USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 837 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 71 THR OG1 : rot 180:sc= -0.246 USER MOD Set 1.2: A 74 GLN : amide:sc= 0.603 X(o=0.36,f=0.3) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 CYS SG : rot -146:sc= 0.101 USER MOD Single : A 16 CYS SG : rot 180:sc= 0.183 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.0111 X(o=-0.011,f=0.0029) USER MOD Single : A 24 TYR OH : rot 180:sc= -0.125 USER MOD Single : A 27 HIS : no HD1:sc= -1 K(o=-1,f=-5.1!) USER MOD Single : A 29 HIS : no HE2:sc= -2.03! C(o=-2!,f=-8.5!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 167:sc= -0.0221 (180deg=-0.192) USER MOD Single : A 37 GLN : amide:sc= -0.854 K(o=-0.85,f=-0.26) USER MOD Single : A 38 TYR OH : rot 120:sc= 0 USER MOD Single : A 46 SER OG : rot 76:sc= 0.734 USER MOD Single : A 50 LYS NZ :NH3+ 166:sc= -0.0142 (180deg=-0.165) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 66 ASN : amide:sc= -1.75! K(o=-1.8!,f=-0.065) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.195 X(o=-0.19,f=0) USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 77 SER OG : rot 41:sc= 1.23 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 95 THR OG1 : rot 62:sc= 1.03 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 GLN : amide:sc= -0.54! K(o=-0.54!,f=-1) USER MOD Single : A 101 LYS NZ :NH3+ 159:sc= -0.0581 (180deg=-0.378) USER MOD Single : A 105 GLN : amide:sc= -3.57! K(o=-3.6!,f=-0.95) USER MOD ----------------------------------------------------------------- ATOM 41 N PRO A 7 -7.005 -18.990 1.924 1.00 0.00 N ATOM 42 CA PRO A 7 -6.010 -18.205 2.650 1.00 0.00 C ATOM 43 C PRO A 7 -5.578 -16.977 1.874 1.00 0.00 C ATOM 44 O PRO A 7 -5.079 -16.012 2.452 1.00 0.00 O ATOM 45 CB PRO A 7 -4.832 -19.167 2.810 1.00 0.00 C ATOM 46 CG PRO A 7 -4.996 -20.169 1.722 1.00 0.00 C ATOM 47 CD PRO A 7 -6.474 -20.283 1.474 1.00 0.00 C ATOM 0 HA PRO A 7 -6.401 -17.832 3.597 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -3.881 -18.642 2.722 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -4.844 -19.644 3.790 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -4.473 -19.852 0.819 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -4.575 -21.131 2.013 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -6.690 -20.460 0.420 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -6.911 -21.111 2.032 1.00 0.00 H new ATOM 55 N PHE A 8 -5.778 -17.019 0.566 1.00 0.00 N ATOM 56 CA PHE A 8 -5.305 -15.965 -0.301 1.00 0.00 C ATOM 57 C PHE A 8 -6.224 -15.739 -1.483 1.00 0.00 C ATOM 58 O PHE A 8 -6.854 -16.663 -1.993 1.00 0.00 O ATOM 59 CB PHE A 8 -3.890 -16.278 -0.764 1.00 0.00 C ATOM 60 CG PHE A 8 -2.878 -15.806 0.224 1.00 0.00 C ATOM 61 CD1 PHE A 8 -2.758 -14.457 0.483 1.00 0.00 C ATOM 62 CD2 PHE A 8 -2.081 -16.699 0.922 1.00 0.00 C ATOM 63 CE1 PHE A 8 -1.866 -14.000 1.418 1.00 0.00 C ATOM 64 CE2 PHE A 8 -1.176 -16.244 1.859 1.00 0.00 C ATOM 65 CZ PHE A 8 -1.074 -14.889 2.108 1.00 0.00 C ATOM 0 H PHE A 8 -6.266 -17.775 0.086 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.300 -15.037 0.271 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.783 -17.353 -0.912 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -3.708 -15.804 -1.729 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.374 -13.753 -0.057 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.169 -17.758 0.731 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -1.785 -12.941 1.613 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.551 -16.943 2.395 1.00 0.00 H new ATOM 0 HZ PHE A 8 -0.372 -14.527 2.845 1.00 0.00 H new ATOM 75 N THR A 9 -6.283 -14.486 -1.898 1.00 0.00 N ATOM 76 CA THR A 9 -7.130 -14.054 -2.982 1.00 0.00 C ATOM 77 C THR A 9 -6.798 -12.602 -3.317 1.00 0.00 C ATOM 78 O THR A 9 -6.605 -11.785 -2.411 1.00 0.00 O ATOM 79 CB THR A 9 -8.629 -14.219 -2.626 1.00 0.00 C ATOM 80 OG1 THR A 9 -9.454 -13.658 -3.656 1.00 0.00 O ATOM 81 CG2 THR A 9 -8.965 -13.589 -1.279 1.00 0.00 C ATOM 0 H THR A 9 -5.734 -13.734 -1.482 1.00 0.00 H new ATOM 0 HA THR A 9 -6.944 -14.679 -3.856 1.00 0.00 H new ATOM 0 HB THR A 9 -8.830 -15.288 -2.550 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.398 -13.772 -3.417 1.00 0.00 H new ATOM 0 HG21 THR A 9 -10.025 -13.727 -1.067 1.00 0.00 H new ATOM 0 HG22 THR A 9 -8.374 -14.065 -0.497 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.736 -12.524 -1.308 1.00 0.00 H new ATOM 89 N MET A 10 -6.652 -12.317 -4.613 1.00 0.00 N ATOM 90 CA MET A 10 -6.298 -10.984 -5.120 1.00 0.00 C ATOM 91 C MET A 10 -4.818 -10.698 -4.883 1.00 0.00 C ATOM 92 O MET A 10 -4.065 -10.525 -5.836 1.00 0.00 O ATOM 93 CB MET A 10 -7.166 -9.886 -4.483 1.00 0.00 C ATOM 94 CG MET A 10 -6.775 -8.475 -4.905 1.00 0.00 C ATOM 95 SD MET A 10 -7.000 -8.186 -6.670 1.00 0.00 S ATOM 96 CE MET A 10 -6.377 -6.511 -6.813 1.00 0.00 C ATOM 0 H MET A 10 -6.777 -13.011 -5.350 1.00 0.00 H new ATOM 0 HA MET A 10 -6.491 -10.977 -6.193 1.00 0.00 H new ATOM 0 HB2 MET A 10 -8.209 -10.059 -4.749 1.00 0.00 H new ATOM 0 HB3 MET A 10 -7.096 -9.964 -3.398 1.00 0.00 H new ATOM 0 HG2 MET A 10 -7.371 -7.755 -4.345 1.00 0.00 H new ATOM 0 HG3 MET A 10 -5.732 -8.298 -4.643 1.00 0.00 H new ATOM 0 HE1 MET A 10 -6.448 -6.184 -7.850 1.00 0.00 H new ATOM 0 HE2 MET A 10 -6.968 -5.848 -6.182 1.00 0.00 H new ATOM 0 HE3 MET A 10 -5.335 -6.482 -6.494 1.00 0.00 H new ATOM 106 N LEU A 11 -4.431 -10.706 -3.602 1.00 0.00 N ATOM 107 CA LEU A 11 -3.060 -10.444 -3.124 1.00 0.00 C ATOM 108 C LEU A 11 -2.444 -9.139 -3.660 1.00 0.00 C ATOM 109 O LEU A 11 -2.488 -8.829 -4.849 1.00 0.00 O ATOM 110 CB LEU A 11 -2.101 -11.638 -3.332 1.00 0.00 C ATOM 111 CG LEU A 11 -2.117 -12.339 -4.683 1.00 0.00 C ATOM 112 CD1 LEU A 11 -0.721 -12.829 -5.031 1.00 0.00 C ATOM 113 CD2 LEU A 11 -3.088 -13.511 -4.653 1.00 0.00 C ATOM 0 H LEU A 11 -5.082 -10.901 -2.841 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.182 -10.308 -2.049 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.085 -11.287 -3.150 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.323 -12.382 -2.567 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.444 -11.630 -5.444 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.742 -13.329 -5.999 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.038 -11.981 -5.076 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.380 -13.529 -4.268 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.092 -14.005 -5.624 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.778 -14.221 -3.886 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.090 -13.147 -4.427 1.00 0.00 H new ATOM 125 N PRO A 12 -1.847 -8.358 -2.747 1.00 0.00 N ATOM 126 CA PRO A 12 -1.271 -7.045 -3.055 1.00 0.00 C ATOM 127 C PRO A 12 0.075 -7.123 -3.765 1.00 0.00 C ATOM 128 O PRO A 12 0.658 -8.199 -3.913 1.00 0.00 O ATOM 129 CB PRO A 12 -1.079 -6.427 -1.675 1.00 0.00 C ATOM 130 CG PRO A 12 -0.838 -7.589 -0.781 1.00 0.00 C ATOM 131 CD PRO A 12 -1.682 -8.707 -1.325 1.00 0.00 C ATOM 0 HA PRO A 12 -1.913 -6.481 -3.732 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.237 -5.735 -1.663 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.959 -5.863 -1.366 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.217 -7.864 -0.773 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.114 -7.355 0.247 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.193 -9.674 -1.204 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.643 -8.769 -0.814 1.00 0.00 H new ATOM 139 N ARG A 13 0.567 -5.966 -4.183 1.00 0.00 N ATOM 140 CA ARG A 13 1.868 -5.866 -4.820 1.00 0.00 C ATOM 141 C ARG A 13 2.563 -4.580 -4.393 1.00 0.00 C ATOM 142 O ARG A 13 1.913 -3.623 -3.969 1.00 0.00 O ATOM 143 CB ARG A 13 1.736 -5.886 -6.345 1.00 0.00 C ATOM 144 CG ARG A 13 0.917 -4.734 -6.906 1.00 0.00 C ATOM 145 CD ARG A 13 1.364 -4.372 -8.314 1.00 0.00 C ATOM 146 NE ARG A 13 2.739 -3.866 -8.330 1.00 0.00 N ATOM 147 CZ ARG A 13 3.428 -3.592 -9.438 1.00 0.00 C ATOM 148 NH1 ARG A 13 2.882 -3.789 -10.634 1.00 0.00 N ATOM 149 NH2 ARG A 13 4.669 -3.128 -9.347 1.00 0.00 N ATOM 0 H ARG A 13 0.078 -5.076 -4.090 1.00 0.00 H new ATOM 0 HA ARG A 13 2.461 -6.726 -4.508 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.732 -5.860 -6.787 1.00 0.00 H new ATOM 0 HB3 ARG A 13 1.277 -6.827 -6.648 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.138 -5.006 -6.916 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.016 -3.865 -6.256 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.291 -5.250 -8.956 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.693 -3.618 -8.727 1.00 0.00 H new ATOM 0 HE ARG A 13 3.200 -3.713 -7.433 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.931 -4.151 -10.707 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.414 -3.578 -11.478 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.093 -2.982 -8.431 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.198 -2.918 -10.193 1.00 0.00 H new ATOM 163 N LEU A 14 3.883 -4.562 -4.507 1.00 0.00 N ATOM 164 CA LEU A 14 4.653 -3.358 -4.247 1.00 0.00 C ATOM 165 C LEU A 14 4.685 -2.494 -5.496 1.00 0.00 C ATOM 166 O LEU A 14 5.208 -2.902 -6.536 1.00 0.00 O ATOM 167 CB LEU A 14 6.083 -3.703 -3.816 1.00 0.00 C ATOM 168 CG LEU A 14 6.258 -4.102 -2.348 1.00 0.00 C ATOM 169 CD1 LEU A 14 7.655 -4.655 -2.116 1.00 0.00 C ATOM 170 CD2 LEU A 14 6.008 -2.906 -1.437 1.00 0.00 C ATOM 0 H LEU A 14 4.443 -5.370 -4.779 1.00 0.00 H new ATOM 0 HA LEU A 14 4.175 -2.811 -3.435 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.444 -4.520 -4.441 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.721 -2.842 -4.018 1.00 0.00 H new ATOM 0 HG LEU A 14 5.529 -4.877 -2.111 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.766 -4.935 -1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.808 -5.533 -2.744 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.394 -3.895 -2.369 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.137 -3.207 -0.397 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.717 -2.113 -1.675 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.992 -2.541 -1.586 1.00 0.00 H new ATOM 182 N CYS A 15 4.101 -1.320 -5.399 1.00 0.00 N ATOM 183 CA CYS A 15 4.081 -0.391 -6.507 1.00 0.00 C ATOM 184 C CYS A 15 5.243 0.581 -6.376 1.00 0.00 C ATOM 185 O CYS A 15 5.263 1.434 -5.488 1.00 0.00 O ATOM 186 CB CYS A 15 2.747 0.356 -6.529 1.00 0.00 C ATOM 187 SG CYS A 15 1.301 -0.734 -6.574 1.00 0.00 S ATOM 0 H CYS A 15 3.631 -0.985 -4.558 1.00 0.00 H new ATOM 0 HA CYS A 15 4.187 -0.935 -7.446 1.00 0.00 H new ATOM 0 HB2 CYS A 15 2.683 0.993 -5.647 1.00 0.00 H new ATOM 0 HB3 CYS A 15 2.723 1.013 -7.399 1.00 0.00 H new ATOM 0 HG CYS A 15 0.356 -0.172 -7.268 1.00 0.00 H new ATOM 193 N CYS A 16 6.229 0.419 -7.240 1.00 0.00 N ATOM 194 CA CYS A 16 7.411 1.256 -7.218 1.00 0.00 C ATOM 195 C CYS A 16 7.263 2.420 -8.188 1.00 0.00 C ATOM 196 O CYS A 16 7.233 2.230 -9.407 1.00 0.00 O ATOM 197 CB CYS A 16 8.636 0.410 -7.569 1.00 0.00 C ATOM 198 SG CYS A 16 8.339 -0.780 -8.898 1.00 0.00 S ATOM 0 H CYS A 16 6.232 -0.292 -7.971 1.00 0.00 H new ATOM 0 HA CYS A 16 7.538 1.671 -6.218 1.00 0.00 H new ATOM 0 HB2 CYS A 16 9.452 1.071 -7.861 1.00 0.00 H new ATOM 0 HB3 CYS A 16 8.963 -0.127 -6.679 1.00 0.00 H new ATOM 0 HG CYS A 16 9.428 -1.451 -9.131 1.00 0.00 H new ATOM 204 N LEU A 17 7.156 3.620 -7.648 1.00 0.00 N ATOM 205 CA LEU A 17 7.044 4.809 -8.472 1.00 0.00 C ATOM 206 C LEU A 17 8.168 5.777 -8.161 1.00 0.00 C ATOM 207 O LEU A 17 8.658 5.838 -7.033 1.00 0.00 O ATOM 208 CB LEU A 17 5.682 5.505 -8.323 1.00 0.00 C ATOM 209 CG LEU A 17 5.196 5.790 -6.900 1.00 0.00 C ATOM 210 CD1 LEU A 17 4.116 6.848 -6.937 1.00 0.00 C ATOM 211 CD2 LEU A 17 4.648 4.535 -6.247 1.00 0.00 C ATOM 0 H LEU A 17 7.144 3.797 -6.644 1.00 0.00 H new ATOM 0 HA LEU A 17 7.124 4.485 -9.509 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.725 6.452 -8.861 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.932 4.890 -8.820 1.00 0.00 H new ATOM 0 HG LEU A 17 6.045 6.142 -6.313 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.770 7.051 -5.923 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.518 7.763 -7.373 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.281 6.494 -7.541 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.310 4.768 -5.237 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.809 4.157 -6.832 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.430 3.777 -6.202 1.00 0.00 H new ATOM 223 N GLU A 18 8.549 6.541 -9.167 1.00 0.00 N ATOM 224 CA GLU A 18 9.729 7.387 -9.095 1.00 0.00 C ATOM 225 C GLU A 18 9.316 8.849 -9.120 1.00 0.00 C ATOM 226 O GLU A 18 8.471 9.243 -9.915 1.00 0.00 O ATOM 227 CB GLU A 18 10.665 7.062 -10.264 1.00 0.00 C ATOM 228 CG GLU A 18 11.008 5.578 -10.356 1.00 0.00 C ATOM 229 CD GLU A 18 11.909 5.241 -11.527 1.00 0.00 C ATOM 230 OE1 GLU A 18 11.401 5.115 -12.660 1.00 0.00 O ATOM 231 OE2 GLU A 18 13.131 5.088 -11.315 1.00 0.00 O ATOM 0 H GLU A 18 8.052 6.594 -10.056 1.00 0.00 H new ATOM 0 HA GLU A 18 10.261 7.198 -8.163 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.198 7.380 -11.196 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.585 7.636 -10.156 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.494 5.267 -9.431 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.085 5.004 -10.440 1.00 0.00 H new ATOM 238 N LYS A 19 9.909 9.639 -8.239 1.00 0.00 N ATOM 239 CA LYS A 19 9.494 11.022 -8.040 1.00 0.00 C ATOM 240 C LYS A 19 9.605 11.829 -9.329 1.00 0.00 C ATOM 241 O LYS A 19 10.695 12.004 -9.872 1.00 0.00 O ATOM 242 CB LYS A 19 10.342 11.683 -6.956 1.00 0.00 C ATOM 243 CG LYS A 19 9.700 12.928 -6.368 1.00 0.00 C ATOM 244 CD LYS A 19 10.704 13.752 -5.586 1.00 0.00 C ATOM 245 CE LYS A 19 11.535 14.629 -6.509 1.00 0.00 C ATOM 246 NZ LYS A 19 12.568 15.398 -5.766 1.00 0.00 N ATOM 0 H LYS A 19 10.685 9.345 -7.646 1.00 0.00 H new ATOM 0 HA LYS A 19 8.449 11.007 -7.729 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.523 10.964 -6.157 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.313 11.946 -7.374 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.276 13.533 -7.169 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.876 12.640 -5.715 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.180 14.376 -4.862 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.360 13.090 -5.021 1.00 0.00 H new ATOM 0 HE2 LYS A 19 12.018 14.007 -7.262 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.880 15.320 -7.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 13.112 15.983 -6.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.106 16.011 -5.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 13.209 14.739 -5.281 1.00 0.00 H new ATOM 260 N GLY A 20 8.471 12.320 -9.802 1.00 0.00 N ATOM 261 CA GLY A 20 8.442 13.108 -11.014 1.00 0.00 C ATOM 262 C GLY A 20 8.773 14.564 -10.766 1.00 0.00 C ATOM 263 O GLY A 20 9.323 14.911 -9.718 1.00 0.00 O ATOM 0 H GLY A 20 7.561 12.184 -9.362 1.00 0.00 H new ATOM 0 HA2 GLY A 20 9.152 12.694 -11.730 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.453 13.035 -11.467 1.00 0.00 H new ATOM 267 N PRO A 21 8.416 15.444 -11.714 1.00 0.00 N ATOM 268 CA PRO A 21 8.762 16.871 -11.665 1.00 0.00 C ATOM 269 C PRO A 21 8.272 17.561 -10.396 1.00 0.00 C ATOM 270 O PRO A 21 8.928 18.467 -9.880 1.00 0.00 O ATOM 271 CB PRO A 21 8.053 17.461 -12.895 1.00 0.00 C ATOM 272 CG PRO A 21 7.053 16.437 -13.307 1.00 0.00 C ATOM 273 CD PRO A 21 7.639 15.114 -12.917 1.00 0.00 C ATOM 0 HA PRO A 21 9.843 17.014 -11.663 1.00 0.00 H new ATOM 0 HB2 PRO A 21 7.569 18.407 -12.653 1.00 0.00 H new ATOM 0 HB3 PRO A 21 8.762 17.662 -13.698 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.097 16.603 -12.811 1.00 0.00 H new ATOM 0 HG3 PRO A 21 6.867 16.481 -14.380 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.866 14.375 -12.709 1.00 0.00 H new ATOM 0 HD3 PRO A 21 8.269 14.703 -13.705 1.00 0.00 H new ATOM 281 N ASN A 22 7.134 17.118 -9.883 1.00 0.00 N ATOM 282 CA ASN A 22 6.513 17.788 -8.743 1.00 0.00 C ATOM 283 C ASN A 22 5.996 16.786 -7.719 1.00 0.00 C ATOM 284 O ASN A 22 5.098 17.092 -6.933 1.00 0.00 O ATOM 285 CB ASN A 22 5.368 18.696 -9.206 1.00 0.00 C ATOM 286 CG ASN A 22 4.251 17.930 -9.891 1.00 0.00 C ATOM 287 OD1 ASN A 22 3.321 17.445 -9.247 1.00 0.00 O ATOM 288 ND2 ASN A 22 4.325 17.825 -11.208 1.00 0.00 N ATOM 0 H ASN A 22 6.624 16.306 -10.231 1.00 0.00 H new ATOM 0 HA ASN A 22 7.281 18.397 -8.267 1.00 0.00 H new ATOM 0 HB2 ASN A 22 4.963 19.229 -8.346 1.00 0.00 H new ATOM 0 HB3 ASN A 22 5.760 19.448 -9.891 1.00 0.00 H new ATOM 0 HD21 ASN A 22 3.596 17.330 -11.722 1.00 0.00 H new ATOM 0 HD22 ASN A 22 5.111 18.240 -11.709 1.00 0.00 H new ATOM 295 N GLY A 23 6.567 15.598 -7.715 1.00 0.00 N ATOM 296 CA GLY A 23 6.136 14.588 -6.774 1.00 0.00 C ATOM 297 C GLY A 23 5.745 13.306 -7.469 1.00 0.00 C ATOM 298 O GLY A 23 6.224 13.025 -8.562 1.00 0.00 O ATOM 0 H GLY A 23 7.319 15.313 -8.343 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.938 14.387 -6.064 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.289 14.964 -6.200 1.00 0.00 H new ATOM 302 N TYR A 24 4.861 12.536 -6.855 1.00 0.00 N ATOM 303 CA TYR A 24 4.531 11.218 -7.374 1.00 0.00 C ATOM 304 C TYR A 24 3.174 11.203 -8.076 1.00 0.00 C ATOM 305 O TYR A 24 2.961 10.416 -8.994 1.00 0.00 O ATOM 306 CB TYR A 24 4.568 10.184 -6.254 1.00 0.00 C ATOM 307 CG TYR A 24 5.923 10.049 -5.601 1.00 0.00 C ATOM 308 CD1 TYR A 24 6.280 10.842 -4.519 1.00 0.00 C ATOM 309 CD2 TYR A 24 6.845 9.127 -6.071 1.00 0.00 C ATOM 310 CE1 TYR A 24 7.520 10.719 -3.926 1.00 0.00 C ATOM 311 CE2 TYR A 24 8.086 8.996 -5.485 1.00 0.00 C ATOM 312 CZ TYR A 24 8.419 9.795 -4.411 1.00 0.00 C ATOM 313 OH TYR A 24 9.655 9.676 -3.819 1.00 0.00 O ATOM 0 H TYR A 24 4.363 12.797 -6.004 1.00 0.00 H new ATOM 0 HA TYR A 24 5.283 10.960 -8.120 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.834 10.456 -5.496 1.00 0.00 H new ATOM 0 HB3 TYR A 24 4.269 9.216 -6.655 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.577 11.566 -4.135 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.587 8.500 -6.911 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.784 11.344 -3.086 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.793 8.273 -5.864 1.00 0.00 H new ATOM 0 HH TYR A 24 10.171 8.980 -4.277 1.00 0.00 H new ATOM 323 N GLY A 25 2.261 12.059 -7.638 1.00 0.00 N ATOM 324 CA GLY A 25 1.010 12.232 -8.356 1.00 0.00 C ATOM 325 C GLY A 25 -0.156 11.481 -7.743 1.00 0.00 C ATOM 326 O GLY A 25 -1.085 11.089 -8.447 1.00 0.00 O ATOM 0 H GLY A 25 2.361 12.635 -6.802 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.767 13.294 -8.393 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.144 11.899 -9.385 1.00 0.00 H new ATOM 330 N PHE A 26 -0.128 11.290 -6.436 1.00 0.00 N ATOM 331 CA PHE A 26 -1.223 10.613 -5.757 1.00 0.00 C ATOM 332 C PHE A 26 -1.621 11.379 -4.500 1.00 0.00 C ATOM 333 O PHE A 26 -0.773 11.942 -3.805 1.00 0.00 O ATOM 334 CB PHE A 26 -0.847 9.159 -5.411 1.00 0.00 C ATOM 335 CG PHE A 26 0.174 9.017 -4.314 1.00 0.00 C ATOM 336 CD1 PHE A 26 1.518 9.249 -4.559 1.00 0.00 C ATOM 337 CD2 PHE A 26 -0.215 8.644 -3.035 1.00 0.00 C ATOM 338 CE1 PHE A 26 2.454 9.116 -3.552 1.00 0.00 C ATOM 339 CE2 PHE A 26 0.718 8.508 -2.025 1.00 0.00 C ATOM 340 CZ PHE A 26 2.053 8.744 -2.285 1.00 0.00 C ATOM 0 H PHE A 26 0.633 11.590 -5.827 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.077 10.585 -6.433 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.751 8.624 -5.119 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.465 8.673 -6.309 1.00 0.00 H new ATOM 0 HD1 PHE A 26 1.838 9.537 -5.550 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.258 8.458 -2.827 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.498 9.303 -3.756 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.403 8.217 -1.034 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.784 8.638 -1.497 1.00 0.00 H new ATOM 350 N HIS A 27 -2.921 11.435 -4.244 1.00 0.00 N ATOM 351 CA HIS A 27 -3.447 12.037 -3.029 1.00 0.00 C ATOM 352 C HIS A 27 -3.817 10.924 -2.060 1.00 0.00 C ATOM 353 O HIS A 27 -4.294 9.867 -2.481 1.00 0.00 O ATOM 354 CB HIS A 27 -4.679 12.901 -3.329 1.00 0.00 C ATOM 355 CG HIS A 27 -4.459 13.958 -4.372 1.00 0.00 C ATOM 356 ND1 HIS A 27 -4.580 15.307 -4.122 1.00 0.00 N ATOM 357 CD2 HIS A 27 -4.159 13.851 -5.689 1.00 0.00 C ATOM 358 CE1 HIS A 27 -4.367 15.979 -5.240 1.00 0.00 C ATOM 359 NE2 HIS A 27 -4.111 15.117 -6.205 1.00 0.00 N ATOM 0 H HIS A 27 -3.637 11.066 -4.870 1.00 0.00 H new ATOM 0 HA HIS A 27 -2.687 12.684 -2.591 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -5.492 12.252 -3.654 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.004 13.381 -2.406 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -3.989 12.933 -6.232 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.397 17.053 -5.346 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -3.910 15.355 -7.176 1.00 0.00 H new ATOM 368 N LEU A 28 -3.613 11.157 -0.777 1.00 0.00 N ATOM 369 CA LEU A 28 -3.774 10.108 0.220 1.00 0.00 C ATOM 370 C LEU A 28 -4.781 10.513 1.294 1.00 0.00 C ATOM 371 O LEU A 28 -4.662 11.581 1.889 1.00 0.00 O ATOM 372 CB LEU A 28 -2.417 9.820 0.864 1.00 0.00 C ATOM 373 CG LEU A 28 -2.375 8.616 1.798 1.00 0.00 C ATOM 374 CD1 LEU A 28 -2.531 7.322 1.010 1.00 0.00 C ATOM 375 CD2 LEU A 28 -1.081 8.613 2.590 1.00 0.00 C ATOM 0 H LEU A 28 -3.335 12.062 -0.398 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.154 9.213 -0.273 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.684 9.669 0.072 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.105 10.702 1.423 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.207 8.687 2.498 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.499 6.474 1.694 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.486 7.329 0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.720 7.236 0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.063 7.748 3.254 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.235 8.562 1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.014 9.526 3.182 1.00 0.00 H new ATOM 387 N HIS A 29 -5.761 9.651 1.548 1.00 0.00 N ATOM 388 CA HIS A 29 -6.738 9.898 2.606 1.00 0.00 C ATOM 389 C HIS A 29 -6.745 8.728 3.579 1.00 0.00 C ATOM 390 O HIS A 29 -6.637 7.578 3.169 1.00 0.00 O ATOM 391 CB HIS A 29 -8.155 10.141 2.044 1.00 0.00 C ATOM 392 CG HIS A 29 -8.869 8.913 1.547 1.00 0.00 C ATOM 393 ND1 HIS A 29 -10.061 8.463 2.078 1.00 0.00 N ATOM 394 CD2 HIS A 29 -8.566 8.059 0.549 1.00 0.00 C ATOM 395 CE1 HIS A 29 -10.450 7.384 1.429 1.00 0.00 C ATOM 396 NE2 HIS A 29 -9.564 7.121 0.494 1.00 0.00 N ATOM 0 H HIS A 29 -5.900 8.778 1.039 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.442 10.807 3.129 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.762 10.604 2.822 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -8.085 10.857 1.225 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -10.563 8.898 2.852 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -7.697 8.105 -0.090 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -11.344 6.813 1.631 1.00 0.00 H new ATOM 405 N GLY A 30 -6.858 9.029 4.854 1.00 0.00 N ATOM 406 CA GLY A 30 -6.866 7.991 5.867 1.00 0.00 C ATOM 407 C GLY A 30 -8.163 7.972 6.636 1.00 0.00 C ATOM 408 O GLY A 30 -8.303 7.240 7.615 1.00 0.00 O ATOM 0 H GLY A 30 -6.945 9.979 5.215 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.708 7.021 5.395 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.037 8.149 6.556 1.00 0.00 H new ATOM 412 N GLU A 31 -9.108 8.793 6.180 1.00 0.00 N ATOM 413 CA GLU A 31 -10.428 8.897 6.800 1.00 0.00 C ATOM 414 C GLU A 31 -10.322 9.439 8.225 1.00 0.00 C ATOM 415 O GLU A 31 -9.248 9.855 8.666 1.00 0.00 O ATOM 416 CB GLU A 31 -11.135 7.537 6.785 1.00 0.00 C ATOM 417 CG GLU A 31 -11.389 7.001 5.386 1.00 0.00 C ATOM 418 CD GLU A 31 -12.196 7.956 4.529 1.00 0.00 C ATOM 419 OE1 GLU A 31 -11.639 8.983 4.082 1.00 0.00 O ATOM 420 OE2 GLU A 31 -13.389 7.681 4.284 1.00 0.00 O ATOM 0 H GLU A 31 -8.981 9.403 5.373 1.00 0.00 H new ATOM 0 HA GLU A 31 -11.024 9.601 6.219 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.532 6.817 7.337 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -12.086 7.625 7.310 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.434 6.801 4.899 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.916 6.049 5.456 1.00 0.00 H new ATOM 427 N LYS A 32 -11.434 9.458 8.935 1.00 0.00 N ATOM 428 CA LYS A 32 -11.454 9.974 10.289 1.00 0.00 C ATOM 429 C LYS A 32 -11.600 8.829 11.280 1.00 0.00 C ATOM 430 O LYS A 32 -12.559 8.058 11.215 1.00 0.00 O ATOM 431 CB LYS A 32 -12.601 10.969 10.464 1.00 0.00 C ATOM 432 CG LYS A 32 -12.604 11.657 11.819 1.00 0.00 C ATOM 433 CD LYS A 32 -13.826 12.539 11.994 1.00 0.00 C ATOM 434 CE LYS A 32 -13.842 13.203 13.361 1.00 0.00 C ATOM 435 NZ LYS A 32 -15.098 13.962 13.593 1.00 0.00 N ATOM 0 H LYS A 32 -12.335 9.122 8.596 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.514 10.491 10.479 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -12.538 11.725 9.681 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -13.548 10.447 10.328 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -12.580 10.906 12.609 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.702 12.259 11.924 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -13.839 13.303 11.217 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -14.729 11.941 11.868 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.728 12.444 14.135 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.989 13.877 13.