USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 471 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 TRP N :NH3+ 151:sc= 0.454 (180deg=0.136) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl -122:sc= -0.366 (180deg=-0.52) USER MOD Single : A 8 THR OG1 : rot 64:sc= 0.974 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 164:sc= -0.0449 (180deg=-0.351) USER MOD Single : A 16 HIS : no HD1:sc= -0.0144 X(o=-0.014,f=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -39:sc= 0.429 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0.00172 USER MOD Single : A 34 GLN : amide:sc= 0.0961 K(o=0.096,f=-0.92) USER MOD Single : A 35 CYS SG : rot -81:sc= -5.34! USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.0915 F(o=-1.4,f=-0.091) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0.0794 X(o=0.079,f=0) USER MOD Single : A 54 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.36) USER MOD Single : A 55 HIS : no HD1:sc= -0.331 X(o=-0.33,f=-0.75) USER MOD Single : A 56 LYS NZ :NH3+ -150:sc= 0.642 (180deg=0.194) USER MOD Single : A 58 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0309) USER MOD Single : A 59 MET CE :methyl 178:sc= 0 (180deg=-0.00471) USER MOD Single : A 61 LYS NZ :NH3+ -110:sc= -0.251 (180deg=-1.88!) USER MOD Single : A 64 ASN : amide:sc= 0.184 X(o=0.18,f=-0.024) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 2.367 -0.049 -0.693 1.00 0.00 N ATOM 2 CA TRP A 1 3.246 -0.210 -1.869 1.00 0.00 C ATOM 3 C TRP A 1 3.150 -1.649 -2.404 1.00 0.00 C ATOM 4 O TRP A 1 3.709 -2.575 -1.817 1.00 0.00 O ATOM 5 CB TRP A 1 4.721 0.157 -1.539 1.00 0.00 C ATOM 6 CG TRP A 1 4.928 1.607 -1.160 1.00 0.00 C ATOM 7 CD1 TRP A 1 4.623 2.200 0.035 1.00 0.00 C ATOM 8 CD2 TRP A 1 5.496 2.643 -1.977 1.00 0.00 C ATOM 9 NE1 TRP A 1 4.953 3.529 0.003 1.00 0.00 N ATOM 10 CE2 TRP A 1 5.496 3.827 -1.215 1.00 0.00 C ATOM 11 CE3 TRP A 1 6.012 2.679 -3.276 1.00 0.00 C ATOM 12 CZ2 TRP A 1 5.987 5.032 -1.704 1.00 0.00 C ATOM 13 CZ3 TRP A 1 6.495 3.878 -3.766 1.00 0.00 C ATOM 14 CH2 TRP A 1 6.481 5.042 -2.978 1.00 0.00 C ATOM 0 H1 TRP A 1 2.760 0.679 -0.063 1.00 0.00 H new ATOM 0 H2 TRP A 1 1.418 0.240 -1.006 1.00 0.00 H new ATOM 0 H3 TRP A 1 2.303 -0.952 -0.181 1.00 0.00 H new ATOM 0 HA TRP A 1 2.906 0.480 -2.641 1.00 0.00 H new ATOM 0 HB2 TRP A 1 5.066 -0.474 -0.720 1.00 0.00 H new ATOM 0 HB3 TRP A 1 5.343 -0.074 -2.404 1.00 0.00 H new ATOM 0 HD1 TRP A 1 4.185 1.693 0.882 1.00 0.00 H new ATOM 0 HE1 TRP A 1 4.815 4.191 0.767 1.00 0.00 H new ATOM 0 HE3 TRP A 1 6.033 1.787 -3.885 