USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 479 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LEU N :NH3+ 132:sc= 0.0968 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.0583) USER MOD Single : A 12 GLN : amide:sc= -0.63 K(o=-0.63,f=-1.7!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.838 K(o=-0.84,f=-1.9) USER MOD Single : A 16 THR OG1 : rot 15:sc= 1.11 USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -113:sc= 0.152 (180deg=-1.28) USER MOD Single : A 29 TYR OH : rot 15:sc= -0.98 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -161:sc= -0.0308 (180deg=-0.251) USER MOD Single : A 52 ASN : amide:sc= -0.029 X(o=-0.029,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.201 X(o=-0.2,f=-0.0059) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc=-0.00225 USER MOD Single : A 62 LYS NZ :NH3+ -152:sc= -0.249 (180deg=-1.23) USER MOD Single : A 64 ASN : amide:sc= -1.27 K(o=-1.3,f=-2.4!) USER MOD Single : A 65 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00608) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.864 0.818 -0.765 1.00 0.00 N ATOM 2 CA LEU A 1 2.282 0.896 -2.161 1.00 0.00 C ATOM 3 C LEU A 1 1.769 -0.304 -2.951 1.00 0.00 C ATOM 4 O LEU A 1 1.371 -1.317 -2.374 1.00 0.00 O ATOM 5 CB LEU A 1 3.807 0.968 -2.253 1.00 0.00 C ATOM 6 CG LEU A 1 4.560 -0.326 -1.940 1.00 0.00 C ATOM 7 CD1 LEU A 1 5.501 -0.685 -3.079 1.00 0.00 C ATOM 8 CD2 LEU A 1 5.328 -0.192 -0.633 1.00 0.00 C ATOM 0 H1 LEU A 1 2.681 0.999 -0.147 1.00 0.00 H new ATOM 0 H2 LEU A 1 1.128 1.530 -0.583 1.00 0.00 H new ATOM 0 H3 LEU A 1 1.485 -0.130 -0.569 1.00 0.00 H new ATOM 0 HA LEU A 1 1.855 1.801 -2.593 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.076 1.287 -3.260 1.00 0.00 H new ATOM 0 HB3 LEU A 1 4.156 1.742 -1.570 1.00 0.00 H new ATOM 0 HG LEU A 1 3.833 -1.130 -1.831 1.00 0.00 H new ATOM 0 HD11 LEU A 1 6.028 -1.608 -2.838 1.00 0.00 H new ATOM 0 HD12 LEU A 1 4.927 -0.823 -3.995 1.00 0.00 H new ATOM 0 HD13 LEU A 1 6.224 0.119 -3.221 1.00 0.00 H new ATOM 0 HD21 LEU A 1 5.858 -1.122 -0.425 1.00 0.00 H new ATOM 0 HD22 LEU A 1 6.046 0.624 -0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 1 4.631 0.017 0.179 1.00 0.00 H new ATOM 20 N THR A 2 1.783 -0.184 -4.275 1.00 0.00 N ATOM 21 CA THR A 2 1.321 -1.258 -5.144 1.00 0.00 C ATOM 22 C THR A 2 2.475 -2.162 -5.563 1.00 0.00 C ATOM 23 O THR A 2 3.518 -1.686 -6.013 1.00 0.00 O ATOM 24 CB THR A 2 0.634 -0.703 -6.406 1.00 0.00 C ATOM 25 OG1 THR A 2 -0.305 0.316 -6.045 1.00 0.00 O ATOM 26 CG2 THR A 2 -0.080 -1.811 -7.166 1.00 0.00 C ATOM 0 H THR A 2 2.110 0.647 -4.768 1.00 0.00 H new ATOM 0 HA THR A 2 0.598 -1.839 -4.571 1.00 0.00 H new ATOM 0 HB THR A 2 1.401 -0.277 -7.052 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.736 0.665 -6.853 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.557 -1.395 -8.053 1.00 0.00 H new ATOM 0 HG22 THR A 2 0.642 -2.571 -7.465 1.00 0.00 H new ATOM 0 HG23 THR A 2 -0.837 -2.263 -6.525 1.00 0.00 H new ATOM 34 N CYS A 3 2.282 -3.468 -5.413 1.00 0.00 N ATOM 35 CA CYS A 3 3.306 -4.440 -5.776 1.00 0.00 C ATOM 36 C CYS A 3 2.722 -5.546 -6.649 1.00 0.00 C ATOM 37 O CYS A 3 1.603 -6.008 -6.420 1.00 0.00 O ATOM 38 CB CYS A 3 3.933 -5.045 -4.518 1.00 0.00 C ATOM 39 SG CYS A 3 4.181 -3.852 -3.163 1.00 0.00 S ATOM 0 H CYS A 3 1.425 -3.878 -5.042 1.00 0.00 H new ATOM 0 HA CYS A 3 4.078 -3.922 -6.346 1.00 0.00 H new ATOM 0 HB2 CYS A 3 3.297 -5.856 -4.162 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.895 -5.486 -4.780 1.00 0.00 H new ATOM 44 N LEU A 4 3.486 -5.968 -7.650 1.00 0.00 N ATOM 45 CA LEU A 4 3.045 -7.021 -8.558 1.00 0.00 C ATOM 46 C LEU A 4 3.316 -8.400 -7.965 1.00 0.00 C ATOM 47 O LEU A 4 4.430 -8.692 -7.531 1.00 0.00 O ATOM 48 CB LEU A 4 3.752 -6.886 -9.908 1.00 0.00 C ATOM 49 CG LEU A 4 2.933 -6.254 -11.034 1.00 0.00 C ATOM 50 CD1 LEU A 4 2.268 -4.973 -10.556 1.00 0.00 C ATOM 51 CD2 LEU A 4 3.813 -5.981 -12.245 1.00 0.00 C ATOM 0 H LEU A 4 4.414 -5.597 -7.854 1.00 0.00 H new ATOM 0 HA LEU A 4 1.970 -6.914 -8.705 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.655 -6.292 -9.765 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.070 -7.878 -10.230 1.00 0.00 H new ATOM 0 HG LEU A 4 2.153 -6.956 -11.328 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.690 -4.537 -11.371 1.00 0.00 H new ATOM 0 HD12 LEU A 4 1.605 -5.197 -9.720 1.00 0.00 H new ATOM 0 HD13 LEU A 4 3.032 -4.265 -10.234 1.00 0.00 H new ATOM 0 HD21 LEU A 4 3.213 -5.531 -13.036 1.00 0.00 H new ATOM 0 HD22 LEU A 4 4.615 -5.298 -11.965 1.00 0.00 H new ATOM 0 HD23 LEU A 4 4.241 -6.918 -12.602 1.00 0.00 H new ATOM 63 N ILE A 5 2.290 -9.245 -7.953 1.00 0.00 N ATOM 64 CA ILE A 5 2.418 -10.594 -7.417 1.00 0.00 C ATOM 65 C ILE A 5 1.846 -11.626 -8.383 1.00 0.00 C ATOM 66 O ILE A 5 0.792 -11.414 -8.982 1.00 0.00 O ATOM 67 CB ILE A 5 1.706 -10.730 -6.058 1.00 0.00 C ATOM 68 CG1 ILE A 5 1.631 -12.200 -5.642 1.00 0.00 C ATOM 69 CG2 ILE A 5 0.314 -10.121 -6.126 1.00 0.00 C ATOM 70 CD1 ILE A 5 0.891 -12.423 -4.341 1.00 0.00 C ATOM 0 H ILE A 5 1.361 -9.019 -8.308 1.00 0.00 H new ATOM 0 HA ILE A 5 3.483 -10.779 -7.280 1.00 0.00 H new ATOM 0 HB ILE A 5 2.281 -10.189 -5.307 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.140 -12.768 -6.432 1.00 0.00 H new ATOM 0 HG13 ILE A 5 2.643 -12.595 -5.547 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -0.176 -10.225 -5.158 1.00 0.00 H new ATOM 0 HG22 ILE A 5 0.391 -9.064 -6.382 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.272 -10.637 -6.887 1.00 0.00 H new ATOM 0 HD11 ILE A 5 0.877 -13.488 -4.108 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.394 -11.883 -3.539 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.132 -12.059 -4.437 1.00 0.00 H new ATOM 82 N CYS A 6 2.548 -12.745 -8.528 1.00 0.00 N ATOM 83 CA CYS A 6 2.111 -13.812 -9.420 1.00 0.00 C ATOM 84 C CYS A 6 3.198 -14.872 -9.574 1.00 0.00 C ATOM 85 O CYS A 6 4.349 -14.574 -9.895 1.00 0.00 O ATOM 86 CB CYS A 6 1.743 -13.241 -10.791 1.00 0.00 C ATOM 87 SG CYS A 6 1.554 -14.499 -12.094 1.00 0.00 S ATOM 0 H CYS A 6 3.422 -12.936 -8.039 1.00 0.00 H new ATOM 0 HA CYS A 6 1.230 -14.281 -8.981 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.811 -12.683 -10.702 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.512 -12.531 -11.095 1.00 0.00 H new ATOM 92 N PRO A 7 2.826 -16.139 -9.340 1.00 0.00 N ATOM 93 CA PRO A 7 3.754 -17.269 -9.447 1.00 0.00 C ATOM 94 C PRO A 7 4.160 -17.551 -10.890 1.00 0.00 C ATOM 95 O PRO A 7 5.339 -17.745 -11.186 1.00 0.00 O ATOM 96 CB PRO A 7 2.952 -18.442 -8.879 1.00 0.00 C ATOM 97 CG PRO A 7 1.526 -18.063 -9.089 1.00 0.00 C ATOM 98 CD PRO A 7 1.471 -16.567 -8.954 1.00 0.00 C ATOM 0 HA PRO A 7 4.689 -17.079 -8.920 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.194 -19.373 -9.392 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.169 -18.595 -7.822 1.00 0.00 H new ATOM 0 HG2 PRO A 7 1.179 -18.379 -10.073 1.00 0.00 H new ATOM 0 HG3 PRO A 7 0.882 -18.545 -8.354 1.00 0.00 H new ATOM 0 HD2 PRO A 7 0.712 -16.133 -9.605 1.00 0.00 H new ATOM 0 HD3 PRO A 7 1.229 -16.264 -7.935 1.00 0.00 H new ATOM 106 N GLU A 8 3.176 -17.572 -11.784 1.00 0.00 N ATOM 107 CA GLU A 8 3.433 -17.830 -13.196 1.00 0.00 C ATOM 108 C GLU A 8 4.507 -16.890 -13.735 1.00 0.00 C ATOM 109 O GLU A 8 4.476 -15.685 -13.485 1.00 0.00 O ATOM 110 CB GLU A 8 2.146 -17.672 -14.008 1.00 0.00 C ATOM 111 CG GLU A 8 1.220 -18.873 -13.923 1.00 0.00 C ATOM 112 CD GLU A 8 0.620 -19.051 -12.541 1.00 0.00 C ATOM 113 OE1 GLU A 8 -0.126 -18.153 -12.098 1.00 0.00 O ATOM 114 OE2 GLU A 8 0.898 -20.088 -11.903 1.00 0.00 O ATOM 0 H GLU A 8 2.195 -17.414 -11.556 1.00 0.00 H new ATOM 0 HA GLU A 8 3.791 -18.855 -13.292 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.613 -16.788 -13.659 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.405 -17.497 -15.052 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.417 -18.760 -14.652 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.772 -19.773 -14.194 1.00 0.00 H new ATOM 121 N LYS A 9 5.457 -17.450 -14.475 1.00 0.00 N ATOM 122 CA LYS A 9 6.542 -16.663 -15.051 1.00 0.00 C ATOM 123 C LYS A 9 5.996 -15.566 -15.959 1.00 0.00 C ATOM 124 O LYS A 9 6.467 -14.429 -15.927 1.00 0.00 O ATOM 125 CB LYS A 9 7.491 -17.567 -15.840 1.00 0.00 C ATOM 126 CG LYS A 9 6.780 -18.514 -16.792 1.00 0.00 C ATOM 127 CD LYS A 9 7.766 -19.292 -17.646 1.00 0.00 C ATOM 128 CE LYS A 9 8.693 -20.144 -16.792 1.00 0.00 C ATOM 129 NZ LYS A 9 10.025 -19.504 -16.611 1.00 0.00 N ATOM 0 H LYS A 9 5.498 -18.446 -14.691 1.00 0.00 H new ATOM 0 HA LYS A 9 7.091 -16.194 -14.234 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.182 -16.945 -16.409 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.089 -18.150 -15.140 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.164 -19.209 -16.222 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.108 -17.947 -17.436 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.222 -19.930 -18.342 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.356 -18.599 -18.245 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.236 -20.313 -15.817 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.820 -21.121 -17.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.440 -19.814 -15.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.652 -19.780 -17.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.915 -18.470 -16.604 1.00 0.00 H new ATOM 143 N ASP A 10 4.999 -15.913 -16.765 1.00 0.00 N ATOM 144 CA ASP A 10 4.387 -14.956 -17.680 1.00 0.00 C ATOM 145 C ASP A 10 3.057 -14.453 -17.129 1.00 0.00 C ATOM 146 O ASP A 10 1.990 -14.804 -17.635 1.00 0.00 O ATOM 147 CB ASP A 10 4.175 -15.595 -19.054 1.00 0.00 C ATOM 148 CG ASP A 10 3.635 -14.611 -20.073 1.00 0.00 C ATOM 149 OD1 ASP A 10 4.229 -13.522 -20.218 1.00 0.00 O ATOM 150 OD2 ASP A 10 2.619 -14.930 -20.724 1.00 0.00 O ATOM 0 H ASP A 10 4.597 -16.850 -16.804 1.00 0.00 H new ATOM 0 HA ASP A 10 5.062 -14.106 -17.783 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.121 -16.002 -19.412 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.483 -16.432 -18.959 1.00 0.00 H new ATOM 155 N CYS A 11 3.127 -13.628 -16.089 1.00 0.00 N ATOM 156 CA CYS A 11 1.929 -13.077 -15.468 1.00 0.00 C ATOM 157 C CYS A 11 2.293 -12.163 -14.301 1.00 0.00 C ATOM 158 O CYS A 11 3.249 -12.424 -13.571 1.00 0.00 O ATOM 159 CB CYS A 11 1.016 -14.204 -14.981 1.00 0.00 C ATOM 160 SG CYS A 11 0.128 -13.827 -13.436 1.00 0.00 S ATOM 0 H CYS A 11 4.001 -13.327 -15.659 1.00 0.00 H new ATOM 0 HA CYS A 11 1.400 -12.488 -16.217 1.00 0.00 H new ATOM 0 HB2 CYS A 11 0.288 -14.429 -15.760 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.614 -15.103 -14.834 1.00 0.00 H new ATOM 165 N GLN A 12 1.525 -11.091 -14.134 1.00 0.00 N ATOM 166 CA GLN A 12 1.767 -10.139 -13.057 1.00 0.00 C ATOM 167 C GLN A 12 0.457 -9.541 -12.554 1.00 0.00 C ATOM 168 O GLN A 12 -0.144 -8.692 -13.213 1.00 0.00 O ATOM 169 CB GLN A 12 2.700 -9.025 -13.533 1.00 0.00 C ATOM 170 CG GLN A 12 2.341 -8.475 -14.904 1.00 0.00 C ATOM 171 CD GLN A 12 2.972 -9.265 -16.033 1.00 0.00 C ATOM 172 OE1 GLN A 12 4.097 -9.752 -15.913 1.00 0.00 O ATOM 173 NE2 GLN A 12 2.249 -9.399 -17.139 1.00 0.00 N ATOM 0 H GLN A 12 0.730 -10.860 -14.731 1.00 0.00 H new ATOM 0 HA GLN A 12 2.241 -10.673 -12.234 1.00 0.00 H new ATOM 0 HB2 GLN A 12 2.680 -8.211 -12.808 1.00 0.00 H new ATOM 0 HB3 GLN A 12 3.722 -9.404 -13.559 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.257 -8.482 -15.022 1.00 0.00 H new ATOM 0 HG3 GLN A 12 2.662 -7.435 -14.970 1.00 0.00 H new ATOM 0 HE21 GLN A 12 1.321 -8.979 -17.196 1.00 0.00 H new ATOM 0 HE22 GLN A 12 2.622 -9.922 -17.932 1.00 0.00 H new ATOM 182 N LYS A 13 0.018 -9.990 -11.383 1.00 0.00 N ATOM 183 CA LYS A 13 -1.221 -9.500 -10.790 1.00 0.00 C ATOM 184 C LYS A 13 -0.935 -8.442 -9.730 1.00 0.00 C ATOM 185 O LYS A 13 -0.297 -8.722 -8.715 1.00 0.00 O ATOM 186 CB LYS A 13 -2.007 -10.658 -10.172 1.00 0.00 C ATOM 187 CG LYS A 13 -3.506 -10.568 -10.405 1.00 0.00 C ATOM 188 CD LYS A 13 -4.155 -11.941 -10.391 1.00 0.00 C ATOM 189 CE LYS A 13 -5.673 -11.840 -10.373 1.00 0.00 C ATOM 190 NZ LYS A 13 -6.193 -11.549 -9.009 1.00 0.00 N ATOM 0 H LYS A 13 0.502 -10.693 -10.825 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.818 -9.045 -11.580 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.639 -11.597 -10.585 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -1.815 -10.685 -9.099 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.958 -9.943 -9.635 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.698 -10.083 -11.362 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.837 -12.504 -11.269 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.816 -12.496 -9.516 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.993 -11.055 -11.059 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.103 -12.774 -10.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.231 -11.488 -9.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.910 -12.310 -8.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.803 -10.645 -8.674 1.00 0.00 H new ATOM 204 N VAL A 14 -1.412 -7.224 -9.971 1.00 0.00 N ATOM 205 CA VAL A 14 -1.209 -6.125 -9.035 1.00 0.00 C ATOM 206 C VAL A 14 -1.708 -6.491 -7.641 1.00 0.00 C ATOM 207 O VAL A 14 -2.655 -7.263 -7.492 1.00 0.00 O ATOM 208 CB VAL A 14 -1.928 -4.847 -9.506 1.00 0.00 C ATOM 209 CG1 VAL A 14 -1.558 -4.526 -10.946 1.00 0.00 C ATOM 210 CG2 VAL A 14 -3.434 -4.997 -9.355 1.00 0.00 C ATOM 0 H VAL A 14 -1.941 -6.974 -10.806 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.136 -5.936 -8.996 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.604 -4.016 -8.879 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.076 -3.620 -11.261 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.481 -4.373 -11.020 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.852 -5.355 -11.590 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.926 -4.085 -9.692 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.778 -5.839 -9.956 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.679 -5.175 -8.308 1.00 0.00 H new ATOM 220 N HIS A 15 -1.064 -5.930 -6.622 1.00 0.00 N ATOM 221 CA HIS A 15 -1.443 -6.196 -5.239 1.00 0.00 C ATOM 222 C HIS A 15 -0.695 -5.271 -4.284 1.00 0.00 C ATOM 223 O HIS A 15 0.530 -5.334 -4.172 1.00 0.00 O ATOM 224 CB HIS A 15 -1.159 -7.655 -4.882 1.00 