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.070 14.400 14.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -15.194 14.703 12.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -15.910 13.315 13.536 1.00 0.00 H new ATOM 449 N GLY A 33 -10.644 8.712 12.187 1.00 0.00 N ATOM 450 CA GLY A 33 -10.703 7.674 13.196 1.00 0.00 C ATOM 451 C GLY A 33 -9.857 6.471 12.845 1.00 0.00 C ATOM 452 O GLY A 33 -9.675 5.570 13.667 1.00 0.00 O ATOM 0 H GLY A 33 -9.826 9.318 12.243 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.370 8.081 14.151 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.738 7.359 13.328 1.00 0.00 H new ATOM 456 N LYS A 34 -9.336 6.447 11.629 1.00 0.00 N ATOM 457 CA LYS A 34 -8.494 5.346 11.191 1.00 0.00 C ATOM 458 C LYS A 34 -7.025 5.692 11.362 1.00 0.00 C ATOM 459 O LYS A 34 -6.665 6.846 11.603 1.00 0.00 O ATOM 460 CB LYS A 34 -8.754 4.985 9.724 1.00 0.00 C ATOM 461 CG LYS A 34 -10.061 4.248 9.466 1.00 0.00 C ATOM 462 CD LYS A 34 -11.281 5.123 9.693 1.00 0.00 C ATOM 463 CE LYS A 34 -12.566 4.348 9.454 1.00 0.00 C ATOM 464 NZ LYS A 34 -12.739 3.228 10.420 1.00 0.00 N ATOM 0 H LYS A 34 -9.481 7.175 10.930 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.744 4.487 11.813 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.748 5.901 9.133 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.930 4.369 9.365 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.069 3.879 8.440 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.117 3.377 10.119 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.270 5.509 10.712 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.243 5.984 9.026 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.416 5.026 9.531 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.565 3.952 8.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.714 2.870 10.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.076 2.462 10.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.548 3.568 11.384 1.00 0.00 H new ATOM 478 N LEU A 35 -6.190 4.679 11.235 1.00 0.00 N ATOM 479 CA LEU A 35 -4.747 4.848 11.275 1.00 0.00 C ATOM 480 C LEU A 35 -4.129 4.132 10.081 1.00 0.00 C ATOM 481 O LEU A 35 -2.951 3.783 10.076 1.00 0.00 O ATOM 482 CB LEU A 35 -4.148 4.332 12.597 1.00 0.00 C ATOM 483 CG LEU A 35 -4.479 2.883 12.974 1.00 0.00 C ATOM 484 CD1 LEU A 35 -3.436 2.345 13.936 1.00 0.00 C ATOM 485 CD2 LEU A 35 -5.858 2.794 13.612 1.00 0.00 C ATOM 0 H LEU A 35 -6.491 3.714 11.101 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.518 5.912 11.221 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.064 4.432 12.543 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.489 4.981 13.403 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.476 2.283 12.064 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.679 1.315 14.198 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.454 2.377 13.463 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.424 2.956 14.839 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.073 1.757 13.872 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.882 3.406 14.513 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.608 3.155 12.908 1.00 0.00 H new ATOM 497 N GLY A 36 -4.967 3.902 9.080 1.00 0.00 N ATOM 498 CA GLY A 36 -4.522 3.324 7.836 1.00 0.00 C ATOM 499 C GLY A 36 -4.857 4.243 6.691 1.00 0.00 C ATOM 500 O GLY A 36 -5.903 4.895 6.701 1.00 0.00 O ATOM 0 H GLY A 36 -5.965 4.111 9.114 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.447 3.150 7.871 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.997 2.354 7.686 1.00 0.00 H new ATOM 504 N GLN A 37 -3.993 4.304 5.702 1.00 0.00 N ATOM 505 CA GLN A 37 -4.156 5.265 4.631 1.00 0.00 C ATOM 506 C GLN A 37 -4.681 4.577 3.380 1.00 0.00 C ATOM 507 O GLN A 37 -4.376 3.419 3.126 1.00 0.00 O ATOM 508 CB GLN A 37 -2.824 5.958 4.340 1.00 0.00 C ATOM 509 CG GLN A 37 -2.126 6.503 5.584 1.00 0.00 C ATOM 510 CD GLN A 37 -2.923 7.577 6.310 1.00 0.00 C ATOM 511 OE1 GLN A 37 -2.845 7.703 7.531 1.00 0.00 O ATOM 512 NE2 GLN A 37 -3.677 8.375 5.570 1.00 0.00 N ATOM 0 H GLN A 37 -3.173 3.703 5.616 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.881 6.018 4.941 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.159 5.252 3.842 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.997 6.778 3.643 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.932 5.680 6.271 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.158 6.913 5.297 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.720 8.244 4.559 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.215 9.121 6.011 1.00 0.00 H new ATOM 521 N TYR A 38 -5.493 5.286 2.618 1.00 0.00 N ATOM 522 CA TYR A 38 -6.080 4.741 1.403 1.00 0.00 C ATOM 523 C TYR A 38 -5.823 5.693 0.240 1.00 0.00 C ATOM 524 O TYR A 38 -5.678 6.904 0.441 1.00 0.00 O ATOM 525 CB TYR A 38 -7.590 4.549 1.591 1.00 0.00 C ATOM 526 CG TYR A 38 -7.972 3.960 2.934 1.00 0.00 C ATOM 527 CD1 TYR A 38 -7.831 2.603 3.188 1.00 0.00 C ATOM 528 CD2 TYR A 38 -8.471 4.771 3.952 1.00 0.00 C ATOM 529 CE1 TYR A 38 -8.174 2.068 4.416 1.00 0.00 C ATOM 530 CE2 TYR A 38 -8.816 4.243 5.182 1.00 0.00 C ATOM 531 CZ TYR A 38 -8.665 2.890 5.409 1.00 0.00 C ATOM 532 OH TYR A 38 -9.011 2.357 6.631 1.00 0.00 O ATOM 0 H TYR A 38 -5.764 6.248 2.819 1.00 0.00 H new ATOM 0 HA TYR A 38 -5.624 3.775 1.188 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -8.086 5.512 1.474 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -7.965 3.899 0.800 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -7.447 1.955 2.414 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -8.590 5.830 3.777 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -8.058 1.010 4.597 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -9.201 4.885 5.960 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.471 2.774 7.334 1.00 0.00 H new ATOM 542 N ILE A 39 -5.771 5.154 -0.970 1.00 0.00 N ATOM 543 CA ILE A 39 -5.537 5.968 -2.153 1.00 0.00 C ATOM 544 C ILE A 39 -6.755 6.839 -2.434 1.00 0.00 C ATOM 545 O ILE A 39 -7.851 6.337 -2.677 1.00 0.00 O ATOM 546 CB ILE A 39 -5.227 5.107 -3.396 1.00 0.00 C ATOM 547 CG1 ILE A 39 -3.988 4.242 -3.151 1.00 0.00 C ATOM 548 CG2 ILE A 39 -5.023 5.996 -4.616 1.00 0.00 C ATOM 549 CD1 ILE A 39 -2.695 5.028 -3.068 1.00 0.00 C ATOM 0 H ILE A 39 -5.888 4.158 -1.158 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.667 6.593 -1.951 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.075 4.449 -3.584 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.123 3.686 -2.223 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.905 3.509 -3.953 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.805 5.376 -5.486 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.928 6.574 -4.800 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.189 6.675 -4.436 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.864 4.344 -2.893 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.534 5.563 -4.004 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.756 5.743 -2.247 1.00 0.00 H new ATOM 561 N ARG A 40 -6.546 8.146 -2.388 1.00 0.00 N ATOM 562 CA ARG A 40 -7.634 9.107 -2.496 1.00 0.00 C ATOM 563 C ARG A 40 -7.828 9.575 -3.939 1.00 0.00 C ATOM 564 O ARG A 40 -8.939 9.540 -4.464 1.00 0.00 O ATOM 565 CB ARG A 40 -7.336 10.284 -1.546 1.00 0.00 C ATOM 566 CG ARG A 40 -7.954 11.613 -1.932 1.00 0.00 C ATOM 567 CD ARG A 40 -9.466 11.558 -2.009 1.00 0.00 C ATOM 568 NE ARG A 40 -9.942 12.388 -3.105 1.00 0.00 N ATOM 569 CZ ARG A 40 -11.002 12.102 -3.849 1.00 0.00 C ATOM 570 NH1 ARG A 40 -11.801 11.090 -3.529 1.00 0.00 N ATOM 571 NH2 ARG A 40 -11.262 12.836 -4.916 1.00 0.00 N ATOM 0 H ARG A 40 -5.624 8.569 -2.276 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.572 8.635 -2.204 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.684 10.018 -0.548 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.255 10.411 -1.483 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.659 12.370 -1.205 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.557 11.926 -2.898 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.793 10.528 -2.154 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.898 11.901 -1.069 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.428 13.244 -3.314 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.602 10.524 -2.704 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.614 10.879 -4.108 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.650 13.614 -5.161 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.075 12.624 -5.495 1.00 0.00 H new ATOM 585 N LEU A 41 -6.752 9.980 -4.585 1.00 0.00 N ATOM 586 CA LEU A 41 -6.835 10.480 -5.949 1.00 0.00 C ATOM 587 C LEU A 41 -5.524 10.241 -6.675 1.00 0.00 C ATOM 588 O LEU A 41 -4.454 10.375 -6.088 1.00 0.00 O ATOM 589 CB LEU A 41 -7.186 11.976 -5.923 1.00 0.00 C ATOM 590 CG LEU A 41 -7.674 12.600 -7.239 1.00 0.00 C ATOM 591 CD1 LEU A 41 -6.526 12.877 -8.198 1.00 0.00 C ATOM 592 CD2 LEU A 41 -8.721 11.713 -7.898 1.00 0.00 C ATOM 0 H LEU A 41 -5.811 9.974 -4.191 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.618 9.946 -6.487 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.957 12.130 -5.168 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.304 12.525 -5.594 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.131 13.559 -6.994 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.916 13.318 -9.115 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.823 13.568 -7.734 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.015 11.943 -8.433 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.054 12.173 -8.829 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -8.288 10.736 -8.111 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.572 11.595 -7.227 1.00 0.00 H new ATOM 604 N VAL A 42 -5.614 9.882 -7.942 1.00 0.00 N ATOM 605 CA VAL A 42 -4.434 9.656 -8.757 1.00 0.00 C ATOM 606 C VAL A 42 -4.429 10.632 -9.925 1.00 0.00 C ATOM 607 O VAL A 42 -5.423 10.750 -10.645 1.00 0.00 O ATOM 608 CB VAL A 42 -4.366 8.207 -9.290 1.00 0.00 C ATOM 609 CG1 VAL A 42 -3.042 7.953 -9.997 1.00 0.00 C ATOM 610 CG2 VAL A 42 -4.566 7.208 -8.162 1.00 0.00 C ATOM 0 H VAL A 42 -6.497 9.740 -8.432 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.559 9.817 -8.127 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.172 8.075 -10.012 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.016 6.927 -10.364 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.940 8.641 -10.836 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.220 8.109 -9.298 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.514 6.195 -8.560 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.786 7.344 -7.413 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.542 7.368 -7.703 1.00 0.00 H new ATOM 620 N GLU A 43 -3.329 11.348 -10.085 1.00 0.00 N ATOM 621 CA GLU A 43 -3.196 12.322 -11.157 1.00 0.00 C ATOM 622 C GLU A 43 -2.829 11.611 -12.451 1.00 0.00 C ATOM 623 O GLU A 43 -1.813 10.942 -12.513 1.00 0.00 O ATOM 624 CB GLU A 43 -2.111 13.343 -10.803 1.00 0.00 C ATOM 625 CG GLU A 43 -2.353 14.080 -9.494 1.00 0.00 C ATOM 626 CD GLU A 43 -3.416 15.153 -9.606 1.00 0.00 C ATOM 627 OE1 GLU A 43 -3.270 16.048 -10.464 1.00 0.00 O ATOM 628 OE2 GLU A 43 -4.380 15.133 -8.814 1.00 0.00 O ATOM 0 H GLU A 43 -2.510 11.273 -9.482 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.145 12.842 -11.287 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.150 12.831 -10.747 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.037 14.072 -11.610 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.648 13.362 -8.729 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.420 14.534 -9.161 1.00 0.00 H new ATOM 635 N PRO A 44 -3.656 11.723 -13.492 1.00 0.00 N ATOM 636 CA PRO A 44 -3.409 11.051 -14.769 1.00 0.00 C ATOM 637 C PRO A 44 -2.245 11.664 -15.530 1.00 0.00 C ATOM 638 O PRO A 44 -2.378 12.708 -16.177 1.00 0.00 O ATOM 639 CB PRO A 44 -4.708 11.238 -15.548 1.00 0.00 C ATOM 