USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 788 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 3 THR OG1 : rot 180:sc= 0.0921 USER MOD Set 1.2: A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -120:sc= 0.0882 (180deg=-0.127) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0.266 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -159:sc= -0.0138 (180deg=-0.318) USER MOD Single : A 15 LYS NZ :NH3+ 160:sc= -1.13 (180deg=-2.04!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 36 THR OG1 : rot -90:sc= 0.162 USER MOD Single : A 38 GLN : amide:sc=-0.00238 X(o=-0.0024,f=-0.13) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 92:sc= 0.685 USER MOD Single : A 45 LYS NZ :NH3+ -108:sc= -0.858 (180deg=-2.41!) USER MOD Single : A 47 HIS : no HE2:sc= 0.0424 X(o=0.042,f=-0.21) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot -95:sc= -0.964 USER MOD Single : A 60 HIS : no HD1:sc= -7 K(o=-7,f=-9.1!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.102 K(o=-0.1,f=-0.87!) USER MOD Single : A 72 LYS NZ :NH3+ -106:sc=-0.00293 (180deg=-1.14) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.241 X(o=-0.24,f=-0.6) USER MOD Single : A 76 ASN : amide:sc= -0.111 K(o=-0.11,f=-1.3) USER MOD Single : A 85 SER OG : rot 108:sc= 0.439 USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0.0364 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.277 -7.030 16.116 1.00 0.00 N ATOM 2 CA MET A 1 1.733 -6.449 14.859 1.00 0.00 C ATOM 3 C MET A 1 2.491 -6.965 13.642 1.00 0.00 C ATOM 4 O MET A 1 3.369 -7.818 13.759 1.00 0.00 O ATOM 5 CB MET A 1 1.840 -4.926 14.943 1.00 0.00 C ATOM 6 CG MET A 1 0.841 -4.297 15.902 1.00 0.00 C ATOM 7 SD MET A 1 -0.635 -3.683 15.067 1.00 0.00 S ATOM 8 CE MET A 1 -1.506 -2.925 16.435 1.00 0.00 C ATOM 0 H1 MET A 1 1.529 -7.562 16.605 1.00 0.00 H new ATOM 0 H2 MET A 1 3.065 -7.669 15.890 1.00 0.00 H new ATOM 0 H3 MET A 1 2.617 -6.265 16.733 1.00 0.00 H new ATOM 0 HA MET A 1 0.691 -6.747 14.746 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.849 -4.658 15.256 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.692 -4.504 13.949 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.550 -5.033 16.651 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.321 -3.475 16.433 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.443 -2.498 16.078 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.716 -3.678 17.195 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.890 -2.136 16.867 1.00 0.00 H new ATOM 20 N LEU A 2 2.145 -6.442 12.470 1.00 0.00 N ATOM 21 CA LEU A 2 2.793 -6.849 11.228 1.00 0.00 C ATOM 22 C LEU A 2 3.889 -5.863 10.837 1.00 0.00 C ATOM 23 O LEU A 2 3.670 -4.652 10.819 1.00 0.00 O ATOM 24 CB LEU A 2 1.765 -6.962 10.100 1.00 0.00 C ATOM 25 CG LEU A 2 0.717 -5.847 10.065 1.00 0.00 C ATOM 26 CD1 LEU A 2 0.289 -5.563 8.633 1.00 0.00 C ATOM 27 CD2 LEU A 2 -0.485 -6.220 10.920 1.00 0.00 C ATOM 0 H LEU A 2 1.419 -5.735 12.354 1.00 0.00 H new ATOM 0 HA LEU A 2 3.249 -7.826 11.391 1.00 0.00 H new ATOM 0 HB2 LEU A 2 2.294 -6.973 9.147 1.00 0.00 H new ATOM 0 HB3 LEU A 2 1.252 -7.919 10.191 1.00 0.00 H new ATOM 0 HG LEU A 2 1.162 -4.941 10.476 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -0.456 -4.768 8.627 1.00 0.00 H new ATOM 0 HD12 LEU A 2 1.155 -5.253 8.049 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -0.139 -6.465 8.196 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -1.221 -5.416 10.884 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -0.932 -7.138 10.539 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -0.165 -6.373 11.951 1.00 0.00 H new ATOM 39 N THR A 3 5.066 -6.391 10.524 1.00 0.00 N ATOM 40 CA THR A 3 6.198 -5.558 10.133 1.00 0.00 C ATOM 41 C THR A 3 5.950 -4.906 8.777 1.00 0.00 C ATOM 42 O THR A 3 4.866 -5.030 8.205 1.00 0.00 O ATOM 43 CB THR A 3 7.480 -6.391 10.082 1.00 0.00 C ATOM 44 OG1 THR A 3 7.321 -7.605 10.796 1.00 0.00 O ATOM 45 CG2 THR A 3 8.683 -5.675 10.661 1.00 0.00 C ATOM 0 H THR A 3 5.262 -7.392 10.533 1.00 0.00 H new ATOM 0 HA THR A 3 6.313 -4.773 10.880 1.00 0.00 H new ATOM 0 HB THR A 3 7.660 -6.576 9.023 1.00 0.00 H new ATOM 0 HG1 THR A 3 8.152 -8.123 10.749 1.00 0.00 H new ATOM 0 HG21 THR A 3 9.558 -6.321 10.594 1.00 0.00 H new ATOM 0 HG22 THR A 3 8.865 -4.758 10.101 1.00 0.00 H new ATOM 0 HG23 THR A 3 8.492 -5.430 11.706 1.00 0.00 H new ATOM 53 N ILE A 4 6.963 -4.213 8.266 1.00 0.00 N ATOM 54 CA ILE A 4 6.857 -3.543 6.980 1.00 0.00 C ATOM 55 C ILE A 4 8.045 -3.885 6.086 1.00 0.00 C ATOM 56 O ILE A 4 9.184 -3.528 6.387 1.00 0.00 O ATOM 57 CB ILE A 4 6.779 -2.014 7.151 1.00 0.00 C ATOM 58 CG1 ILE A 4 5.696 -1.647 8.165 1.00 0.00 C ATOM 59 CG2 ILE A 4 6.507 -1.347 5.814 1.00 0.00 C ATOM 60 CD1 ILE A 4 6.201 -1.571 9.589 1.00 0.00 C ATOM 0 H ILE A 4 7.867 -4.102 8.726 1.00 0.00 H new ATOM 0 HA ILE A 4 5.939 -3.896 6.510 1.00 0.00 H new ATOM 0 HB ILE A 4 7.737 -1.655 7.526 1.00 0.00 H new ATOM 0 HG12 ILE A 4 5.263 -0.685 7.890 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.895 -2.384 8.111 1.00 0.00 H new ATOM 0 HG21 ILE A 4 6.454 -0.267 5.950 1.00 0.00 H new ATOM 0 HG22 ILE A 4 7.311 -1.586 5.118 1.00 0.00 H new ATOM 0 HG23 ILE A 4 5.560 -1.709 5.413 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.378 -1.306 10.253 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.607 -2.539 9.883 1.00 0.00 H new ATOM 0 HD13 ILE A 4 6.982 -0.813 9.658 1.00 0.00 H new ATOM 72 N GLU A 5 7.772 -4.577 4.985 1.00 0.00 N ATOM 73 CA GLU A 5 8.818 -4.968 4.048 1.00 0.00 C ATOM 74 C GLU A 5 8.762 -4.112 2.785 1.00 0.00 C ATOM 75 O GLU A 5 7.768 -3.436 2.526 1.00 0.00 O ATOM 76 CB GLU A 5 8.681 -6.449 3.686 1.00 0.00 C ATOM 77 CG GLU A 5 9.637 -7.353 4.447 1.00 0.00 C ATOM 78 CD GLU A 5 11.030 -7.360 3.851 1.00 0.00 C ATOM 79 OE1 GLU A 5 11.713 -6.318 3.926 1.00 0.00 O ATOM 80 OE2 GLU A 5 11.440 -8.410 3.312 1.00 0.00 O ATOM 0 H GLU A 5 6.834 -4.879 4.720 1.00 0.00 H new ATOM 0 HA GLU A 5 9.783 -4.809 4.529 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.658 -6.769 3.882 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.853 -6.570 2.617 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.692 -7.026 5.485 1.00 0.00 H new ATOM 0 HG3 GLU A 5 9.243 -8.369 4.453 1.00 0.00 H new ATOM 87 N THR A 6 9.838 -4.147 2.004 1.00 0.00 N ATOM 88 CA THR A 6 9.911 -3.374 0.771 1.00 0.00 C ATOM 89 C THR A 6 10.464 -4.221 -0.372 1.00 0.00 C ATOM 90 O THR A 6 11.241 -5.149 -0.150 1.00 0.00 O ATOM 91 CB THR A 6 10.786 -2.137 0.971 1.00 0.00 C ATOM 92 OG1 THR A 6 12.144 -2.502 1.139 1.00 0.00 O ATOM 93 CG2 THR A 6 10.382 -1.306 2.169 1.00 0.00 C ATOM 0 H THR A 6 10.670 -4.702 2.204 1.00 0.00 H new ATOM 0 HA THR A 6 8.901 -3.059 0.510 1.00 0.00 H new ATOM 0 HB THR A 6 10.648 -1.539 0.070 1.00 0.00 H new ATOM 0 HG1 THR A 6 12.687 -1.695 1.264 1.00 0.00 H new ATOM 0 HG21 THR A 6 11.043 -0.444 2.253 1.00 0.00 H new ATOM 0 HG22 THR A 6 9.354 -0.964 2.045 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.457 -1.910 3.073 1.00 0.00 H new ATOM 101 N SER A 7 10.055 -3.894 -1.594 1.00 0.00 N ATOM 102 CA SER A 7 10.508 -4.624 -2.773 1.00 0.00 C ATOM 103 C SER A 7 11.532 -3.814 -3.559 1.00 0.00 C ATOM 104 O SER A 7 12.019 -2.786 -3.087 1.00 0.00 O ATOM 105 CB SER A 7 9.319 -4.973 -3.671 1.00 0.00 C ATOM 106 OG SER A 7 9.672 -5.959 -4.626 1.00 0.00 O ATOM 0 H SER A 7 9.411 -3.129 -1.794 1.00 0.00 H new ATOM 0 HA SER A 7 10.984 -5.545 -2.436 1.00 0.00 H new ATOM 0 HB2 SER A 7 8.492 -5.334 -3.060 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.970 -4.076 -4.182 1.00 0.00 H new ATOM 0 HG SER A 7 8.895 -6.165 -5.186 1.00 0.00 H new ATOM 112 N LYS A 8 11.854 -4.281 -4.761 1.00 0.00 N ATOM 113 CA LYS A 8 12.820 -3.599 -5.615 1.00 0.00 C ATOM 114 C LYS A 8 12.165 -2.442 -6.360 1.00 0.00 C ATOM 115 O LYS A 8 12.608 -1.297 -6.262 1.00 0.00 O ATOM 116 CB LYS A 8 13.433 -4.582 -6.615 1.00 0.00 C ATOM 117 CG LYS A 8 14.124 -5.766 -5.958 1.00 0.00 C ATOM 118 CD LYS A 8 14.371 -6.888 -6.953 1.00 0.00 C ATOM 119 CE LYS A 8 13.202 -7.859 -6.998 1.00 0.00 C ATOM 120 NZ LYS A 8 13.582 -9.155 -7.624 1.00 0.00 N ATOM 0 H LYS A 8 11.460 -5.130 -5.166 1.00 0.00 H new ATOM 0 HA LYS A 8 13.610 -3.199 -4.979 1.00 0.00 H new ATOM 0 HB2 LYS A 8 12.649 -4.951 -7.277 1.00 0.00 H new ATOM 0 HB3 LYS A 8 14.153 -4.052 -7.238 1.00 0.00 H new ATOM 0 HG2 LYS A 8 15.073 -5.443 -5.529 1.00 0.00 H new ATOM 0 HG3 LYS A 8 13.512 -6.136 -5.136 1.00 0.00 H new ATOM 0 HD2 LYS A 8 14.534 -6.467 -7.945 1.00 0.00 H new ATOM 0 HD3 LYS A 8 15.280 -7.424 -6.681 1.00 0.00 H new ATOM 0 HE2 LYS A 8 12.839 -8.037 -5.986 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.380 -7.412 -7.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 12.758 -9.790 -7.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 13.905 -8.988 -8.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 14.349 -9.594 -7.076 1.00 0.00 H new ATOM 134 N LYS A 9 11.108 -2.747 -7.105 1.00 0.00 N ATOM 135 CA LYS A 9 10.390 -1.732 -7.868 1.00 0.00 C ATOM 136 C LYS A 9 9.857 -0.638 -6.948 1.00 0.00 C ATOM 137 O LYS A 9 9.740 0.521 -7.348 1.00 0.00 O ATOM 138 CB LYS A 9 9.237 -2.368 -8.647 1.00 0.00 C ATOM 139 CG LYS A 9 9.680 -3.472 -9.593 1.00 0.00 C ATOM 140 CD LYS A 9 8.533 -3.944 -10.473 1.00 0.00 C ATOM 141 CE LYS A 9 7.947 -5.253 -9.971 1.00 0.00 C ATOM 142 NZ LYS A 9 6.468 -5.303 -10.144 1.00 0.00 N ATOM 0 H LYS A 9 10.729 -3.690 -7.197 1.00 0.00 H new ATOM 0 HA LYS A 9 11.088 -1.281 -8.573 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.513 -2.774 -7.941 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.725 -1.594 -9.219 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.496 -3.111 -10.219 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.068 -4.312 -9.017 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.754 -3.182 -10.497 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.887 -4.071 -11.496 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.403 -6.085 -10.508 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.194 -5.380 -8.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.108 -6.212 -9.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.030 -4.525 -9.