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 5.978 5.927 -1.100 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 6.889 3.921 -4.770 1.00 0.00 H new ATOM 0 HH2 TRP A 1 6.869 5.963 -3.388 1.00 0.00 H new ATOM 25 N THR A 2 2.397 -1.819 -3.505 1.00 0.00 N ATOM 26 CA THR A 2 2.312 -3.086 -4.258 1.00 0.00 C ATOM 27 C THR A 2 3.658 -3.348 -4.978 1.00 0.00 C ATOM 28 O THR A 2 4.432 -2.416 -5.170 1.00 0.00 O ATOM 29 CB THR A 2 1.141 -3.010 -5.298 1.00 0.00 C ATOM 30 OG1 THR A 2 -0.005 -2.392 -4.683 1.00 0.00 O ATOM 31 CG2 THR A 2 0.742 -4.396 -5.852 1.00 0.00 C ATOM 0 H THR A 2 1.824 -1.074 -3.902 1.00 0.00 H new ATOM 0 HA THR A 2 2.112 -3.907 -3.570 1.00 0.00 H new ATOM 0 HB THR A 2 1.495 -2.416 -6.140 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.737 -2.342 -5.332 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.073 -4.281 -6.567 1.00 0.00 H new ATOM 0 HG22 THR A 2 1.599 -4.850 -6.349 1.00 0.00 H new ATOM 0 HG23 THR A 2 0.417 -5.036 -5.032 1.00 0.00 H new ATOM 39 N GLU A 3 3.907 -4.602 -5.391 1.00 0.00 N ATOM 40 CA GLU A 3 5.202 -5.046 -5.965 1.00 0.00 C ATOM 41 C GLU A 3 5.658 -4.153 -7.156 1.00 0.00 C ATOM 42 O GLU A 3 6.854 -3.891 -7.303 1.00 0.00 O ATOM 43 CB GLU A 3 5.104 -6.552 -6.373 1.00 0.00 C ATOM 44 CG GLU A 3 6.447 -7.316 -6.581 1.00 0.00 C ATOM 45 CD GLU A 3 7.194 -6.974 -7.885 1.00 0.00 C ATOM 46 OE1 GLU A 3 6.655 -7.243 -8.974 1.00 0.00 O ATOM 47 OE2 GLU A 3 8.321 -6.450 -7.839 1.00 0.00 O ATOM 0 H GLU A 3 3.213 -5.348 -5.338 1.00 0.00 H new ATOM 0 HA GLU A 3 5.971 -4.938 -5.200 1.00 0.00 H new ATOM 0 HB2 GLU A 3 4.532 -7.074 -5.606 1.00 0.00 H new ATOM 0 HB3 GLU A 3 4.531 -6.616 -7.298 1.00 0.00 H new ATOM 0 HG2 GLU A 3 7.103 -7.103 -5.737 1.00 0.00 H new ATOM 0 HG3 GLU A 3 6.245 -8.387 -6.566 1.00 0.00 H new ATOM 54 N GLU A 4 4.693 -3.670 -7.972 1.00 0.00 N ATOM 55 CA GLU A 4 4.976 -2.804 -9.147 1.00 0.00 C ATOM 56 C GLU A 4 5.672 -1.490 -8.724 1.00 0.00 C ATOM 57 O GLU A 4 6.784 -1.200 -9.168 1.00 0.00 O ATOM 58 CB GLU A 4 3.661 -2.478 -9.901 1.00 0.00 C ATOM 59 CG GLU A 4 2.928 -3.700 -10.473 1.00 0.00 C ATOM 60 CD GLU A 4 1.547 -3.351 -11.046 1.00 0.00 C ATOM 61 OE1 GLU A 4 1.442 -3.008 -12.241 1.00 0.00 O ATOM 62 OE2 GLU A 4 0.561 -3.385 -10.298 1.00 0.00 O ATOM 0 H GLU A 4 3.701 -3.866 -7.838 1.00 0.00 H new ATOM 0 HA GLU A 4 5.649 -3.351 -9.808 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.989 -1.954 -9.221 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.887 -1.792 -10.717 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.538 -4.150 -11.256 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.812 -4.448 -9.689 1.00 0.00 H new ATOM 69 N GLU A 5 5.011 -0.739 -7.822 1.00 0.00 N ATOM 70 CA GLU A 5 5.483 0.588 -7.346 1.00 0.00 C ATOM 71 C GLU A 5 6.677 0.442 -6.374 1.00 0.00 C ATOM 72 O GLU A 5 7.530 1.327 -6.296 1.00 0.00 O ATOM 73 CB GLU A 5 4.307 1.366 -6.693 1.00 0.00 C ATOM 74 CG GLU A 5 3.670 0.650 -5.486 1.00 0.00 C ATOM 75 CD GLU A 5 2.321 1.242 -5.045 1.00 0.00 C ATOM 76 OE1 GLU A 5 2.297 2.376 -4.559 1.00 0.00 O ATOM 77 OE2 GLU A 5 1.281 0.551 -5.152 1.00 0.00 O ATOM 0 H GLU A 5 4.131 -1.031 -7.398 1.00 0.00 H new ATOM 0 HA GLU A 5 5.839 1.160 -8.203 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.666 2.344 -6.373 1.00 0.00 H new ATOM 0 HB3 GLU A 5 3.538 1.539 -7.446 1.00 0.00 H new ATOM 0 HG2 GLU A 5 3.529 -0.402 -5.734 1.00 0.00 H new ATOM 0 HG3 GLU A 5 4.364 0.689 -4.646 1.00 0.00 H new ATOM 84 N MET A 6 6.696 -0.682 -5.631 1.00 0.00 N ATOM 85 CA MET A 6 7.823 -1.089 -4.763 1.00 0.00 C ATOM 86 C MET A 6 9.093 -1.273 -5.611 1.00 0.00 C ATOM 87 O MET A 6 10.175 -0.816 -5.239 1.00 0.00 O ATOM 88 CB MET A 6 7.471 -2.427 -4.042 1.00 0.00 C ATOM 89 CG MET A 6 8.608 -3.050 -3.206 1.00 0.00 C ATOM 90 SD MET A 6 8.981 -2.128 -1.700 1.00 0.00 S ATOM 91 CE MET A 6 7.488 -2.369 -0.741 1.00 0.00 C ATOM 0 H MET A 6 5.919 -1.343 -5.615 1.00 0.00 H new ATOM 0 HA MET A 6 8.001 -0.314 -4.017 1.00 0.00 H new ATOM 0 HB2 MET A 6 6.616 -2.253 -3.388 1.00 0.00 H new ATOM 0 HB3 MET A 6 7.156 -3.152 -4.793 1.00 0.00 H new ATOM 0 HG2 MET A 6 8.335 -4.071 -2.939 1.00 0.00 H new ATOM 0 HG3 MET A 6 9.508 -3.110 -3.818 1.00 0.00 H new ATOM 0 HE1 MET A 6 7.051 -1.400 -0.498 1.00 0.00 H new ATOM 0 HE2 MET A 6 6.774 -2.954 -1.321 1.00 0.00 H new ATOM 0 HE3 MET A 6 7.729 -2.900 0.180 1.00 0.00 H new ATOM 101 N GLY A 7 8.910 -1.934 -6.775 1.00 0.00 N ATOM 102 CA GLY A 7 9.985 -2.203 -7.722 1.00 0.00 C ATOM 103 C GLY A 7 10.422 -0.965 -8.491 1.00 0.00 C ATOM 104 O GLY A 7 11.569 -0.885 -8.926 1.00 0.00 O ATOM 0 H GLY A 7 8.003 -2.293 -7.074 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.841 -2.612 -7.185 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.658 -2.966 -8.428 1.00 0.00 H new ATOM 108 N THR A 8 9.490 -0.011 -8.679 1.00 0.00 N ATOM 109 CA THR A 8 9.782 1.282 -9.322 1.00 0.00 C ATOM 110 C THR A 8 10.665 2.141 -8.392 1.00 0.00 C ATOM 111 O THR A 8 11.629 2.772 -8.842 1.00 0.00 O ATOM 112 CB THR A 8 8.465 2.058 -9.663 1.00 0.00 C ATOM 113 OG1 THR A 8 7.566 1.208 -10.381 1.00 0.00 O ATOM 114 CG2 THR A 8 8.722 3.329 -10.501 1.00 0.00 C ATOM 0 H THR A 8 8.517 -0.115 -8.390 1.00 