0.00 C ATOM 225 CG HIS A 15 -1.477 -7.996 -3.459 1.00 0.00 C ATOM 226 ND1 HIS A 15 -0.636 -7.697 -2.408 1.00 0.00 N ATOM 227 CD2 HIS A 15 -2.552 -8.612 -2.915 1.00 0.00 C ATOM 228 CE1 HIS A 15 -1.179 -8.117 -1.279 1.00 0.00 C ATOM 229 NE2 HIS A 15 -2.343 -8.675 -1.559 1.00 0.00 N ATOM 0 H HIS A 15 -0.278 -5.289 -6.728 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.512 -6.007 -5.138 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -1.740 -8.301 -5.540 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -0.107 -7.869 -5.072 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -3.414 -8.985 -3.448 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -0.745 -8.020 -0.295 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -2.983 -9.086 -0.879 1.00 0.00 H new ATOM 237 N THR A 16 -1.440 -4.411 -3.596 1.00 0.00 N ATOM 238 CA THR A 16 -0.847 -3.472 -2.651 1.00 0.00 C ATOM 239 C THR A 16 -0.425 -4.176 -1.367 1.00 0.00 C ATOM 240 O THR A 16 -0.928 -5.253 -1.043 1.00 0.00 O ATOM 241 CB THR A 16 -1.825 -2.334 -2.302 1.00 0.00 C ATOM 242 OG1 THR A 16 -1.116 -1.248 -1.694 1.00 0.00 O ATOM 243 CG2 THR A 16 -2.913 -2.826 -1.360 1.00 0.00 C ATOM 0 H THR A 16 -2.455 -4.345 -3.675 1.00 0.00 H new ATOM 0 HA THR A 16 0.033 -3.049 -3.136 1.00 0.00 H new ATOM 0 HB THR A 16 -2.293 -1.991 -3.225 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.155 -1.356 -1.852 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.592 -2.005 -1.128 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.469 -3.633 -1.837 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.459 -3.193 -0.440 1.00 0.00 H new ATOM 251 N CYS A 17 0.501 -3.563 -0.638 1.00 0.00 N ATOM 252 CA CYS A 17 0.991 -4.131 0.612 1.00 0.00 C ATOM 253 C CYS A 17 0.082 -3.749 1.776 1.00 0.00 C ATOM 254 O CYS A 17 -0.463 -2.646 1.816 1.00 0.00 O ATOM 255 CB CYS A 17 2.419 -3.654 0.888 1.00 0.00 C ATOM 256 SG CYS A 17 3.415 -4.821 1.871 1.00 0.00 S ATOM 0 H CYS A 17 0.928 -2.672 -0.892 1.00 0.00 H new ATOM 0 HA CYS A 17 0.990 -5.217 0.514 1.00 0.00 H new ATOM 0 HB2 CYS A 17 2.921 -3.475 -0.063 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.377 -2.699 1.411 1.00 0.00 H new ATOM 261 N ARG A 18 -0.077 -4.669 2.722 1.00 0.00 N ATOM 262 CA ARG A 18 -0.920 -4.430 3.887 1.00 0.00 C ATOM 263 C ARG A 18 -0.451 -3.196 4.654 1.00 0.00 C ATOM 264 O ARG A 18 0.512 -2.540 4.262 1.00 0.00 O ATOM 265 CB ARG A 18 -0.911 -5.650 4.809 1.00 0.00 C ATOM 266 CG ARG A 18 -1.883 -6.740 4.387 1.00 0.00 C ATOM 267 CD ARG A 18 -1.781 -7.959 5.291 1.00 0.00 C ATOM 268 NE ARG A 18 -2.390 -7.724 6.597 1.00 0.00 N ATOM 269 CZ ARG A 18 -2.149 -8.475 7.666 1.00 0.00 C ATOM 270 NH1 ARG A 18 -1.315 -9.502 7.584 1.00 0.00 N ATOM 271 NH2 ARG A 18 -2.742 -8.198 8.820 1.00 0.00 N ATOM 0 H ARG A 18 0.367 -5.587 2.704 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.938 -4.255 3.538 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.096 -6.065 4.839 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.154 -5.331 5.822 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.901 -6.351 4.413 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.679 -7.032 3.357 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.268 -8.808 4.811 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.732 -8.226 5.423 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.036 -6.940 6.694 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.857 -9.717 6.699 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -1.132 -10.077 8.406 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.384 -7.408 8.887 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.556 -8.775 9.640 1.00 0.00 H new ATOM 285 N ASN A 19 -1.141 -2.888 5.747 1.00 0.00 N ATOM 286 CA ASN A 19 -0.796 -1.733 6.568 1.00 0.00 C ATOM 287 C ASN A 19 0.507 -1.973 7.325 1.00 0.00 C ATOM 288 O ASN A 19 1.467 -1.217 7.182 1.00 0.00 O ATOM 289 CB ASN A 19 -1.924 -1.429 7.556 1.00 0.00 C ATOM 290 CG ASN A 19 -3.205 -1.011 6.860 1.00 0.00 C ATOM 291 OD1 ASN A 19 -3.213 -0.743 5.659 1.00 0.00 O ATOM 292 ND2 ASN A 19 -4.296 -0.954 7.615 1.00 0.00 N ATOM 0 H ASN A 19 -1.942 -3.422 6.085 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.659 -0.877 5.908 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -2.117 -2.311 8.166 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.606 -0.636 8.233 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -5.188 -0.679 7.203 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.242 -1.185 8.607 1.00 0.00 H new ATOM 299 N GLU A 20 0.532 -3.032 8.129 1.00 0.00 N ATOM 300 CA GLU A 20 1.717 -3.371 8.908 1.00 0.00 C ATOM 301 C GLU A 20 2.952 -3.443 8.015 1.00 0.00 C ATOM 302 O GLU A 20 3.977 -2.827 8.306 1.00 0.00 O ATOM 303 CB GLU A 20 1.516 -4.706 9.628 1.00 0.00 C ATOM 304 CG GLU A 20 0.894 -4.565 11.007 1.00 0.00 C ATOM 305 CD GLU A 20 0.871 -5.874 11.773 1.00 0.00 C ATOM 306 OE1 GLU A 20 0.936 -6.940 11.126 1.00 0.00 O ATOM 307 OE2 GLU A 20 0.788 -5.833 13.018 1.00 0.00 O ATOM 0 H GLU A 20 -0.254 -3.669 8.258 1.00 0.00 H new ATOM 0 HA GLU A 20 1.871 -2.586 9.649 1.00 0.00 H new ATOM 0 HB2 GLU A 20 0.882 -5.347 9.016 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.479 -5.207 9.722 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.452 -3.823 11.579 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.124 -4.190 10.906 1.00 0.00 H new ATOM 314 N GLU A 21 2.846 -4.200 6.928 1.00 0.00 N ATOM 315 CA GLU A 21 3.955 -4.353 5.993 1.00 0.00 C ATOM 316 C GLU A 21 4.060 -3.143 5.070 1.00 0.00 C ATOM 317 O GLU A 21 3.067 -2.471 4.792 1.00 0.00 O ATOM 318 CB GLU A 21 3.780 -5.628 5.165 1.00 0.00 C ATOM 319 CG GLU A 21 3.714 -6.894 6.002 1.00 0.00 C ATOM 320 CD GLU A 21 2.301 -7.231 6.439 1.00 0.00 C ATOM 321 OE1 GLU A 21 1.547 -7.798 5.620 1.00 0.00 O ATOM 322 OE2 GLU A 21 1.950 -6.928 7.598 1.00 0.00 O ATOM 0 H GLU A 21 2.004 -4.717 6.673 1.00 0.00 H new ATOM 0 HA GLU A 21 4.876 -4.427 6.571 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.867 -5.545 4.575 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.608 -5.711 4.461 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.121 -7.726 5.428 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.345 -6.776 6.883 1.00 0.00 H new ATOM 329 N LYS A 22 5.272 -2.871 4.597 1.00 0.00 N ATOM 330 CA LYS A 22 5.509 -1.743 3.704 1.00 0.00 C ATOM 331 C LYS A 22 6.371 -2.161 2.517 1.00 0.00 C ATOM 332 O LYS A 22 6.720 -1.337 1.671 1.00 0.00 O ATOM 333 CB LYS A 22 6.187 -0.599 4.462 1.00 0.00 C ATOM 334 CG LYS A 22 5.214 0.292 5.215 1.00 0.00 C ATOM 335 CD LYS A 22 5.911 1.075 6.315 1.00 0.00 C ATOM 336 CE LYS A 22 5.005 2.149 6.895 1.00 0.00 C ATOM 337 NZ LYS A 22 5.547 2.706 8.166 1.00 0.00 N ATOM 0 H LYS A 22 6.105 -3.417 4.817 1.00 0.00 H new ATOM 0 HA LYS A 22 4.545 -1.401 3.328 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.905 -1.017 5.168 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.752 0.009 3.756 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.740 0.984 4.519 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.421 -0.318 5.648 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.222 0.394 7.107 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.815 1.536 5.918 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.884 2.953 6.169 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.015 1.730 7.