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.233 -5.207 -11.153 1.00 0.00 H new ATOM 156 N PHE A 10 9.537 -1.014 -5.714 1.00 0.00 N ATOM 157 CA PHE A 10 9.018 -0.066 -4.737 1.00 0.00 C ATOM 158 C PHE A 10 10.057 1.005 -4.417 1.00 0.00 C ATOM 159 O PHE A 10 9.748 2.196 -4.391 1.00 0.00 O ATOM 160 CB PHE A 10 8.609 -0.796 -3.456 1.00 0.00 C ATOM 161 CG PHE A 10 8.082 0.115 -2.384 1.00 0.00 C ATOM 162 CD1 PHE A 10 6.885 0.793 -2.558 1.00 0.00 C ATOM 163 CD2 PHE A 10 8.786 0.295 -1.204 1.00 0.00 C ATOM 164 CE1 PHE A 10 6.400 1.633 -1.574 1.00 0.00 C ATOM 165 CE2 PHE A 10 8.305 1.133 -0.216 1.00 0.00 C ATOM 166 CZ PHE A 10 7.112 1.803 -0.402 1.00 0.00 C ATOM 0 H PHE A 10 9.628 -1.969 -5.368 1.00 0.00 H new ATOM 0 HA PHE A 10 8.141 0.419 -5.166 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.847 -1.537 -3.698 1.00 0.00 H new ATOM 0 HB3 PHE A 10 9.470 -1.340 -3.067 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.326 0.663 -3.473 1.00 0.00 H new ATOM 0 HD2 PHE A 10 9.721 -0.225 -1.055 1.00 0.00 H new ATOM 0 HE1 PHE A 10 5.466 2.156 -1.721 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.861 1.264 0.700 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.736 2.460 0.368 1.00 0.00 H new ATOM 176 N ASP A 11 11.290 0.571 -4.176 1.00 0.00 N ATOM 177 CA ASP A 11 12.377 1.490 -3.859 1.00 0.00 C ATOM 178 C ASP A 11 12.583 2.501 -4.984 1.00 0.00 C ATOM 179 O ASP A 11 12.996 3.635 -4.745 1.00 0.00 O ATOM 180 CB ASP A 11 13.672 0.715 -3.612 1.00 0.00 C ATOM 181 CG ASP A 11 13.702 0.054 -2.248 1.00 0.00 C ATOM 182 OD1 ASP A 11 12.634 -0.405 -1.788 1.00 0.00 O ATOM 183 OD2 ASP A 11 14.792 -0.006 -1.640 1.00 0.00 O ATOM 0 H ASP A 11 11.561 -0.412 -4.194 1.00 0.00 H new ATOM 0 HA ASP A 11 12.107 2.032 -2.953 1.00 0.00 H new ATOM 0 HB2 ASP A 11 13.789 -0.046 -4.384 1.00 0.00 H new ATOM 0 HB3 ASP A 11 14.520 1.393 -3.702 1.00 0.00 H new ATOM 188 N LYS A 12 12.295 2.079 -6.212 1.00 0.00 N ATOM 189 CA LYS A 12 12.451 2.947 -7.375 1.00 0.00 C ATOM 190 C LYS A 12 11.216 3.821 -7.593 1.00 0.00 C ATOM 191 O LYS A 12 11.211 4.690 -8.464 1.00 0.00 O ATOM 192 CB LYS A 12 12.722 2.109 -8.626 1.00 0.00 C ATOM 193 CG LYS A 12 14.056 1.381 -8.592 1.00 0.00 C ATOM 194 CD LYS A 12 13.880 -0.122 -8.740 1.00 0.00 C ATOM 195 CE LYS A 12 14.180 -0.583 -10.157 1.00 0.00 C ATOM 196 NZ LYS A 12 13.472 0.244 -11.173 1.00 0.00 N ATOM 0 H LYS A 12 11.953 1.143 -6.427 1.00 0.00 H new ATOM 0 HA LYS A 12 13.300 3.604 -7.187 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.922 1.379 -8.745 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.694 2.758 -9.501 1.00 0.00 H new ATOM 0 HG2 LYS A 12 14.694 1.753 -9.393 1.00 0.00 H new ATOM 0 HG3 LYS A 12 14.565 1.597 -7.653 1.00 0.00 H new ATOM 0 HD2 LYS A 12 14.540 -0.637 -8.042 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.859 -0.397 -8.476 1.00 0.00 H new ATOM 0 HE2 LYS A 12 15.254 -0.534 -10.334 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.885 -1.626 -10.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.402 -0.286 -12.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.517 0.472 -10.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 14.002 1.124 -11.334 1.00 0.00 H new ATOM 210 N ASP A 13 10.169 3.586 -6.805 1.00 0.00 N ATOM 211 CA ASP A 13 8.935 4.354 -6.925 1.00 0.00 C ATOM 212 C ASP A 13 8.965 5.591 -6.029 1.00 0.00 C ATOM 213 O ASP A 13 8.668 6.699 -6.474 1.00 0.00 O ATOM 214 CB ASP A 13 7.730 3.480 -6.569 1.00 0.00 C ATOM 215 CG ASP A 13 6.945 3.051 -7.794 1.00 0.00 C ATOM 216 OD1 ASP A 13 6.118 3.853 -8.277 1.00 0.00 O ATOM 217 OD2 ASP A 13 7.156 1.916 -8.267 1.00 0.00 O ATOM 0 H ASP A 13 10.152 2.871 -6.078 1.00 0.00 H new ATOM 0 HA ASP A 13 8.845 4.685 -7.960 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.072 2.595 -6.032 1.00 0.00 H new ATOM 0 HB3 ASP A 13 7.073 4.029 -5.894 1.00 0.00 H new ATOM 222 N LEU A 14 9.317 5.389 -4.763 1.00 0.00 N ATOM 223 CA LEU A 14 9.378 6.484 -3.802 1.00 0.00 C ATOM 224 C LEU A 14 10.367 7.558 -4.246 1.00 0.00 C ATOM 225 O LEU A 14 10.124 8.752 -4.067 1.00 0.00 O ATOM 226 CB LEU A 14 9.766 5.954 -2.419 1.00 0.00 C ATOM 227 CG LEU A 14 8.847 6.389 -1.277 1.00 0.00 C ATOM 228 CD1 LEU A 14 7.478 5.743 -1.418 1.00 0.00 C ATOM 229 CD2 LEU A 14 9.467 6.037 0.068 1.00 0.00 C ATOM 0 H LEU A 14 9.564 4.477 -4.379 1.00 0.00 H new ATOM 0 HA LEU A 14 8.388 6.937 -3.748 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.783 4.865 -2.456 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.781 6.281 -2.193 1.00 0.00 H new ATOM 0 HG LEU A 14 8.723 7.471 -1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.838 6.064 -0.596 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.030 6.043 -2.366 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.583 4.658 -1.393 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.800 6.353 0.870 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.620 4.959 0.127 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.425 6.546 0.171 1.00 0.00 H new ATOM 241 N LYS A 15 11.485 7.129 -4.823 1.00 0.00 N ATOM 242 CA LYS A 15 12.512 8.057 -5.288 1.00 0.00 C ATOM 243 C LYS A 15 11.942 9.060 -6.288 1.00 0.00 C ATOM 244 O LYS A 15 12.459 10.169 -6.430 1.00 0.00 O ATOM 245 CB LYS A 15 13.673 7.289 -5.924 1.00 0.00 C ATOM 246 CG LYS A 15 13.292 6.550 -7.197 1.00 0.00 C ATOM 247 CD LYS A 15 14.420 6.580 -8.216 1.00 0.00 C ATOM 248 CE LYS A 15 15.685 5.939 -7.667 1.00 0.00 C ATOM 249 NZ LYS A 15 15.515 4.477 -7.442 1.00 0.00 N ATOM 0 H LYS A 15 11.704 6.145 -4.980 1.00 0.00 H new ATOM 0 HA LYS A 15 12.878 8.610 -4.423 1.00 0.00 H new ATOM 0 HB2 LYS A 15 14.480 7.987 -6.147 1.00 0.00 H new ATOM 0 HB3 LYS A 15 14.062 6.572 -5.201 1.00 0.00 H new ATOM 0 HG2 LYS A 15 13.043 5.516 -6.958 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.399 7.002 -7.628 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.109 6.057 -9.120 1.00 0.00 H new ATOM 0 HD3 LYS A 15 14.628 7.612 -8.500 1.00 0.00 H new ATOM 0 HE2 LYS A 15 16.508 6.106 -8.362 1.00 0.00 H new ATOM 0 HE3 LYS A 15 15.958 6.421 -6.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 16.449 4.021 -7.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 15.012 4.320 -6.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 14.965 4.067 -8.224 1.00 0.00 H new ATOM 263 N ILE A 16 10.880 8.665 -6.981 1.00 0.00 N ATOM 264 CA ILE A 16 10.248 9.533 -7.969 1.00 0.00 C ATOM 265 C ILE A 16 9.237 10.473 -7.318 1.00 0.00 C ATOM 266 O ILE A 16 8.993 11.573 -7.812 1.00 0.00 O ATOM 267 CB ILE A 16 9.537 8.714 -9.062 1.00 0.00 C ATOM 268 CG1 ILE A 16 10.473 7.637 -9.612 1.00 0.00 C ATOM 269 CG2 ILE A 16 9.054 9.625 -10.179 1.00 0.00 C ATOM 270 CD1 ILE A 16 11.703 8.198 -10.291 1.00 0.00 C ATOM 0 H ILE A 16 10.439 7.751 -6.878 1.00 0.00 H new ATOM 0 HA ILE A 16 11.045 10.122 -8.423 1.00 0.00 H new ATOM 0 HB ILE A 16 8.669 8.224 -8.621 1.00 0.00 H new ATOM 0 HG12 ILE A 16 10.784 6.985 -8.796 1.00 0.00 H new ATOM 0 HG13 ILE A 16 9.925 7.019 -10.323 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.554 9.030 -10.943 1.00 0.00 H new ATOM 0 HG22 ILE A 16 8.356 10.358 -9.775 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.906 10.142 -10.621 1.00 0.00 H new ATOM 0 HD11 ILE A 16 12.322 7.379 -10.657 1.00 0.00 H new ATOM 0 HD12 ILE A 16 11.401 8.827 -11.128 1.00 0.00 H new ATOM 0 HD13 ILE A 16 12.273 8.793 -9.577 1.00 0.00 H new ATOM 282 N LEU A 17 8.652 10.032 -6.209 1.00 0.00 N ATOM 283 CA LEU A 17 7.665 10.836 -5.496 1.00 0.00 C ATOM 284 C LEU A 17 8.338 11.788 -4.512 1.00 0.00 C ATOM 285 O LEU A 17 7.846 12.890 -4.268 1.00 0.00 O ATOM 286 CB LEU A 17 6.680 9.929 -4.756 1.00 0.00 C ATOM 287 CG LEU A 17 5.709 9.159 -5.654 1.00 0.00 C ATOM 288 CD1 LEU A 17 5.379 7.806 -5.043 1.00 0.00 C ATOM 289 CD2 LEU A 17 4.441 9.966 -5.881 1.00 0.00 C ATOM 0 H LEU A 17 8.844 9.124 -5.785 1.00 0.00 H new ATOM 0 HA LEU A 17 7.122 11.432 -6.230 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.246 9.213 -4.160 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.103 10.537 -4.059 1.00 0.00 H new ATOM 0 HG LEU A 17 6.188 8.993 -6.619 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.687 7.272 -5.694 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.294 7.225 -4.930 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.919 7.951 -4.066 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.762 9.404 -6.522 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.958 10.162 -4.924 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.693 10.912 -6.361 1.00 0.00 H new ATOM 301 N VAL A 18 9.463 11.358 -3.952 1.00 0.00 N ATOM 302 CA VAL A 18 10.197 12.176 -2.994 1.00 0.00 C ATOM 303 C VAL A 18 10.730 13.446 -3.652 1.00 0.00 C ATOM 304 O VAL A 18 10.847 14.489 -3.009 1.00 0.00 O ATOM 305 CB VAL A 18 11.372 11.396 -2.371 1.00 0.00 C ATOM 306 CG1 VAL A 18 12.373 10.986 -3.441 1.00 0.00 C ATOM 307 CG2 VAL A 18 12.049 12.221 -1.287 1.00 0.00 C ATOM 0 H VAL A 18 9.886 10.450 -4.144 1.00 0.00 H new ATOM 0 HA VAL A 18 9.496 12.447 -2.205 1.00 0.00 H new ATOM 0 HB VAL A 18 10.976 10.490 -1.912 1.00 0.00 H new ATOM 0 HG11 VAL A 18 13.194 10.437 -2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 18 11.880 10.351 -4.177 1.00 0.00 H new ATOM 0 HG13 VAL A 18 12.764 11.876 -3.934 1.00 0.00 H new ATOM 0 HG21 VAL A 18 12.875 11.653 -0.860 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.430 13.147 -1.719 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.327 12.456 -0.504 1.00 0.00 H new ATOM 317 N LYS A 19 11.051 13.349 -4.938 1.00 0.00 N ATOM 318 CA LYS A 19 11.570 14.492 -5.683 1.00 0.00 C ATOM 319 C LYS A 19 10.445 15.445 -6.072 1.00 0.00 C ATOM 320 O LYS A 19 10.603 16.665 -6.010 1.00 0.00 O ATOM 321 CB LYS A 19 12.307 14.017 -6.939 1.00 0.00 C ATOM 322 CG LYS A 19 12.992 15.138 -7.702 1.00 0.00 C ATOM 323 CD LYS A 19 14.494 15.145 -7.458 1.00 0.00 C ATOM 324 CE LYS A 19 15.257 14.609 -8.659 1.00 0.00 C ATOM 325 NZ LYS A 19 15.857 15.704 -9.470 1.00 0.00 N ATOM 0 H LYS A 19 10.961 12.493 -5.486 1.00 0.00 H new ATOM 0 HA LYS A 19 12.268 15.026 -5.039 1.00 0.00 H new ATOM 0 HB2 LYS A 19 13.052 13.274 -6.654 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.598 13.519 -7.600 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.797 15.026 -8.768 1.00 0.00 H new ATOM 0 HG3 LYS A 19 12.569 16.096 -7.400 1.00 0.00 H new ATOM 0 HD2 LYS A 19 14.823 16.161 -7.240 1.00 0.00 H new ATOM 0 HD3 LYS A 19 14.724 14.541 -6.581 1.00 0.00 H new ATOM 0 HE2 LYS A 19 16.044 13.937 -8.318 1.00 0.00 H new ATOM 0 HE3 LYS A 19 14.584 14.021 -9.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 16.368 15.297 -10.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 15.104 16.332 -9.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 16.519 16.249 -8.881 1.00 0.00 H new ATOM 339 N ASN A 20 9.310 14.881 -6.472 1.00 0.00 N ATOM 340 CA ASN A 20 8.157 15.681 -6.871 1.00 0.00 C ATOM 341 C ASN A 20 7.424 16.228 -5.650 1.00 0.00 C ATOM 342 O ASN A 20 6.961 17.368 -5.652 1.00 0.00 O ATOM 343 CB ASN A 20 7.203 14.845 -7.725 1.00 0.00 C ATOM 344 CG ASN A 20 7.390 15.088 -9.208 1.00 0.00 C ATOM 345 OD1 ASN A 20 6.845 16.040 -9.768 1.00 0.00 O ATOM 346 ND2 ASN A 20 8.166 14.227 -9.857 1.00 0.00 N ATOM 0 H ASN A 20 9.164 13.873 -6.529 1.00 0.00 H new ATOM 0 HA ASN A 20 8.517 16.524 -7.461 1.00 0.00 H new ATOM 0 HB2 ASN A 20 7.360 13.788 -7.510 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.175 15.077 -7.449 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.329 14.341 -10.857 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.599 13.452 -9.355 1.00 0.00 H new ATOM 353 N GLY A 21 7.324 15.407 -4.608 1.00 0.00 N ATOM 354 CA GLY A 21 6.645 15.828 -3.397 1.00 0.00 C ATOM 355 C GLY A 21 6.144 14.656 -2.576 1.00 0.00 C ATOM 356 O GLY A 21 5.012 14.206 -2.752 1.00 0.00 O ATOM 0 H GLY A 21 7.701 14.459 -4.582 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.326 16.427 -2.792 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.804 16.469 -3.660 1.00 0.00 H new ATOM 360 N PHE A 22 6.988 14.162 -1.674 1.00 0.00 N ATOM 361 CA PHE A 22 6.624 13.036 -0.823 1.00 0.00 C ATOM 362 C PHE A 22 7.424 13.055 0.475 1.00 0.00 C ATOM 363 O PHE A 22 8.394 13.801 0.607 1.00 0.00 O ATOM 364 CB PHE A 22 6.854 11.716 -1.560 1.00 0.00 C ATOM 365 CG PHE A 22 6.097 10.561 -0.971 1.00 0.00 C ATOM 366 CD1 PHE A 22 4.714 10.506 -1.054 1.00 0.00 C ATOM 367 CD2 PHE A 22 6.767 9.528 -0.334 1.00 0.00 C ATOM 368 CE1 PHE A 22 4.015 9.444 -0.512 1.00 0.00 C ATOM 369 CE2 PHE A 22 6.073 8.463 0.209 1.00 0.00 C ATOM 370 CZ PHE A 22 4.695 8.421 0.120 1.00 0.00 C ATOM 0 H PHE A 22 7.928 14.525 -1.515 1.00 0.00 H new ATOM 0 HA PHE A 22 5.566 13.126 -0.577 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.563 11.836 -2.604 1.00 0.00 H new ATOM 0 HB3 PHE A 22 7.919 11.485 -1.551 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.177 11.302 -1.548 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.844 