640 CG PRO A 44 -5.687 11.765 -14.561 1.00 0.00 C ATOM 641 CD PRO A 44 -4.892 12.493 -13.523 1.00 0.00 C ATOM 0 HA PRO A 44 -3.139 10.005 -14.622 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.573 11.933 -16.377 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.049 10.295 -15.975 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.402 12.433 -15.042 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -6.261 10.954 -14.112 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.718 13.533 -13.798 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.393 12.499 -12.555 1.00 0.00 H new ATOM 649 N GLY A 45 -1.121 10.992 -15.462 1.00 0.00 N ATOM 650 CA GLY A 45 0.087 11.467 -16.113 1.00 0.00 C ATOM 651 C GLY A 45 1.290 11.496 -15.184 1.00 0.00 C ATOM 652 O GLY A 45 2.262 12.213 -15.434 1.00 0.00 O ATOM 0 H GLY A 45 -1.013 10.110 -14.961 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.309 10.826 -16.966 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.088 12.469 -16.504 1.00 0.00 H new ATOM 656 N SER A 46 1.236 10.709 -14.122 1.00 0.00 N ATOM 657 CA SER A 46 2.314 10.644 -13.152 1.00 0.00 C ATOM 658 C SER A 46 2.892 9.229 -13.099 1.00 0.00 C ATOM 659 O SER A 46 2.377 8.313 -13.743 1.00 0.00 O ATOM 660 CB SER A 46 1.784 11.036 -11.775 1.00 0.00 C ATOM 661 OG SER A 46 0.542 11.690 -11.877 1.00 0.00 O ATOM 0 H SER A 46 0.446 10.100 -13.909 1.00 0.00 H new ATOM 0 HA SER A 46 3.103 11.335 -13.449 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.680 10.145 -11.155 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.502 11.688 -11.278 1.00 0.00 H new ATOM 0 HG SER A 46 -0.160 11.032 -12.064 1.00 0.00 H new ATOM 667 N PRO A 47 3.981 9.025 -12.344 1.00 0.00 N ATOM 668 CA PRO A 47 4.543 7.692 -12.122 1.00 0.00 C ATOM 669 C PRO A 47 3.663 6.816 -11.233 1.00 0.00 C ATOM 670 O PRO A 47 3.865 5.603 -11.156 1.00 0.00 O ATOM 671 CB PRO A 47 5.877 7.980 -11.433 1.00 0.00 C ATOM 672 CG PRO A 47 5.675 9.295 -10.770 1.00 0.00 C ATOM 673 CD PRO A 47 4.780 10.075 -11.684 1.00 0.00 C ATOM 0 HA PRO A 47 4.636 7.136 -13.055 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.126 7.204 -10.709 1.00 0.00 H new ATOM 0 HB3 PRO A 47 6.695 8.019 -12.152 1.00 0.00 H new ATOM 0 HG2 PRO A 47 5.220 9.172 -9.787 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.625 9.808 -10.620 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.151 10.774 -11.133 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.351 10.660 -12.405 1.00 0.00 H new ATOM 681 N ALA A 48 2.692 7.428 -10.570 1.00 0.00 N ATOM 682 CA ALA A 48 1.798 6.699 -9.681 1.00 0.00 C ATOM 683 C ALA A 48 0.991 5.658 -10.454 1.00 0.00 C ATOM 684 O ALA A 48 0.908 4.493 -10.053 1.00 0.00 O ATOM 685 CB ALA A 48 0.870 7.659 -8.952 1.00 0.00 C ATOM 0 H ALA A 48 2.503 8.428 -10.631 1.00 0.00 H new ATOM 0 HA ALA A 48 2.406 6.177 -8.942 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.209 7.096 -8.292 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.461 8.359 -8.362 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.273 8.210 -9.679 1.00 0.00 H new ATOM 691 N GLU A 49 0.411 6.077 -11.573 1.00 0.00 N ATOM 692 CA GLU A 49 -0.365 5.170 -12.425 1.00 0.00 C ATOM 693 C GLU A 49 0.558 4.139 -13.054 1.00 0.00 C ATOM 694 O GLU A 49 0.179 2.987 -13.274 1.00 0.00 O ATOM 695 CB GLU A 49 -1.092 5.939 -13.535 1.00 0.00 C ATOM 696 CG GLU A 49 -1.721 7.230 -13.076 1.00 0.00 C ATOM 697 CD GLU A 49 -0.729 8.340 -13.094 1.00 0.00 C ATOM 698 OE1 GLU A 49 -0.524 8.891 -14.181 1.00 0.00 O ATOM 699 OE2 GLU A 49 -0.130 8.641 -12.044 1.00 0.00 O ATOM 0 H GLU A 49 0.461 7.037 -11.915 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.108 4.674 -11.800 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.385 6.156 -14.336 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.867 5.300 -13.958 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.563 7.479 -13.722 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.118 7.108 -12.068 1.00 0.00 H new ATOM 706 N LYS A 50 1.783 4.571 -13.325 1.00 0.00 N ATOM 707 CA LYS A 50 2.795 3.718 -13.935 1.00 0.00 C ATOM 708 C LYS A 50 3.253 2.635 -12.962 1.00 0.00 C ATOM 709 O LYS A 50 3.802 1.610 -13.369 1.00 0.00 O ATOM 710 CB LYS A 50 3.993 4.563 -14.372 1.00 0.00 C ATOM 711 CG LYS A 50 3.611 5.764 -15.223 1.00 0.00 C ATOM 712 CD LYS A 50 4.827 6.595 -15.598 1.00 0.00 C ATOM 713 CE LYS A 50 5.768 5.831 -16.512 1.00 0.00 C ATOM 714 NZ LYS A 50 5.148 5.545 -17.832 1.00 0.00 N ATOM 0 H LYS A 50 2.102 5.520 -13.129 1.00 0.00 H new ATOM 0 HA LYS A 50 2.355 3.234 -14.807 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.525 4.910 -13.486 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.685 3.935 -14.934 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.109 5.424 -16.129 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.900 6.385 -14.678 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.504 7.511 -16.092 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.359 6.891 -14.694 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.681 6.408 -16.657 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.056 4.894 -16.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.883 5.241 -18.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.441 4.790 -17.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.686 6.404 -18.192 1.00 0.00 H new ATOM 728 N ALA A 51 3.036 2.875 -11.674 1.00 0.00 N ATOM 729 CA ALA A 51 3.397 1.914 -10.642 1.00 0.00 C ATOM 730 C ALA A 51 2.233 0.983 -10.331 1.00 0.00 C ATOM 731 O ALA A 51 2.413 -0.082 -9.744 1.00 0.00 O ATOM 732 CB ALA A 51 3.838 2.637 -9.385 1.00 0.00 C ATOM 0 H ALA A 51 2.610 3.731 -11.320 1.00 0.00 H new ATOM 0 HA ALA A 51 4.225 1.311 -11.014 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.105 1.908 -8.621 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.703 3.262 -9.609 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.023 3.263 -9.020 1.00 0.00 H new ATOM 738 N GLY A 52 1.039 1.398 -10.730 1.00 0.00 N ATOM 739 CA GLY A 52 -0.137 0.587 -10.508 1.00 0.00 C ATOM 740 C GLY A 52 -0.919 1.021 -9.284 1.00 0.00 C ATOM 741 O GLY A 52 -1.432 0.187 -8.540 1.00 0.00 O ATOM 0 H GLY A 52 0.865 2.284 -11.204 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.782 0.640 -11.385 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.161 -0.455 -10.394 1.00 0.00 H new ATOM 745 N LEU A 53 -0.997 2.324 -9.061 1.00 0.00 N ATOM 746 CA LEU A 53 -1.794 2.860 -7.967 1.00 0.00 C ATOM 747 C LEU A 53 -3.195 3.200 -8.458 1.00 0.00 C ATOM 748 O LEU A 53 -3.354 3.863 -9.482 1.00 0.00 O ATOM 749 CB LEU A 53 -1.132 4.106 -7.376 1.00 0.00 C ATOM 750 CG LEU A 53 0.227 3.875 -6.718 1.00 0.00 C ATOM 751 CD1 LEU A 53 0.796 5.191 -6.216 1.00 0.00 C ATOM 752 CD2 LEU A 53 0.104 2.874 -5.578 1.00 0.00 C ATOM 0 H LEU A 53 -0.519 3.029 -9.622 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.862 2.101 -7.188 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.012 4.844 -8.169 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.806 4.539 -6.637 1.00 0.00 H new ATOM 0 HG LEU A 53 0.910 3.463 -7.461 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.765 5.014 -5.749 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.917 5.878 -7.053 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.115 5.627 -5.485 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.082 2.721 -5.121 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.590 3.257 -4.830 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.267 1.925 -5.965 1.00 0.00 H new ATOM 764 N LEU A 54 -4.204 2.745 -7.731 1.00 0.00 N ATOM 765 CA LEU A 54 -5.583 2.977 -8.125 1.00 0.00 C ATOM 766 C LEU A 54 -6.369 3.557 -6.952 1.00 0.00 C ATOM 767 O LEU A 54 -6.189 3.143 -5.808 1.00 0.00 O ATOM 768 CB LEU A 54 -6.200 1.661 -8.626 1.00 0.00 C ATOM 769 CG LEU A 54 -7.504 1.781 -9.427 1.00 0.00 C ATOM 770 CD1 LEU A 54 -7.683 0.556 -10.311 1.00 0.00 C ATOM 771 CD2 LEU A 54 -8.703 1.930 -8.502 1.00 0.00 C ATOM 0 H LEU A 54 -4.093 2.214 -6.867 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.621 3.702 -8.938 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.463 1.153 -9.247 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.386 1.021 -7.764 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.440 2.673 -10.050 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.610 0.648 -10.877 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.843 0.480 -11.001 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.724 -0.338 -9.689 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.613 2.013 -9.096 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.772 1.057 -7.852 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.584 2.827 -7.894 1.00 0.00 H new ATOM 783 N ALA A 55 -7.221 4.538 -7.248 1.00 0.00 N ATOM 784 CA ALA A 55 -8.010 5.215 -6.225 1.00 0.00 C ATOM 785 C ALA A 55 -8.973 4.250 -5.544 1.00 0.00 C ATOM 786 O ALA A 55 -10.001 3.882 -6.110 1.00 0.00 O ATOM 787 CB ALA A 55 -8.775 6.383 -6.835 1.00 0.00 C ATOM 0 H ALA A 55 -7.381 4.882 -8.195 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.325 5.597 -5.468 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.360 6.879 -6.060 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.070 7.093 -7.269 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.443 6.014 -7.613 1.00 0.00 H new ATOM 793 N GLY A 56 -8.629 3.845 -4.332 1.00 0.00 N ATOM 794 CA GLY A 56 -9.450 2.904 -3.598 1.00 0.00 C ATOM 795 C GLY A 56 -8.610 1.893 -2.855 1.00 0.00 C ATOM 796 O GLY A 56 -9.035 1.355 -1.831 1.00 0.00 O ATOM 0 H GLY A 56 -7.790 4.153 -3.840 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.080 3.444 -2.891 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.117 2.387 -4.288 1.00 0.00 H new ATOM 800 N ASP A 57 -7.414 1.641 -3.374 1.00 0.00 N ATOM 801 CA ASP A 57 -6.489 0.690 -2.767 1.00 0.00 C ATOM 802 C ASP A 57 -6.022 1.161 -1.397 1.00 0.00 C ATOM 803 O ASP A 57 -5.925 2.362 -1.130 1.00 0.00 O ATOM 804 CB ASP A 57 -5.289 0.451 -3.677 1.00 0.00 C ATOM 805 CG ASP A 57 -5.624 -0.465 -4.835 1.00 0.00 C ATOM 806 OD1 ASP A 57 -6.111 0.029 -5.872 1.00 0.00 O ATOM 807 OD2 ASP A 57 -5.407 -1.689 -4.710 1.00 0.00 O ATOM 0 H ASP A 57 -7.060 2.086 -4.221 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.026 -0.249 -2.635 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.932 1.406 -4.063 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.475 0.017 -3.096 1.00 0.00 H new ATOM 812 N ARG A 58 -5.741 0.196 -0.537 1.00 0.00 N ATOM 813 CA ARG A 58 -5.331 0.455 0.835 1.00 0.00 C ATOM 814 C ARG A 58 -3.810 0.526 0.928 1.00 0.00 C ATOM 815 O ARG A 58 -3.115 -0.398 0.509 1.00 0.00 O ATOM 816 CB ARG A 58 -5.874 -0.663 1.731 1.00 0.00 C ATOM 817 CG ARG A 58 -5.643 -0.457 3.216 1.00 0.00 C ATOM 818 CD ARG A 58 -6.301 -1.567 4.019 1.00 0.00 C ATOM 819 NE ARG A 58 -6.198 -1.347 5.456 1.00 0.00 N ATOM 820 CZ ARG A 58 -7.030 -1.874 6.351 1.00 0.00 C ATOM 821 NH1 ARG A 58 -8.016 -2.675 5.959 1.00 0.00 N ATOM 822 NH2 ARG A 58 -6.850 -1.624 7.641 1.00 0.00 N ATOM 0 H ARG A 58 -5.791 -0.795 -0.772 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.732 1.413 1.165 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.945 -0.763 1.555 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.413 -1.605 1.433 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.573 -0.436 3.424 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.046 0.508 3.522 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.352 -1.640 3.740 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.837 -2.520 3.766 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.442 -0.753 5.797 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -8.137 -2.888 4.969 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -8.651 -3.077 6.648 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.077 -1.031 7.942 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.484 -2.025 8.332 1.00 0.00 H new ATOM 836 N LEU A 59 -3.307 1.625 1.473 1.00 0.00 N ATOM 837 CA LEU A 59 -1.873 1.838 1.614 1.00 0.00 C ATOM 838 C LEU A 59 -1.352 1.089 2.832 1.00 0.00 C ATOM 839 O LEU A 59 -1.493 1.545 3.965 1.00 0.00 O ATOM 840 CB LEU A 59 -1.566 3.336 1.750 1.00 0.00 C ATOM 841 CG LEU A 59 -0.084 3.690 1.899 1.00 0.00 C ATOM 842 CD1 LEU A 59 0.671 3.399 0.612 1.00 0.00 C ATOM 843 CD2 LEU A 59 0.080 5.149 2.303 1.00 0.00 C ATOM 0 H LEU A 59 -3.879 2.391 1.829 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.375 1.458 0.722 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.959 3.852 