.446 5.667 1.00 0.00 H new ATOM 0 HG3 GLN A 77 11.273 5.955 5.101 1.00 0.00 H new ATOM 0 HE21 GLN A 77 12.660 5.988 3.298 1.00 0.00 H new ATOM 0 HE22 GLN A 77 14.373 6.389 3.457 1.00 0.00 H new ATOM 924 N ASP A 78 8.995 6.581 5.683 1.00 0.00 N ATOM 925 CA ASP A 78 8.160 7.481 4.874 1.00 0.00 C ATOM 926 C ASP A 78 6.706 7.378 5.340 1.00 0.00 C ATOM 927 O ASP A 78 6.285 6.343 5.880 1.00 0.00 O ATOM 928 CB ASP A 78 8.245 7.116 3.356 1.00 0.00 C ATOM 929 CG ASP A 78 9.646 7.315 2.750 1.00 0.00 C ATOM 930 OD1 ASP A 78 9.935 8.431 2.259 1.00 0.00 O ATOM 931 OD2 ASP A 78 10.461 6.368 2.758 1.00 0.00 O ATOM 0 H ASP A 78 9.219 5.704 5.212 1.00 0.00 H new ATOM 0 HA ASP A 78 8.526 8.500 5.004 1.00 0.00 H new ATOM 0 HB2 ASP A 78 7.946 6.076 3.224 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.530 7.726 2.804 1.00 0.00 H new ATOM 936 N THR A 79 5.954 8.463 5.160 1.00 0.00 N ATOM 937 CA THR A 79 4.499 8.467 5.331 1.00 0.00 C ATOM 938 C THR A 79 3.893 8.906 3.997 1.00 0.00 C ATOM 939 O THR A 79 4.477 9.751 3.298 1.00 0.00 O ATOM 940 CB THR A 79 4.027 9.432 6.482 1.00 0.00 C ATOM 941 OG1 THR A 79 4.026 10.783 6.028 1.00 0.00 O ATOM 942 CG2 THR A 79 4.923 9.334 7.735 1.00 0.00 C ATOM 0 H THR A 79 6.337 9.369 4.890 1.00 0.00 H new ATOM 0 HA THR A 79 4.168 7.469 5.618 1.00 0.00 H new ATOM 0 HB THR A 79 3.019 9.121 6.755 1.00 0.00 H new ATOM 0 HG1 THR A 79 3.331 11.287 6.501 1.00 0.00 H new ATOM 0 HG21 THR A 79 4.556 10.019 8.499 1.00 0.00 H new ATOM 0 HG22 THR A 79 4.900 8.314 8.120 1.00 0.00 H new ATOM 0 HG23 THR A 79 5.947 9.599 7.472 1.00 0.00 H new ATOM 950 N LEU A 80 2.743 8.324 3.638 1.00 0.00 N ATOM 951 CA LEU A 80 2.007 8.696 2.414 1.00 0.00 C ATOM 952 C LEU A 80 1.666 10.209 2.404 1.00 0.00 C ATOM 953 O LEU A 80 1.792 10.876 1.378 1.00 0.00 O ATOM 954 CB LEU A 80 0.717 7.835 2.217 1.00 0.00 C ATOM 955 CG LEU A 80 -0.410 7.911 3.307 1.00 0.00 C ATOM 956 CD1 LEU A 80 -1.751 7.400 2.743 1.00 0.00 C ATOM 957 CD2 LEU A 80 -0.044 7.122 4.587 1.00 0.00 C ATOM 0 H LEU A 80 2.295 7.586 4.181 1.00 0.00 H new ATOM 0 HA LEU A 80 2.667 8.487 1.572 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.274 8.117 1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.024 6.793 2.131 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.510 8.961 3.582 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.518 7.462 3.515 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.044 8.013 1.891 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.640 6.364 2.424 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.855 7.205 5.310 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.112 6.073 4.336 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.870 7.531 5.018 1.00 0.00 H new ATOM 969 N SER A 81 1.299 10.740 3.584 1.00 0.00 N ATOM 970 CA SER A 81 0.913 12.151 3.764 1.00 0.00 C ATOM 971 C SER A 81 2.106 13.120 3.532 1.00 0.00 C ATOM 972 O SER A 81 1.904 