9.556 -0.261 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.938 9.414 -0.583 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.607 7.665 0.702 1.00 0.00 H new ATOM 0 HZ PHE A 22 4.150 7.590 0.544 1.00 0.00 H new ATOM 380 N ASP A 23 7.011 12.228 1.431 1.00 0.00 N ATOM 381 CA ASP A 23 7.690 12.149 2.720 1.00 0.00 C ATOM 382 C ASP A 23 8.176 10.730 2.994 1.00 0.00 C ATOM 383 O ASP A 23 7.631 9.763 2.459 1.00 0.00 O ATOM 384 CB ASP A 23 6.752 12.605 3.840 1.00 0.00 C ATOM 385 CG ASP A 23 6.894 14.083 4.147 1.00 0.00 C ATOM 386 OD1 ASP A 23 7.949 14.481 4.683 1.00 0.00 O ATOM 387 OD2 ASP A 23 5.949 14.845 3.850 1.00 0.00 O ATOM 0 H ASP A 23 6.210 11.604 1.337 1.00 0.00 H new ATOM 0 HA ASP A 23 8.557 12.809 2.688 1.00 0.00 H new ATOM 0 HB2 ASP A 23 5.721 12.393 3.556 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.959 12.028 4.741 1.00 0.00 H new ATOM 392 N LEU A 24 9.204 10.613 3.828 1.00 0.00 N ATOM 393 CA LEU A 24 9.763 9.311 4.172 1.00 0.00 C ATOM 394 C LEU A 24 8.972 8.658 5.301 1.00 0.00 C ATOM 395 O LEU A 24 8.559 7.504 5.196 1.00 0.00 O ATOM 396 CB LEU A 24 11.231 9.454 4.578 1.00 0.00 C ATOM 397 CG LEU A 24 12.200 9.723 3.425 1.00 0.00 C ATOM 398 CD1 LEU A 24 12.226 11.205 3.085 1.00 0.00 C ATOM 399 CD2 LEU A 24 13.596 9.230 3.775 1.00 0.00 C ATOM 0 H LEU A 24 9.666 11.403 4.278 1.00 0.00 H new ATOM 0 HA LEU A 24 9.697 8.672 3.291 1.00 0.00 H new ATOM 0 HB2 LEU A 24 11.315 10.267 5.300 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.541 8.542 5.088 1.00 0.00 H new ATOM 0 HG LEU A 24 11.853 9.176 2.549 1.00 0.00 H new ATOM 0 HD11 LEU A 24 12.921 11.378 2.263 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.228 11.528 2.790 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.549 11.773 3.958 1.00 0.00 H new ATOM 0 HD21 LEU A 24 14.272 9.430 2.943 1.00 0.00 H new ATOM 0 HD22 LEU A 24 13.953 9.749 4.665 1.00 0.00 H new ATOM 0 HD23 LEU A 24 13.565 8.158 3.968 1.00 0.00 H new ATOM 411 N LYS A 25 8.764 9.405 6.379 1.00 0.00 N ATOM 412 CA LYS A 25 8.021 8.901 7.529 1.00 0.00 C ATOM 413 C LYS A 25 6.565 8.625 7.165 1.00 0.00 C ATOM 414 O LYS A 25 5.880 7.859 7.845 1.00 0.00 O ATOM 415 CB LYS A 25 8.088 9.901 8.685 1.00 0.00 C ATOM 416 CG LYS A 25 7.648 9.320 10.018 1.00 0.00 C ATOM 417 CD LYS A 25 7.168 10.406 10.968 1.00 0.00 C ATOM 418 CE LYS A 25 8.330 11.082 11.678 1.00 0.00 C ATOM 419 NZ LYS A 25 8.390 10.717 13.120 1.00 0.00 N ATOM 0 H LYS A 25 9.100 10.363 6.481 1.00 0.00 H new ATOM 0 HA LYS A 25 8.481 7.963 7.840 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.110 10.268 8.778 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.461 10.760 8.448 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.848 8.598 9.855 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.478 8.779 10.472 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.598 11.150 10.412 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.493 9.973 11.706 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.265 10.800 11.193 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.234 12.163 11.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.196 11.199 13.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.509 11.009 13.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.507 9.688 13.213 1.00 0.00 H new ATOM 433 N LEU A 26 6.093 9.253 6.090 1.00 0.00 N ATOM 434 CA LEU A 26 4.716 9.073 5.638 1.00 0.00 C ATOM 435 C LEU A 26 4.383 7.593 5.468 1.00 0.00 C ATOM 436 O LEU A 26 3.308 7.140 5.860 1.00 0.00 O ATOM 437 CB LEU A 26 4.491 9.815 4.318 1.00 0.00 C ATOM 438 CG LEU A 26 3.029 9.930 3.874 1.00 0.00 C ATOM 439 CD1 LEU A 26 2.516 8.590 3.373 1.00 0.00 C ATOM 440 CD2 LEU A 26 2.163 10.443 5.015 1.00 0.00 C ATOM 0 H LEU A 26 6.644 9.891 5.516 1.00 0.00 H new ATOM 0 HA LEU A 26 4.054 9.487 6.399 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.906 10.819 4.409 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.053 9.307 3.534 1.00 0.00 H new ATOM 0 HG LEU A 26 2.974 10.646 3.054 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.476 8.692 3.062 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.118 8.264 2.525 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.585 7.852 4.172 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.128 10.518 4.681 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.223 9.753 5.856 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.516 11.426 5.326 1.00 0.00 H new ATOM 452 N LEU A 27 5.312 6.846 4.880 1.00 0.00 N ATOM 453 CA LEU A 27 5.115 5.419 4.659 1.00 0.00 C ATOM 454 C LEU A 27 5.006 4.674 5.985 1.00 0.00 C ATOM 455 O LEU A 27 4.038 3.953 6.226 1.00 0.00 O ATOM 456 CB LEU A 27 6.264 4.846 3.827 1.00 0.00 C ATOM 457 CG LEU A 27 5.934 3.566 3.060 1.00 0.00 C ATOM 458 CD1 LEU A 27 5.237 3.893 1.750 1.00 0.00 C ATOM 459 CD2 LEU A 27 7.199 2.758 2.806 1.00 0.00 C ATOM 0 H LEU A 27 6.207 7.205 4.549 1.00 0.00 H new ATOM 0 HA LEU A 27 4.182 5.286 4.112 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.589 5.604 3.115 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.107 4.647 4.489 1.00 0.00 H new ATOM 0 HG LEU A 27 5.257 2.965 3.667 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.010 2.969 1.218 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.311 4.431 1.955 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.889 4.514 1.136 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.947 1.850 2.259 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.899 3.353 2.219 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.658 2.492 3.758 1.00 0.00 H new ATOM 471 N TYR A 28 6.002 4.853 6.844 1.00 0.00 N ATOM 472 CA TYR A 28 6.010 4.197 8.147 1.00 0.00 C ATOM 473 C TYR A 28 4.833 4.663 9.000 1.00 0.00 C ATOM 474 O TYR A 28 4.465 4.006 9.975 1.00 0.00 O ATOM 475 CB TYR A 28 7.327 4.481 8.876 1.00 0.00 C ATOM 476 CG TYR A 28 8.423 3.491 8.551 1.00 0.00 C ATOM 477 CD1 TYR A 28 8.441 2.231 9.135 1.00 0.00 C ATOM 478 CD2 TYR A 28 9.438 3.815 7.659 1.00 0.00 C ATOM 479 CE1 TYR A 28 9.440 1.323 8.840 1.00 0.00 C ATOM 480 CE2 TYR A 28 10.440 2.913 7.360 1.00 0.00 C ATOM 481 CZ TYR A 28 10.437 1.668 7.953 1.00 0.00 C ATOM 482 OH TYR A 28 11.433 0.766 7.656 1.00 0.00 O ATOM 0 H TYR A 28 6.813 5.445 6.663 1.00 0.00 H new ATOM 0 HA TYR A 28 5.915 3.123 7.985 1.00 0.00 H new ATOM 0 HB2 TYR A 28 7.667 5.484 8.618 1.00 0.00 H new ATOM 0 HB3 TYR A 28 7.147 4.472 9.951 1.00 0.00 H new ATOM 0 HD1 TYR A 28 7.662 1.957 9.831 1.00 0.00 H new ATOM 0 HD2 TYR A 28 9.443 4.789 7.192 1.00 0.00 H new ATOM 0 HE1 TYR A 28 9.440 0.347 9.303 1.00 0.00 H new ATOM 0 HE2 TYR A 28 11.222 3.181 6.665 1.00 0.00 H new ATOM 0 HH TYR A 28 12.056 1.166 7.013 1.00 0.00 H new ATOM 492 N LYS A 29 4.244 5.798 8.630 1.00 0.00 N ATOM 493 CA LYS A 29 3.111 6.348 9.365 1.00 0.00 C ATOM 494 C LYS A 29 1.788 5.823 8.813 1.00 0.00 C ATOM 495 O LYS A 29 0.848 5.575 9.566 1.00 0.00 O ATOM 496 CB LYS A 29 3.133 7.876 9.303 1.00 0.00 C ATOM 497 CG LYS A 29 2.144 8.539 10.251 1.00 0.00 C ATOM 498 CD LYS A 29 0.991 9.181 9.497 1.00 0.00 C ATOM 499 CE LYS A 29 -0.156 9.538 10.429 1.00 0.00 C ATOM 500 NZ LYS A 29 0.209 10.640 11.363 1.00 0.00 N ATOM 0 H LYS A 29 4.534 6.354 7.825 1.00 0.00 H new ATOM 0 HA LYS A 29 3.197 6.029 10.404 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.138 8.226 9.537 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.914 8.193 8.283 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.755 7.798 10.949 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.658 9.296 10.844 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.342 10.080 8.990 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.635 8.498 8.725 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.024 9.834 9.840 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.445 8.657 11.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.600 10.853 11.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.021 10.348 11.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.461 11.489 10.817 1.00 0.00 H new ATOM 514 N VAL A 30 1.719 5.659 7.494 1.00 0.00 N ATOM 515 CA VAL A 30 0.503 5.167 6.853 1.00 0.00 C ATOM 516 C VAL A 30 0.282 3.682 7.139 1.00 0.00 C ATOM 517 O VAL A 30 -0.835 3.180 7.028 1.00 0.00 O ATOM 518 CB VAL A 30 0.530 5.399 5.326 1.00 0.00 C ATOM 519 CG1 VAL A 30 1.531 4.474 4.645 1.00 0.00 C ATOM 520 CG2 VAL A 30 -0.862 5.219 4.739 1.00 0.00 C ATOM 0 H VAL A 30 2.486 5.858 6.852 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.325 5.735 7.278 1.00 0.00 H new ATOM 0 HB VAL A 30 0.852 6.424 5.144 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.527 4.661 3.571 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.529 4.662 5.042 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.255 3.437 4.834 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.827 5.386 3.662 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.213 4.206 4.938 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.545 5.936 5.195 1.00 0.00 H new ATOM 530 N VAL A 31 1.356 2.985 7.508 1.00 0.00 N ATOM 531 CA VAL A 31 1.278 1.558 7.808 1.00 0.00 C ATOM 532 C VAL A 31 0.134 1.254 8.772 1.00 0.00 C ATOM 533 O VAL A 31 -0.577 0.263 8.613 1.00 0.00 O ATOM 534 CB VAL A 31 2.599 1.041 8.413 1.00 0.00 C ATOM 535 CG1 VAL A 31 2.894 1.732 9.737 1.00 0.00 C ATOM 536 CG2 VAL A 31 2.554 -0.471 8.589 1.00 0.00 C ATOM 0 H VAL A 31 2.289 3.386 7.606 1.00 0.00 H new ATOM 0 HA VAL A 31 1.093 1.047 6.863 1.00 0.00 H new ATOM 0 HB VAL A 31 3.407 1.279 7.721 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.830 1.352 10.145 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.979 2.807 9.576 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.085 1.533 10.439 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.495 -0.816 9.017 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.734 -0.735 9.256 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.401 -0.946 7.620 1.00 0.00 H new ATOM 546 N GLY A 32 -0.040 2.118 9.767 1.00 0.00 N ATOM 547 CA GLY A 32 -1.101 1.924 10.739 1.00 0.00 C ATOM 548 C GLY A 32 -2.474 1.908 10.098 1.00 0.00 C ATOM 549 O GLY A 32 -3.396 1.266 10.605 1.00 0.00 O ATOM 0 H GLY A 32 0.534 2.948 9.918 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.939 0.985 11.268 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.059 2.720 11.483 1.00 0.00 H new ATOM 553 N ASN A 33 -2.611 2.613 8.980 1.00 0.00 N ATOM 554 CA ASN A 33 -3.879 2.678 8.266 1.00 0.00 C ATOM 555 C ASN A 33 -3.985 1.560 7.231 1.00 0.00 C ATOM 556 O ASN A 33 -5.083 1.180 6.824 1.00 0.00 O ATOM 557 CB ASN A 33 -4.035 4.037 7.582 1.00 0.00 C ATOM 558 CG ASN A 33 -4.176 5.173 8.578 1.00 0.00 C ATOM 559 OD1 ASN A 33 -4.816 5.025 9.619 1.00 0.00 O ATOM 560 ND2 ASN A 33 -3.575 6.314 8.261 1.00 0.00 N ATOM 0 H ASN A 33 -1.857 3.148 8.549 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.680 2.550 8.994 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -3.170 4.221 6.945 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -4.910 4.016 6.933 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -3.633 7.113 8.892 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -3.055 6.391 7.387 1.00 0.00 H new ATOM 567 N LEU A 34 -2.838 1.037 6.806 1.00 0.00 N ATOM 568 CA LEU A 34 -2.807 -0.035 5.818 1.00 0.00 C ATOM 569 C LEU A 34 -3.227 -1.362 6.443 1.00 0.00 C ATOM 570 O LEU A 34 -3.878 -2.183 5.797 1.00 0.00 O ATOM 571 CB LEU A 34 -1.404 -0.165 5.219 1.00 0.00 C ATOM 572 CG LEU A 34 -0.885 1.084 4.505 1.00 0.00 C ATOM 573 CD1 LEU A 34 0.555 0.883 4.059 1.00 