0.00 H new ATOM 0 HA THR A 8 10.312 1.084 -10.254 1.00 0.00 H new ATOM 0 HB THR A 8 8.029 2.364 -8.712 1.00 0.00 H new ATOM 0 HG1 THR A 8 7.303 0.455 -9.812 1.00 0.00 H new ATOM 0 HG21 THR A 8 7.774 3.826 -10.708 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.373 4.005 -9.947 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.200 3.054 -11.441 1.00 0.00 H new ATOM 122 N ALA A 9 10.320 2.130 -7.084 1.00 0.00 N ATOM 123 CA ALA A 9 11.085 2.839 -6.040 1.00 0.00 C ATOM 124 C ALA A 9 12.493 2.247 -5.947 1.00 0.00 C ATOM 125 O ALA A 9 13.486 2.955 -6.115 1.00 0.00 O ATOM 126 CB ALA A 9 10.350 2.745 -4.689 1.00 0.00 C ATOM 0 H ALA A 9 9.506 1.630 -6.726 1.00 0.00 H new ATOM 0 HA ALA A 9 11.171 3.894 -6.301 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.923 3.271 -3.926 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.363 3.199 -4.779 1.00 0.00 H new ATOM 0 HB3 ALA A 9 10.243 1.698 -4.405 1.00 0.00 H new ATOM 132 N LYS A 10 12.519 0.918 -5.758 1.00 0.00 N ATOM 133 CA LYS A 10 13.735 0.082 -5.730 1.00 0.00 C ATOM 134 C LYS A 10 14.648 0.359 -6.940 1.00 0.00 C ATOM 135 O LYS A 10 15.862 0.491 -6.775 1.00 0.00 O ATOM 136 CB LYS A 10 13.314 -1.412 -5.727 1.00 0.00 C ATOM 137 CG LYS A 10 14.456 -2.424 -5.976 1.00 0.00 C ATOM 138 CD LYS A 10 13.916 -3.827 -6.319 1.00 0.00 C ATOM 139 CE LYS A 10 15.010 -4.768 -6.840 1.00 0.00 C ATOM 140 NZ LYS A 10 14.437 -6.066 -7.273 1.00 0.00 N ATOM 0 H LYS A 10 11.667 0.376 -5.616 1.00 0.00 H new ATOM 0 HA LYS A 10 14.299 0.325 -4.830 1.00 0.00 H new ATOM 0 HB2 LYS A 10 12.853 -1.640 -4.766 1.00 0.00 H new ATOM 0 HB3 LYS A 10 12.549 -1.558 -6.490 1.00 0.00 H new ATOM 0 HG2 LYS A 10 15.085 -2.068 -6.792 1.00 0.00 H new ATOM 0 HG3 LYS A 10 15.087 -2.485 -5.089 1.00 0.00 H new ATOM 0 HD2 LYS A 10 13.459 -4.264 -5.431 1.00 0.00 H new ATOM 0 HD3 LYS A 10 13.131 -3.737 -7.070 1.00 0.00 H new ATOM 0 HE2 LYS A 10 15.529 -4.299 -7.676 1.00 0.00 H new ATOM 0 HE3 LYS A 10 15.751 -4.937 -6.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 15.199 -6.683 -7.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 13.962 -6.522 -6.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 13.748 -5.904 -8.035 1.00 0.00 H new ATOM 154 N LYS A 11 14.036 0.447 -8.146 1.00 0.00 N ATOM 155 CA LYS A 11 14.767 0.666 -9.411 1.00 0.00 C ATOM 156 C LYS A 11 15.497 2.013 -9.388 1.00 0.00 C ATOM 157 O LYS A 11 16.694 2.071 -9.663 1.00 0.00 O ATOM 158 CB LYS A 11 13.811 0.611 -10.639 1.00 0.00 C ATOM 159 CG LYS A 11 14.508 0.827 -12.005 1.00 0.00 C ATOM 160 CD LYS A 11 15.502 -0.305 -12.370 