0.874 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.104 3.723 2.616 1.00 0.00 H new ATOM 0 HG LEU A 59 0.339 3.068 2.688 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.722 3.658 0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.585 2.339 0.371 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.248 3.991 -0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.140 5.382 2.404 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.361 5.790 1.539 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.422 5.321 3.255 1.00 0.00 H new ATOM 855 N VAL A 60 -0.746 -0.059 2.588 1.00 0.00 N ATOM 856 CA VAL A 60 -0.275 -0.917 3.660 1.00 0.00 C ATOM 857 C VAL A 60 1.126 -0.517 4.110 1.00 0.00 C ATOM 858 O VAL A 60 1.428 -0.516 5.305 1.00 0.00 O ATOM 859 CB VAL A 60 -0.270 -2.397 3.222 1.00 0.00 C ATOM 860 CG1 VAL A 60 0.119 -3.307 4.374 1.00 0.00 C ATOM 861 CG2 VAL A 60 -1.629 -2.793 2.669 1.00 0.00 C ATOM 0 H VAL A 60 -0.568 -0.420 1.651 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.963 -0.796 4.497 1.00 0.00 H new ATOM 0 HB VAL A 60 0.475 -2.512 2.434 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.114 -4.343 4.037 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.117 -3.044 4.724 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.595 -3.187 5.189 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.607 -3.840 2.365 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.389 -2.654 3.438 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.867 -2.170 1.807 1.00 0.00 H new ATOM 871 N GLU A 61 1.981 -0.159 3.163 1.00 0.00 N ATOM 872 CA GLU A 61 3.364 0.156 3.487 1.00 0.00 C ATOM 873 C GLU A 61 3.920 1.244 2.572 1.00 0.00 C ATOM 874 O GLU A 61 3.498 1.380 1.422 1.00 0.00 O ATOM 875 CB GLU A 61 4.208 -1.120 3.398 1.00 0.00 C ATOM 876 CG GLU A 61 5.697 -0.906 3.587 1.00 0.00 C ATOM 877 CD GLU A 61 6.344 -2.043 4.342 1.00 0.00 C ATOM 878 OE1 GLU A 61 5.849 -2.384 5.433 1.00 0.00 O ATOM 879 OE2 GLU A 61 7.359 -2.580 3.866 1.00 0.00 O ATOM 0 H GLU A 61 1.745 -0.080 2.174 1.00 0.00 H new ATOM 0 HA GLU A 61 3.405 0.545 4.504 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.857 -1.825 4.151 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.041 -1.583 2.425 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.174 -0.801 2.613 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.863 0.027 4.126 1.00 0.00 H new ATOM 886 N VAL A 62 4.880 2.008 3.098 1.00 0.00 N ATOM 887 CA VAL A 62 5.510 3.091 2.352 1.00 0.00 C ATOM 888 C VAL A 62 7.027 3.003 2.457 1.00 0.00 C ATOM 889 O VAL A 62 7.592 3.179 3.539 1.00 0.00 O ATOM 890 CB VAL A 62 5.062 4.478 2.862 1.00 0.00 C ATOM 891 CG1 VAL A 62 5.750 5.592 2.086 1.00 0.00 C ATOM 892 CG2 VAL A 62 3.554 4.626 2.779 1.00 0.00 C ATOM 0 H VAL A 62 5.238 1.892 4.046 1.00 0.00 H new ATOM 0 HA VAL A 62 5.198 2.980 1.314 1.00 0.00 H new ATOM 0 HB VAL A 62 5.356 4.558 3.908 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.417 6.558 2.465 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.830 5.507 2.208 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.496 5.510 1.029 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.264 5.611 3.144 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.234 4.514 1.743 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.079 3.859 3.390 1.00 0.00 H new ATOM 902 N ASN A 63 7.665 2.681 1.334 1.00 0.00 N ATOM 903 CA ASN A 63 9.129 2.654 1.203 1.00 0.00 C ATOM 904 C ASN A 63 9.751 1.469 1.949 1.00 0.00 C ATOM 905 O ASN A 63 10.839 1.009 1.604 1.00 0.00 O ATOM 906 CB ASN A 63 9.752 3.973 1.687 1.00 0.00 C ATOM 907 CG ASN A 63 11.229 4.076 1.351 1.00 0.00 C ATOM 908 OD1 ASN A 63 12.085 3.647 2.122 1.00 0.00 O ATOM 909 ND2 ASN A 63 11.540 4.660 0.204 1.00 0.00 N ATOM 0 H ASN A 63 7.177 2.427 0.475 1.00 0.00 H new ATOM 0 HA ASN A 63 9.349 2.531 0.142 1.00 0.00 H new ATOM 0 HB2 ASN A 63 9.220 4.810 1.234 1.00 0.00 H new ATOM 0 HB3 ASN A 63 9.621 4.059 2.766 1.00 0.00 H new ATOM 0 HD21 ASN A 63 12.518 4.766 -0.065 1.00 0.00 H new ATOM 0 HD22 ASN A 63 10.802 5.004 -0.410 1.00 0.00 H new ATOM 916 N GLY A 64 9.048 0.967 2.948 1.00 0.00 N ATOM 917 CA GLY A 64 9.567 -0.129 3.744 1.00 0.00 C ATOM 918 C GLY A 64 9.111 -0.093 5.193 1.00 0.00 C ATOM 919 O GLY A 64 9.682 -0.780 6.042 1.00 0.00 O ATOM 0 H GLY A 64 8.124 1.298 3.226 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.255 -1.073 3.296 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.656 -0.106 3.713 1.00 0.00 H new ATOM 923 N GLU A 65 8.105 0.719 5.497 1.00 0.00 N ATOM 924 CA GLU A 65 7.538 0.742 6.836 1.00 0.00 C ATOM 925 C GLU A 65 6.032 0.521 6.773 1.00 0.00 C ATOM 926 O GLU A 65 5.346 1.113 5.935 1.00 0.00 O ATOM 927 CB GLU A 65 7.865 2.058 7.549 1.00 0.00 C ATOM 928 CG GLU A 65 7.449 2.069 9.013 1.00 0.00 C ATOM 929 CD GLU A 65 8.006 0.889 9.783 1.00 0.00 C ATOM 930 OE1 GLU A 65 9.133 0.991 10.312 1.00 0.00 O ATOM 931 OE2 GLU A 65 7.323 -0.153 9.854 1.00 0.00 O ATOM 0 H GLU A 65 7.669 1.365 4.839 1.00 0.00 H new ATOM 0 HA GLU A 65 7.985 -0.068 7.412 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.937 2.243 7.482 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.367 2.877 7.031 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.789 2.995 9.477 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.361 2.061 9.078 1.00 0.00 H new ATOM 938 N ASN A 66 5.533 -0.330 7.659 1.00 0.00 N ATOM 939 CA ASN A 66 4.128 -0.718 7.660 1.00 0.00 C ATOM 940 C ASN A 66 3.273 0.426 8.199 1.00 0.00 C ATOM 941 O ASN A 66 3.205 0.649 9.410 1.00 0.00 O ATOM 942 CB ASN A 66 3.940 -1.980 8.510 1.00 0.00 C ATOM 943 CG ASN A 66 2.599 -2.655 8.283 1.00 0.00 C ATOM 944 OD1 ASN A 66 2.031 -3.254 9.196 1.00 0.00 O ATOM 945 ND2 ASN A 66 2.092 -2.593 7.061 1.00 0.00 N ATOM 0 H ASN A 66 6.087 -0.769 8.394 1.00 0.00 H new ATOM 0 HA ASN A 66 3.812 -0.935 6.640 1.00 0.00 H new ATOM 0 HB2 ASN A 66 4.739 -2.686 8.283 1.00 0.00 H new ATOM 0 HB3 ASN A 66 4.035 -1.719 9.564 1.00 0.00 H new ATOM 0 HD21 ASN A 66 1.204 -3.050 6.853 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.589 -2.088 6.328 1.00 0.00 H new ATOM 952 N VAL A 67 2.615 1.144 7.294 1.00 0.00 N ATOM 953 CA VAL A 67 1.930 2.381 7.653 1.00 0.00 C ATOM 954 C VAL A 67 0.465 2.156 8.010 1.00 0.00 C ATOM 955 O VAL A 67 -0.303 3.109 8.128 1.00 0.00 O ATOM 956 CB VAL A 67 2.023 3.432 6.532 1.00 0.00 C ATOM 957 CG1 VAL A 67 3.466 3.864 6.329 1.00 0.00 C ATOM 958 CG2 VAL A 67 1.434 2.901 5.234 1.00 0.00 C ATOM 0 H VAL A 67 2.542 0.891 6.309 1.00 0.00 H new ATOM 0 HA VAL A 67 2.445 2.755 8.538 1.00 0.00 H new ATOM 0 HB VAL A 67 1.439 4.302 6.833 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.515 4.607 5.533 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.850 4.296 7.253 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.070 2.999 6.055 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.513 3.664 4.460 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.981 2.011 4.923 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.385 2.647 5.387 1.00 0.00 H new ATOM 968 N GLU A 68 0.087 0.899 8.203 1.00 0.00 N ATOM 969 CA GLU A 68 -1.266 0.568 8.643 1.00 0.00 C ATOM 970 C GLU A 68 -1.483 0.960 10.104 1.00 0.00 C ATOM 971 O GLU A 68 -2.575 0.802 10.649 1.00 0.00 O ATOM 972 CB GLU A 68 -1.542 -0.923 8.452 1.00 0.00 C ATOM 973 CG GLU A 68 -2.342 -1.231 7.197 1.00 0.00 C ATOM 974 CD GLU A 68 -3.706 -0.560 7.211 1.00 0.00 C ATOM 975 OE1 GLU A 68 -4.437 -0.711 8.213 1.00 0.00 O ATOM 976 OE2 GLU A 68 -4.061 0.102 6.218 1.00 0.00 O ATOM 0 H GLU A 68 0.695 0.092 8.063 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.964 1.138 8.030 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.593 -1.458 8.410 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.083 -1.299 9.320 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.784 -0.900 6.321 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.470 -2.310 7.104 1.00 0.00 H new ATOM 983 N LYS A 69 -0.430 1.456 10.737 1.00 0.00 N ATOM 984 CA LYS A 69 -0.517 1.932 12.106 1.00 0.00 C ATOM 985 C LYS A 69 0.150 3.296 12.229 1.00 0.00 C ATOM 986 O LYS A 69 0.691 3.649 13.278 1.00 0.00 O ATOM 987 CB LYS A 69 0.115 0.919 13.066 1.00 0.00 C ATOM 988 CG LYS A 69 -0.609 -0.418 13.068 1.00 0.00 C ATOM 989 CD LYS A 69 -0.029 -1.388 14.084 1.00 0.00 C ATOM 990 CE LYS A 69 -0.816 -2.690 14.088 1.00 0.00 C ATOM 991 NZ LYS A 69 -0.367 -3.623 15.152 1.00 0.00 N ATOM 0 H LYS A 69 0.497 1.539 10.321 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.567 2.040 12.378 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.157 0.763 12.788 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.112 1.331 14.075 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.665 -0.256 13.285 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.552 -0.860 12.073 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.016 -1.589 13.848 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.051 -0.940 15.077 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.875 -2.470 14.225 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.714 -3.175 13.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.934 -4.494 15.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.636 -3.856 15.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.488 -3.173 16.082 1.00 0.00 H new ATOM 1005 N GLU A 70 0.087 4.059 11.141 1.00 0.00 N ATOM 1006 CA GLU A 70 0.691 5.386 11.069 1.00 0.00 C ATOM 1007 C GLU A 70 -0.387 6.447 10.859 1.00 0.00 C ATOM 1008 O GLU A 70 -1.570 6.192 11.077 1.00 0.00 O ATOM 1009 CB GLU A 70 1.698 5.436 9.915 1.00 0.00 C ATOM 1010 CG GLU A 70 2.930 4.580 10.140 1.00 0.00 C ATOM 1011 CD GLU A 70 3.840 5.146 11.207 1.00 0.00 C ATOM 1012 OE1 GLU A 70 4.683 6.002 10.876 1.00 0.00 O ATOM 1013 OE2 GLU A 70 3.721 4.736 12.376 1.00 0.00 O ATOM 0 H GLU A 70 -0.385 3.774 10.283 1.00 0.00 H new ATOM 0 HA GLU A 70 1.207 5.589 12.007 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.204 5.111 8.999 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.008 6.469 9.760 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.623 3.574 10.425 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.483 4.491 9.205 1.00 0.00 H new ATOM 1020 N THR A 71 0.030 7.641 10.456 1.00 0.00 N ATOM 1021 CA THR A 71 -0.896 8.728 10.171 1.00 0.00 C ATOM 1022 C THR A 71 -0.536 9.389 8.845 1.00 0.00 C ATOM 1023 O THR A 71 0.554 9.155 8.323 1.00 0.00 O ATOM 1024 CB THR A 71 -0.861 9.793 11.280 1.00 0.00 C ATOM 1025 OG1 THR A 71 0.482 10.273 11.434 1.00 0.00 O ATOM 1026 CG2 THR A 71 -1.361 9.228 12.602 1.00 0.00 C ATOM 0 H THR A 71 1.012 7.881 10.319 1.00 0.00 H new ATOM 0 HA THR A 71 -1.898 8.303 10.118 1.00 0.00 H new ATOM 0 HB THR A 71 -1.519 10.613 10.993 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.507 10.953 12.139 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.324 10.004 13.366 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.388 8.882 12.485 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.729 8.392 12.903 1.00 0.00 H new ATOM 1034 N HIS A 72 -1.431 10.221 8.310 1.00 0.00 N ATOM 1035 CA HIS A 72 -1.161 10.923 7.056 1.00 0.00 C ATOM 1036 C HIS A 72 0.156 11.686 7.149 1.00 0.00 C ATOM 1037 O HIS A 72 1.003 11.578 6.265 1.00 0.00 O ATOM 1038 CB HIS A 72 -2.312 11.886 6.725 1.00 0.00 C ATOM 1039 CG HIS A 72 -2.140 12.658 5.446 1.00 0.00 C ATOM 1040 ND1 HIS A 72 -2.816 12.360 4.281 1.00 0.00 N ATOM 1041 CD2 HIS A 72 -1.366 13.732 5.158 1.00 0.00 C ATOM 1042 CE1 HIS A 72 -2.461 13.214 3.337 1.00 0.00 C ATOM 1043 NE2 HIS A 72 -1.585 14.057 3.844 1.00 0.00 N ATOM 0 H HIS A 72 -2.342 10.424 8.722 1.00 0.00 H new ATOM 0 HA HIS A 72 -1.081 10.187 6.256 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -3.239 11.316 6.667 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -2.424 12.593 7.547 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.699 14.239 5.839 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.827 13.220 2.321 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -1.142 14.826 3.341 1.00 0.00 H new ATOM 1052 N GLN A 73 0.333 12.419 8.244 1.00 0.00 N ATOM 1053 CA GLN A 73 1.530 13.227 8.443 1.00 0.00 C ATOM 1054 C GLN A 73 2.785 12.358 8.467 1.00 0.00 C ATOM 1055 O GLN A 73 3.772 12.662 7.796 1.00 0.00 O ATOM 1056 CB GLN A 73 1.415 14.019 9.746 1.00 0.00 C ATOM 1057 CG GLN A 73 2.576 14.968 9.987 1.00 0.00 C ATOM 1058 CD GLN A 73 2.430 15.739 11.283 1.00 0.00 C ATOM 1059 OE1 GLN A 73 1.318 16.030 11.725 1.00 0.00 O ATOM 1060 NE2 GLN A 73 3.550 16.072 11.903 1.00 0.00 N ATOM 0 H GLN A 