0.00 C ATOM 574 CD2 LEU A 34 -1.772 1.425 3.317 1.00 0.00 C ATOM 0 H LEU A 34 -1.919 1.338 7.131 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.513 0.215 5.026 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.708 -0.424 6.017 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.403 -0.995 4.513 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.913 1.919 5.205 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.908 1.782 3.553 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.181 0.687 4.929 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.609 0.036 3.375 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.388 2.316 2.820 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.776 0.591 2.615 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.788 1.612 3.664 1.00 0.00 H new ATOM 586 N ALA A 35 -2.847 -1.566 7.699 1.00 0.00 N ATOM 587 CA ALA A 35 -3.181 -2.793 8.411 1.00 0.00 C ATOM 588 C ALA A 35 -4.654 -2.819 8.809 1.00 0.00 C ATOM 589 O ALA A 35 -5.268 -3.884 8.879 1.00 0.00 O ATOM 590 CB ALA A 35 -2.298 -2.946 9.640 1.00 0.00 C ATOM 0 H ALA A 35 -2.306 -0.896 8.246 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.001 -3.632 7.739 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.558 -3.867 10.163 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.252 -2.985 9.334 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.450 -2.096 10.305 1.00 0.00 H new ATOM 596 N THR A 36 -5.214 -1.643 9.070 1.00 0.00 N ATOM 597 CA THR A 36 -6.615 -1.536 9.464 1.00 0.00 C ATOM 598 C THR A 36 -7.502 -1.262 8.254 1.00 0.00 C ATOM 599 O THR A 36 -8.638 -1.732 8.186 1.00 0.00 O ATOM 600 CB THR A 36 -6.790 -0.425 10.500 1.00 0.00 C ATOM 601 OG1 THR A 36 -6.317 0.811 9.996 1.00 0.00 O ATOM 602 CG2 THR A 36 -6.063 -0.698 11.799 1.00 0.00 C ATOM 0 H THR A 36 -4.721 -0.752 9.016 1.00 0.00 H new ATOM 0 HA THR A 36 -6.916 -2.486 9.904 1.00 0.00 H new ATOM 0 HB THR A 36 -7.860 -0.386 10.702 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.368 0.914 10.219 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.229 0.129 12.489 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.440 -1.620 12.240 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.995 -0.799 11.604 1.00 0.00 H new ATOM 610 N GLU A 37 -6.977 -0.499 7.302 1.00 0.00 N ATOM 611 CA GLU A 37 -7.723 -0.161 6.093 1.00 0.00 C ATOM 612 C GLU A 37 -9.003 0.593 6.441 1.00 0.00 C ATOM 613 O GLU A 37 -10.108 0.121 6.171 1.00 0.00 O ATOM 614 CB GLU A 37 -8.057 -1.429 5.306 1.00 0.00 C ATOM 615 CG GLU A 37 -6.864 -2.346 5.093 1.00 0.00 C ATOM 616 CD GLU A 37 -7.236 -3.814 5.181 1.00 0.00 C ATOM 617 OE1 GLU A 37 -8.134 -4.152 5.979 1.00 0.00 O ATOM 618 OE2 GLU A 37 -6.628 -4.626 4.451 1.00 0.00 O ATOM 0 H GLU A 37 -6.038 -0.102 7.343 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.099 0.485 5.475 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.837 -1.978 5.833 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.466 -1.147 4.336 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.424 -2.144 4.116 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.101 -2.123 5.838 1.00 0.00 H new ATOM 625 N GLN A 38 -8.847 1.764 7.050 1.00 0.00 N ATOM 626 CA GLN A 38 -9.993 2.580 7.445 1.00 0.00 C ATOM 627 C GLN A 38 -10.310 3.658 6.406 1.00 0.00 C ATOM 628 O GLN A 38 -11.456 3.791 5.975 1.00 0.00 O ATOM 629 CB GLN A 38 -9.746 3.234 8.812 1.00 0.00 C ATOM 630 CG GLN A 38 -8.660 2.559 9.636 1.00 0.00 C ATOM 631 CD GLN A 38 -8.695 2.967 11.094 1.00 0.00 C ATOM 632 OE1 GLN A 38 -8.727 2.121 11.989 1.00 0.00 O ATOM 633 NE2 GLN A 38 -8.691 4.272 11.344 1.00 0.00 N ATOM 0 H GLN A 38 -7.940 2.170 7.281 1.00 0.00 H new ATOM 0 HA GLN A 38 -10.853 1.914 7.514 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -9.475 4.279 8.659 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -10.676 3.226 9.380 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -8.773 1.477 9.563 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -7.685 2.807 9.217 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -8.664 4.939 10.573 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -8.715 4.607 12.307 1.00 0.00 H new ATOM 642 N PRO A 39 -9.307 4.461 5.999 1.00 0.00 N ATOM 643 CA PRO A 39 -9.510 5.535 5.028 1.00 0.00 C ATOM 644 C PRO A 39 -9.534 5.045 3.577 1.00 0.00 C ATOM 645 O PRO A 39 -10.606 4.875 2.995 1.00 0.00 O ATOM 646 CB PRO A 39 -8.322 6.465 5.275 1.00 0.00 C ATOM 647 CG PRO A 39 -7.248 5.608 5.863 1.00 0.00 C ATOM 648 CD PRO A 39 -7.910 4.395 6.469 1.00 0.00 C ATOM 0 HA PRO A 39 -10.480 6.016 5.159 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -7.988 6.928 4.346 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -8.593 7.273 5.954 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -6.533 5.310 5.096 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.691 6.159 6.621 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -7.425 3.475 6.144 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.856 4.416 7.557 1.00 0.00 H new ATOM 656 N LEU A 40 -8.357 4.831 2.993 1.00 0.00 N ATOM 657 CA LEU A 40 -8.253 4.373 1.609 1.00 0.00 C ATOM 658 C LEU A 40 -9.169 5.175 0.685 1.00 0.00 C ATOM 659 O LEU A 40 -9.614 4.673 -0.347 1.00 0.00 O ATOM 660 CB LEU A 40 -8.590 2.885 1.514 1.00 0.00 C ATOM 661 CG LEU A 40 -7.697 1.960 2.345 1.00 0.00 C ATOM 662 CD1 LEU A 40 -6.235 2.362 2.224 1.00 0.00 C ATOM 663 CD2 LEU A 40 -8.137 1.960 3.802 1.00 0.00 C ATOM 0 H LEU A 40 -7.460 4.968 3.458 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.224 4.529 1.285 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.624 2.742 1.827 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.528 2.581 0.469 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.800 0.948 1.955 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.622 1.689 2.824 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.926 2.301 1.180 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.108 3.384 2.581 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.491 1.297 4.377 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.068 2.971 4.203 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.168 1.612 3.871 1.00 0.00 H new ATOM 675 N ALA A 41 -9.439 6.424 1.060 1.00 0.00 N ATOM 676 CA ALA A 41 -10.297 7.293 0.263 1.00 0.00 C ATOM 677 C ALA A 41 -11.695 6.693 0.100 1.00 0.00 C ATOM 678 O ALA A 41 -11.854 5.623 -0.484 1.00 0.00 O ATOM 679 CB ALA A 41 -9.666 7.550 -1.097 1.00 0.00 C ATOM 0 H ALA A 41 -9.076 6.855 1.910 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.401 8.242 0.789 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.316 8.200 -1.683 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.697 8.031 -0.963 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.532 6.603 -1.621 1.00 0.00 H new ATOM 685 N PRO A 42 -12.733 7.376 0.617 1.00 0.00 N ATOM 686 CA PRO A 42 -14.118 6.897 0.521 1.00 0.00 C ATOM 687 C PRO A 42 -14.527 6.570 -0.912 1.00 0.00 C ATOM 688 O PRO A 42 -15.191 5.565 -1.164 1.00 0.00 O ATOM 689 CB PRO A 42 -14.941 8.072 1.055 1.00 0.00 C ATOM 690 CG PRO A 42 -14.008 8.815 1.944 1.00 0.00 C ATOM 691 CD PRO A 42 -12.645 8.664 1.332 1.00 0.00 C ATOM 0 HA PRO A 42 -14.263 5.969 1.075 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -15.302 8.704 0.243 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -15.817 7.725 1.602 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -14.290 9.866 2.015 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -14.028 8.411 2.956 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -12.416 9.486 0.653 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -11.863 8.650 2.091 1.00 0.00 H new ATOM 699 N LYS A 43 -14.130 7.427 -1.849 1.00 0.00 N ATOM 700 CA LYS A 43 -14.463 7.229 -3.256 1.00 0.00 C ATOM 701 C LYS A 43 -13.630 6.107 -3.871 1.00 0.00 C ATOM 702 O LYS A 43 -14.055 5.463 -4.830 1.00 0.00 O ATOM 703 CB LYS A 43 -14.253 8.526 -4.042 1.00 0.00 C ATOM 704 CG LYS A 43 -12.929 9.212 -3.747 1.00 0.00 C ATOM 705 CD LYS A 43 -13.133 10.564 -3.083 1.00 0.00 C ATOM 706 CE LYS A 43 -12.053 11.555 -3.490 1.00 0.00 C ATOM 707 NZ LYS A 43 -11.620 12.404 -2.348 1.00 0.00 N ATOM 0 H LYS A 43 -13.578 8.264 -1.660 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.513 6.943 -3.311 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -14.309 8.307 -5.108 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -15.067 9.214 -3.815 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.326 8.576 -3.100 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.372 9.342 -4.675 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -14.112 10.960 -3.354 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.127 10.443 -2.000 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -11.194 11.013 -3.886 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -12.427 12.190 -4.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.884 13.065 -2.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -12.434 12.940 -1.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.239 11.800 -1.592 1.00 0.00 H new ATOM 721 N TYR A 44 -12.444 5.877 -3.316 1.00 0.00 N ATOM 722 CA TYR A 44 -11.559 4.831 -3.818 1.00 0.00 C ATOM 723 C TYR A 44 -11.862 3.493 -3.152 1.00 0.00 C ATOM 724 O TYR A 44 -12.318 2.553 -3.803 1.00 0.00 O ATOM 725 CB TYR A 44 -10.096 5.208 -3.579 1.00 0.00 C ATOM 726 CG TYR A 44 -9.558 6.218 -4.567 1.00 0.00 C ATOM 727 CD1 TYR A 44 -10.280 7.362 -4.884 1.00 0.00 C ATOM 728 CD2 TYR A 44 -8.327 6.027 -5.184 1.00 0.00 C ATOM 729 CE1 TYR A 44 -9.792 8.286 -5.787 1.00 0.00 C ATOM 730 CE2 TYR A 44 -7.832 6.949 -6.088 1.00 0.00 C ATOM 731 CZ TYR A 44 -8.568 8.075 -6.386 1.00 0.00 C ATOM 732 OH TYR A 44 -8.078 8.994 -7.286 1.00 0.00 O ATOM 0 H TYR A 44 -12.074 6.399 -2.521 1.00 0.00 H new ATOM 0 HA TYR A 44 -11.732 4.733 -4.890 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -9.994 5.610 -2.571 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -9.486 4.306 -3.626 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -11.239 7.531 -4.417 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -7.748 5.145 -4.954 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -10.366 9.170 -6.023 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -6.873 6.787 -6.558 1.00 0.00 H new ATOM 0 HH TYR A 44 -7.515 9.644 -6.816 1.00 0.00 H new ATOM 742 N LYS A 45 -11.605 3.414 -1.850 1.00 0.00 N ATOM 743 CA LYS A 45 -11.847 2.191 -1.093 1.00 0.00 C ATOM 744 C LYS A 45 -10.989 1.046 -1.620 1.00 0.00 C ATOM 745 O LYS A 45 -11.122 0.636 -2.773 1.00 0.00 O ATOM 746 CB LYS A 45 -13.328 1.807 -1.158 1.00 0.00 C ATOM 747 CG LYS A 45 -14.245 2.806 -0.473 1.00 0.00 C ATOM 748 CD LYS A 45 -14.521 2.412 0.969 1.00 0.00 C ATOM 749 CE LYS A 45 -15.385 1.163 1.048 1.00 0.00 C ATOM 750 NZ LYS A 45 -14.568 -0.067 1.243 1.00 0.00 N ATOM 0 H LYS A 45 -11.229 4.184 -1.297 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.574 2.378 -0.054 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.624 1.711 -2.202 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.462 0.828 -0.697 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -13.791 3.796 -0.500 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.186 2.872 -1.020 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -13.578 2.237 1.487 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.019 3.234 1.483 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.093 1.263 1.871 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.971 1.068 0.