14.228 3.026 1.00 0.00 O ATOM 973 CB SER A 81 0.295 12.332 5.167 1.00 0.00 C ATOM 974 OG SER A 81 -0.167 13.658 5.387 1.00 0.00 O ATOM 0 H SER A 81 1.262 10.197 4.447 1.00 0.00 H new ATOM 0 HA SER A 81 0.169 12.407 3.010 1.00 0.00 H new ATOM 0 HB2 SER A 81 -0.535 11.636 5.288 1.00 0.00 H new ATOM 0 HB3 SER A 81 1.037 12.078 5.924 1.00 0.00 H new ATOM 0 HG SER A 81 -0.190 13.841 6.350 1.00 0.00 H new ATOM 980 N GLN A 82 3.347 12.688 3.869 1.00 0.00 N ATOM 981 CA GLN A 82 4.584 13.472 3.582 1.00 0.00 C ATOM 982 C GLN A 82 5.002 13.361 2.093 1.00 0.00 C ATOM 983 O GLN A 82 6.009 13.945 1.686 1.00 0.00 O ATOM 984 CB GLN A 82 5.771 13.037 4.499 1.00 0.00 C ATOM 985 CG GLN A 82 5.646 13.433 5.989 1.00 0.00 C ATOM 986 CD GLN A 82 5.559 14.947 6.240 1.00 0.00 C ATOM 987 OE1 GLN A 82 6.082 15.757 5.473 1.00 0.00 O ATOM 988 NE2 GLN A 82 4.931 15.334 7.338 1.00 0.00 N ATOM 0 H GLN A 82 3.522 11.801 4.340 1.00 0.00 H new ATOM 0 HA GLN A 82 4.345 14.514 3.797 1.00 0.00 H new ATOM 0 HB2 GLN A 82 5.876 11.954 4.437 1.00 0.00 H new ATOM 0 HB3 GLN A 82 6.690 13.469 4.103 1.00 0.00 H new ATOM 0 HG2 GLN A 82 4.758 12.957 6.405 1.00 0.00 H new ATOM 0 HG3 GLN A 82 6.505 13.036 6.531 1.00 0.00 H new ATOM 0 HE21 GLN A 82 4.507 14.641 7.954 1.00 0.00 H new ATOM 0 HE22 GLN A 82 4.870 16.326 7.568 1.00 0.00 H new ATOM 997 N HIS A 83 4.242 12.595 1.296 1.00 0.00 N ATOM 998 CA HIS A 83 4.390 12.553 -0.179 1.00 0.00 C ATOM 999 C HIS A 83 3.205 13.264 -0.870 1.00 0.00 C ATOM 1000 O HIS A 83 3.013 13.128 -2.077 1.00 0.00 O ATOM 1001 CB HIS A 83 4.537 11.085 -0.672 1.00 0.00 C ATOM 1002 CG HIS A 83 5.864 10.471 -0.314 1.00 0.00 C ATOM 1003 ND1 HIS A 83 7.017 10.747 -1.010 1.00 0.00 N ATOM 1004 CD2 HIS A 83 6.224 9.613 0.667 1.00 0.00 C ATOM 1005 CE1 HIS A 83 8.025 10.100 -0.471 1.00 0.00 C ATOM 1006 NE2 HIS A 83 7.573 9.399 0.550 1.00 0.00 N ATOM 0 H HIS A 83 3.505 11.985 1.649 1.00 0.00 H new ATOM 0 HA HIS A 83 5.299 13.089 -0.450 1.00 0.00 H new ATOM 0 HB2 HIS A 83 3.737 10.482 -0.242 1.00 0.00 H new ATOM 0 HB3 HIS A 83 4.411 11.057 -1.754 1.00 0.00 H new ATOM 0 HD2 HIS A 83 5.569 9.177 1.407 1.00 0.00 H new ATOM 0 HE1 HIS A 83 9.051 10.136 -0.807 1.00 0.00 H new ATOM 0 HE2 HIS A 83 8.134 8.797 1.153 1.00 0.00 H new ATOM 1015 N GLY A 84 2.426 14.035 -0.081 1.00 0.00 N ATOM 1016 CA GLY A 84 1.306 14.837 -0.599 1.00 0.00 C ATOM 1017 C GLY A 84 0.061 14.019 -0.905 1.00 0.00 C ATOM 1018 O GLY A 84 -0.839 14.485 -1.617 1.00 0.00 O ATOM 0 H GLY A 84 2.558 14.116 0.927 1.00 0.00 H new ATOM 0 HA2 GLY A 84 1.054 15.607 0.130 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.626 15.349 -1.506 1.00 0.00 H new ATOM 1022 N ILE A 85 0.008 12.796 -0.368 1.00 0.00 N ATOM 1023 CA ILE A 85 -1.122 11.889 -0.562 1.00 0.00 C ATOM 1024 C ILE A 85 -2.135 12.121 0.563 1.00 0.00 C ATOM 1025 O ILE A 85 -1.818 11.945 1.747 1.00 0.00 O ATOM 1026 CB ILE A 85 -0.671 10.387 -0.558 1.00 0.00 C