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.900 3.435 8.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.639 1.944 8.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.481 3.128 7.990 1.00 0.00 H new ATOM 351 N ILE A 23 6.709 -3.444 2.460 1.00 0.00 N ATOM 352 CA ILE A 23 7.528 -3.971 1.375 1.00 0.00 C ATOM 353 C ILE A 23 6.981 -5.302 0.870 1.00 0.00 C ATOM 354 O ILE A 23 6.356 -6.053 1.619 1.00 0.00 O ATOM 355 CB ILE A 23 8.991 -4.164 1.816 1.00 0.00 C ATOM 356 CG1 ILE A 23 9.103 -5.342 2.786 1.00 0.00 C ATOM 357 CG2 ILE A 23 9.523 -2.891 2.457 1.00 0.00 C ATOM 358 CD1 ILE A 23 9.853 -6.525 2.215 1.00 0.00 C ATOM 0 H ILE A 23 6.429 -4.138 3.152 1.00 0.00 H new ATOM 0 HA ILE A 23 7.494 -3.238 0.569 1.00 0.00 H new ATOM 0 HB ILE A 23 9.595 -4.384 0.935 1.00 0.00 H new ATOM 0 HG12 ILE A 23 9.605 -5.008 3.694 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.102 -5.662 3.074 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.558 -3.043 2.763 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.474 -2.073 1.738 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.919 -2.643 3.330 1.00 0.00 H new ATOM 0 HD11 ILE A 23 9.894 -7.323 2.957 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.340 -6.885 1.323 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.866 -6.221 1.953 1.00 0.00 H new ATOM 370 N CYS A 24 7.222 -5.588 -0.405 1.00 0.00 N ATOM 371 CA CYS A 24 6.756 -6.829 -1.012 1.00 0.00 C ATOM 372 C CYS A 24 7.925 -7.635 -1.569 1.00 0.00 C ATOM 373 O CYS A 24 8.684 -7.150 -2.409 1.00 0.00 O ATOM 374 CB CYS A 24 5.751 -6.530 -2.126 1.00 0.00 C ATOM 375 SG CYS A 24 4.448 -5.347 -1.656 1.00 0.00 S ATOM 0 H CYS A 24 7.738 -4.977 -1.038 1.00 0.00 H new ATOM 0 HA CYS A 24 6.266 -7.421 -0.239 1.00 0.00 H new ATOM 0 HB2 CYS A 24 6.288 -6.138 -2.989 1.00 0.00 H new ATOM 0 HB3 CYS A 24 5.283 -7.464 -2.439 1.00 0.00 H new ATOM 380 N VAL A 25 8.064 -8.870 -1.096 1.00 0.00 N ATOM 381 CA VAL A 25 9.140 -9.745 -1.547 1.00 0.00 C ATOM 382 C VAL A 25 8.609 -11.128 -1.907 1.00 0.00 C ATOM 383 O VAL A 25 7.646 -11.610 -1.310 1.00 0.00 O ATOM 384 CB VAL A 25 10.234 -9.890 -0.472 1.00 0.00 C ATOM 385 CG1 VAL A 25 9.631 -10.363 0.842 1.00 0.00 C ATOM 386 CG2 VAL A 25 11.321 -10.844 -0.944 1.00 0.00 C ATOM 0 H VAL A 25 7.445 -9.287 -0.401 1.00 0.00 H new ATOM 0 HA VAL A 25 9.573 -9.283 -2.434 1.00 0.00 H new ATOM 0 HB VAL A 25 10.688 -8.913 -0.305 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.418 -10.460 1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.892 -9.639 1.185 1.00 0.00 H new ATOM 0 HG13 VAL A 25 9.150 -11.330 0.694 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.086 -10.935 -0.172 1.00 0.00 H new ATOM 0 HG22 VAL A 25 10.885 -11.824 -1.140 1.00 0.00 H new ATOM 0 HG23 VAL A 25 11.772 -10.458 -1.858 1.00 0.00 H new ATOM 396 N LYS A 26 9.244 -11.763 -2.886 1.00 0.00 N ATOM 397 CA LYS A 26 8.838 -13.093 -3.325 1.00 0.00 C ATOM 398 C LYS A 26 10.047 -14.013 -3.461 1.00 0.00 C ATOM 399 O LYS A 26 11.137 -13.573 -3.827 1.00 0.00 O ATOM 400 CB LYS A 26 8.097 -13.007 -4.661 1.00 0.00 C ATOM 401 CG LYS A 26 8.112 -14.304 -5.450 1.00 0.00 C ATOM 402 CD LYS A 26 7.202 -14.229 -6.665 1.00 0.00 C ATOM 403 CE LYS A 26 7.984 -13.901 -7.928 1.00 0.00 C ATOM 404 NZ LYS A 26 7.099 -13.826 -9.123 1.00 0.00 N ATOM 0 H LYS A 26 10.042 -11.378 -3.391 1.00 0.00 H new ATOM 0 HA LYS A 26 8.169 -13.509 -2.571 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.063 -12.717 -4.475 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.546 -12.219 -5.266 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.130 -14.524 -5.770 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.795 -15.125 -4.807 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.685 -15.180 -6.793 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.437 -13.470 -6.502 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.501 -12.950 -7.799 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.749 -14.661 -8.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.323 -14.608 -9.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.105 -13.898 -8.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.249 -12.919 -9.610 1.00 0.00 H new ATOM 418 N ARG A 27 9.846 -15.294 -3.165 1.00 0.00 N ATOM 419 CA ARG A 27 10.920 -16.276 -3.255 1.00 0.00 C ATOM 420 C ARG A 27 10.482 -17.487 -4.073 1.00 0.00 C ATOM 421 O ARG A 27 9.394 -18.026 -3.871 1.00 0.00 O ATOM 422 CB ARG A 27 11.350 -16.721 -1.856 1.00 0.00 C ATOM 423 CG ARG A 27 11.431 -15.582 -0.852 1.00 0.00 C ATOM 424 CD ARG A 27 12.112 -16.022 0.435 1.00 0.00 C ATOM 425 NE ARG A 27 11.178 -16.077 1.556 1.00 0.00 N ATOM 426 CZ ARG A 27 10.395 -17.119 1.810 1.00 0.00 C ATOM 427 NH1 ARG A 27 10.434 -18.188 1.026 1.00 0.00 N ATOM 428 NH2 ARG A 27 9.571 -17.095 2.850 1.00 0.00 N ATOM 0 H ARG A 27 8.950 -15.675 -2.861 1.00 0.00 H new ATOM 0 HA ARG A 27 11.767 -15.807 -3.757 1.00 0.00 H new ATOM 0 HB2 ARG A 27 10.646 -17.468 -1.489 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.324 -17.206 -1.922 1.00 0.00 H new ATOM 0 HG2 ARG A 27 11.981 -14.748 -1.289 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.427 -15.220 -0.629 1.00 0.00 H new ATOM 0 HD2 ARG A 27 12.562 -17.004 0.290 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.922 -15.332 0.671 1.00 0.00 H new ATOM 0 HE ARG A 27 11.124 -15.271 2.178 1.00 0.00 H new ATOM 0 HH11 ARG A 27 11.066 -18.211 0.226 1.00 0.00 H new ATOM 0 HH12 ARG A 27 9.832 -18.987 1.223 1.00 0.00 H new ATOM 0 HH21 ARG A 27 9.538 -16.275 3.456 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.970 -17.896 3.043 1.00 0.00 H new ATOM 442 N PHE A 28 11.337 -17.909 -4.999 1.00 0.00 N ATOM 443 CA PHE A 28 11.038 -19.055 -5.850 1.00 0.00 C ATOM 444 C PHE A 28 12.236 -19.996 -5.936 1.00 0.00 C ATOM 445 O PHE A 28 13.382 -19.576 -5.773 1.00 0.00 O ATOM 446 CB PHE A 28 10.641 -18.587 -7.251 1.00 0.00 C ATOM 447 CG PHE A 28 11.774 -17.970 -8.021 1.00 0.00 C ATOM 448 CD1 PHE A 28 12.603 -18.754 -8.806 1.00 0.00 C ATOM 449 CD2 PHE A 28 12.009 -16.606 -7.958 1.00 0.00 C ATOM 450 CE1 PHE A 28 13.647 -18.188 -9.514 1.00 0.00 C ATOM 451 CE2 PHE A 28 13.051 -16.035 -8.665 1.00 0.00 C ATOM 452 CZ PHE A 28 13.870 -16.827 -9.444 1.00 0.00 C ATOM 0 H PHE A 28 12.242 -17.475 -5.179 1.00 0.00 H new ATOM 0 HA PHE A 28 10.203 -19.598 -5.406 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.251 -19.436 -7.812 1.00 0.00 H new ATOM 0 HB3 PHE A 28 9.832 -17.862 -7.167 1.00 0.00 H new ATOM 0 HD1 PHE A 28 12.432 -19.819 -8.866 1.00 0.00 H new ATOM 0 HD2 PHE A 28 11.371 -15.982 -7.350 1.00 0.00 H new ATOM 0 HE1 PHE A 28 14.288 -18.810 -10.121 1.00 0.00 H new ATOM 0 HE2 PHE A 28 13.224 -14.970 -8.608 1.00 0.00 H new ATOM 0 HZ PHE A 28 14.684 -16.383 -9.998 1.00 0.00 H new ATOM 462 N TYR A 29 11.963 -21.270 -6.193 1.00 0.00 N ATOM 463 CA TYR A 29 13.017 -22.272 -6.298 1.00 0.00 C ATOM 464 C TYR A 29 12.928 -23.019 -7.625 1.00 0.00 C ATOM 465 O TYR A 29 11.844 -23.403 -8.062 1.00 0.00 O ATOM 466 CB TYR A 29 12.927 -23.262 -5.135 1.00 0.00 C ATOM 467 CG TYR A 29 14.265 -23.828 -4.717 1.00 0.00 C ATOM 468 CD1 TYR A 29 14.862 -24.856 -5.436 1.00 0.00 C ATOM 469 CD2 TYR A 29 14.932 -23.334 -3.602 1.00 0.00 C ATOM 470 CE1 TYR A 29 16.084 -25.377 -5.056 1.00 0.00 C ATOM 471 CE2 TYR A 29 16.155 -23.848 -3.217 1.00 0.00 C ATOM 472 CZ TYR A 29 16.727 -24.870 -3.947 1.00 0.00 C ATOM 473 OH TYR A 29 17.945 -25.385 -3.566 1.00 0.00 O ATOM 0 H TYR A 29 11.020 -21.634 -6.333 1.00 0.00 H new ATOM 0 HA TYR A 29 13.977 -21.758 -6.255 1.00 0.00 H new ATOM 0 HB2 TYR A 29 12.469 -22.765 -4.280 1.00 0.00 H new ATOM 0 HB3 TYR A 29 12.267 -24.082 -5.417 1.00 0.00 H new ATOM 0 HD1 TYR A 29 14.363 -25.255 -6.307 1.00 0.00 H new ATOM 0 HD2 TYR A 29 14.487 -22.535 -3.027 1.00 0.00 H new ATOM 0 HE1 TYR A 29 16.533 -26.178 -5.625 1.00 0.00 H new ATOM 0 HE2 TYR A 29 16.661 -23.452 -2.349 1.00 0.00 H new ATOM 0 HH TYR A 29 18.319 -25.918 -4.299 1.00 0.00 H new ATOM 483 N ASP A 30 14.077 -23.222 -8.260 1.00 0.00 N ATOM 484 CA ASP A 30 14.132 -23.925 -9.536 1.00 0.00 C ATOM 485 C ASP A 30 15.079 -25.118 -9.460 1.00 0.00 C ATOM 486 O ASP A 30 16.262 -24.967 -9.152 1.00 0.00 O ATOM 487 CB ASP A 30 14.578 -22.974 -10.648 1.00 0.00 C ATOM 488 CG ASP A 30 15.916 -22.325 -10.352 1.00 0.00 C ATOM 489 OD1 ASP A 30 15.939 -21.330 -9.596 1.00 0.00 O ATOM 490 OD2 ASP A 30 16.940 -22.812 -10.875 1.00 0.00 O ATOM 0 H ASP A 30 14.983 -22.909 -7.912 1.00 0.00 H new ATOM 0 HA ASP A 30 13.131 -24.293 -9.763 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.644 -23.523 -11.587 1.00 0.00 H new ATOM 0 HB3 ASP A 30 13.824 -22.199 -10.784 1.00 0.00 H new ATOM 495 N LYS A 31 14.551 -26.305 -9.741 1.00 0.00 N ATOM 496 CA LYS A 31 15.349 -27.525 -9.704 1.00 0.00 C ATOM 497 C LYS A 31 16.103 -27.721 -11.015 1.00 0.00 C ATOM 498 O LYS A 31 16.038 -26.881 -11.911 1.00 0.00 O ATOM 499 CB LYS A 31 14.453 -28.736 -9.433 1.00 0.00 C ATOM 500 CG LYS A 31 13.966 -28.822 -7.997 1.00 0.00 C ATOM 501 CD LYS A 31 14.901 -29.658 -7.140 1.00 0.00 C ATOM 502 CE LYS A 31 15.985 -28.803 -6.501 1.00 0.00 C ATOM 503 NZ LYS A 31 16.492 -29.404 -5.237 1.00 0.00 N ATOM 0 H LYS A 31 13.574 -26.448 -9.997 1.00 0.00 H new ATOM 0 HA LYS A 31 16.076 -27.430 -8.897 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.591 -28.696 -10.099 1.00 0.00 H new ATOM 0 HB3 LYS A 31 15.002 -29.646 -9.677 1.00 0.00 H new ATOM 0 HG2 LYS A 31 13.887 -27.819 -7.578 1.00 0.00 H new ATOM 0 HG3 LYS A 31 12.966 -29.256 -7.976 1.00 0.00 H new ATOM 0 HD2 LYS A 31 14.329 -30.163 -6.362 1.00 0.00 H new ATOM 0 HD3 LYS A 31 15.361 -30.434 -7.752 1.00 0.00 H new ATOM 0 HE2 LYS A 31 16.811 -28.680 -7.202 1.00 0.00 H new ATOM 0 HE3 LYS A 31 15.590 -27.808 -6.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 17.229 -28.792 -4.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 15.709 -29.498 -4.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 16.893 -30.343 -5.435 1.00 0.00 H new ATOM 574 N TRP A 36 9.873 -26.107 -10.035 1.00 0.00 N ATOM 575 CA TRP A 36 9.726 -24.665 -10.194 1.00 0.00 C ATOM 576 C TRP A 36 8.539 -24.147 -9.390 1.00 0.00 C ATOM 577 O TRP A 36 7.385 -24.342 -9.773 1.00 0.00 O ATOM 578 CB TRP A 36 9.551 -24.310 -11.672 1.00 0.00 C ATOM 579 CG TRP A 36 9.706 -22.846 -11.953 1.00 0.00 C ATOM 580 CD1 TRP A 36 8.759 -21.876 -11.794 1.00 0.00 C ATOM 581 CD2 TRP A 36 10.879 -22.187 -12.445 1.00 0.00 C ATOM 582 NE1 TRP A 36 9.271 -20.654 -12.157 1.00 0.00 N ATOM 583 CE2 TRP A 36 10.570 -20.818 -12.559 1.00 0.00 C ATOM 584 CE3 TRP A 36 12.160 -22.621 -12.797 1.00 0.00 C ATOM 585 CZ2 TRP A 36 11.496 -19.882 -13.012 1.00 0.00 C ATOM 586 CZ3 TRP A 36 13.077 -21.691 -13.247 1.00 0.00 C ATOM 587 CH2 TRP A 36 12.742 -20.334 -13.350 1.00 0.00 C ATOM 0 HA TRP A 36 10.631 -24.188 -9.818 1.00 0.00 H new ATOM 0 HB2 TRP A 36 10.281 -24.865 -12.261 1.00 0.00 H new ATOM 0 HB3 TRP A 36 8.564 -24.634 -12.002 1.00 0.00 H new ATOM 0 HD1 TRP A 36 7.754 -22.044 -11.435 1.00 0.00 H new ATOM 0 HE1 TRP A 36 8.766 -19.768 -12.131 1.00 0.00 H new ATOM 0 HE3 TRP A 36 12.428 -23.664 -12.719 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 11.240 -18.836 -13.094 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 14.069 -22.015 -13.524 1.00 0.00 H new ATOM 0 HH2 TRP A 36 13.482 -19.631 -13.703 1.00 0.00 H new ATOM 598 N ARG A 37 8.829 -23.485 -8.275 1.00 0.00 N ATOM 599 CA ARG A 37 7.785 -22.939 -7.417 1.00 0.00 C ATOM 600 C ARG A 37 8.125 -21.516 -6.983 1.00 0.00 C ATOM 601 O ARG A 37 9.290 -21.188 -6.756 1.00 0.00 O ATOM 602 CB ARG A 37 7.591 -23.826 -6.185 1.00 0.00 C ATOM 603 CG ARG A 37 7.218 -25.261 -6.521 1.00 0.00 C ATOM 604 CD ARG A 37 7.516 -26.199 -5.362 1.00 0.00 C ATOM 605 NE ARG A 37 7.054 -27.559 -5.627 1.00 0.00 N ATOM 606 CZ ARG A 37 7.227 -28.571 -4.784 1.00 0.00 C ATOM 607 NH1 ARG A 37 7.848 -28.378 -3.629 1.00 0.00 N ATOM 608 NH2 ARG A 37 6.778 -29.781 -5.096 1.00 0.00 N ATOM 0 H ARG A 37 9.779 -23.314 -7.945 1.00 0.00 H new ATOM 0 HA ARG A 37 6.857 -22.914 -7.989 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.510 -23.826 -5.599 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.812 -23.395 -5.556 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.158 -25.314 -6.770 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.770 -25.585 -7.404 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.589 -26.211 -5.172 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.037 -25.823 -4.458 1.00 0.00 H new ATOM 0 HE ARG A 37 6.572 -27.742 -6.507 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.195 -27.450 -3.385 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.979 -29.157 -2.984 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.300 -29.934 -5.984 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.911 -30.557 -4.448 1.00 0.00 H new ATOM 622 N ALA A 38 7.102 -20.676 -6.871 1.00 0.00 N ATOM 623 CA ALA A 38 7.293 -19.290 -6.463 1.00 0.00 C ATOM 624 C ALA A 38 6.166 -18.827 -5.546 1.00 0.00 C ATOM 625 O ALA A 38 5.009 -19.203 -5.732 1.00 0.00 O ATOM 626 CB ALA A 38 7.385 -18.388 -7.685 1.00 0.00 C ATOM 0 H ALA A 38 6.132 -20.931 -7.057 1.00 0.00 H new ATOM 0 HA ALA A 38 8.228 -19.227 -5.907 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.528 -17.356 -7.365 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.229 -18.697 -8.302 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.465 -18.465 -8.264 1.00 0.00 H new ATOM 632 N GLN A 39 6.512 -18.010 -4.556 1.00 0.00 N ATOM 633 CA GLN A 39 5.528 -17.498 -3.610 1.00 0.00 C ATOM 634 C GLN A 39 5.901 -16.094 -3.143 1.00 0.00 C ATOM 635 O GLN A 39 7.045 -15.839 -2.766 1.00 0.00 O ATOM 636 CB GLN A 39 5.411 -18.434 -2.406 1.00 0.00 C ATOM 637 CG GLN A 39 4.357 -19.517 -2.577 1.00 0.00 C ATOM 638 CD GLN A 39 4.466 -20.607 -1.530 1.00 0.00 C ATOM 639 OE1 GLN A 39 4.949 -20.374 -0.422 1.00 0.00 O ATOM 640 NE2 GLN A 39 4.015 -21.808 -1.877 1.00 0.00 N ATOM 0 H GLN A 39 7.466 -17.689 -4.389 1.00 0.00 H new ATOM 0 HA GLN A 39 4.565 -17.449 -4.118 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.378 -18.905 -2.227 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.174 -17.845 -1.520 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.366 -19.066 -2.525 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.454 -19.960 -3.568 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.622 -21.956 -2.807 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.062 -22.581 -1.214 1.00 0.00 H new ATOM 649 N ARG A 40 4.928 -15.189 -3.171 1.00 0.00 N ATOM 650 CA ARG A 40 5.155 -13.811 -2.752 1.00 0.00 C ATOM 651 C ARG A 40 4.808 -13.627 -1.278 1.00 0.00 C ATOM 652 O ARG A 40 4.246 -14.520 -0.645 1.00 0.00 O ATOM 653 CB ARG A 40 4.324 -12.852 -3.607 1.00 0.00 C ATOM 654 CG ARG A 40 4.955 -11.479 -3.769 1.00 0.00 C ATOM 655 CD ARG A 40 5.049 -11.078 -5.233 1.00 0.00 C ATOM 656 NE ARG A 40 6.410 -10.710 -5.613 1.00 0.00 N ATOM 657 CZ ARG A 40 6.876 -10.802 -6.854 1.00 0.00 C ATOM 658 NH1 ARG A 40 6.095 -11.248 -7.828 1.00 0.00 N ATOM 659 NH2 ARG A 40 8.127 -10.447 -7.122 1.00 0.00 N ATOM 0 H ARG A 40 3.976 -15.385 -3.479 1.00 0.00 H new ATOM 0 HA ARG A 40 6.213 -13.585 -2.889 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.176 -13.293 -4.593 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.338 -12.739 -3.157 1.00 0.00 H new ATOM 0 HG2 ARG A 40 4.366 -10.740 -3.225 1.00 0.00 H new ATOM 0 HG3 ARG A 40 5.951 -11.481 -3.326 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.709 -11.904 -5.858 1.00 0.00 H new ATOM 0 HD3 ARG A 40 4.380 -10.239 -5.423 1.00 0.00 H new ATOM 0 HE ARG A 40 7.037 -10.364 -4.887 1.00 0.00 H new ATOM 0 HH11 ARG A 40 5.133 -11.522 -7.626 1.00 0.00 H new ATOM 0 HH12 ARG A 40 6.456 -11.317 -8.780 1.00 0.00 H new ATOM 0 HH21 ARG A 40 8.731 -10.104 -6.375 1.00 0.00 H new ATOM 0 HH22 ARG A 40 8.484 -10.518 -8.075 1.00 0.00 H new ATOM 673 N GLY A 41 5.146 -12.461 -0.736 1.00 0.00 N ATOM 674 CA GLY A 41 4.863 -12.180 0.659 1.00 0.00 C ATOM 675 C GLY A 41 5.363 -10.816 1.090 1.00 0.00 C ATOM 676 O GLY A 41 6.526 -10.476 0.875 1.00 0.00 O ATOM 0 H GLY A 41 5.611 -11.705 -1.239 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.788 -12.239 0.827 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.325 -12.946 1.282 1.00 0.00 H new ATOM 680 N CYS A 42 4.481 -10.030 1.698 1.00 0.00 N ATOM 681 CA CYS A 42 4.837 -8.693 2.159 1.00 0.00 C ATOM 682 C CYS A 42 5.547 -8.753 3.508 1.00 0.00 C ATOM 683 O CYS A 42 5.580 -9.798 4.157 1.00 0.00 O ATOM 684 CB CYS A 42 3.587 -7.818 2.266 1.00 0.00 C ATOM 685 SG CYS A 42 3.396 -6.623 0.904 1.00 0.00 S ATOM 0 H CYS A 42 3.514 -10.296 1.883 1.00 0.00 H new ATOM 0 HA CYS A 42 5.518 -8.254 1.430 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.708 -8.462 2.296 1.00 0.00 H new ATOM 0 HB3 CYS A 42 3.617 -7.274 3.210 1.00 0.00 H new ATOM 690 N ALA A 43 6.113 -7.625 3.924 1.00 0.00 N ATOM 691 CA ALA A 43 6.819 -7.548 5.196 1.00 0.00 C ATOM 692 C ALA A 43 7.249 -6.117 5.501 1.00 0.00 C ATOM 693 O ALA A 43 6.811 -5.174 4.842 1.00 0.00 O ATOM 694 CB ALA A 43 8.028 -8.473 5.186 1.00 0.00 C ATOM 0 H ALA A 43 6.096 -6.751 3.398 1.00 0.00 H new ATOM 0 HA ALA A 43 6.135 -7.869 5.982 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.546 -8.405 6.143 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.699 -9.499 5.023 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.706 -8.178 4.385 1.00 0.00 H new ATOM 700 N VAL A 44 8.108 -5.963 6.503 1.00 0.00 N ATOM 701 CA VAL A 44 8.597 -4.646 6.895 1.00 0.00 C ATOM 702 C VAL A 44 10.099 -4.527 6.665 1.00 0.00 C ATOM 703 O VAL A 44 10.685 -3.462 6.859 1.00 0.00 O ATOM 704 CB VAL A 44 8.290 -4.351 8.375 1.00 0.00 C ATOM 705 CG1 VAL A 44 8.494 -2.874 8.678 1.00 0.00 C ATOM 706 CG2 VAL A 44 6.873 -4.783 8.721 1.00 0.00 C ATOM 0 H VAL A 44 8.480 -6.734 7.058 1.00 0.00 H new ATOM 0 HA VAL A 44 8.078 -3.917 6.272 1.00 0.00 H new ATOM 0 HB VAL A 44 8.982 -4.924 8.993 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.272 -2.684 9.728 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.528 -2.599 8.470 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.828 -2.279 8.053 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.673 -4.567 9.771 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.164 -4.239 8.097 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.765 -5.853 8.544 1.00 0.00 H new ATOM 716 N SER A 45 10.718 -5.628 6.251 1.00 0.00 N ATOM 717 CA SER A 45 12.154 -5.649 5.998 1.00 0.00 C ATOM 718 C SER A 45 12.482 -6.535 4.801 1.00 0.00 C ATOM 719 O SER A 45 11.648 -7.319 4.346 1.00 0.00 O ATOM 720 CB SER A 45 12.904 -6.146 7.236 1.00 0.00 C ATOM 721 OG SER A 45 14.289 -5.858 7.142 1.00 0.00 O ATOM 0 H SER A 45 10.247 -6.517 6.084 1.00 0.00 H new ATOM 0 HA SER A 45 12.473 -4.631 5.773 1.00 0.00 H new ATOM 0 HB2 SER A 45 12.491 -5.676 8.129 1.00 0.00 H new ATOM 0 HB3 SER A 45 12.759 -7.221 7.346 1.00 0.00 H new ATOM 0 HG SER A 45 14.746 -6.184 7.945 1.00 0.00 H new ATOM 727 N CYS A 46 13.703 -6.405 4.293 1.00 0.00 N ATOM 728 CA CYS A 46 14.144 -7.192 3.148 1.00 0.00 C ATOM 729 C CYS A 46 15.181 -8.231 3.568 1.00 0.00 C ATOM 730 O CYS A 46 16.389 -8.006 3.487 1.00 0.00 O ATOM 731 CB CYS A 46 14.730 -6.279 2.069 1.00 0.00 C ATOM 732 SG CYS A 46 15.438 -7.168 0.646 1.00 0.00 S ATOM 0 H CYS A 46 14.405 -5.761 4.657 1.00 0.00 H new ATOM 0 HA CYS A 46 13.277 -7.713 2.742 1.00 0.00 H new ATOM 0 HB2 CYS A 46 13.948 -5.608 1.712 1.00 0.00 H new ATOM 0 HB3 CYS A 46 15.505 -5.656 2.517 1.00 0.00 H new ATOM 737 N PRO A 47 14.699 -9.395 4.028 1.00 0.00 N ATOM 738 CA PRO A 47 15.566 -10.491 4.470 1.00 0.00 C ATOM 739 C PRO A 47 16.310 -11.145 3.310 1.00 0.00 C ATOM 740 O PRO A 47 16.325 -10.623 2.195 1.00 0.00 O ATOM 741 CB PRO A 47 14.588 -11.483 5.104 1.00 0.00 C ATOM 742 CG PRO A 47 13.284 -11.207 4.440 1.00 0.00 C ATOM 743 CD PRO A 47 13.271 -9.731 4.152 1.00 0.00 C ATOM 0 HA PRO A 47 16.345 -10.146 5.150 1.00 0.00 H new ATOM 0 HB2 PRO A 47 14.906 -12.512 4.939 1.00 0.00 H new ATOM 0 HB3 PRO A 47 14.521 -11.339 6.182 1.00 0.00 H new ATOM 0 HG2 PRO A 47 13.184 -11.785 3.521 1.00 0.00 H new ATOM 0 HG3 PRO A 47 12.451 -11.486 5.085 1.00 0.00 H new ATOM 0 HD2 PRO A 47 12.724 -9.505 3.237 1.00 0.00 H new ATOM 0 HD3 PRO A 47 12.794 -9.169 4.955 1.00 0.00 H new ATOM 751 N LYS A 48 16.927 -12.290 3.579 1.00 0.00 N ATOM 752 CA LYS A 48 17.672 -13.017 2.558 1.00 0.00 C ATOM 753 C LYS A 48 17.256 -14.484 2.522 1.00 0.00 C ATOM 754 O LYS A 48 16.248 -14.868 3.114 1.00 0.00 O ATOM 755 CB LYS A 48 19.176 -12.909 2.822 1.00 0.00 C ATOM 756 CG LYS A 48 19.643 -13.712 4.023 1.00 0.00 C ATOM 757 CD LYS A 48 19.257 -13.038 5.329 1.00 0.00 C ATOM 758 CE LYS A 48 20.257 -13.347 6.432 1.00 0.00 C ATOM 759 NZ LYS A 48 19.959 -12.591 7.680 1.00 0.00 N ATOM 0 H LYS A 48 16.926 -12.735 4.497 1.00 0.00 H new ATOM 0 HA LYS A 48 17.445 -12.569 1.590 1.00 0.00 H new ATOM 0 HB2 LYS A 48 19.716 -13.247 1.938 1.00 0.00 H new ATOM 0 HB3 LYS A 48 19.435 -11.861 2.973 1.00 0.00 H new ATOM 0 HG2 LYS A 48 19.208 -14.711 3.985 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.725 -13.834 3.982 1.00 0.00 H new ATOM 0 HD2 LYS A 48 19.199 -11.960 5.180 1.00 0.00 H new ATOM 0 HD3 LYS A 48 18.265 -13.371 5.632 1.00 0.00 H new ATOM 0 HE2 LYS A 48 20.245 -14.416 6.644 1.00 0.00 H new ATOM 0 HE3 LYS A 48 21.262 -13.101 6.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 20.663 -12.830 8.