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -14.565 -0.625 0.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -13.593 0.199 1.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -14.975 -0.636 2.013 1.00 0.00 H new ATOM 764 N ASP A 46 -10.104 0.536 -0.769 1.00 0.00 N ATOM 765 CA ASP A 46 -9.220 -0.560 -1.148 1.00 0.00 C ATOM 766 C ASP A 46 -10.019 -1.763 -1.644 1.00 0.00 C ATOM 767 O ASP A 46 -11.197 -1.914 -1.318 1.00 0.00 O ATOM 768 CB ASP A 46 -8.344 -0.971 0.038 1.00 0.00 C ATOM 769 CG ASP A 46 -9.162 -1.382 1.246 1.00 0.00 C ATOM 770 OD1 ASP A 46 -10.273 -0.839 1.423 1.00 0.00 O ATOM 771 OD2 ASP A 46 -8.692 -2.246 2.015 1.00 0.00 O ATOM 0 H ASP A 46 -9.980 0.865 0.189 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.582 -0.211 -1.960 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.700 -1.798 -0.259 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.692 -0.141 0.310 1.00 0.00 H new ATOM 776 N HIS A 47 -9.372 -2.614 -2.434 1.00 0.00 N ATOM 777 CA HIS A 47 -10.023 -3.802 -2.976 1.00 0.00 C ATOM 778 C HIS A 47 -8.991 -4.816 -3.462 1.00 0.00 C ATOM 779 O HIS A 47 -7.864 -4.454 -3.800 1.00 0.00 O ATOM 780 CB HIS A 47 -10.956 -3.416 -4.125 1.00 0.00 C ATOM 781 CG HIS A 47 -10.265 -2.687 -5.235 1.00 0.00 C ATOM 782 ND1 HIS A 47 -9.799 -3.314 -6.373 1.00 0.00 N ATOM 783 CD2 HIS A 47 -9.962 -1.375 -5.381 1.00 0.00 C ATOM 784 CE1 HIS A 47 -9.238 -2.419 -7.167 1.00 0.00 C ATOM 785 NE2 HIS A 47 -9.325 -1.236 -6.589 1.00 0.00 N ATOM 0 H HIS A 47 -8.397 -2.503 -2.713 1.00 0.00 H new ATOM 0 HA HIS A 47 -10.608 -4.261 -2.179 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -11.419 -4.318 -4.526 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -11.760 -2.791 -3.736 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -9.876 -4.312 -6.570 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -10.181 -0.585 -4.678 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -8.785 -2.621 -8.126 1.00 0.00 H new ATOM 794 N PRO A 48 -9.365 -6.107 -3.503 1.00 0.00 N ATOM 795 CA PRO A 48 -8.465 -7.175 -3.951 1.00 0.00 C ATOM 796 C PRO A 48 -8.206 -7.121 -5.453 1.00 0.00 C ATOM 797 O PRO A 48 -8.676 -6.215 -6.142 1.00 0.00 O ATOM 798 CB PRO A 48 -9.223 -8.452 -3.585 1.00 0.00 C ATOM 799 CG PRO A 48 -10.657 -8.054 -3.584 1.00 0.00 C ATOM 800 CD PRO A 48 -10.692 -6.625 -3.117 1.00 0.00 C ATOM 0 HA PRO A 48 -7.480 -7.100 -3.490 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.033 -9.246 -4.307 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -8.916 -8.829 -2.609 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -11.089 -8.149 -4.580 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -11.239 -8.695 -2.922 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -11.496 -6.066 -3.595 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -10.852 -6.558 -2.041 1.00 0.00 H new ATOM 808 N LEU A 49 -7.457 -8.098 -5.955 1.00 0.00 N ATOM 809 CA LEU A 49 -7.136 -8.163 -7.376 1.00 0.00 C ATOM 810 C LEU A 49 -7.773 -9.387 -8.024 1.00 0.00 C ATOM 811 O LEU A 49 -8.415 -9.286 -9.070 1.00 0.00 O ATOM 812 CB LEU A 49 -5.619 -8.197 -7.577 1.00 0.00 C ATOM 813 CG LEU A 49 -4.948 -6.825 -7.690 1.00 0.00 C ATOM 814 CD1 LEU A 49 -4.240 -6.467 -6.393 1.00 0.00 C ATOM 815 CD2 LEU A 49 -3.971 -6.804 -8.855 1.00 0.00 C ATOM 0 H LEU A 49 -7.061 -8.856 -5.398 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.540 -7.270 -7.854 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.170 -8.736 -6.743 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.400 -8.767 -8.480 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.721 -6.079 -7.875 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.770 -5.489 -6.493 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.964 -6.440 -5.579 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.478 -7.216 -6.176 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.504 -5.821 -8.920 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.203 -7.562 -8.699 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.505 -7.014 -9.782 1.00 0.00 H new ATOM 827 N LYS A 50 -7.592 -10.545 -7.395 1.00 0.00 N ATOM 828 CA LYS A 50 -8.152 -11.791 -7.910 1.00 0.00 C ATOM 829 C LYS A 50 -7.584 -12.111 -9.290 1.00 0.00 C ATOM 830 O LYS A 50 -6.918 -11.280 -9.907 1.00 0.00 O ATOM 831 CB LYS A 50 -9.677 -11.699 -7.978 1.00 0.00 C ATOM 832 CG LYS A 50 -10.380 -12.404 -6.828 1.00 0.00 C ATOM 833 CD LYS A 50 -11.842 -11.995 -6.736 1.00 0.00 C ATOM 834 CE LYS A 50 -12.729 -13.171 -6.362 1.00 0.00 C ATOM 835 NZ LYS A 50 -13.198 -13.088 -4.951 1.00 0.00 N ATOM 0 H LYS A 50 -7.063 -10.647 -6.529 1.00 0.00 H new ATOM 0 HA LYS A 50 -7.876 -12.596 -7.229 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.970 -10.649 -7.983 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.017 -12.129 -8.920 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -10.311 -13.483 -6.964 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.875 -12.168 -5.891 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.953 -11.204 -5.994 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.166 -11.583 -7.692 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.590 -13.202 -7.029 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -12.179 -14.101 -6.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.800 -13.909 -4.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.377 -13.084 -4.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.745 -12.213 -4.818 1.00 0.00 H new ATOM 849 N GLY A 51 -7.853 -13.321 -9.769 1.00 0.00 N ATOM 850 CA GLY A 51 -7.363 -13.729 -11.073 1.00 0.00 C ATOM 851 C GLY A 51 -6.107 -14.574 -10.980 1.00 0.00 C ATOM 852 O GLY A 51 -5.134 -14.331 -11.695 1.00 0.00 O ATOM 0 H GLY A 51 -8.402 -14.027 -9.278 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.140 -14.293 -11.590 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.158 -12.843 -11.675 1.00 0.00 H new ATOM 856 N GLY A 52 -6.127 -15.566 -10.097 1.00 0.00 N ATOM 857 CA GLY A 52 -4.975 -16.433 -9.929 1.00 0.00 C ATOM 858 C GLY A 52 -4.093 -16.008 -8.773 1.00 0.00 C ATOM 859 O GLY A 52 -3.443 -16.841 -8.140 1.00 0.00 O ATOM 0 H GLY A 52 -6.920 -15.786 -9.494 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.315 -17.456 -9.766 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.389 -16.435 -10.848 1.00 0.00 H new ATOM 863 N LEU A 53 -4.070 -14.709 -8.496 1.00 0.00 N ATOM 864 CA LEU A 53 -3.261 -14.172 -7.408 1.00 0.00 C ATOM 865 C LEU A 53 -4.142 -13.498 -6.359 1.00 0.00 C ATOM 866 O LEU A 53 -4.377 -12.292 -6.413 1.00 0.00 O ATOM 867 CB LEU A 53 -2.237 -13.171 -7.949 1.00 0.00 C ATOM 868 CG LEU A 53 -1.569 -13.574 -9.266 1.00 0.00 C ATOM 869 CD1 LEU A 53 -1.177 -12.341 -10.064 1.00 0.00 C ATOM 870 CD2 LEU A 53 -0.353 -14.447 -8.998 1.00 0.00 C ATOM 0 H LEU A 53 -4.603 -14.008 -9.010 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.733 -15.001 -6.938 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.731 -12.209 -8.089 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.462 -13.025 -7.196 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.283 -14.150 -9.855 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.704 -12.647 -10.997 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.067 -11.752 -10.285 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.479 -11.739 -9.483 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.111 -14.725 -9.944 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.364 -13.895 -8.391 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.661 -15.347 -8.467 1.00 0.00 H new ATOM 882 N LYS A 54 -4.628 -14.288 -5.407 1.00 0.00 N ATOM 883 CA LYS A 54 -5.486 -13.772 -4.346 1.00 0.00 C ATOM 884 C LYS A 54 -4.672 -13.018 -3.297 1.00 0.00 C ATOM 885 O LYS A 54 -5.196 -12.144 -2.605 1.00 0.00 O ATOM 886 CB LYS A 54 -6.260 -14.914 -3.684 1.00 0.00 C ATOM 887 CG LYS A 54 -5.366 -15.977 -3.070 1.00 0.00 C ATOM 888 CD LYS A 54 -6.059 -16.691 -1.921 1.00 0.00 C ATOM 889 CE LYS A 54 -6.841 -17.901 -2.406 1.00 0.00 C ATOM 890 NZ LYS A 54 -7.798 -18.394 -1.378 1.00 0.00 N ATOM 0 H LYS A 54 -4.442 -15.289 -5.348 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.193 -13.076 -4.797 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.906 -14.502 -2.909 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.909 -15.380 -4.426 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.084 -16.702 -3.833 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.445 -15.517 -2.712 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.317 -17.006 -1.187 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.733 -16.000 -1.416 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.386 -17.641 -3.314 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.147 -18.700 -2.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.311 -19.219 -1.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.276 -18.667 -0.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.476 -17.641 -1.146 1.00 0.00 H new ATOM 904 N ASP A 55 -3.393 -13.358 -3.182 1.00 0.00 N ATOM 905 CA ASP A 55 -2.514 -12.708 -2.215 1.00 0.00 C ATOM 906 C ASP A 55 -1.946 -11.409 -2.782 1.00 0.00 C ATOM 907 O ASP A 55 -0.731 -11.213 -2.818 1.00 0.00 O ATOM 908 CB ASP A 55 -1.375 -13.651 -1.819 1.00 0.00 C ATOM 909 CG ASP A 55 -1.796 -14.657 -0.766 1.00 0.00 C ATOM 910 OD1 ASP A 55 -1.753 -14.315 0.434 1.00 0.00 O ATOM 911 OD2 ASP A 55 -2.168 -15.789 -1.143 1.00 0.00 O ATOM 0 H ASP A 55 -2.942 -14.079 -3.745 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.101 -12.467 -1.329 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.022 -14.181 -2.703 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -0.536 -13.065 -1.443 1.00 0.00 H new ATOM 916 N PHE A 56 -2.836 -10.525 -3.224 1.00 0.00 N ATOM 917 CA PHE A 56 -2.429 -9.246 -3.792 1.00 0.00 C ATOM 918 C PHE A 56 -3.558 -8.225 -3.695 1.00 0.00 C ATOM 919 O PHE A 56 -4.662 -8.456 -4.189 1.00 0.00 O ATOM 920 CB PHE A 56 -2.009 -9.420 -5.252 1.00 0.00 C ATOM 921 CG PHE A 56 -0.664 -10.067 -5.418 1.00 0.00 C ATOM 922 CD1 PHE A 56 0.489 -9.299 -5.463 1.00 0.00 C ATOM 923 CD2 PHE A 56 -0.552 -11.443 -5.528 1.00 0.00 C ATOM 924 CE1 PHE A 56 1.728 -9.893 -5.614 1.00 0.00 C ATOM 925 CE2 PHE A 56 0.684 -12.042 -5.680 1.00 0.00 C ATOM 926 CZ PHE A 56 1.826 -11.265 -5.723 1.00 0.00 C ATOM 0 H PHE A 56 -3.845 -10.672 -3.199 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.578 -8.878 -3.219 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.758 -10.021 -5.768 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -1.995 -8.444 -5.736 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.419 -8.225 -5.379 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.441 -12.055 -5.495 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.619 -9.283 -5.647 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.757 -13.116 -5.765 1.00 0.00 H new ATOM 0 HZ PHE A 56 2.793 -11.731 -5.842 1.00 0.00 H new ATOM 936 N ARG A 57 -3.275 -7.101 -3.047 1.00 0.00 N ATOM 937 CA ARG A 57 -4.263 -6.043 -2.871 1.00 0.00 C ATOM 938 C ARG A 57 -3.605 -4.669 -2.963 1.00 0.00 C ATOM 939 O ARG A 57 -2.504 -4.460 -2.455 1.00 0.00 O ATOM 940 CB ARG A 57 -4.966 -6.189 -1.519 1.00 0.00 C ATOM 941 CG ARG A 57 -5.811 -7.448 -1.400 1.00 0.00 C ATOM 942 CD ARG A 57 -5.642 -8.106 -0.041 1.00 0.00 C ATOM 943 NE ARG A 57 -4.635 -9.164 -0.066 1.00 0.00 N ATOM 944 CZ ARG A 57 -4.372 -9.963 0.966 1.00 0.00 C ATOM 945 NH1 ARG A 57 -5.040 -9.826 2.105 1.00 0.00 N ATOM 946 NH2 ARG A 57 -3.440 -10.899 0.858 1.00 0.00 N ATOM 0 H ARG A 57 -2.365 -6.898 -2.633 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.001 -6.133 -3.668 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -4.216 -6.190 -0.728 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.602 -5.319 -1.355 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.861 -7.199 -1.557 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.530 -8.152 -2.184 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.358 -7.353 0.694 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.597 -8.522 0.282 1.00 0.00 H new ATOM 0 HE ARG A 57 -4.102 -9.299 -0.925 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -5.758 -9.107 2.192 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -4.835 -10.440 2.893 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -2.924 -11.007 -0.015 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -3.238 -11.511 1.648 1.00 0.00 H new ATOM 960 N GLU A 58 -4.290 -3.737 -3.619 1.00 0.00 N ATOM 961 CA GLU A 58 -3.774 -2.383 -3.781 1.00 0.00 C ATOM 962 C GLU A 58 -4.734 -1.358 -3.187 1.00 0.00 C ATOM 963 O GLU A 58 -5.953 -1.509 -3.277 1.00 0.00 O ATOM 964 CB GLU A 58 -3.542 -2.080 -5.263 1.00 0.00 C ATOM 965 CG GLU A 58 -2.970 -0.696 -5.521 1.00 0.00 C ATOM 966 CD GLU A 58 -3.350 -0.151 -6.884 1.00 0.00 C ATOM 967 OE1 GLU A 58 -2.842 -0.678 -7.896 1.00 0.00 O ATOM 968 OE2 GLU A 58 -4.156 0.801 -6.940 1.00 0.00 O ATOM 0 H GLU A 58 -5.203 -3.895 -4.046 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.826 -2.316 -3.248 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.863 -2.827 -5.676 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.487 -2.178 -5.797 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.323 -0.012 -4.749 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.884 -0.735 -5.440 1.00 0.00 H new ATOM 975 N CYS A 59 -4.177 -0.314 -2.584 1.00 0.00 N ATOM 976 CA CYS A 59 -4.981 0.739 -1.976 1.00 0.00 C ATOM 977 C CYS A 59 -4.493 2.114 -2.420 1.00 0.00 C ATOM 978 O CYS A 59 -3.608 2.225 -3.269 1.00 0.00 O ATOM 979 CB CYS A 59 -4.932 0.633 -0.451 1.00 0.00 C ATOM 980 SG CYS A 59 -3.290 0.905 0.256 1.00 0.00 S ATOM 0 H CYS A 59 -3.170 -0.174 -2.503 1.00 0.00 H new ATOM 0 HA CYS A 59 -6.012 0.614 -2.306 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.624 1.359 -0.025 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -5.284 -0.355 -0.155 1.00 0.00 H new ATOM 0 HG CYS A 59 -2.700 -0.239 0.435 1.00 0.00 H new ATOM 986 N HIS A 60 -5.074 3.159 -1.840 1.00 0.00 N ATOM 987 CA HIS A 60 -4.695 4.525 -2.178 1.00 0.00 C ATOM 988 C HIS A 60 -4.726 5.422 -0.944 1.00 0.00 C ATOM 989 O HIS A 60 -5.753 6.019 -0.624 1.00 0.00 O ATOM 990 CB HIS A 60 -5.629 5.085 -3.253 1.00 0.00 C ATOM 991 CG HIS A 60 -5.363 4.537 -4.621 1.00 0.00 C ATOM 992 ND1 HIS A 60 -4.799 5.282 -5.634 1.00 0.00 N ATOM 993 CD2 HIS A 60 -5.586 3.305 -5.139 1.00 0.00 C ATOM 994 CE1 HIS A 60 -4.688 4.533 -6.718 1.00 0.00 C ATOM 995 NE2 HIS A 60 -5.158 3.331 -6.444 1.00 0.00 N ATOM 0 H HIS A 60 -5.808 3.086 -1.135 1.00 0.00 H new ATOM 0 HA HIS A 60 -3.676 4.506 -2.565 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -6.660 4.866 -2.977 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -5.530 6.170 -3.280 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -6.019 2.461 -4.623 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -4.282 4.851 -7.667 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -5.197 2.548 -7.096 1.00 0.00 H new ATOM 1004 N LEU A 61 -3.592 5.511 -0.257 1.00 0.00 N ATOM 1005 CA LEU A 61 -3.487 6.335 0.941 1.00 0.00 C ATOM 1006 C LEU A 61 -3.796 7.795 0.621 1.00 0.00 C ATOM 1007 O LEU A 61 -4.477 8.478 1.387 1.00 0.00 O ATOM 1008 CB LEU A 61 -2.086 6.218 1.546 1.00 0.00 C ATOM 1009 CG LEU A 61 -0.941 6.599 0.606 1.00 0.00 C ATOM 1010 CD1 LEU A 61 -0.625 8.083 0.724 1.00 0.00 C ATOM 1011 CD2 LEU A 61 0.295 5.764 0.904 1.00 0.00 C ATOM 0 H LEU A 61 -2.733 5.023 -0.510 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.217 5.976 1.666 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.035 6.852 2.431 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.936 5.191 1.880 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.254 6.395 -0.418 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.192 8.336 0.048 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.508 8.665 0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.332 8.312 1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.099 6.049 0.225 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.611 5.936 1.933 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.062 4.708 0.767 1.00 0.00 H new ATOM 1023 N LYS A 62 -3.291 8.265 -0.515 1.00 0.00 N ATOM 1024 CA LYS A 62 -3.515 9.642 -0.938 1.00 0.00 C ATOM 1025 C LYS A 62 -4.600 9.711 -2.011 1.00 0.00 C ATOM 1026 O LYS A 62 -4.980 8.693 -2.588 1.00 0.00 O ATOM 1027 CB LYS A 62 -2.214 10.251 -1.468 1.00 0.00 C ATOM 1028 CG LYS A 62 -1.495 11.127 -0.454 1.00 0.00 C ATOM 1029 CD LYS A 62 -1.233 12.521 -1.004 1.00 0.00 C ATOM 1030 CE LYS A 62 0.045 13.112 -0.432 1.00 0.00 C ATOM 1031 NZ LYS A 62 -0.013 14.598 -0.363 1.00 0.00 N ATOM 0 H LYS A 62 -2.724 7.713 -1.159 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.849 10.214 -0.073 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.547 9.447 -1.779 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.435 10.844 -2.356 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.094 11.200 0.454 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.550 10.661 -0.176 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.161 12.477 -2.091 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.075 13.172 -0.766 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.217 12.709 0.566 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.892 12.810 -1.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.877 14.962 0.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.151 14.985 -1.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.806 14.887 0.245 1.00 0.00 H new ATOM 1045 N PRO A 63 -5.117 10.921 -2.291 1.00 0.00 N ATOM 1046 CA PRO A 63 -6.165 11.118 -3.299 1.00 0.00 C ATOM 1047 C PRO A 63 -5.663 10.881 -4.721 1.00 0.00 C ATOM 1048 O PRO A 63 -6.452 10.790 -5.660 1.00 0.00 O ATOM 1049 CB PRO A 63 -6.570 12.581 -3.112 1.00 0.00 C ATOM 1050 CG PRO A 63 -5.373 13.233 -2.512 1.00 0.00 C ATOM 1051 CD PRO A 63 -4.722 12.189 -1.648 1.00 0.00 C ATOM 0 HA PRO A 63 -6.987 10.414 -3.170 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -6.837 13.042 -4.063 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -7.438 12.671 -2.459 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.689 13.581 -3.286 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -5.658 14.105 -1.923 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.639 12.307 -1.622 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.073 12.244 -0.618 1.00 0.00 H new ATOM 1059 N ASP A 64 -4.347 10.781 -4.873 1.00 0.00 N ATOM 1060 CA ASP A 64 -3.743 10.554 -6.180 1.00 0.00 C ATOM 1061 C ASP A 64 -2.497 9.682 -6.057 1.00 0.00 C ATOM 1062 O ASP A 64 -1.444 10.002 -6.611 1.00 0.00 O ATOM 1063 CB ASP A 64 -3.386 11.890 -6.839 1.00 0.00 C ATOM 1064 CG ASP A 64 -3.775 11.934 -8.304 1.00 0.00 C ATOM 1065 OD1 ASP A 64 -3.348 11.036 -9.059 1.00 0.00 O ATOM 1066 OD2 ASP A 64 -4.506 12.868 -8.695 1.00 0.00 O ATOM 0 H ASP A 64 -3.678 10.854 -4.106 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.468 10.033 -6.805 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.887 12.699 -6.308 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.314 12.063 -6.745 1.00 0.00 H new ATOM 1071 N LEU A 65 -2.623 8.579 -5.327 1.00 0.00 N ATOM 1072 CA LEU A 65 -1.505 7.664 -5.130 1.00 0.00 C ATOM 1073 C LEU A 65 -1.995 6.263 -4.782 1.00 0.00 C ATOM 1074 O LEU A 65 -2.847 6.091 -3.910 1.00 0.00 O ATOM 1075 CB LEU A 65 -0.587 8.188 -4.021 1.00 0.00 C ATOM 1076 CG LEU A 65 0.852 8.472 -4.451 1.00 0.00 C ATOM 1077 CD1 LEU A 65 1.016 9.936 -4.833 1.00 0.00 C ATOM 1078 CD2 LEU A 65 1.823 8.096 -3.339 1.00 0.00 C ATOM 0 H LEU A 65 -3.486 8.297 -4.863 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.946 7.606 -6.064 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.017 9.105 -3.618 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.571 7.460 -3.210 1.00 0.00 H new ATOM 0 HG LEU A 65 1.078 7.863 -5.326 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.047 10.120 -5.136 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.347 10.173 -5.660 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.772 10.565 -3.977 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.843 8.304 -3.661 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.598 8.680 -2.447 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.724 7.034 -3.113 1.00 0.00 H new ATOM 1090 N LEU A 66 -1.443 5.263 -5.462 1.00 0.00 N ATOM 1091 CA LEU A 66 -1.816 3.873 -5.217 1.00 0.00 C ATOM 1092 C LEU A 66 -0.789 3.203 -4.312 1.00 0.00 C ATOM 1093 O LEU A 66 0.208 3.816 -3.931 1.00 0.00 O ATOM 1094 CB LEU A 66 -1.942 3.092 -6.534 1.00 0.00 C ATOM 1095 CG LEU A 66 -1.752 3.908 -7.816 1.00 0.00 C ATOM 1096 CD1 LEU A 66 -0.287 3.926 -8.224 1.00 0.00 C ATOM 1097 CD2 LEU A 66 -2.611 3.344 -8.938 1.00 0.00 C ATOM 0 H LEU A 66 -0.736 5.389 -6.187 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.787 3.868 -4.723 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.209 2.286 -6.527 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.927 2.627 -6.565 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.068 4.933 -7.622 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.171 4.510 -9.137 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.307 4.375 -7.428 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.054 2.906 -8.400 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.464 3.936 -9.842 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.325 2.310 -9.131 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.661 3.382 -8.647 1.00 0.00 H new ATOM 1109 N LEU A 67 -1.033 1.943 -3.972 1.00 0.00 N ATOM 1110 CA LEU A 67 -0.119 1.203 -3.112 1.00 0.00 C ATOM 1111 C LEU A 67 -0.422 -0.291 -3.133 1.00 0.00 C ATOM 1112 O LEU A 67 -1.318 -0.763 -2.437 1.00 0.00 O ATOM 1113 CB LEU A 67 -0.194 1.724 -1.675 1.00 0.00 C ATOM 1114 CG LEU A 67 0.982 1.324 -0.782 1.00 0.00 C ATOM 1115 CD1 LEU A 67 0.979 2.140 0.502 1.00 0.00 C ATOM 1116 CD2 LEU A 67 0.935 -0.165 -0.471 1.00 0.00 C ATOM 0 H LEU A 67 -1.851 1.415 -4.277 1.00 0.00 H new ATOM 0 HA LEU A 67 0.889 1.355 -3.498 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.258 2.812 -1.701 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.116 1.362 -1.220 1.00 0.00 H new ATOM 0 HG LEU A 67 1.908 1.533 -1.319 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.822 1.842 1.125 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.063 3.199 0.260 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.049 1.964 1.043 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.779 -0.431 0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.004 -0.400 0.045 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.988 -0.733 -1.400 1.00 0.00 H new ATOM 1128 N VAL A 68 0.345 -1.031 -3.926 1.00 0.00 N ATOM 1129 CA VAL A 68 0.172 -2.474 -4.026 1.00 0.00 C ATOM 1130 C VAL A 68 1.038 -3.178 -2.991 1.00 0.00 C ATOM 1131 O VAL A 68 2.194 -2.810 -2.791 1.00 0.00 O ATOM 1132 CB VAL A 68 0.537 -2.996 -5.428 1.00 0.00 C ATOM 1133 CG1 VAL A 68 0.118 -4.449 -5.583 1.00 0.00 C ATOM 1134 CG2 VAL A 68 -0.101 -2.132 -6.505 1.00 0.00 