73 -0.340 12.470 9.009 1.00 0.00 H new ATOM 0 HA GLN A 73 1.615 13.920 7.606 1.00 0.00 H new ATOM 0 HB2 GLN A 73 0.487 14.590 9.733 1.00 0.00 H new ATOM 0 HB3 GLN A 73 1.348 13.321 10.581 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.507 14.402 10.007 1.00 0.00 H new ATOM 0 HG3 GLN A 73 2.647 15.669 9.156 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.451 15.811 11.503 1.00 0.00 H new ATOM 0 HE22 GLN A 73 3.512 16.589 12.781 1.00 0.00 H new ATOM 1069 N GLN A 74 2.734 11.263 9.222 1.00 0.00 N ATOM 1070 CA GLN A 74 3.883 10.372 9.347 1.00 0.00 C ATOM 1071 C GLN A 74 4.207 9.708 8.011 1.00 0.00 C ATOM 1072 O GLN A 74 5.376 9.534 7.663 1.00 0.00 O ATOM 1073 CB GLN A 74 3.634 9.311 10.420 1.00 0.00 C ATOM 1074 CG GLN A 74 3.493 9.886 11.821 1.00 0.00 C ATOM 1075 CD GLN A 74 3.258 8.815 12.870 1.00 0.00 C ATOM 1076 OE1 GLN A 74 4.200 8.293 13.463 1.00 0.00 O ATOM 1077 NE2 GLN A 74 2.001 8.485 13.106 1.00 0.00 N ATOM 0 H GLN A 74 1.913 10.973 9.754 1.00 0.00 H new ATOM 0 HA GLN A 74 4.740 10.974 9.648 1.00 0.00 H new ATOM 0 HB2 GLN A 74 2.728 8.758 10.170 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.457 8.596 10.410 1.00 0.00 H new ATOM 0 HG2 GLN A 74 4.394 10.445 12.073 1.00 0.00 H new ATOM 0 HG3 GLN A 74 2.664 10.594 11.838 1.00 0.00 H new ATOM 0 HE21 GLN A 74 1.248 8.943 12.592 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.783 7.773 13.803 1.00 0.00 H new ATOM 1086 N VAL A 75 3.175 9.348 7.256 1.00 0.00 N ATOM 1087 CA VAL A 75 3.372 8.766 5.938 1.00 0.00 C ATOM 1088 C VAL A 75 3.992 9.782 4.980 1.00 0.00 C ATOM 1089 O VAL A 75 4.869 9.434 4.192 1.00 0.00 O ATOM 1090 CB VAL A 75 2.052 8.225 5.348 1.00 0.00 C ATOM 1091 CG1 VAL A 75 2.249 7.752 3.914 1.00 0.00 C ATOM 1092 CG2 VAL A 75 1.514 7.095 6.212 1.00 0.00 C ATOM 0 H VAL A 75 2.199 9.449 7.534 1.00 0.00 H new ATOM 0 HA VAL A 75 4.058 7.928 6.059 1.00 0.00 H new ATOM 0 HB VAL A 75 1.324 9.036 5.338 1.00 0.00 H new ATOM 0 HG11 VAL A 75 1.304 7.376 3.522 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.591 8.585 3.300 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.993 6.956 3.892 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.583 6.722 5.785 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.245 6.287 6.251 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.328 7.465 7.220 1.00 0.00 H new ATOM 1102 N VAL A 76 3.558 11.038 5.063 1.00 0.00 N ATOM 1103 CA VAL A 76 4.098 12.090 4.199 1.00 0.00 C ATOM 1104 C VAL A 76 5.614 12.213 4.364 1.00 0.00 C ATOM 1105 O VAL A 76 6.350 12.274 3.377 1.00 0.00 O ATOM 1106 CB VAL A 76 3.427 13.458 4.469 1.00 0.00 C ATOM 1107 CG1 VAL A 76 4.142 14.576 3.725 1.00 0.00 C ATOM 1108 CG2 VAL A 76 1.960 13.426 4.071 1.00 0.00 C ATOM 0 H VAL A 76 2.839 11.352 5.714 1.00 0.00 H new ATOM 0 HA VAL A 76 3.876 11.800 3.172 1.00 0.00 H new ATOM 0 HB VAL A 76 3.498 13.655 5.539 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.649 15.525 3.933 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.180 14.626 4.054 1.00 0.00 H new ATOM 0 HG13 VAL A 76 4.110 14.378 2.654 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.508 14.398 4.269 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.876 13.197 3.009 1.00 0.00 H new ATOM 0 HG23 VAL A 76 1.443 12.660 4.649 1.00 0.00 H new ATOM 1118 N SER A 77 6.079 12.225 5.609 1.00 0.00 N ATOM 1119 CA SER A 77 7.508 12.281 5.885 1.00 0.00 C ATOM 1120 C SER A 77 8.226 11.060 5.307 1.00 0.00 C ATOM 1121 O SER A 77 9.340 11.170 4.798 1.00 0.00 O ATOM 1122 CB SER A 77 7.754 12.408 7.393 1.00 0.00 C ATOM 1123 OG SER A 77 6.718 11.784 8.136 1.00 0.00 O ATOM 0 H SER A 77 5.488 12.197 6.440 1.00 0.00 H new ATOM 0 HA SER A 77 7.920 13.164 5.397 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.712 11.954 7.647 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.818 13.461 7.666 1.00 0.00 H new ATOM 0 HG SER A 77 6.472 10.938 7.707 1.00 0.00 H new ATOM 1129 N ARG A 78 7.572 9.902 5.374 1.00 0.00 N ATOM 1130 CA ARG A 78 8.128 8.670 4.817 1.00 0.00 C ATOM 1131 C ARG A 78 8.222 8.752 3.292 1.00 0.00 C ATOM 1132 O ARG A 78 9.164 8.240 2.690 1.00 0.00 O ATOM 1133 CB ARG A 78 7.282 7.468 5.236 1.00 0.00 C ATOM 1134 CG ARG A 78 7.223 7.287 6.741 1.00 0.00 C ATOM 1135 CD ARG A 78 6.441 6.046 7.127 1.00 0.00 C ATOM 1136 NE ARG A 78 6.372 5.869 8.580 1.00 0.00 N ATOM 1137 CZ ARG A 78 7.408 5.510 9.342 1.00 0.00 C ATOM 1138 NH1 ARG A 78 8.620 5.392 8.815 1.00 0.00 N ATOM 1139 NH2 ARG A 78 7.234 5.306 10.639 1.00 0.00 N ATOM 0 H ARG A 78 6.656 9.791 5.809 1.00 0.00 H new ATOM 0 HA ARG A 78 9.136 8.543 5.212 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.270 7.589 4.849 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.691 6.566 4.782 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.235 7.218 7.139 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.761 8.164 7.195 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.431 6.113 6.722 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.907 5.169 6.677 1.00 0.00 H new ATOM 0 HE ARG A 78 5.475 6.030 9.039 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.765 5.576 7.822 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.407 5.117 9.403 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.310 5.423 11.054 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.024 5.032 11.223 1.00 0.00 H new ATOM 1153 N ILE A 79 7.240 9.399 2.678 1.00 0.00 N ATOM 1154 CA ILE A 79 7.249 9.625 1.236 1.00 0.00 C ATOM 1155 C ILE A 79 8.403 10.551 0.855 1.00 0.00 C ATOM 1156 O ILE A 79 9.081 10.341 -0.154 1.00 0.00 O ATOM 1157 CB ILE A 79 5.913 10.237 0.759 1.00 0.00 C ATOM 1158 CG1 ILE A 79 4.751 9.292 1.086 1.00 0.00 C ATOM 1159 CG2 ILE A 79 5.956 10.531 -0.734 1.00 0.00 C ATOM 1160 CD1 ILE A 79 3.384 9.883 0.817 1.00 0.00 C ATOM 0 H ILE A 79 6.423 9.778 3.157 1.00 0.00 H new ATOM 0 HA ILE A 79 7.381 8.660 0.747 1.00 0.00 H new ATOM 0 HB ILE A 79 5.758 11.178 1.286 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.863 8.379 0.501 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.812 9.007 2.136 1.00 0.00 H new ATOM 0 HG21 ILE A 79 5.005 10.961 -1.048 1.00 0.00 H new ATOM 0 HG22 ILE A 79 6.760 11.237 -0.943 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.134 9.606 -1.282 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.615 9.154 1.073 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.250 10.780 1.422 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.301 10.142 -0.239 1.00 0.00 H new ATOM 1172 N ARG A 80 8.635 11.565 1.683 1.00 0.00 N ATOM 1173 CA ARG A 80 9.737 12.501 1.469 1.00 0.00 C ATOM 1174 C ARG A 80 11.080 11.827 1.749 1.00 0.00 C ATOM 1175 O ARG A 80 12.129 12.296 1.304 1.00 0.00 O ATOM 1176 CB ARG A 80 9.586 13.732 2.366 1.00 0.00 C ATOM 1177 CG ARG A 80 8.266 14.472 2.208 1.00 0.00 C ATOM 1178 CD ARG A 80 8.081 15.022 0.803 1.00 0.00 C ATOM 1179 NE ARG A 80 6.908 15.893 0.717 1.00 0.00 N ATOM 1180 CZ ARG A 80 6.263 16.188 -0.412 1.00 0.00 C ATOM 1181 NH1 ARG A 80 6.653 15.672 -1.571 1.00 0.00 N ATOM 1182 NH2 ARG A 80 5.221 17.009 -0.373 1.00 0.00 N ATOM 0 H ARG A 80 8.073 11.761 2.511 1.00 0.00 H new ATOM 0 HA ARG A 80 9.707 12.817 0.426 1.00 0.00 H new ATOM 0 HB2 ARG A 80 9.692 13.423 3.406 1.00 0.00 H new ATOM 0 HB3 ARG A 80 10.402 14.422 2.154 1.00 0.00 H new ATOM 0 HG2 ARG A 80 7.443 13.798 2.444 1.00 0.00 H new ATOM 0 HG3 ARG A 80 8.222 15.291 2.926 1.00 0.00 H new ATOM 0 HD2 ARG A 80 8.971 15.579 0.509 1.00 0.00 H new ATOM 0 HD3 ARG A 80 7.975 14.196 0.099 1.00 0.00 H new ATOM 0 HE ARG A 80 6.559 16.304 1.583 1.00 0.00 H new ATOM 0 HH11 ARG A 80 7.454 15.042 -1.605 1.00 0.00 H new ATOM 0 HH12 ARG A 80 6.151 15.905 -2.428 1.00 0.00 H new ATOM 0 HH21 ARG A 80 4.920 17.409 0.516 1.00 0.00 H new ATOM 0 HH22 ARG A 80 4.722 17.240 -1.232 1.00 0.00 H new ATOM 1196 N ALA A 81 11.044 10.740 2.515 1.00 0.00 N ATOM 1197 CA ALA A 81 12.249 9.993 2.854 1.00 0.00 C ATOM 1198 C ALA A 81 12.789 9.249 1.639 1.00 0.00 C ATOM 1199 O ALA A 81 13.965 8.884 1.594 1.00 0.00 O ATOM 1200 CB ALA A 81 11.976 9.021 3.990 1.00 0.00 C ATOM 0 H ALA A 81 10.187 10.356 2.914 1.00 0.00 H new ATOM 0 HA ALA A 81 13.005 10.707 3.182 1.00 0.00 H new ATOM 0 HB1 ALA A 81 12.888 8.474 4.228 1.00 0.00 H new ATOM 0 HB2 ALA A 81 11.645 9.573 4.870 1.00 0.00 H new ATOM 0 HB3 ALA A 81 11.199 8.318 3.689 1.00 0.00 H new ATOM 1206 N ALA A 82 11.923 9.015 0.664 1.00 0.00 N ATOM 1207 CA ALA A 82 12.333 8.406 -0.587 1.00 0.00 C ATOM 1208 C ALA A 82 13.283 9.339 -1.324 1.00 0.00 C ATOM 1209 O ALA A 82 13.012 10.531 -1.472 1.00 0.00 O ATOM 1210 CB ALA A 82 11.112 8.098 -1.435 1.00 0.00 C ATOM 0 H ALA A 82 10.929 9.239 0.718 1.00 0.00 H new ATOM 0 HA ALA A 82 12.854 7.471 -0.384 1.00 0.00 H new ATOM 0 HB1 ALA A 82 11.427 7.641 -2.373 1.00 0.00 H new ATOM 0 HB2 ALA A 82 10.459 7.410 -0.897 1.00 0.00 H new ATOM 0 HB3 ALA A 82 10.572 9.021 -1.644 1.00 0.00 H new ATOM 1216 N LEU A 83 14.403 8.790 -1.769 1.00 0.00 N ATOM 1217 CA LEU A 83 15.453 9.577 -2.405 1.00 0.00 C ATOM 1218 C LEU A 83 15.072 9.956 -3.824 1.00 0.00 C ATOM 1219 O LEU A 83 15.139 11.119 -4.214 1.00 0.00 O ATOM 1220 CB LEU A 83 16.765 8.792 -2.421 1.00 0.00 C ATOM 1221 CG LEU A 83 17.410 8.557 -1.053 1.00 0.00 C ATOM 1222 CD1 LEU A 83 18.697 7.761 -1.203 1.00 0.00 C ATOM 1223 CD2 LEU A 83 17.684 9.882 -0.354 1.00 0.00 C ATOM 0 H LEU A 83 14.611 7.794 -1.701 1.00 0.00 H new ATOM 0 HA LEU A 83 15.582 10.491 -1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 83 16.583 7.824 -2.888 1.00 0.00 H new ATOM 0 HB3 LEU A 83 17.478 9.322 -3.053 1.00 0.00 H new ATOM 0 HG LEU A 83 16.715 7.983 -0.440 1.00 0.00 H new ATOM 0 HD11 LEU A 83 19.143 7.602 -0.221 1.00 0.00 H new ATOM 0 HD12 LEU A 83 18.477 6.797 -1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 83 19.394 8.312 -1.834 1.00 0.00 H new ATOM 0 HD21 LEU A 83 18.142 9.693 0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 83 18.359 10.482 -0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 83 16.747 10.420 -0.214 1.00 0.00 H new ATOM 1235 N ASN A 84 14.696 8.959 -4.597 1.00 0.00 N ATOM 1236 CA ASN A 84 14.286 9.178 -5.974 1.00 0.00 C ATOM 1237 C ASN A 84 12.992 8.439 -6.276 1.00 0.00 C ATOM 1238 O ASN A 84 12.269 8.796 -7.202 1.00 0.00 O ATOM 1239 CB ASN A 84 15.387 8.720 -6.938 1.00 0.00 C ATOM 1240 CG ASN A 84 15.718 7.245 -6.795 1.00 0.00 C ATOM 1241 OD1 ASN A 84 15.116 6.390 -7.444 1.00 0.00 O ATOM 1242 ND2 ASN A 84 16.687 6.937 -5.946 1.00 0.00 N ATOM 0 H ASN A 84 14.665 7.985 -4.297 1.00 0.00 H new ATOM 0 HA ASN A 84 14.116 10.246 -6.111 1.00 0.00 H new ATOM 0 HB2 ASN A 84 15.073 8.919 -7.962 1.00 0.00 H new ATOM 0 HB3 ASN A 84 16.287 9.309 -6.760 1.00 0.00 H new ATOM 0 HD21 ASN A 84 16.957 5.963 -5.812 1.00 0.00 H new ATOM 0 HD22 ASN A 84 17.163 7.674 -5.426 1.00 0.00 H new ATOM 1249 N ALA A 85 12.699 7.413 -5.492 1.00 0.00 N ATOM 1250 CA ALA A 85 11.523 6.594 -5.731 1.00 0.00 C ATOM 1251 C ALA A 85 11.006 5.998 -4.437 1.00 0.00 C ATOM 1252 O ALA A 85 11.767 5.793 -3.491 1.00 0.00 O ATOM 1253 CB ALA A 85 11.843 5.496 -6.732 1.00 0.00 C ATOM 0 H ALA A 85 13.258 7.129 -4.687 1.00 0.00 H new ATOM 0 HA ALA A 85 10.741 7.230 -6.145 1.00 0.00 H new ATOM 0 HB1 ALA A 85 10.954 4.889 -6.903 1.00 0.00 H new ATOM 0 HB2 ALA A 85 12.163 5.943 -7.673 1.00 0.00 H new ATOM 0 HB3 ALA A 85 12.642 4.867 -6.339 1.00 0.00 H new ATOM 1259 N VAL A 86 9.717 5.715 -4.398 1.00 0.00 N ATOM 1260 CA VAL A 86 9.098 5.151 -3.215 1.00 0.00 C ATOM 1261 C VAL A 86 8.371 3.853 -3.568 1.00 0.00 C ATOM 1262 O VAL A 86 7.785 3.729 -4.644 1.00 0.00 O ATOM 1263 CB VAL A 86 8.113 6.153 -2.561 1.00 0.00 C ATOM 1264 CG1 VAL A 86 6.918 6.430 -3.463 1.00 0.00 C ATOM 1265 CG2 VAL A 86 7.657 5.657 -1.197 1.00 0.00 C ATOM 0 H VAL A 86 9.076 5.868 -5.177 1.00 0.00 H new ATOM 0 HA VAL A 86 9.887 4.936 -2.494 1.00 0.00 H new ATOM 0 HB VAL A 86 8.647 7.093 -2.421 1.00 0.00 H new ATOM 0 HG11 VAL A 86 6.248 7.137 -2.973 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.264 6.853 -4.406 1.00 0.00 H new ATOM 0 HG13 VAL A 86 6.385 5.499 -3.657 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.967 6.378 -0.760 1.00 0.00 H new ATOM 0 HG22 VAL A 86 7.155 4.696 -1.308 1.00 0.00 H new ATOM 0 HG23 VAL A 86 8.522 5.541 -0.544 1.00 0.00 H new ATOM 1275 N ARG A 87 8.442 2.876 -2.678 1.00 0.00 N ATOM 1276 CA ARG A 87 7.723 1.626 -2.864 1.00 0.00 C ATOM 1277 C ARG A 87 6.452 1.633 -2.036 1.00 0.00 C ATOM 1278 O ARG A 87 6.504 1.662 -0.809 1.00 0.00 O ATOM 1279 CB ARG A 87 8.587 0.432 -2.463 1.00 0.00 C ATOM 1280 CG ARG A 87 9.803 0.224 -3.349 