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 19.995 -11.570 7.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.010 -12.845 8.021 1.00 0.00 H new ATOM 773 N ALA A 49 18.040 -15.300 1.824 1.00 0.00 N ATOM 774 CA ALA A 49 17.754 -16.725 1.714 1.00 0.00 C ATOM 775 C ALA A 49 19.002 -17.505 1.314 1.00 0.00 C ATOM 776 O ALA A 49 20.111 -16.972 1.327 1.00 0.00 O ATOM 777 CB ALA A 49 16.636 -16.963 0.711 1.00 0.00 C ATOM 0 H ALA A 49 18.878 -14.998 1.327 1.00 0.00 H new ATOM 0 HA ALA A 49 17.431 -17.083 2.692 1.00 0.00 H new ATOM 0 HB1 ALA A 49 16.433 -18.032 0.639 1.00 0.00 H new ATOM 0 HB2 ALA A 49 15.736 -16.444 1.040 1.00 0.00 H new ATOM 0 HB3 ALA A 49 16.937 -16.584 -0.266 1.00 0.00 H new ATOM 783 N LYS A 50 18.813 -18.772 0.959 1.00 0.00 N ATOM 784 CA LYS A 50 19.922 -19.627 0.554 1.00 0.00 C ATOM 785 C LYS A 50 20.434 -19.235 -0.829 1.00 0.00 C ATOM 786 O LYS A 50 19.734 -18.605 -1.621 1.00 0.00 O ATOM 787 CB LYS A 50 19.487 -21.094 0.551 1.00 0.00 C ATOM 788 CG LYS A 50 19.515 -21.739 1.925 1.00 0.00 C ATOM 789 CD LYS A 50 20.939 -21.968 2.405 1.00 0.00 C ATOM 790 CE LYS A 50 21.533 -23.234 1.805 1.00 0.00 C ATOM 791 NZ LYS A 50 20.902 -24.461 2.364 1.00 0.00 N ATOM 0 H LYS A 50 17.901 -19.229 0.944 1.00 0.00 H new ATOM 0 HA LYS A 50 20.731 -19.496 1.273 1.00 0.00 H new ATOM 0 HB2 LYS A 50 18.477 -21.164 0.146 1.00 0.00 H new ATOM 0 HB3 LYS A 50 20.138 -21.656 -0.118 1.00 0.00 H new ATOM 0 HG2 LYS A 50 18.988 -21.104 2.637 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.984 -22.690 1.892 1.00 0.00 H new ATOM 0 HD2 LYS A 50 21.557 -21.112 2.135 1.00 0.00 H new ATOM 0 HD3 LYS A 50 20.950 -22.040 3.493 1.00 0.00 H new ATOM 0 HE2 LYS A 50 21.402 -23.219 0.723 1.00 0.00 H new ATOM 0 HE3 LYS A 50 22.606 -23.258 1.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 21.521 -25.279 2.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 20.759 -24.343 3.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.984 -24.620 1.903 1.00 0.00 H new ATOM 805 N PRO A 51 21.685 -19.617 -1.127 1.00 0.00 N ATOM 806 CA PRO A 51 22.318 -19.317 -2.415 1.00 0.00 C ATOM 807 C PRO A 51 21.698 -20.107 -3.563 1.00 0.00 C ATOM 808 O PRO A 51 21.878 -19.766 -4.731 1.00 0.00 O ATOM 809 CB PRO A 51 23.774 -19.738 -2.201 1.00 0.00 C ATOM 810 CG PRO A 51 23.716 -20.770 -1.128 1.00 0.00 C ATOM 811 CD PRO A 51 22.578 -20.370 -0.231 1.00 0.00 C ATOM 0 HA PRO A 51 22.199 -18.270 -2.694 1.00 0.00 H new ATOM 0 HB2 PRO A 51 24.208 -20.142 -3.116 1.00 0.00 H new ATOM 0 HB3 PRO A 51 24.391 -18.891 -1.902 1.00 0.00 H new ATOM 0 HG2 PRO A 51 23.551 -21.762 -1.549 1.00 0.00 H new ATOM 0 HG3 PRO A 51 24.654 -20.810 -0.574 1.00 0.00 H new ATOM 0 HD2 PRO A 51 22.078 -21.240 0.196 1.00 0.00 H new ATOM 0 HD3 PRO A 51 22.920 -19.757 0.603 1.00 0.00 H new ATOM 819 N ASN A 52 20.968 -21.163 -3.222 1.00 0.00 N ATOM 820 CA ASN A 52 20.321 -22.002 -4.225 1.00 0.00 C ATOM 821 C ASN A 52 19.004 -21.384 -4.683 1.00 0.00 C ATOM 822 O ASN A 52 18.741 -21.276 -5.881 1.00 0.00 O ATOM 823 CB ASN A 52 20.072 -23.404 -3.664 1.00 0.00 C ATOM 824 CG ASN A 52 21.358 -24.112 -3.286 1.00 0.00 C ATOM 825 OD1 ASN A 52 22.019 -24.716 -4.132 1.00 0.00 O ATOM 826 ND2 ASN A 52 21.720 -24.042 -2.011 1.00 0.00 N ATOM 0 H ASN A 52 20.809 -21.459 -2.259 1.00 0.00 H new ATOM 0 HA ASN A 52 20.986 -22.075 -5.085 1.00 0.00 H new ATOM 0 HB2 ASN A 52 19.429 -23.332 -2.787 1.00 0.00 H new ATOM 0 HB3 ASN A 52 19.537 -23.999 -4.404 1.00 0.00 H new ATOM 0 HD21 ASN A 52 22.576 -24.500 -1.698 1.00 0.00 H new ATOM 0 HD22 ASN A 52 21.142 -23.531 -1.344 1.00 0.00 H new ATOM 833 N GLU A 53 18.180 -20.980 -3.722 1.00 0.00 N ATOM 834 CA GLU A 53 16.889 -20.373 -4.027 1.00 0.00 C ATOM 835 C GLU A 53 17.063 -18.927 -4.483 1.00 0.00 C ATOM 836 O GLU A 53 18.173 -18.393 -4.486 1.00 0.00 O ATOM 837 CB GLU A 53 15.972 -20.427 -2.804 1.00 0.00 C ATOM 838 CG GLU A 53 16.283 -19.365 -1.763 1.00 0.00 C ATOM 839 CD GLU A 53 15.459 -19.528 -0.500 1.00 0.00 C ATOM 840 OE1 GLU A 53 14.337 -18.981 -0.450 1.00 0.00 O ATOM 841 OE2 GLU A 53 15.935 -20.200 0.438 1.00 0.00 O ATOM 0 H GLU A 53 18.383 -21.062 -2.726 1.00 0.00 H new ATOM 0 HA GLU A 53 16.432 -20.940 -4.838 1.00 0.00 H new ATOM 0 HB2 GLU A 53 14.938 -20.312 -3.130 1.00 0.00 H new ATOM 0 HB3 GLU A 53 16.053 -21.411 -2.342 1.00 0.00 H new ATOM 0 HG2 GLU A 53 17.342 -19.409 -1.510 1.00 0.00 H new ATOM 0 HG3 GLU A 53 16.098 -18.379 -2.189 1.00 0.00 H new ATOM 848 N THR A 54 15.957 -18.297 -4.867 1.00 0.00 N ATOM 849 CA THR A 54 15.985 -16.914 -5.326 1.00 0.00 C ATOM 850 C THR A 54 14.946 -16.071 -4.596 1.00 0.00 C ATOM 851 O THR A 54 13.839 -16.534 -4.319 1.00 0.00 O ATOM 852 CB THR A 54 15.732 -16.820 -6.843 1.00 0.00 C ATOM 853 OG1 THR A 54 16.650 -17.665 -7.545 1.00 0.00 O ATOM 854 CG2 THR A 54 15.883 -15.386 -7.328 1.00 0.00 C ATOM 0 H THR A 54 15.030 -18.723 -4.869 1.00 0.00 H new ATOM 0 HA THR A 54 16.981 -16.529 -5.107 1.00 0.00 H new ATOM 0 HB THR A 54 14.712 -17.149 -7.041 1.00 0.00 H new ATOM 0 HG1 THR A 54 16.482 -17.601 -8.508 1.00 0.00 H new ATOM 0 HG21 THR A 54 15.700 -15.344 -8.402 1.00 0.00 H new ATOM 0 HG22 THR A 54 15.164 -14.750 -6.812 1.00 0.00 H new ATOM 0 HG23 THR A 54 16.894 -15.035 -7.118 1.00 0.00 H new ATOM 862 N VAL A 55 15.308 -14.830 -4.286 1.00 0.00 N ATOM 863 CA VAL A 55 14.406 -13.921 -3.590 1.00 0.00 C ATOM 864 C VAL A 55 14.461 -12.522 -4.193 1.00 0.00 C ATOM 865 O VAL A 55 15.538 -12.007 -4.493 1.00 0.00 O ATOM 866 CB VAL A 55 14.744 -13.835 -2.090 1.00 0.00 C ATOM 867 CG1 VAL A 55 13.806 -12.867 -1.385 1.00 0.00 C ATOM 868 CG2 VAL A 55 14.681 -15.213 -1.449 1.00 0.00 C ATOM 0 H VAL A 55 16.221 -14.431 -4.506 1.00 0.00 H new ATOM 0 HA VAL A 55 13.400 -14.324 -3.706 1.00 0.00 H new ATOM 0 HB VAL A 55 15.761 -13.458 -1.987 1.00 0.00 H new ATOM 0 HG11 VAL A 55 14.060 -12.820 -0.326 1.00 0.00 H new ATOM 0 HG12 VAL A 55 13.907 -11.876 -1.827 1.00 0.00 H new ATOM 0 HG13 VAL A 55 12.778 -13.211 -1.496 1.00 0.00 H new ATOM 0 HG21 VAL A 55 14.923 -15.133 -0.389 1.00 0.00 H new ATOM 0 HG22 VAL A 55 13.677 -15.621 -1.562 1.00 0.00 H new ATOM 0 HG23 VAL A 55 15.398 -15.874 -1.936 1.00 0.00 H new ATOM 878 N GLN A 56 13.293 -11.913 -4.369 1.00 0.00 N ATOM 879 CA GLN A 56 13.209 -10.573 -4.937 1.00 0.00 C ATOM 880 C GLN A 56 12.333 -9.670 -4.074 1.00 0.00 C ATOM 881 O GLN A 56 11.108 -9.796 -4.069 1.00 0.00 O ATOM 882 CB GLN A 56 12.652 -10.634 -6.360 1.00 0.00 C ATOM 883 CG GLN A 56 13.464 -11.517 -7.294 1.00 0.00 C ATOM 884 CD GLN A 56 12.594 -12.419 -8.147 1.00 0.00 C ATOM 885 OE1 GLN A 56 12.610 -12.334 -9.376 1.00 0.00 O ATOM 886 NE2 GLN A 56 11.829 -13.289 -7.499 1.00 0.00 N ATOM 0 H GLN A 56 12.392 -12.326 -4.127 1.00 0.00 H new ATOM 0 HA GLN A 56 14.215 -10.154 -4.965 1.00 0.00 H new ATOM 0 HB2 GLN A 56 11.627 -11.003 -6.324 1.00 0.00 H new ATOM 0 HB3 GLN A 56 12.613 -9.625 -6.770 1.00 0.00 H new ATOM 0 HG2 GLN A 56 14.075 -10.889 -7.942 1.00 0.00 H new ATOM 0 HG3 GLN A 56 14.148 -12.129 -6.706 1.00 0.00 H new ATOM 0 HE21 GLN A 56 11.848 -13.325 -6.480 1.00 0.00 H new ATOM 0 HE22 GLN A 56 11.222 -13.922 -8.020 1.00 0.00 H new ATOM 895 N CYS A 57 12.969 -8.758 -3.346 1.00 0.00 N ATOM 896 CA CYS A 57 