C ATOM 0 H VAL A 68 1.093 -0.654 -4.509 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.881 -2.689 -3.842 1.00 0.00 H new ATOM 0 HB VAL A 68 1.619 -2.939 -5.545 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.384 -4.800 -6.580 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.629 -5.057 -4.836 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.960 -4.534 -5.444 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.169 -2.518 -7.488 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.185 -2.152 -6.393 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.255 -1.106 -6.407 1.00 0.00 H new ATOM 1144 N TYR A 69 0.477 -4.179 -2.322 1.00 0.00 N ATOM 1145 CA TYR A 69 1.216 -4.910 -1.300 1.00 0.00 C ATOM 1146 C TYR A 69 0.695 -6.334 -1.147 1.00 0.00 C ATOM 1147 O TYR A 69 -0.353 -6.686 -1.689 1.00 0.00 O ATOM 1148 CB TYR A 69 1.125 -4.175 0.037 1.00 0.00 C ATOM 1149 CG TYR A 69 -0.290 -3.816 0.431 1.00 0.00 C ATOM 1150 CD1 TYR A 69 -0.969 -2.786 -0.206 1.00 0.00 C ATOM 1151 CD2 TYR A 69 -0.949 -4.509 1.440 1.00 0.00 C ATOM 1152 CE1 TYR A 69 -2.263 -2.454 0.149 1.00 0.00 C ATOM 1153 CE2 TYR A 69 -2.243 -4.185 1.802 1.00 0.00 C ATOM 1154 CZ TYR A 69 -2.895 -3.156 1.153 1.00 0.00 C ATOM 1155 OH TYR A 69 -4.183 -2.831 1.510 1.00 0.00 O ATOM 0 H TYR A 69 -0.480 -4.501 -2.467 1.00 0.00 H new ATOM 0 HA TYR A 69 2.258 -4.965 -1.614 1.00 0.00 H new ATOM 0 HB2 TYR A 69 1.564 -4.798 0.816 1.00 0.00 H new ATOM 0 HB3 TYR A 69 1.721 -3.264 -0.016 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -0.477 -2.234 -0.993 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.441 -5.314 1.950 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.776 -1.649 -0.357 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.741 -4.734 2.588 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.481 -3.422 2.232 1.00 0.00 H new ATOM 1165 N GLN A 70 1.434 -7.144 -0.398 1.00 0.00 N ATOM 1166 CA GLN A 70 1.053 -8.532 -0.161 1.00 0.00 C ATOM 1167 C GLN A 70 1.333 -8.928 1.285 1.00 0.00 C ATOM 1168 O GLN A 70 2.461 -8.809 1.766 1.00 0.00 O ATOM 1169 CB GLN A 70 1.813 -9.459 -1.114 1.00 0.00 C ATOM 1170 CG GLN A 70 1.472 -10.930 -0.934 1.00 0.00 C ATOM 1171 CD GLN A 70 2.566 -11.699 -0.218 1.00 0.00 C ATOM 1172 OE1 GLN A 70 3.308 -11.138 0.588 1.00 0.00 O ATOM 1173 NE2 GLN A 70 2.671 -12.989 -0.512 1.00 0.00 N ATOM 0 H GLN A 70 2.303 -6.863 0.057 1.00 0.00 H new ATOM 0 HA GLN A 70 -0.017 -8.630 -0.347 1.00 0.00 H new ATOM 0 HB2 GLN A 70 1.595 -9.167 -2.141 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.884 -9.322 -0.964 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.543 -11.017 -0.371 1.00 0.00 H new ATOM 0 HG3 GLN A 70 1.296 -11.381 -1.911 1.00 0.00 H new ATOM 0 HE21 GLN A 70 2.034 -13.412 -1.187 1.00 0.00 H new ATOM 0 HE22 GLN A 70 3.389 -13.558 -0.063 1.00 0.00 H new ATOM 1182 N ILE A 71 0.298 -9.392 1.978 1.00 0.00 N ATOM 1183 CA ILE A 71 0.431 -9.798 3.372 1.00 0.00 C ATOM 1184 C ILE A 71 0.919 -11.237 3.486 1.00 0.00 C ATOM 1185 O ILE A 71 0.650 -12.067 2.618 1.00 0.00 O ATOM 1186 CB ILE A 71 -0.906 -9.667 4.133 1.00 0.00 C ATOM 1187 CG1 ILE A 71 -1.658 -8.401 3.704 1.00 0.00 C ATOM 1188 CG2 ILE A 71 -0.659 -9.659 5.634 1.00 0.00 C ATOM 1189 CD1 ILE A 71 -0.770 -7.184 3.548 1.00 0.00 C ATOM 0 H ILE A 71 -0.642 -9.496 1.597 1.00 0.00 H new ATOM 0 HA ILE A 71 1.165 -9.128 3.820 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.527 -10.528 3.886 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.164 -8.594 2.758 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.432 -8.182 4.440 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.610 -9.566 6.159 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.172 -10.589 5.928 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.018 -8.816 5.893 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.374 -6.329 3.243 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.284 -6.964 4.498 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.012 -7.381 2.790 1.00 0.00 H new ATOM 1201 N LYS A 72 1.638 -11.524 4.566 1.00 0.00 N ATOM 1202 CA LYS A 72 2.165 -12.862 4.802 1.00 0.00 C ATOM 1203 C LYS A 72 1.922 -13.292 6.245 1.00 0.00 C ATOM 1204 O LYS A 72 2.772 -13.098 7.114 1.00 0.00 O ATOM 1205 CB LYS A 72 3.662 -12.908 4.489 1.00 0.00 C ATOM 1206 CG LYS A 72 4.437 -11.727 5.050 1.00 0.00 C ATOM 1207 CD LYS A 72 5.030 -10.865 3.945 1.00 0.00 C ATOM 1208 CE LYS A 72 6.541 -11.017 3.868 1.00 0.00 C ATOM 1209 NZ LYS A 72 7.026 -11.047 2.460 1.00 0.00 N ATOM 0 H LYS A 72 1.869 -10.846 5.292 1.00 0.00 H new ATOM 0 HA LYS A 72 1.643 -13.554 4.141 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.081 -13.831 4.891 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.798 -12.941 3.408 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.777 -11.120 5.670 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.236 -12.090 5.696 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.586 -11.142 2.989 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.777 -9.820 4.123 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.016 -10.192 4.398 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.840 -11.935 4.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.298 -12.018 2.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.269 -10.723 1.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.850 -10.420 2.363 1.00 0.00 H new ATOM 1223 N LYS A 73 0.751 -13.873 6.493 1.00 0.00 N ATOM 1224 CA LYS A 73 0.389 -14.329 7.832 1.00 0.00 C ATOM 1225 C LYS A 73 1.402 -15.340 8.364 1.00 0.00 C ATOM 1226 O LYS A 73 1.506 -15.546 9.573 1.00 0.00 O ATOM 1227 CB LYS A 73 -1.009 -14.951 7.819 1.00 0.00 C ATOM 1228 CG LYS A 73 -1.248 -15.891 6.650 1.00 0.00 C ATOM 1229 CD LYS A 73 -2.477 -16.759 6.874 1.00 0.00 C ATOM 1230 CE LYS A 73 -2.095 -18.174 7.280 1.00 0.00 C ATOM 1231 NZ LYS A 73 -2.191 -18.376 8.752 1.00 0.00 N ATOM 0 H LYS A 73 0.037 -14.039 5.784 1.00 0.00 H new ATOM 0 HA LYS A 73 0.392 -13.462 8.493 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.163 -15.497 8.750 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.752 -14.154 7.790 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.373 -15.311 5.735 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.374 -16.526 6.508 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.102 -16.314 7.648 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.073 -16.790 5.962 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -2.747 -18.885 6.773 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -1.077 -18.384 6.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -1.922 -19.353 8.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -1.550 -17.715 9.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -3.168 -18.201 9.063 1.00 0.00 H new ATOM 1245 N GLN A 74 2.148 -15.967 7.458 1.00 0.00 N ATOM 1246 CA GLN A 74 3.152 -16.958 7.842 1.00 0.00 C ATOM 1247 C GLN A 74 4.077 -16.409 8.925 1.00 0.00 C ATOM 1248 O GLN A 74 4.572 -17.157 9.769 1.00 0.00 O ATOM 1249 CB GLN A 74 3.973 -17.380 6.622 1.00 0.00 C ATOM 1250 CG GLN A 74 4.385 -16.217 5.732 1.00 0.00 C ATOM 1251 CD GLN A 74 5.734 -16.434 5.077 1.00 0.00 C ATOM 1252 OE1 GLN A 74 6.177 -17.570 4.899 1.00 0.00 O ATOM 1253 NE2 GLN A 74 6.396 -15.342 4.712 1.00 0.00 N ATOM 0 H GLN A 74 2.077 -15.807 6.453 1.00 0.00 H new ATOM 0 HA GLN A 74 2.631 -17.828 8.242 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.868 -17.902 6.960 1.00 0.00 H new ATOM 0 HB3 GLN A 74 3.393 -18.090 6.032 1.00 0.00 H new ATOM 0 HG2 GLN A 74 3.630 -16.070 4.960 1.00 0.00 H new ATOM 0 HG3 GLN A 74 4.416 -15.303 6.326 1.00 0.00 H new ATOM 0 HE21 GLN A 74 5.991 -14.421 4.879 1.00 0.00 H new ATOM 0 HE22 GLN A 74 7.309 -15.425 4.265 1.00 0.00 H new ATOM 1262 N GLU A 75 4.303 -15.101 8.896 1.00 0.00 N ATOM 1263 CA GLU A 75 5.169 -14.453 9.877 1.00 0.00 C ATOM 1264 C GLU A 75 4.647 -13.064 10.243 1.00 0.00 C ATOM 1265 O GLU A 75 5.381 -12.243 10.794 1.00 0.00 O ATOM 1266 CB GLU A 75 6.597 -14.346 9.335 1.00 0.00 C ATOM 1267 CG GLU A 75 6.666 -13.956 7.868 1.00 0.00 C ATOM 1268 CD GLU A 75 8.073 -14.022 7.311 1.00 0.00 C ATOM 1269 OE1 GLU A 75 8.829 -14.932 7.716 1.00 0.00 O ATOM 1270 OE2 GLU A 75 8.422 -13.167 6.471 1.00 0.00 O ATOM 0 H GLU A 75 3.900 -14.468 8.205 1.00 0.00 H new ATOM 0 HA GLU A 75 5.171 -15.066 10.778 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.145 -13.610 9.924 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.101 -15.303 9.471 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.020 -14.616 7.290 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.279 -12.944 7.747 1.00 0.00 H new ATOM 1277 N ASN A 76 3.376 -12.806 9.937 1.00 0.00 N ATOM 1278 CA ASN A 76 2.760 -11.516 10.239 1.00 0.00 C ATOM 1279 C ASN A 76 3.648 -10.358 9.787 1.00 0.00 C ATOM 1280 O ASN A 76 4.243 -9.662 10.609 1.00 0.00 O ATOM 1281 CB ASN A 76 2.478 -11.403 11.739 1.00 0.00 C ATOM 1282 CG ASN A 76 1.225 -10.600 12.031 1.00 0.00 C ATOM 1283 OD1 ASN A 76 1.296 -9.451 12.467 1.00 0.00 O ATOM 1284 ND2 ASN A 76 0.066 -11.204 11.794 1.00 0.00 N ATOM 0 H ASN A 76 2.754 -13.473 9.481 1.00 0.00 H new ATOM 0 HA ASN A 76 1.820 -11.457 9.691 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.374 -12.402 12.163 1.00 0.00 H new ATOM 0 HB3 ASN A 76 3.330 -10.935 12.232 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.810 -10.714 11.974 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.052 -12.158 11.432 1.00 0.00 H new ATOM 1291 N THR A 77 3.733 -10.159 8.475 1.00 0.00 N ATOM 1292 CA THR A 77 4.549 -9.087 7.918 1.00 0.00 C ATOM 1293 C THR A 77 3.826 -8.389 6.769 1.00 0.00 C ATOM 1294 O THR A 77 3.088 -9.021 6.012 1.00 0.00 O ATOM 1295 CB THR A 77 5.894 -9.639 7.437 1.00 0.00 C ATOM 1296 OG1 THR A 77 6.645 -10.144 8.527 1.00 0.00 O ATOM 1297 CG2 THR A 77 6.747 -8.611 6.728 1.00 0.00 C ATOM 0 H THR A 77 3.247 -10.725 7.779 1.00 0.00 H new ATOM 0 HA THR A 77 4.727 -8.354 8.704 1.00 0.00 H new ATOM 0 HB THR A 77 5.645 -10.428 6.728 1.00 0.00 H new ATOM 0 HG1 THR A 77 7.500 -10.494 8.201 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.685 -9.070 6.414 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.215 -8.238 5.853 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.957 -7.783 7.405 1.00 0.00 H new ATOM 1305 N LEU A 78 4.047 -7.085 6.644 1.00 0.00 N ATOM 1306 CA LEU A 78 3.423 -6.298 5.587 1.00 0.00 C ATOM 1307 C LEU A 78 4.436 -5.961 4.497 1.00 0.00 C ATOM 1308 O LEU A 78 5.177 -4.984 4.607 1.00 0.00 O ATOM 1309 CB LEU A 78 2.827 -5.012 6.164 1.00 0.00 C ATOM 1310 CG LEU A 78 1.514 -4.562 5.522 1.00 0.00 C ATOM 1311 CD1 LEU A 78 1.001 -3.295 6.189 1.00 0.00 C ATOM 1312 CD2 LEU A 78 1.700 -4.346 4.029 1.00 0.00 C ATOM 0 H LEU A 78 4.655 -6.550 7.263 1.00 0.00 H new ATOM 0 HA LEU A 78 2.623 -6.892 5.146 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.662 -5.154 7.232 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.559 -4.211 6.058 1.00 0.00 H new ATOM 0 HG LEU A 78 0.772 -5.347 5.665 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.066 -2.989 5.719 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.830 -3.485 7.248 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.739 -2.501 6.078 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.756 -4.026 3.587 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.456 -3.579 3.864 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.021 -5.278 3.564 1.00 0.00 H new ATOM 1324 N PHE A 79 4.464 -6.777 3.449 1.00 0.00 N ATOM 1325 CA PHE A 79 5.389 -6.568 2.341 