ATOM 1027 CG1 ILE A 85 0.509 10.148 -1.556 1.00 0.00 C ATOM 1028 CG2 ILE A 85 -1.865 9.454 -0.869 1.00 0.00 C ATOM 1029 CD1 ILE A 85 1.201 8.808 -1.390 1.00 0.00 C ATOM 0 H ILE A 85 0.750 12.409 0.214 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.568 12.097 -1.535 1.00 0.00 H new ATOM 0 HB ILE A 85 -0.309 10.147 0.442 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.130 10.225 -2.575 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.244 10.942 -1.429 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.528 8.417 -0.861 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.639 9.590 -0.114 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -2.270 9.696 -1.852 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.006 8.722 -2.119 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.613 8.734 -0.384 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.481 8.005 -1.548 1.00 0.00 H new ATOM 1041 N HIS A 86 -3.344 12.521 0.174 1.00 0.00 N ATOM 1042 CA HIS A 86 -4.438 12.827 1.099 1.00 0.00 C ATOM 1043 C HIS A 86 -5.774 12.451 0.441 1.00 0.00 C ATOM 1044 O HIS A 86 -5.795 11.637 -0.497 1.00 0.00 O ATOM 1045 CB HIS A 86 -4.375 14.328 1.528 1.00 0.00 C ATOM 1046 CG HIS A 86 -4.420 15.327 0.401 1.00 0.00 C ATOM 1047 ND1 HIS A 86 -5.593 15.848 -0.102 1.00 0.00 N ATOM 1048 CD2 HIS A 86 -3.424 15.925 -0.293 1.00 0.00 C ATOM 1049 CE1 HIS A 86 -5.315 16.714 -1.053 1.00 0.00 C ATOM 1050 NE2 HIS A 86 -4.007 16.779 -1.188 1.00 0.00 N ATOM 0 H HIS A 86 -3.597 12.644 -0.806 1.00 0.00 H new ATOM 0 HA HIS A 86 -4.342 12.238 2.011 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -5.207 14.530 2.203 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -3.458 14.488 2.095 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -2.365 15.759 -0.164 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -6.038 17.276 -1.626 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -3.509 17.371 -1.853 1.00 0.00 H new ATOM 1059 N ASP A 87 -6.880 13.012 0.961 1.00 0.00 N ATOM 1060 CA ASP A 87 -8.234 12.776 0.430 1.00 0.00 C ATOM 1061 C ASP A 87 -8.327 13.116 -1.075 1.00 0.00 C ATOM 1062 O ASP A 87 -8.068 14.262 -1.469 1.00 0.00 O ATOM 1063 CB ASP A 87 -9.259 13.603 1.239 1.00 0.00 C ATOM 1064 CG ASP A 87 -10.700 13.465 0.722 1.00 0.00 C ATOM 1065 OD1 ASP A 87 -11.297 12.401 0.899 1.00 0.00 O ATOM 1066 OD2 ASP A 87 -11.251 14.427 0.143 1.00 0.00 O ATOM 0 H ASP A 87 -6.860 13.643 1.762 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.461 11.715 0.534 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -9.224 13.290 2.283 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -8.970 14.654 1.211 1.00 0.00 H new ATOM 1071 N GLY A 88 -8.657 12.098 -1.889 1.00 0.00 N ATOM 1072 CA GLY A 88 -8.868 12.263 -3.331 1.00 0.00 C ATOM 1073 C GLY A 88 -7.677 11.838 -4.185 1.00 0.00 C ATOM 1074 O GLY A 88 -7.756 11.889 -5.419 1.00 0.00 O ATOM 0 H GLY A 88 -8.784 