12.249 -7.834 -2.478 1.00 0.00 C ATOM 897 C CYS A 57 12.248 -6.425 -3.065 1.00 0.00 C ATOM 898 O CYS A 57 13.219 -6.003 -3.694 1.00 0.00 O ATOM 899 CB CYS A 57 12.878 -7.817 -1.083 1.00 0.00 C ATOM 900 SG CYS A 57 14.439 -6.883 -0.983 1.00 0.00 S ATOM 0 H CYS A 57 13.982 -8.639 -3.340 1.00 0.00 H new ATOM 0 HA CYS A 57 11.217 -8.177 -2.400 1.00 0.00 H new ATOM 0 HB2 CYS A 57 12.164 -7.388 -0.380 1.00 0.00 H new ATOM 0 HB3 CYS A 57 13.060 -8.844 -0.766 1.00 0.00 H new ATOM 905 N CYS A 58 11.153 -5.703 -2.855 1.00 0.00 N ATOM 906 CA CYS A 58 11.024 -4.343 -3.362 1.00 0.00 C ATOM 907 C CYS A 58 10.222 -3.476 -2.396 1.00 0.00 C ATOM 908 O CYS A 58 9.324 -3.961 -1.709 1.00 0.00 O ATOM 909 CB CYS A 58 10.352 -4.350 -4.736 1.00 0.00 C ATOM 910 SG CYS A 58 11.480 -3.980 -6.118 1.00 0.00 S ATOM 0 H CYS A 58 10.341 -6.038 -2.336 1.00 0.00 H new ATOM 0 HA CYS A 58 12.025 -3.921 -3.456 1.00 0.00 H new ATOM 0 HB2 CYS A 58 9.900 -5.328 -4.902 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.543 -3.620 -4.736 1.00 0.00 H new ATOM 915 N SER A 59 10.554 -2.189 -2.349 1.00 0.00 N ATOM 916 CA SER A 59 9.867 -1.255 -1.465 1.00 0.00 C ATOM 917 C SER A 59 9.457 0.006 -2.221 1.00 0.00 C ATOM 918 O SER A 59 9.464 1.106 -1.668 1.00 0.00 O ATOM 919 CB SER A 59 10.765 -0.885 -0.283 1.00 0.00 C ATOM 920 OG SER A 59 12.125 -0.820 -0.677 1.00 0.00 O ATOM 0 H SER A 59 11.294 -1.770 -2.912 1.00 0.00 H new ATOM 0 HA SER A 59 8.967 -1.742 -1.090 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.455 0.077 0.126 1.00 0.00 H new ATOM 0 HB3 SER A 59 10.648 -1.622 0.511 1.00 0.00 H new ATOM 0 HG SER A 59 12.678 -0.580 0.096 1.00 0.00 H new ATOM 926 N THR A 60 9.099 -0.163 -3.490 1.00 0.00 N ATOM 927 CA THR A 60 8.686 0.960 -4.323 1.00 0.00 C ATOM 928 C THR A 60 7.503 0.582 -5.207 1.00 0.00 C ATOM 929 O THR A 60 7.274 -0.595 -5.485 1.00 0.00 O ATOM 930 CB THR A 60 9.842 1.452 -5.215 1.00 0.00 C ATOM 931 OG1 THR A 60 10.968 0.578 -5.084 1.00 0.00 O ATOM 932 CG2 THR A 60 10.248 2.870 -4.840 1.00 0.00 C ATOM 0 H THR A 60 9.087 -1.066 -3.963 1.00 0.00 H new ATOM 0 HA THR A 60 8.390 1.763 -3.648 1.00 0.00 H new ATOM 0 HB THR A 60 9.500 1.450 -6.250 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.698 0.897 -5.655 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.066 3.196 -5.483 1.00 0.00 H new ATOM 0 HG22 THR A 60 9.396 3.538 -4.968 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.573 2.892 -3.800 1.00 0.00 H new ATOM 940 N ASP A 61 6.754 1.588 -5.646 1.00 0.00 N ATOM 941 CA ASP A 61 5.595 1.362 -6.501 1.00 0.00 C ATOM 942 C ASP A 61 6.017 0.781 -7.847 1.00 0.00 C ATOM 943 O ASP A 61 6.955 1.268 -8.478 1.00 0.00 O ATOM 944 CB ASP A 61 4.827 2.668 -6.712 1.00 0.00 C ATOM 945 CG ASP A 61 4.491 3.360 -5.406 1.00 0.00 C ATOM 946 OD1 ASP A 61 5.421 3.871 -4.748 1.00 0.00 O ATOM 947 OD2 ASP A 61 3.297 3.391 -5.042 1.00 0.00 O ATOM 0 H ASP A 61 6.929 2.568 -5.424 1.00 0.00 H new ATOM 0 HA ASP A 61 4.943 0.643 -6.005 1.00 0.00 H new ATOM 0 HB2 ASP A 61 5.421 3.339 -7.333 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.906 2.461 -7.257 1.00 0.00 H new ATOM 952 N LYS A 62 5.318 -0.262 -8.281 1.00 0.00 N ATOM 953 CA LYS A 62 5.619 -0.910 -9.552 1.00 0.00 C ATOM 954 C LYS A 62 7.042 -1.459 -9.559 1.00 0.00 C ATOM 955 O LYS A 62 7.606 -1.734 -10.619 1.00 0.00 O ATOM 956 CB LYS A 62 5.435 0.077 -10.707 1.00 0.00 C ATOM 957 CG LYS A 62 4.023 0.105 -11.265 1.00 0.00 C ATOM 958 CD LYS A 62 3.112 0.992 -10.433 1.00 0.00 C ATOM 959 CE LYS A 62 3.135 2.431 -10.923 1.00 0.00 C ATOM 960 NZ LYS A 62 4.272 3.197 -10.341 1.00 0.00 N ATOM 0 H LYS A 62 4.538 -0.677 -7.771 1.00 0.00 H new ATOM 0 HA LYS A 62 4.927 -1.742 -9.680 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.701 1.077 -10.365 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.128 -0.181 -11.508 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.044 0.466 -12.293 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.621 -0.908 -11.291 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.092 0.609 -10.475 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.423 0.957 -9.389 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.208 2.443 -12.011 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.196 2.919 -10.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.020 4.205 -10.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.478 2.840 -9.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.112 3.082 -10.943 1.00 0.00 H new ATOM 974 N CYS A 63 7.617 -1.616 -8.372 1.00 0.00 N ATOM 975 CA CYS A 63 8.974 -2.133 -8.241 1.00 0.00 C ATOM 976 C CYS A 63 8.974 -3.658 -8.205 1.00 0.00 C ATOM 977 O CYS A 63 9.719 -4.306 -8.939 1.00 0.00 O ATOM 978 CB CYS A 63 9.632 -1.582 -6.974 1.00 0.00 C ATOM 979 SG CYS A 63 11.354 -2.125 -6.735 1.00 0.00 S ATOM 0 H CYS A 63 7.164 -1.392 -7.486 1.00 0.00 H new ATOM 0 HA CYS A 63 9.545 -1.808 -9.110 1.00 0.00 H new ATOM 0 HB2 CYS A 63 9.607 -0.493 -7.009 1.00 0.00 H new ATOM 0 HB3 CYS A 63 9.043 -1.887 -6.109 1.00 0.00 H new ATOM 984 N ASN A 64 8.132 -4.224 -7.346 1.00 0.00 N ATOM 985 CA ASN A 64 8.035 -5.674 -7.214 1.00 0.00 C ATOM 986 C ASN A 64 7.874 -6.335 -8.580 1.00 0.00 C ATOM 987 O ASN A 64 6.832 -6.209 -9.224 1.00 0.00 O ATOM 988 CB ASN A 64 6.857 -6.046 -6.312 1.00 0.00 C ATOM 989 CG ASN A 64 7.120 -7.304 -5.507 1.00 0.00 C ATOM 990 OD1 ASN A 64 8.267 -7.719 -5.341 1.00 0.00 O ATOM 991 ND2 ASN A 64 6.056 -7.917 -5.003 1.00 0.00 N ATOM 0 H ASN A 64 7.508 -3.702 -6.731 1.00 0.00 H new ATOM 0 HA ASN A 64 8.958 -6.036 -6.762 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.648 -5.220 -5.632 1.00 0.00 H new ATOM 0 HB3 ASN A 64 5.966 -6.189 -6.923 1.00 0.00 H new ATOM 0 HD21 ASN A 64 6.171 -8.768 -4.453 1.00 0.00 H new ATOM 0 HD22 ASN A 64 5.124 -7.537 -5.166 1.00 0.00 H new ATOM 998 N LYS A 65 8.912 -7.040 -9.016 1.00 0.00 N ATOM 999 CA LYS A 65 8.886 -7.724 -10.304 1.00 0.00 C ATOM 1000 C LYS A 65 8.751 -9.231 -10.117 1.00 0.00 C ATOM 1001 O LYS A 65 7.762 -9.832 -10.538 1.00 0.00 O ATOM 1002 CB LYS A 65 10.157 -7.410 -11.096 1.00 0.00 C ATOM 1003 CG LYS A 65 10.336 -8.279 -12.328 1.00 0.00 C ATOM 1004 CD LYS A 65 11.532 -9.206 -12.188 1.00 0.00 C ATOM 1005 CE LYS A 65 11.197 -10.620 -12.637 1.00 0.00 C ATOM 1006 NZ LYS A 65 10.890 -10.682 -14.093 1.00 0.00 N ATOM 0 H LYS A 65 9.782 -7.153 -8.496 1.00 0.00 H new ATOM 0 HA LYS A 65 8.020 -7.366 -10.860 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.136 -6.363 -11.400 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.022 -7.536 -10.444 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.434 -8.869 -12.492 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.466 -7.645 -13.205 1.00 0.00 H new ATOM 0 HD2 LYS A 65 12.362 -8.822 -12.781 1.00 0.00 H new ATOM 0 HD3 LYS A 65 11.862 -9.222 -11.149 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.035 -11.280 -12.414 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.342 -10.988 -12.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.717 -11.669 -14.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.043 -10.113 -14.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.695 -10.307 -14.634 1.00 0.00 H new