1.00 0.00 C ATOM 1281 CD ARG A 87 10.557 -1.031 -2.946 1.00 0.00 C ATOM 1282 NE ARG A 87 11.671 -1.326 -3.842 1.00 0.00 N ATOM 1283 CZ ARG A 87 12.469 -2.383 -3.702 1.00 0.00 C ATOM 1284 NH1 ARG A 87 12.300 -3.217 -2.683 1.00 0.00 N ATOM 1285 NH2 ARG A 87 13.445 -2.598 -4.572 1.00 0.00 N ATOM 0 H ARG A 87 8.990 2.925 -1.819 1.00 0.00 H new ATOM 0 HA ARG A 87 7.472 1.533 -3.921 1.00 0.00 H new ATOM 0 HB2 ARG A 87 8.919 0.566 -1.434 1.00 0.00 H new ATOM 0 HB3 ARG A 87 7.975 -0.470 -2.485 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.491 0.147 -4.390 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.463 1.089 -3.277 1.00 0.00 H new ATOM 0 HD2 ARG A 87 10.933 -0.914 -1.930 1.00 0.00 H new ATOM 0 HD3 ARG A 87 9.869 -1.877 -2.936 1.00 0.00 H new ATOM 0 HE ARG A 87 11.848 -0.688 -4.618 1.00 0.00 H new ATOM 0 HH11 ARG A 87 11.557 -3.049 -2.004 1.00 0.00 H new ATOM 0 HH12 ARG A 87 12.913 -4.026 -2.579 1.00 0.00 H new ATOM 0 HH21 ARG A 87 13.586 -1.954 -5.350 1.00 0.00 H new ATOM 0 HH22 ARG A 87 14.056 -3.408 -4.464 1.00 0.00 H new ATOM 1299 N LEU A 88 5.318 1.618 -2.704 1.00 0.00 N ATOM 1300 CA LEU A 88 4.037 1.656 -2.018 1.00 0.00 C ATOM 1301 C LEU A 88 3.330 0.316 -2.137 1.00 0.00 C ATOM 1302 O LEU A 88 3.038 -0.146 -3.236 1.00 0.00 O ATOM 1303 CB LEU A 88 3.159 2.768 -2.593 1.00 0.00 C ATOM 1304 CG LEU A 88 3.741 4.176 -2.458 1.00 0.00 C ATOM 1305 CD1 LEU A 88 2.835 5.197 -3.121 1.00 0.00 C ATOM 1306 CD2 LEU A 88 3.957 4.528 -0.994 1.00 0.00 C ATOM 0 H LEU A 88 5.254 1.580 -3.721 1.00 0.00 H new ATOM 0 HA LEU A 88 4.217 1.862 -0.963 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.981 2.563 -3.649 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.190 2.741 -2.095 1.00 0.00 H new ATOM 0 HG LEU A 88 4.707 4.195 -2.963 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.268 6.192 -3.013 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.732 4.959 -4.180 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.854 5.175 -2.647 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.372 5.533 -0.919 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.004 4.488 -0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 88 4.650 3.815 -0.547 1.00 0.00 H new ATOM 1318 N LEU A 89 3.066 -0.311 -1.006 1.00 0.00 N ATOM 1319 CA LEU A 89 2.361 -1.579 -0.996 1.00 0.00 C ATOM 1320 C LEU A 89 0.881 -1.322 -0.791 1.00 0.00 C ATOM 1321 O LEU A 89 0.477 -0.800 0.250 1.00 0.00 O ATOM 1322 CB LEU A 89 2.885 -2.475 0.129 1.00 0.00 C ATOM 1323 CG LEU A 89 2.261 -3.871 0.201 1.00 0.00 C ATOM 1324 CD1 LEU A 89 2.771 -4.755 -0.926 1.00 0.00 C ATOM 1325 CD2 LEU A 89 2.548 -4.513 1.544 1.00 0.00 C ATOM 0 H LEU A 89 3.329 0.036 -0.084 1.00 0.00 H new ATOM 0 HA LEU A 89 2.524 -2.084 -1.948 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.963 -2.583 0.012 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.717 -1.971 1.081 1.00 0.00 H new ATOM 0 HG LEU A 89 1.182 -3.763 0.088 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.312 -5.741 -0.851 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.513 -4.306 -1.885 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.854 -4.852 -0.850 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.097 -5.505 1.577 1.00 0.00 H new ATOM 0 HD22 LEU A 89 3.626 -4.600 1.683 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.128 -3.897 2.339 1.00 0.00 H new ATOM 1337 N VAL A 90 0.074 -1.663 -1.779 1.00 0.00 N ATOM 1338 CA VAL A 90 -1.357 -1.457 -1.674 1.00 0.00 C ATOM 1339 C VAL A 90 -2.115 -2.733 -1.985 1.00 0.00 C ATOM 1340 O VAL A 90 -1.637 -3.593 -2.727 1.00 0.00 O ATOM 1341 CB VAL A 90 -1.866 -0.327 -2.597 1.00 0.00 C ATOM 1342 CG1 VAL A 90 -1.264 1.014 -2.211 1.00 0.00 C ATOM 1343 CG2 VAL A 90 -1.588 -0.643 -4.059 1.00 0.00 C ATOM 0 H VAL A 90 0.383 -2.081 -2.657 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.543 -1.159 -0.642 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.946 -0.260 -2.467 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.642 1.788 -2.879 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.540 1.255 -1.184 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.178 0.962 -2.293 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.957 0.170 -4.684 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.514 -0.757 -4.209 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.093 -1.569 -4.333 1.00 0.00 H new ATOM 1353 N VAL A 91 -3.299 -2.838 -1.412 1.00 0.00 N ATOM 1354 CA VAL A 91 -4.142 -4.005 -1.582 1.00 0.00 C ATOM 1355 C VAL A 91 -5.607 -3.582 -1.527 1.00 0.00 C ATOM 1356 O VAL A 91 -5.932 -2.550 -0.938 1.00 0.00 O ATOM 1357 CB VAL A 91 -3.851 -5.056 -0.481 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -4.142 -4.489 0.897 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -4.639 -6.340 -0.715 1.00 0.00 C ATOM 0 H VAL A 91 -3.703 -2.116 -0.815 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.928 -4.458 -2.550 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.791 -5.304 -0.533 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.930 -5.245 1.653 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.514 -3.615 1.071 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.191 -4.199 0.957 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.412 -7.056 0.075 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.706 -6.118 -0.708 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.363 -6.765 -1.680 1.00 0.00 H new ATOM 1369 N ASP A 92 -6.472 -4.352 -2.175 1.00 0.00 N ATOM 1370 CA ASP A 92 -7.912 -4.155 -2.054 1.00 0.00 C ATOM 1371 C ASP A 92 -8.311 -4.169 -0.583 1.00 0.00 C ATOM 1372 O ASP A 92 -8.113 -5.162 0.119 1.00 0.00 O ATOM 1373 CB ASP A 92 -8.664 -5.252 -2.809 1.00 0.00 C ATOM 1374 CG ASP A 92 -10.168 -5.155 -2.637 1.00 0.00 C ATOM 1375 OD1 ASP A 92 -10.696 -5.708 -1.651 1.00 0.00 O ATOM 1376 OD2 ASP A 92 -10.829 -4.539 -3.498 1.00 0.00 O ATOM 0 H ASP A 92 -6.202 -5.119 -2.790 1.00 0.00 H new ATOM 0 HA ASP A 92 -8.174 -3.190 -2.489 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -8.419 -5.191 -3.869 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.324 -6.227 -2.459 1.00 0.00 H new ATOM 1381 N PRO A 93 -8.871 -3.043 -0.113 1.00 0.00 N ATOM 1382 CA PRO A 93 -9.123 -2.796 1.312 1.00 0.00 C ATOM 1383 C PRO A 93 -10.003 -3.853 1.968 1.00 0.00 C ATOM 1384 O PRO A 93 -9.752 -4.255 3.104 1.00 0.00 O ATOM 1385 CB PRO A 93 -9.829 -1.433 1.328 1.00 0.00 C ATOM 1386 CG PRO A 93 -10.308 -1.224 -0.068 1.00 0.00 C ATOM 1387 CD PRO A 93 -9.313 -1.916 -0.947 1.00 0.00 C ATOM 0 HA PRO A 93 -8.194 -2.824 1.881 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -10.659 -1.428 2.034 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -9.147 -0.640 1.633 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -11.307 -1.639 -0.205 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -10.369 -0.162 -0.306 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.764 -2.255 -1.880 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.484 -1.261 -1.214 1.00 0.00 H new ATOM 1395 N GLU A 94 -11.040 -4.292 1.263 1.00 0.00 N ATOM 1396 CA GLU A 94 -11.947 -5.294 1.803 1.00 0.00 C ATOM 1397 C GLU A 94 -11.294 -6.670 1.823 1.00 0.00 C ATOM 1398 O GLU A 94 -11.489 -7.444 2.762 1.00 0.00 O ATOM 1399 CB GLU A 94 -13.264 -5.323 1.029 1.00 0.00 C ATOM 1400 CG GLU A 94 -14.038 -4.022 1.134 1.00 0.00 C ATOM 1401 CD GLU A 94 -15.510 -4.192 0.831 1.00 0.00 C ATOM 1402 OE1 GLU A 94 -16.238 -4.731 1.692 1.00 0.00 O ATOM 1403 OE2 GLU A 94 -15.951 -3.784 -0.263 1.00 0.00 O ATOM 0 H GLU A 94 -11.271 -3.971 0.323 1.00 0.00 H new ATOM 0 HA GLU A 94 -12.173 -5.016 2.832 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -13.059 -5.534 -0.020 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -13.882 -6.139 1.403 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -13.923 -3.616 2.139 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -13.611 -3.294 0.445 1.00 0.00 H new ATOM 1410 N THR A 95 -10.507 -6.970 0.798 1.00 0.00 N ATOM 1411 CA THR A 95 -9.780 -8.229 0.758 1.00 0.00 C ATOM 1412 C THR A 95 -8.732 -8.269 1.864 1.00 0.00 C ATOM 1413 O THR A 95 -8.510 -9.305 2.486 1.00 0.00 O ATOM 1414 CB THR A 95 -9.084 -8.459 -0.597 1.00 0.00 C ATOM 1415 OG1 THR A 95 -10.023 -8.287 -1.668 1.00 0.00 O ATOM 1416 CG2 THR A 95 -8.493 -9.863 -0.655 1.00 0.00 C ATOM 0 H THR A 95 -10.357 -6.364 -0.009 1.00 0.00 H new ATOM 0 HA THR A 95 -10.514 -9.021 0.903 1.00 0.00 H new ATOM 0 HB THR A 95 -8.281 -7.730 -0.703 1.00 0.00 H new ATOM 0 HG1 THR A 95 -10.367 -7.370 -1.657 1.00 0.00 H new ATOM 0 HG21 THR A 95 -8.004 -10.013 -1.618 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.763 -9.984 0.145 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.289 -10.598 -0.534 1.00 0.00 H new ATOM 1424 N ASP A 96 -8.096 -7.132 2.109 1.00 0.00 N ATOM 1425 CA ASP A 96 -7.115 -7.028 3.181 1.00 0.00 C ATOM 1426 C ASP A 96 -7.768 -7.304 4.528 1.00 0.00 C ATOM 1427 O ASP A 96 -7.181 -7.955 5.390 1.00 0.00 O ATOM 1428 CB ASP A 96 -6.466 -5.646 3.191 1.00 0.00 C ATOM 1429 CG ASP A 96 -5.431 -5.502 4.289 1.00 0.00 C ATOM 1430 OD1 ASP A 96 -4.344 -6.107 4.167 1.00 0.00 O ATOM 1431 OD2 ASP A 96 -5.705 -4.790 5.276 1.00 0.00 O ATOM 0 H ASP A 96 -8.241 -6.271 1.582 1.00 0.00 H new ATOM 0 HA ASP A 96 -6.341 -7.774 3.003 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.995 -5.462 2.225 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -7.237 -4.886 3.320 1.00 0.00 H new ATOM 1436 N GLU A 97 -9.009 -6.853 4.677 1.00 0.00 N ATOM 1437 CA GLU A 97 -9.747 -7.034 5.919 1.00 0.00 C ATOM 1438 C GLU A 97 -9.851 -8.519 6.262 1.00 0.00 C ATOM 1439 O GLU A 97 -9.573 -8.924 7.394 1.00 0.00 O ATOM 1440 CB GLU A 97 -11.149 -6.433 5.797 1.00 0.00 C ATOM 1441 CG GLU A 97 -11.530 -5.527 6.955 1.00 0.00 C ATOM 1442 CD GLU A 97 -10.768 -4.219 6.944 1.00 0.00 C ATOM 1443 OE1 GLU A 97 -11.194 -3.283 6.233 1.00 0.00 O ATOM 1444 OE2 GLU A 97 -9.741 -4.115 7.646 1.00 0.00 O ATOM 0 H GLU A 97 -9.525 -6.358 3.950 1.00 0.00 H new ATOM 0 HA GLU A 97 -9.209 -6.521 6.717 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -11.212 -5.866 4.868 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -11.876 -7.242 5.726 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -12.600 -5.321 6.914 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -11.341 -6.046 7.895 1.00 0.00 H new ATOM 1451 N GLN A 98 -10.243 -9.330 5.284 1.00 0.00 N ATOM 1452 CA GLN A 98 -10.339 -10.767 5.496 1.00 0.00 C ATOM 1453 C GLN A 98 -8.950 -11.402 5.585 1.00 0.00 C ATOM 1454 O GLN A 98 -8.703 -12.233 6.457 1.00 0.00 O ATOM 1455 CB GLN A 98 -11.180 -11.446 4.402 1.00 0.00 C ATOM 1456 CG GLN A 98 -10.625 -11.292 2.998 1.00 0.00 C ATOM 1457 CD GLN A 98 -11.369 -12.127 1.977 1.00 0.00 C ATOM 1458 OE1 GLN A 98 -12.340 -11.675 1.377 1.00 0.00 O ATOM 1459 NE2 GLN A 98 -10.915 -13.354 1.776 1.00 0.00 N ATOM 0 H GLN A 98 -10.497 -9.019 4.346 1.00 0.00 H new ATOM 0 HA GLN A 98 -10.848 -10.923 6.447 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -11.264 -12.508 4.632 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -12.189 -11.034 4.428 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -10.673 -10.243 2.707 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -9.573 -11.576 2.995 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -10.105 -13.690 2.297 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -11.376 -13.964 1.101 1.00 0.00 H new ATOM 1468 N LEU A 99 -8.036 -10.989 4.703 1.00 0.00 N ATOM 1469 CA LEU A 99 -6.699 -11.576 4.661 1.00 0.00 C ATOM 1470 C LEU A 99 -5.976 -11.398 5.993 1.00 0.00 C ATOM 1471 O LEU A 99 -5.373 -12.337 6.509 1.00 0.00 O ATOM 1472 CB LEU A 99 -5.854 -10.975 3.528 1.00 0.00 C ATOM 1473 CG LEU A 99 -6.187 -11.476 2.117 1.00 0.00 C ATOM 1474 CD1 LEU A 99 -5.246 -10.848 1.100 1.00 0.00 C ATOM 1475 CD2 LEU A 99 -6.093 -12.998 2.042 1.00 0.00 C ATOM 0 H LEU A 99 -8.198 -10.255 4.013 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.826 -12.641 4.469 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.971 -9.891 3.547 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.804 -11.186 3.731 1.00 0.00 H new ATOM 0 HG LEU A 99 -7.211 -11.182 1.886 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -5.493 -11.212 0.103 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.352 -9.764 1.127 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -4.218 -11.118 1.340 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -6.334 -13.328 1.031 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.081 -13.313 