11.140 -1.562 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.741 11.682 -3.629 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.095 13.309 -3.537 1.00 0.00 H new ATOM 1078 N LEU A 89 -6.572 11.416 -3.537 1.00 0.00 N ATOM 1079 CA LEU A 89 -5.341 10.957 -4.231 1.00 0.00 C ATOM 1080 C LEU A 89 -5.310 9.424 -4.341 1.00 0.00 C ATOM 1081 O LEU A 89 -6.158 8.718 -3.772 1.00 0.00 O ATOM 1082 CB LEU A 89 -4.053 11.473 -3.503 1.00 0.00 C ATOM 1083 CG LEU A 89 -3.668 12.971 -3.735 1.00 0.00 C ATOM 1084 CD1 LEU A 89 -3.422 13.262 -5.232 1.00 0.00 C ATOM 1085 CD2 LEU A 89 -4.725 13.924 -3.141 1.00 0.00 C ATOM 0 H LEU A 89 -6.503 11.382 -2.520 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.357 11.377 -5.237 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.182 11.317 -2.432 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.213 10.853 -3.817 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.732 13.155 -3.207 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.156 14.311 -5.360 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.608 12.635 -5.596 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.328 13.045 -5.798 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.426 14.957 -3.320 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.689 13.738 -3.614 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.808 13.752 -2.068 1.00 0.00 H new ATOM 1097 N THR A 90 -4.305 8.930 -5.090 1.00 0.00 N ATOM 1098 CA THR A 90 -4.083 7.506 -5.331 1.00 0.00 C ATOM 1099 C THR A 90 -2.590 7.158 -5.156 1.00 0.00 C ATOM 1100 O THR A 90 -1.709 7.953 -5.502 1.00 0.00 O ATOM 1101 CB THR A 90 -4.599 7.093 -6.757 1.00 0.00 C ATOM 1102 OG1 THR A 90 -6.003 7.410 -6.873 1.00 0.00 O ATOM 1103 CG2 THR A 90 -4.407 5.588 -7.047 1.00 0.00 C ATOM 0 H THR A 90 -3.617 9.527 -5.549 1.00 0.00 H new ATOM 0 HA THR A 90 -4.653 6.938 -4.596 1.00 0.00 H new ATOM 0 HB THR A 90 -4.009 7.652 -7.483 1.00 0.00 H new ATOM 0 HG1 THR A 90 -6.324 7.154 -7.763 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.781 5.359 -8.045 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.347 5.339 -6.990 1.00 0.00 H new ATOM 0 HG23 THR A 90 -4.957 5.002 -6.310 1.00 0.00 H new ATOM 1111 N VAL A 91 -2.321 5.964 -4.582 1.00 0.00 N ATOM 1112 CA VAL A 91 -0.954 5.415 -4.415 1.00 0.00 C ATOM 1113 C VAL A 91 -0.793 4.174 -5.318 1.00 0.00 C ATOM 1114 O VAL A 91 -1.783 3.527 -5.672 1.00 0.00 O ATOM 1115 CB VAL A 91 -0.649 5.003 -2.914 1.00 0.00 C ATOM 1116 CG1 VAL A 91 0.875 4.879 -2.653 1.00 0.00 C ATOM 1117 CG2 VAL A 91 -1.295 5.977 -1.918 1.00 0.00 C ATOM 0 H VAL A 91 -3.050 5.350 -4.219 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.249 6.197 -4.695 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.095 4.021 -2.758 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.044 4.595 -1.614 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.296 4.118 -3.310 