1.00 0.00 C ATOM 161 CE LYS A 11 14.798 -1.621 -12.735 1.00 0.00 C ATOM 162 NZ LYS A 11 13.893 -1.451 -13.905 1.00 0.00 N ATOM 0 H LYS A 11 13.026 0.368 -8.266 1.00 0.00 H new ATOM 0 HA LYS A 11 15.497 -0.137 -9.507 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.310 -0.357 -10.650 1.00 0.00 H new ATOM 0 HB3 LYS A 11 13.038 1.369 -10.516 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.750 0.901 -12.785 1.00 0.00 H new ATOM 0 HG3 LYS A 11 15.041 1.778 -11.987 1.00 0.00 H new ATOM 0 HD2 LYS A 11 16.119 0.016 -13.209 1.00 0.00 H new ATOM 0 HD3 LYS A 11 16.173 -0.478 -11.529 1.00 0.00 H new ATOM 0 HE2 LYS A 11 15.544 -2.384 -12.959 1.00 0.00 H new ATOM 0 HE3 LYS A 11 14.225 -1.977 -11.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 13.647 -2.384 -14.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 13.026 -0.962 -13.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.373 -0.888 -14.636 1.00 0.00 H new ATOM 176 N GLY A 12 14.751 3.078 -9.039 1.00 0.00 N ATOM 177 CA GLY A 12 15.305 4.429 -8.965 1.00 0.00 C ATOM 178 C GLY A 12 16.384 4.583 -7.906 1.00 0.00 C ATOM 179 O GLY A 12 17.301 5.390 -8.048 1.00 0.00 O ATOM 0 H GLY A 12 13.760 3.021 -8.804 1.00 0.00 H new ATOM 0 HA2 GLY A 12 15.720 4.697 -9.937 1.00 0.00 H new ATOM 0 HA3 GLY A 12 14.499 5.133 -8.757 1.00 0.00 H new ATOM 183 N LEU A 13 16.259 3.812 -6.832 1.00 0.00 N ATOM 184 CA LEU A 13 17.211 3.809 -5.711 1.00 0.00 C ATOM 185 C LEU A 13 18.476 2.998 -6.071 1.00 0.00 C ATOM 186 O LEU A 13 19.580 3.346 -5.667 1.00 0.00 O ATOM 187 CB LEU A 13 16.482 3.254 -4.465 1.00 0.00 C ATOM 188 CG LEU A 13 15.325 4.169 -3.929 1.00 0.00 C ATOM 189 CD1 LEU A 13 14.424 3.447 -2.900 1.00 0.00 C ATOM 190 CD2 LEU A 13 15.900 5.481 -3.359 1.00 0.00 C ATOM 0 H LEU A 13 15.485 3.160 -6.707 1.00 0.00 H new ATOM 0 HA LEU A 13 17.555 4.820 -5.494 1.00 0.00 H new ATOM 0 HB2 LEU A 13 16.071 2.274 -4.706 1.00 0.00 H new ATOM 0 HB3 LEU A 13 17.211 3.107 -3.668 1.00 0.00 H new ATOM 0 HG LEU A 13 14.682 4.411 -4.775 1.00 0.00 H new ATOM 0 HD11 LEU A 13 13.641 4.126 -2.563 1.00 0.00 H new ATOM 0 HD12 LEU A 13 13.970 2.572 -3.365 1.00 0.00 H new ATOM 0 HD13 LEU A 13 15.025 3.134 -2.046 1.00 0.00 H new ATOM 0 HD21 LEU A 13 15.086 6.105 -2.991 1.00 0.00 H new ATOM 0 HD22 LEU A 13 16.582 5.254 -2.540 1.00 0.00 H new ATOM 0 HD23 LEU A 13 16.439 6.013 -4.143 1.00 0.00 H new ATOM 202 N LEU A 14 18.291 1.942 -6.868 1.00 0.00 N ATOM 203 CA LEU A 14 19.393 1.098 -7.371 1.00 0.00 C ATOM 204 C LEU A 14 20.123 1.833 -8.522 1.00 0.00 C ATOM 205 O LEU A 14 21.302 1.593 -8.780 1.00 