2.295 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -6.798 -13.441 2.746 1.00 0.00 H new ATOM 1487 N GLN A 100 -6.070 -10.203 6.563 1.00 0.00 N ATOM 1488 CA GLN A 100 -5.376 -9.898 7.810 1.00 0.00 C ATOM 1489 C GLN A 100 -5.852 -10.785 8.954 1.00 0.00 C ATOM 1490 O GLN A 100 -5.046 -11.213 9.784 1.00 0.00 O ATOM 1491 CB GLN A 100 -5.555 -8.430 8.202 1.00 0.00 C ATOM 1492 CG GLN A 100 -4.852 -7.450 7.279 1.00 0.00 C ATOM 1493 CD GLN A 100 -3.359 -7.700 7.161 1.00 0.00 C ATOM 1494 OE1 GLN A 100 -2.723 -8.230 8.077 1.00 0.00 O ATOM 1495 NE2 GLN A 100 -2.785 -7.299 6.040 1.00 0.00 N ATOM 0 H GLN A 100 -6.618 -9.431 6.184 1.00 0.00 H new ATOM 0 HA GLN A 100 -4.319 -10.095 7.632 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -6.620 -8.197 8.218 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -5.182 -8.288 9.216 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -5.302 -7.508 6.288 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -5.016 -6.436 7.645 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -3.346 -6.865 5.307 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -1.781 -7.423 5.908 1.00 0.00 H new ATOM 1504 N LYS A 101 -7.151 -11.073 8.999 1.00 0.00 N ATOM 1505 CA LYS A 101 -7.708 -11.869 10.091 1.00 0.00 C ATOM 1506 C LYS A 101 -7.355 -13.345 9.910 1.00 0.00 C ATOM 1507 O LYS A 101 -7.376 -14.121 10.865 1.00 0.00 O ATOM 1508 CB LYS A 101 -9.228 -11.677 10.199 1.00 0.00 C ATOM 1509 CG LYS A 101 -10.048 -12.543 9.257 1.00 0.00 C ATOM 1510 CD LYS A 101 -11.525 -12.187 9.340 1.00 0.00 C ATOM 1511 CE LYS A 101 -12.414 -13.291 8.792 1.00 0.00 C ATOM 1512 NZ LYS A 101 -12.362 -14.515 9.639 1.00 0.00 N ATOM 0 H LYS A 101 -7.831 -10.771 8.301 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.265 -11.521 11.024 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.535 -11.888 11.223 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.463 -10.630 10.005 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.695 -12.410 8.234 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.908 -13.594 9.509 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.792 -11.990 10.378 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -11.707 -11.267 8.784 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -13.442 -12.934 8.732 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.103 -13.538 7.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.208 -15.094 9.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -11.511 -15.065 9.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -12.331 -14.242 10.642 1.00 0.00 H new ATOM 1526 N LEU A 102 -7.005 -13.718 8.682 1.00 0.00 N ATOM 1527 CA LEU A 102 -6.586 -15.083 8.380 1.00 0.00 C ATOM 1528 C LEU A 102 -5.154 -15.319 8.852 1.00 0.00 C ATOM 1529 O LEU A 102 -4.628 -16.428 8.753 1.00 0.00 O ATOM 1530 CB LEU A 102 -6.678 -15.345 6.873 1.00 0.00 C ATOM 1531 CG LEU A 102 -8.078 -15.219 6.270 1.00 0.00 C ATOM 1532 CD1 LEU A 102 -8.014 -15.310 4.753 1.00 0.00 C ATOM 1533 CD2 LEU A 102 -9.000 -16.291 6.827 1.00 0.00 C ATOM 0 H LEU A 102 -7.003 -13.091 7.877 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.251 -15.769 8.905 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.015 -14.649 6.359 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -6.303 -16.349 6.672 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.482 -14.244 6.542 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -9.019 -15.218 4.340 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.388 -14.506 4.366 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -7.589 -16.271 4.464 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -9.991 -16.184 6.386 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -8.600 -17.276 6.586 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -9.071 -16.183 7.909 1.00 0.00 H new ATOM 1545 N GLY A 103 -4.527 -14.266 9.366 1.00 0.00 N ATOM 1546 CA GLY A 103 -3.154 -14.365 9.816 1.00 0.00 C ATOM 1547 C GLY A 103 -2.177 -14.167 8.680 1.00 0.00 C ATOM 1548 O GLY A 103 -1.082 -14.725 8.683 1.00 0.00 O ATOM 0 H GLY A 103 -4.948 -13.344 9.478 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -2.970 -13.619 10.589 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.990 -15.342 10.271 1.00 0.00 H new ATOM 1552 N VAL A 104 -2.583 -13.368 7.707 1.00 0.00 N ATOM 1553 CA VAL A 104 -1.777 -13.118 6.523 1.00 0.00 C ATOM 1554 C VAL A 104 -0.841 -11.932 6.714 1.00 0.00 C ATOM 1555 O VAL A 104 -1.254 -10.864 7.167 1.00 0.00 O ATOM 1556 CB VAL A 104 -2.675 -12.867 5.293 1.00 0.00 C ATOM 1557 CG1 VAL A 104 -1.880 -12.281 4.136 1.00 0.00 C ATOM 1558 CG2 VAL A 104 -3.364 -14.158 4.872 1.00 0.00 C ATOM 0 H VAL A 104 -3.477 -12.876 7.715 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.173 -14.010 6.357 1.00 0.00 H new ATOM 0 HB VAL A 104 -3.435 -12.138 5.573 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -2.542 -12.116 3.286 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -1.439 -11.332 4.441 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -1.089 -12.974 3.851 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.994 -13.967 4.003 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -2.612 -14.905 4.618 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -3.979 -14.527 5.693 1.00 0.00 H new ATOM 1568 N GLN A 105 0.424 -12.136 6.370 1.00 0.00 N ATOM 1569 CA GLN A 105 1.405 -11.065 6.387 1.00 0.00 C ATOM 1570 C GLN A 105 1.518 -10.461 4.990 1.00 0.00 C ATOM 1571 O GLN A 105 2.374 -10.850 4.192 1.00 0.00 O ATOM 1572 CB GLN A 105 2.773 -11.573 6.849 1.00 0.00 C ATOM 1573 CG GLN A 105 2.744 -12.353 8.157 1.00 0.00 C ATOM 1574 CD GLN A 105 2.333 -13.802 7.977 1.00 0.00 C ATOM 1575 OE1 GLN A 105 1.752 -14.408 8.870 1.00 0.00 O ATOM 1576 NE2 GLN A 105 2.635 -14.367 6.815 1.00 0.00 N ATOM 0 H GLN A 105 0.794 -13.040 6.075 1.00 0.00 H new ATOM 0 HA GLN A 105 1.075 -10.304 7.094 1.00 0.00 H new ATOM 0 HB2 GLN A 105 3.193 -12.209 6.070 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.444 -10.722 6.962 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.732 -12.316 8.617 1.00 0.00 H new ATOM 0 HG3 GLN A 105 2.053 -11.869 8.847 1.00 0.00 H new ATOM 0 HE21 GLN A 105 3.119 -13.829 6.097 1.00 0.00 H new ATOM 0 HE22 GLN A 105 2.383 -15.340 6.640 1.00 0.00 H new ATOM 1585 N VAL A 106 0.634 -9.519 4.709 1.00 0.00 N ATOM 1586 CA VAL A 106 0.527 -8.890 3.397 1.00 0.00 C ATOM 1587 C VAL A 106 1.777 -8.070 3.042 1.00 0.00 C ATOM 1588 O VAL A 106 2.039 -7.800 1.869 1.00 0.00 O ATOM 1589 CB VAL A 106 -0.756 -8.007 3.348 1.00 0.00 C ATOM 1590 CG1 VAL A 106 -0.526 -6.653 2.684 1.00 0.00 C ATOM 1591 CG2 VAL A 106 -1.885 -8.755 2.654 1.00 0.00 C ATOM 0 H VAL A 106 -0.038 -9.164 5.389 1.00 0.00 H new ATOM 0 HA VAL A 106 0.452 -9.678 2.647 1.00 0.00 H new ATOM 0 HB VAL A 106 -1.035 -7.802 4.382 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -1.457 -6.086 2.681 1.00 0.00 H new ATOM 0 HG12 VAL A 106 0.233 -6.101 3.237 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -0.190 -6.803 1.658 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -2.775 -8.126 2.627 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -1.585 -9.003 1.636 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -2.105 -9.672 3.201 1.00 0.00 H new ATOM 1601 N ARG A 107 2.577 -7.748 4.054 1.00 0.00 N ATOM 1602 CA ARG A 107 3.647 -6.761 3.915 1.00 0.00 C ATOM 1603 C ARG A 107 4.680 -7.123 2.848 1.00 0.00 C ATOM 1604 O ARG A 107 5.045 -6.275 2.035 1.00 0.00 O ATOM 1605 CB ARG A 107 4.354 -6.577 5.256 1.00 0.00 C ATOM 1606 CG ARG A 107 5.479 -5.560 5.208 1.00 0.00 C ATOM 1607 CD ARG A 107 6.233 -5.483 6.523 1.00 0.00 C ATOM 1608 NE ARG A 107 7.192 -4.388 6.516 1.00 0.00 N ATOM 1609 CZ ARG A 107 8.267 -4.323 7.294 1.00 0.00 C ATOM 1610 NH1 ARG A 107 8.542 -5.299 8.149 1.00 0.00 N ATOM 1611 NH2 ARG A 107 9.081 -3.285 7.210 1.00 0.00 N ATOM 0 H ARG A 107 2.505 -8.158 4.985 1.00 0.00 H new ATOM 0 HA ARG A 107 3.171 -5.835 3.593 1.00 0.00 H new ATOM 0 HB2 ARG A 107 3.624 -6.266 6.004 1.00 0.00 H new ATOM 0 HB3 ARG A 107 4.755 -7.537 5.582 1.00 0.00 H new ATOM 0 HG2 ARG A 107 6.171 -5.823 4.408 1.00 0.00 H new ATOM 0 HG3 ARG A 107 5.070 -4.579 4.966 1.00 0.00 H new ATOM 0 HD2 ARG A 107 5.527 -5.347 7.342 1.00 0.00 H new ATOM 0 HD3 ARG A 107 6.753 -6.424 6.703 1.00 0.00 H new ATOM 0 HE ARG A 107 7.027 -3.617 5.869 1.00 0.00 H new ATOM 0 HH11 ARG A 107 7.926 -6.109 8.214 1.00 0.00 H new ATOM 0 HH12 ARG A 107 9.370 -5.239 8.742 1.00 0.00 H new ATOM 0 HH21 ARG A 107 8.884 -2.534 6.548 1.00 0.00 H new ATOM 0 HH22 ARG A 107 9.906 -3.235 7.807 1.00 0.00 H new ATOM 1625 N GLU A 108 5.146 -8.361 2.823 1.00 0.00 N ATOM 1626 CA GLU A 108 6.159 -8.725 1.840 1.00 0.00 C ATOM 1627 C GLU A 108 6.344 -10.239 1.737 1.00 0.00 C ATOM 1628 O GLU A 108 7.012 -10.722 0.827 1.00 0.00 O ATOM 1629 CB GLU A 108 7.501 -8.065 2.181 1.00 0.00 C ATOM 1630 CG GLU A 108 8.445 -7.960 0.992 1.00 0.00 C ATOM 1631 CD GLU A 108 9.790 -7.369 1.358 1.00 0.00 C ATOM 1632 OE1 GLU A 108 9.865 -6.154 1.622 1.00 0.00 O ATOM 1633 OE2 GLU A 108 10.784 -8.127 1.383 1.00 0.00 O ATOM 0 H GLU A 108 4.853 -9.111 3.449 1.00 0.00 H new ATOM 0 HA GLU A 108 5.808 -8.363 0.873 1.00 0.00 H new ATOM 0 HB2 GLU A 108 7.316 -7.067 2.577 1.00 0.00 H new ATOM 0 HB3 GLU A 108 7.987 -8.636 2.972 1.00 0.00 H new ATOM 0 HG2 GLU A 108 8.594 -8.951 0.564 1.00 0.00 H new ATOM 0 HG3 GLU A 108 7.982 -7.346 0.220 1.00 0.00 H new ATOM 1640 N GLU A 109 5.745 -10.985 2.664 1.00 0.00 N ATOM 1641 CA GLU A 109 5.873 -12.444 2.673 1.00 0.00 C ATOM 1642 C GLU A 109 5.433 -13.030 1.334 1.00 0.00 C ATOM 1643 O GLU A 109 6.069 -13.938 0.798 1.00 0.00 O ATOM 1644 CB GLU A 109 5.034 -13.046 3.801 1.00 0.00 C ATOM 1645 CG GLU A 109 5.466 -12.608 5.191 1.00 0.00 C ATOM 1646 CD GLU A 109 6.871 -13.050 5.533 1.00 0.00 C ATOM 1647 OE1 GLU A 109 7.076 -14.260 5.759 1.00 0.00 O ATOM 1648 OE2 GLU A 109 7.775 -12.193 5.573 1.00 0.00 O ATOM 0 H GLU A 109 5.169 -10.607 3.416 1.00 0.00 H new ATOM 0 HA GLU A 109 6.921 -12.692 2.838 1.00 0.00 H new ATOM 0 HB2 GLU A 109 3.990 -12.770 3.652 1.00 0.00 H new ATOM 0 HB3 GLU A 109 5.088 -14.133 3.740 1.00 0.00 H new ATOM 0 HG2 GLU A 109 5.404 -11.522 5.261 1.00 0.00 H new ATOM 0 HG3 GLU A 109 4.773 -13.014 5.927 1.00 0.00 H new ATOM 1655 N LEU A 110 4.353 -12.480 0.793 1.00 0.00 N ATOM 1656 CA LEU A 110 3.833 -12.909 -0.500 1.00 0.00 C ATOM 1657 C LEU A 110 4.810 -12.598 -1.621 1.00 0.00 C ATOM 1658 O LEU A 110 5.028 -13.415 -2.513 1.00 0.00 O ATOM 1659 CB LEU A 110 2.510 -12.202 -0.787 1.00 0.00 C ATOM 1660 CG LEU A 110 1.303 -12.751 -0.041 1.00 0.00 C ATOM 1661 CD1 LEU A 110 0.111 -11.829 -0.227 1.00 0.00 C ATOM 1662 CD2 LEU A 110 0.982 -14.154 -0.536 1.00 0.00 C ATOM 0 H LEU A 110 3.817 -11.732 1.232 1.00 0.00 H new ATOM 0 HA LEU A 110 3.683 -13.988 -0.456 1.00 0.00 H new ATOM 0 HB2 LEU A 110 2.620 -11.146 -0.539 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.311 -12.259 -1.857 1.00 0.00 H new ATOM 0 HG LEU A 110 1.533 -12.803 1.023 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -0.747 -12.231 0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 110 0.352 -10.840 0.162 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -0.128 -11.753 -1.288 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.117 -14.541 0.003 1.00 0.00 H new ATOM 0 HD22 LEU A 110 0.761 -14.122 -1.603 1.00 0.00 H new ATOM 0 HD23 LEU A 110 1.838 -14.806 -0.363 1.00 0.00 H new ATOM 1674 N LEU A 111 5.428 -11.435 -1.541 1.00 0.00 N ATOM 1675 CA LEU A 111 6.234 -10.928 -2.636 1.00 0.00 C ATOM 1676 C LEU A 111 7.646 -11.503 -2.589 1.00 0.00 C ATOM 1677 O LEU A 111 8.410 -11.386 -3.546 1.00 0.00 O ATOM 1678 CB LEU A 111 6.283 -9.396 -2.602 1.00 0.00 C ATOM 1679 CG LEU A 111 4.924 -8.684 -2.662 1.00 0.00 C ATOM 1680 CD1 LEU A 111 4.324 -8.511 -1.267 1.00 0.00 C ATOM 1681 CD2 LEU A 111 5.068 -7.339 -3.345 1.00 0.00 C ATOM 0 H LEU A 111 5.387 -10.822 -0.727 1.00 0.00 H new ATOM 0 HA LEU A 111 5.769 -11.244 -3.570 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.794 -9.088 -1.690 1.00 0.00 H new ATOM 0 HB3 LEU A 111 6.890 -9.052 -3.439 1.00 0.00 H new ATOM 0 HG LEU A 111 4.243 -9.306 -3.243 1.00 0.00 H new ATOM 0 HD11 LEU A 111 3.362 -8.004 -1.345 1.00 0.00 H new ATOM 0 HD12 LEU A 111 4.182 -9.489 -0.808 1.00 0.00 H new ATOM 0 HD13 LEU A 111 4.999 -7.916 -0.652 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.098 -6.844 -3.382 1.00 0.00 H new ATOM 0 HD22 LEU A 111 5.770 -6.720 -2.786 1.00 0.00 H new ATOM 0 HD23 LEU A 111 5.440 -7.484 -4.359 1.00 0.00 H new