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.357 5.836 -2.851 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.064 5.663 -0.900 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.904 6.981 -2.085 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.376 5.980 -2.061 1.00 0.00 H new ATOM 1127 N HIS A 92 0.452 3.852 -5.683 1.00 0.00 N ATOM 1128 CA HIS A 92 0.787 2.627 -6.439 1.00 0.00 C ATOM 1129 C HIS A 92 1.263 1.565 -5.443 1.00 0.00 C ATOM 1130 O HIS A 92 2.218 1.792 -4.719 1.00 0.00 O ATOM 1131 CB HIS A 92 1.906 2.910 -7.478 1.00 0.00 C ATOM 1132 CG HIS A 92 1.553 3.942 -8.516 1.00 0.00 C ATOM 1133 ND1 HIS A 92 1.551 3.686 -9.868 1.00 0.00 N ATOM 1134 CD2 HIS A 92 1.213 5.246 -8.391 1.00 0.00 C ATOM 1135 CE1 HIS A 92 1.220 4.782 -10.520 1.00 0.00 C ATOM 1136 NE2 HIS A 92 1.012 5.737 -9.648 1.00 0.00 N ATOM 0 H HIS A 92 1.263 4.431 -5.465 1.00 0.00 H new ATOM 0 HA HIS A 92 -0.094 2.279 -6.978 1.00 0.00 H new ATOM 0 HB2 HIS A 92 2.800 3.238 -6.948 1.00 0.00 H new ATOM 0 HB3 HIS A 92 2.159 1.978 -7.983 1.00 0.00 H new ATOM 0 HD2 HIS A 92 1.118 5.796 -7.467 1.00 0.00 H new ATOM 0 HE1 HIS A 92 1.135 4.877 -11.592 1.00 0.00 H new ATOM 0 HE2 HIS A 92 0.743 6.695 -9.873 1.00 0.00 H new ATOM 1145 N LEU A 93 0.576 0.430 -5.381 1.00 0.00 N ATOM 1146 CA LEU A 93 0.941 -0.677 -4.482 1.00 0.00 C ATOM 1147 C LEU A 93 1.365 -1.895 -5.304 1.00 0.00 C ATOM 1148 O LEU A 93 0.640 -2.323 -6.209 1.00 0.00 O ATOM 1149 CB LEU A 93 -0.256 -1.051 -3.588 1.00 0.00 C ATOM 1150 CG LEU A 93 0.006 -2.153 -2.510 1.00 0.00 C ATOM 1151 CD1 LEU A 93 0.896 -1.646 -1.367 1.00 0.00 C ATOM 1152 CD2 LEU A 93 -1.298 -2.721 -1.970 1.00 0.00 C ATOM 0 H LEU A 93 -0.250 0.244 -5.949 1.00 0.00 H new ATOM 0 HA LEU A 93 1.771 -0.358 -3.852 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.599 -0.150 -3.080 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.071 -1.386 -4.229 1.00 0.00 H new ATOM 0 HG LEU A 93 0.547 -2.957 -3.009 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.050 -2.446 -0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 93 1.859 -1.330 -1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.412 -0.801 -0.877 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.081 -3.484 -1.223 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.881 -1.922 -1.513 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.868 -3.164 -2.787 1.00 0.00 H new ATOM 1164 N VAL A 94 2.538 -2.450 -4.983 1.00 0.00 N ATOM 1165 CA VAL A 94 3.037 -3.686 -5.598 1.00 0.00 C ATOM 1166 C VAL A 94 3.001 -4.800 -4.548 1.00 0.00 C ATOM 1167 O VAL A 94 3.777 -4.786 -3.586 1.00 0.00 O ATOM 1168 CB VAL A 94 4.497 -3.492 -6.173 1.00 0.00 C ATOM 1169 CG1 VAL A 94 5.117 -4.826 -6.672 1.00 0.00 C ATOM 1170 CG2 VAL A 94 4.500 -2.426 -7.300 1.00 0.00 C ATOM 0 H VAL A 94 3.171 -2.054 -4.288 1.00 0.00 H new ATOM 0 HA VAL A 94 2.400 -3.956 -6.441 1.00 0.00 H new ATOM 0 HB VAL A 94 5.123 -3.139 -5.353 1.00 0.00 H new ATOM 0 HG11 VAL A 94 6.119 -4.640 -7.057 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.172 -5.534 -5.845 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.495 -5.242 -7.465 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.513 -2.305 -7.684 1.00 0.00 H new ATOM 0 HG22 VAL A 94 3.842 -2.748 -8.107 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.147 -1.475 -6.902 1.00 0.00 H new ATOM 1180 N ILE A 95 2.064 -5.743 -4.737 1.00 0.00 N ATOM 1181 CA ILE A 95 1.854 -6.862 -3.816 1.00 0.00 C ATOM 1182 C ILE A 95 2.616 -8.096 -4.330 1.00 0.00 C ATOM 1183 O ILE A 95 2.179 -8.756 -5.280 1.00 0.00 O ATOM 1184 CB ILE A 95 0.330 -7.214 -3.652 1.00 0.00 C ATOM 1185 CG1 ILE A 95 -0.523 -5.945 -3.325 1.00 0.00 C ATOM 1186 CG2 ILE A 95 0.152 -8.287 -2.560 1.00 0.00 C ATOM 1187 CD1 ILE A 95 -1.995 -6.211 -3.031 1.00 0.00 C ATOM 0 H ILE A 95 1.431 -5.747 -5.537 1.00 0.00 H new ATOM 0 HA ILE A 95 2.231 -6.564 -2.838 1.00 0.00 H new ATOM 0 HB ILE A 95 -0.030 -7.610 -4.602 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -0.082 -5.442 -2.464 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.456 -5.255 -4.166 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -0.906 -8.525 -2.453 1.00 0.00 H new ATOM 0 HG22 ILE A 95 0.700 -9.187 -2.841 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.537 -7.909 -1.613 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.499 -5.269 -2.817 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.460 -6.682 -3.897 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.080 -6.872 -2.169 1.00 0.00 H new ATOM 1199 N LYS A 96 3.742 -8.406 -3.679 1.00 0.00 N ATOM 1200 CA LYS A 96 4.659 -9.486 -4.087 1.00 0.00 C ATOM 1201 C LYS A 96 4.270 -10.844 -3.445 1.00 0.00 C ATOM 1202 O LYS A 96 5.122 -11.726 -3.285 1.00 0.00 O ATOM 1203 CB LYS A 96 6.107 -9.073 -3.704 1.00 0.00 C ATOM 1204 CG LYS A 96 6.585 -7.738 -4.340 1.00 0.00 C ATOM 1205 CD LYS A 96 8.014 -7.345 -3.889 1.00 0.00 C ATOM 1206 CE LYS A 96 8.101 -7.033 -2.382 1.00 0.00 C ATOM 1207 NZ LYS A 96 9.506 -6.953 -1.911 1.00 0.00 N ATOM 0 H LYS A 96 4.050 -7.910 -2.843 1.00 0.00 H new ATOM 0 HA LYS A 96 4.591 -9.628 -5.166 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.172 -8.988 -2.619 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.790 -9.868 -4.003 1.00 0.00 H new ATOM 0 HG2 LYS A 96 6.562 -7.828 -5.426 1.00 0.00 H new ATOM 0 HG3 LYS A 96 5.891 -6.942 -4.071 1.00 0.00 H new ATOM 0 HD2 LYS A 96 8.701 -8.157 -4.127 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.342 -6.473 -4.455 1.00 0.00 H new ATOM 0 HE2 LYS A 96 7.596 -6.089 -2.177 1.00 0.00 H new ATOM 0 HE3 LYS A 96 7.574 -7.805 -1.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 9.519 -6.742 -0.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 9.982 -7.862 -2.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 10.003 -6.199 -2.428 1.00 0.00 H new