1.00 0.00 C ATOM 1326 C PHE A 79 4.747 -5.723 1.244 1.00 0.00 C ATOM 1327 O PHE A 79 3.776 -6.142 0.612 1.00 0.00 O ATOM 1328 CB PHE A 79 5.848 -7.918 1.776 1.00 0.00 C ATOM 1329 CG PHE A 79 6.577 -7.821 0.463 1.00 0.00 C ATOM 1330 CD1 PHE A 79 7.462 -6.783 0.216 1.00 0.00 C ATOM 1331 CD2 PHE A 79 6.375 -8.773 -0.524 1.00 0.00 C ATOM 1332 CE1 PHE A 79 8.131 -6.696 -0.991 1.00 0.00 C ATOM 1333 CE2 PHE A 79 7.042 -8.691 -1.733 1.00 0.00 C ATOM 1334 CZ PHE A 79 7.920 -7.651 -1.965 1.00 0.00 C ATOM 0 H PHE A 79 3.857 -7.590 3.343 1.00 0.00 H new ATOM 0 HA PHE A 79 6.258 -6.028 2.717 1.00 0.00 H new ATOM 0 HB2 PHE A 79 6.498 -8.402 2.505 1.00 0.00 H new ATOM 0 HB3 PHE A 79 4.977 -8.561 1.649 1.00 0.00 H new ATOM 0 HD1 PHE A 79 7.631 -6.034 0.975 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.689 -9.588 -0.347 1.00 0.00 H new ATOM 0 HE1 PHE A 79 8.818 -5.882 -1.171 1.00 0.00 H new ATOM 0 HE2 PHE A 79 6.876 -9.439 -2.494 1.00 0.00 H new ATOM 0 HZ PHE A 79 8.442 -7.585 -2.908 1.00 0.00 H new ATOM 1344 N LEU A 80 5.301 -4.537 1.019 1.00 0.00 N ATOM 1345 CA LEU A 80 4.788 -3.635 -0.005 1.00 0.00 C ATOM 1346 C LEU A 80 5.208 -4.103 -1.394 1.00 0.00 C ATOM 1347 O LEU A 80 6.056 -4.985 -1.533 1.00 0.00 O ATOM 1348 CB LEU A 80 5.290 -2.210 0.239 1.00 0.00 C ATOM 1349 CG LEU A 80 5.163 -1.716 1.681 1.00 0.00 C ATOM 1350 CD1 LEU A 80 5.882 -0.389 1.856 1.00 0.00 C ATOM 1351 CD2 LEU A 80 3.698 -1.588 2.071 1.00 0.00 C ATOM 0 H LEU A 80 6.106 -4.178 1.532 1.00 0.00 H new ATOM 0 HA LEU A 80 3.699 -3.641 0.051 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.338 -2.155 -0.057 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.739 -1.531 -0.411 1.00 0.00 H new ATOM 0 HG LEU A 80 5.632 -2.447 2.339 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.781 -0.054 2.888 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.938 -0.513 1.617 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.444 0.353 1.189 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.625 -1.236 3.100 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.206 -0.877 1.408 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.212 -2.560 1.985 1.00 0.00 H new ATOM 1363 N VAL A 81 4.609 -3.510 -2.422 1.00 0.00 N ATOM 1364 CA VAL A 81 4.921 -3.869 -3.800 1.00 0.00 C ATOM 1365 C VAL A 81 5.173 -2.625 -4.648 1.00 0.00 C ATOM 1366 O VAL A 81 6.299 -2.371 -5.074 1.00 0.00 O ATOM 1367 CB VAL A 81 3.785 -4.693 -4.438 1.00 0.00 C ATOM 1368 CG1 VAL A 81 4.155 -5.120 -5.851 1.00 0.00 C ATOM 1369 CG2 VAL A 81 3.453 -5.906 -3.577 1.00 0.00 C ATOM 0 H VAL A 81 3.905 -2.779 -2.326 1.00 0.00 H new ATOM 0 HA VAL A 81 5.826 -4.476 -3.772 1.00 0.00 H new ATOM 0 HB VAL A 81 2.898 -4.062 -4.496 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.339 -5.700 -6.281 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.334 -4.236 -6.463 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.058 -5.730 -5.822 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.649 -6.475 -4.044 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.336 -6.537 -3.482 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.136 -5.575 -2.588 1.00 0.00 H new ATOM 1379 N ARG A 82 4.117 -1.855 -4.888 1.00 0.00 N ATOM 1380 CA ARG A 82 4.225 -0.638 -5.685 1.00 0.00 C ATOM 1381 C ARG A 82 3.623 0.552 -4.947 1.00 0.00 C ATOM 1382 O ARG A 82 2.926 0.388 -3.945 1.00 0.00 O ATOM 1383 CB ARG A 82 3.526 -0.824 -7.033 1.00 0.00 C ATOM 1384 CG ARG A 82 3.933 0.205 -8.075 1.00 0.00 C ATOM 1385 CD ARG A 82 3.918 -0.386 -9.477 1.00 0.00 C ATOM 1386 NE ARG A 82 3.543 0.606 -10.483 1.00 0.00 N ATOM 1387 CZ ARG A 82 3.721 0.436 -11.791 1.00 0.00 C ATOM 1388 NH1 ARG A 82 4.264 -0.683 -12.254 1.00 0.00 N ATOM 1389 NH2 ARG A 82 3.355 1.387 -12.639 1.00 0.00 N ATOM 0 H ARG A 82 3.178 -2.052 -4.543 1.00 0.00 H new ATOM 0 HA ARG A 82 5.283 -0.438 -5.856 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.747 -1.821 -7.413 1.00 0.00 H new ATOM 0 HB3 ARG A 82 2.447 -0.772 -6.884 1.00 0.00 H new ATOM 0 HG2 ARG A 82 3.255 1.057 -8.031 1.00 0.00 H new ATOM 0 HG3 ARG A 82 4.931 0.580 -7.848 1.00 0.00 H new ATOM 0 HD2 ARG A 82 4.904 -0.787 -9.712 1.00 0.00 H new ATOM 0 HD3 ARG A 82 3.218 -1.221 -9.512 1.00 0.00 H new ATOM 0 HE ARG A 82 3.121 1.478 -10.164 1.00 0.00 H new ATOM 0 HH11 ARG A 82 4.547 -1.418 -11.606 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.398 -0.808 -13.257 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.937 2.249 -12.289 1.00 0.00 H new ATOM 0 HH22 ARG A 82 3.491 1.257 -13.641 1.00 0.00 H new ATOM 1403 N LEU A 83 3.897 1.753 -5.448 1.00 0.00 N ATOM 1404 CA LEU A 83 3.382 2.972 -4.838 1.00 0.00 C ATOM 1405 C LEU A 83 3.676 4.184 -5.716 1.00 0.00 C ATOM 1406 O LEU A 83 4.788 4.343 -6.219 1.00 0.00 O ATOM 1407 CB LEU A 83 3.998 3.171 -3.452 1.00 0.00 C ATOM 1408 CG LEU A 83 3.453 4.365 -2.665 1.00 0.00 C ATOM 1409 CD1 LEU A 83 3.439 4.060 -1.175 1.00 0.00 C ATOM 1410 CD2 LEU A 83 4.278 5.611 -2.949 1.00 0.00 C ATOM 0 H LEU A 83 4.473 1.907 -6.275 1.00 0.00 H new ATOM 0 HA LEU A 83 2.301 2.872 -4.738 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.837 2.266 -2.867 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.076 3.291 -3.564 1.00 0.00 H new ATOM 0 HG LEU A 83 2.428 4.551 -2.986 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.049 4.920 -0.631 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.805 3.193 -0.987 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.453 3.847 -0.838 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.877 6.450 -2.381 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.313 5.437 -2.656 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.236 5.840 -4.014 1.00 0.00 H new ATOM 1422 N GLY A 84 2.673 5.037 -5.895 1.00 0.00 N ATOM 1423 CA GLY A 84 2.846 6.223 -6.712 1.00 0.00 C ATOM 1424 C GLY A 84 1.607 6.562 -7.515 1.00 0.00 C ATOM 1425 O GLY A 84 0.487 6.282 -7.088 1.00 0.00 O ATOM 0 H GLY A 84 1.744 4.928 -5.489 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.102 7.067 -6.071 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.685 6.073 -7.391 1.00 0.00 H new ATOM 1429 N SER A 85 1.806 7.164 -8.682 1.00 0.00 N ATOM 1430 CA SER A 85 0.695 7.543 -9.548 1.00 0.00 C ATOM 1431 C SER A 85 1.001 7.201 -11.003 1.00 0.00 C ATOM 1432 O SER A 85 2.158 7.203 -11.421 1.00 0.00 O ATOM 1433 CB SER A 85 0.400 9.038 -9.414 1.00 0.00 C ATOM 1434 OG SER A 85 -0.991 9.292 -9.482 1.00 0.00 O ATOM 0 H SER A 85 2.727 7.400 -9.051 1.00 0.00 H new ATOM 0 HA SER A 85 -0.184 6.979 -9.237 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.794 9.406 -8.467 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.912 9.585 -10.206 1.00 0.00 H new ATOM 0 HG SER A 85 -1.321 9.546 -8.595 1.00 0.00 H new ATOM 1440 N HIS A 86 -0.045 6.907 -11.768 1.00 0.00 N ATOM 1441 CA HIS A 86 0.112 6.562 -13.176 1.00 0.00 C ATOM 1442 C HIS A 86 0.764 7.706 -13.945 1.00 0.00 C ATOM 1443 O HIS A 86 1.656 7.487 -14.766 1.00 0.00 O ATOM 1444 CB HIS A 86 -1.246 6.225 -13.795 1.00 0.00 C ATOM 1445 CG HIS A 86 -1.176 5.158 -14.843 1.00 0.00 C ATOM 1446 ND1 HIS A 86 -0.967 5.427 -16.179 1.00 0.00 N ATOM 1447 CD2 HIS A 86 -1.289 3.812 -14.745 1.00 0.00 C ATOM 1448 CE1 HIS A 86 -0.956 4.294 -16.858 1.00 0.00 C ATOM 1449 NE2 HIS A 86 -1.147 3.300 -16.012 1.00 0.00 N ATOM 0 H HIS A 86 -1.010 6.901 -11.437 1.00 0.00 H new ATOM 0 HA HIS A 86 0.760 5.688 -13.241 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -1.927 5.904 -13.006 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -1.670 7.128 -14.235 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -1.459 3.247 -13.840 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -0.815 4.198 -17.924 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -1.183 2.311 -16.259 1.00 0.00 H new ATOM 1458 N SER A 87 0.318 8.927 -13.672 1.00 0.00 N ATOM 1459 CA SER A 87 0.858 10.107 -14.336 1.00 0.00 C ATOM 1460 C SER A 87 2.278 10.398 -13.860 1.00 0.00 C ATOM 1461 O SER A 87 3.111 10.889 -14.621 1.00 0.00 O ATOM 1462 CB SER A 87 -0.038 11.319 -14.080 1.00 0.00 C ATOM 1463 OG SER A 87 -0.463 11.361 -12.728 1.00 0.00 O ATOM 0 H SER A 87 -0.418 9.125 -12.994 1.00 0.00 H new ATOM 0 HA SER A 87 0.888 9.908 -15.407 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.503 12.233 -14.323 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.907 11.278 -14.737 1.00 0.00 H new ATOM 0 HG SER A 87 -1.033 12.146 -12.589 1.00 0.00 H new ATOM 1469 N GLU A 88 2.546 10.090 -12.595 1.00 0.00 N ATOM 1470 CA GLU A 88 3.866 10.318 -12.016 1.00 0.00 C ATOM 1471 C GLU A 88 4.895 9.362 -12.615 1.00 0.00 C ATOM 1472 O GLU A 88 5.910 9.790 -13.163 1.00 0.00 O ATOM 1473 CB GLU A 88 3.817 10.149 -10.496 1.00 0.00 C ATOM 1474 CG GLU A 88 4.599 11.211 -9.741 1.00 0.00 C ATOM 1475 CD GLU A 88 3.759 12.428 -9.407 1.00 0.00 C ATOM 1476 OE1 GLU A 88 2.792 12.286 -8.628 1.00 0.00 O ATOM 1477 OE2 GLU A 88 4.066 13.522 -9.925 1.00 0.00 O ATOM 0 H GLU A 88 1.868 9.682 -11.952 1.00 0.00 H new ATOM 0 HA GLU A 88 4.166 11.339 -12.250 1.00 0.00 H new ATOM 0 HB2 GLU A 88 2.777 10.174 -10.169 1.00 0.00 H new ATOM 0 HB3 GLU A 88 4.210 9.166 -10.235 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.991 10.781 -8.819 1.00 0.00 H new ATOM 0 HG3 GLU A 88 5.456 11.519 -10.339 1.00 0.00 H new ATOM 1484 N LEU A 89 4.623 8.066 -12.506 1.00 0.00 N ATOM 1485 CA LEU A 89 5.523 7.049 -13.036 1.00 0.00 C ATOM 1486 C LEU A 89 5.687 7.202 -14.545 1.00 0.00 C ATOM 1487 O LEU A 89 6.780 7.026 -15.082 1.00 0.00 O ATOM 1488 CB LEU A 89 4.996 5.651 -12.707 1.00 0.00 C ATOM 1489 CG LEU A 89 5.392 5.118 -11.330 1.00 0.00 C ATOM 1490 CD1 LEU A 89 4.374 5.540 -10.282 1.00 0.00 C ATOM 1491 CD2 LEU A 89 5.527 3.604 -11.366 1.00 0.00 C ATOM 0 H LEU A 89 3.786 7.695 -12.055 1.00 0.00 H new ATOM 0 HA LEU A 89 6.498 7.181 -12.567 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.908 5.664 -12.776 1.00 0.00 H new ATOM 0 HB3 LEU A 89 5.355 4.956 -13.466 1.00 0.00 H new ATOM 0 HG LEU A 89 6.358 5.543 -11.059 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.672 5.152 -9.308 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.325 6.628 -10.239 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.394 5.143 -10.546 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.809 3.240 -10.378 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.575 3.161 -11.657 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.294 3.324 -12.088 1.00 0.00 H new ATOM 1503 N PHE A 90 4.592 7.530 -15.224 1.00 0.00 N ATOM 1504 CA PHE A 90 4.613 7.705 -16.671 1.00 0.00 C ATOM 1505 C PHE A 90 4.269 9.142 -17.050 1.00 0.00 C ATOM 1506 O PHE A 90 3.062 9.458 -17.129 1.00 0.00 O ATOM 1507 CB PHE A 90 3.632 6.739 -17.338 1.00 0.00 C ATOM 1508 CG PHE A 90 4.228 5.395 -17.646 1.00 0.00 C ATOM 1509 CD1 PHE A 90 5.129 5.245 -18.688 1.00 0.00 C ATOM 1510 CD2 PHE A 90 3.888 4.283 -16.891 1.00 0.00 C ATOM 1511 CE1 PHE A 90 5.679 4.010 -18.973 1.00 0.00 C ATOM 1512 CE2 PHE A 90 4.435 3.046 -17.173 1.00 0.00 C ATOM 1513 CZ PHE A 90 5.332 2.909 -18.215 1.00 0.00 C ATOM 0 H PHE A 90 3.679 7.680 -14.795 1.00 0.00 H new ATOM 0 HA PHE A 90 5.621 7.487 -17.024 1.00 0.00 H new ATOM 0 HB2 PHE A 90 2.769 6.604 -16.687 1.00 0.00 H new ATOM 0 HB3 PHE A 90 3.267 7.186 -18.263 1.00 0.00 H new ATOM 0 HD1 PHE A 90 5.404 6.103 -19.284 1.00 0.00 H new ATOM 0 HD2 PHE A 90 3.189 4.385 -16.074 1.00 0.00 H new ATOM 0 HE1 PHE A 90 6.380 3.906 -19.788 1.00 0.00 H new ATOM 0 HE2 PHE A 90 4.162 2.186 -16.579 1.00 0.00 H new ATOM 0 HZ PHE A 90 5.761 1.943 -18.436 1.00 0.00 H new TER 1523 PHE A 90