0.00 O ATOM 206 CB LEU A 14 18.819 -0.291 -7.810 1.00 0.00 C ATOM 207 CG LEU A 14 19.832 -1.493 -7.932 1.00 0.00 C ATOM 208 CD1 LEU A 14 19.108 -2.852 -7.746 1.00 0.00 C ATOM 209 CD2 LEU A 14 20.614 -1.477 -9.272 1.00 0.00 C ATOM 0 H LEU A 14 17.370 1.642 -7.188 1.00 0.00 H new ATOM 0 HA LEU A 14 20.129 0.915 -6.588 1.00 0.00 H new ATOM 0 HB2 LEU A 14 18.045 -0.575 -7.097 1.00 0.00 H new ATOM 0 HB3 LEU A 14 18.331 -0.163 -8.776 1.00 0.00 H new ATOM 0 HG LEU A 14 20.560 -1.368 -7.130 1.00 0.00 H new ATOM 0 HD11 LEU A 14 19.830 -3.664 -7.835 1.00 0.00 H new ATOM 0 HD12 LEU A 14 18.644 -2.885 -6.760 1.00 0.00 H new ATOM 0 HD13 LEU A 14 18.341 -2.963 -8.512 1.00 0.00 H new ATOM 0 HD21 LEU A 14 21.297 -2.326 -9.305 1.00 0.00 H new ATOM 0 HD22 LEU A 14 19.912 -1.544 -10.104 1.00 0.00 H new ATOM 0 HD23 LEU A 14 21.182 -0.550 -9.351 1.00 0.00 H new ATOM 221 N GLU A 15 19.398 2.732 -9.204 1.00 0.00 N ATOM 222 CA GLU A 15 19.912 3.470 -10.376 1.00 0.00 C ATOM 223 C GLU A 15 20.570 4.805 -9.969 1.00 0.00 C ATOM 224 O GLU A 15 21.772 5.008 -10.178 1.00 0.00 O ATOM 225 CB GLU A 15 18.755 3.735 -11.378 1.00 0.00 C ATOM 226 CG GLU A 15 19.191 4.295 -12.749 1.00 0.00 C ATOM 227 CD GLU A 15 20.013 3.288 -13.567 1.00 0.00 C ATOM 228 OE1 GLU A 15 19.416 2.416 -14.231 1.00 0.00 O ATOM 229 OE2 GLU A 15 21.256 3.347 -13.541 1.00 0.00 O ATOM 0 H GLU A 15 18.437 2.971 -8.961 1.00 0.00 H new ATOM 0 HA GLU A 15 20.677 2.854 -10.849 1.00 0.00 H new ATOM 0 HB2 GLU A 15 18.214 2.803 -11.539 1.00 0.00 H new ATOM 0 HB3 GLU A 15 18.054 4.435 -10.923 1.00 0.00 H new ATOM 0 HG2 GLU A 15 18.306 4.582 -13.317 1.00 0.00 H new ATOM 0 HG3 GLU A 15 19.780 5.200 -12.597 1.00 0.00 H new ATOM 236 N HIS A 16 19.757 5.703 -9.391 1.00 0.00 N ATOM 237 CA HIS A 16 20.176 7.073 -9.017 1.00 0.00 C ATOM 238 C HIS A 16 20.900 7.058 -7.669 1.00 0.00 C ATOM 239 O HIS A 16 22.003 7.588 -7.546 1.00 0.00 O ATOM 240 CB HIS A 16 18.953 8.036 -8.957 1.00 0.00 C ATOM 241 CG HIS A 16 18.183 8.131 -10.244 1.00 0.00 C ATOM 242 ND1 HIS A 16 18.462 9.049 -11.232 1.00 0.00 N ATOM 243 CD2 HIS A 16 17.138 7.407 -10.699 1.00 0.00 C ATOM 244 CE1 HIS A 16 17.628 8.880 -12.236 1.00 0.00 C ATOM 245 NE2 HIS A 16 16.815 7.889 -11.941 1.00 0.00 N ATOM 0 H HIS A 16 18.782 5.502 -9.166 1.00 0.00 H new ATOM 0 HA HIS A 16 20.860 7.437 -9.784 1.00 0.00 H new ATOM 0 HB2 HIS A 16 18.280 7.702 -8.167 1.00 0.00 H new ATOM 0 HB3 HIS A 16 19.301 9.031 -8.680 1.00 0.00 H new ATOM 0 HD2 HIS A 16 16.647 6.597 -10.180 1.00 0.00 H new ATOM 0 HE1 HIS A 16 17.614 9.458 -13.148 1.00 0.00 H new ATOM 0 HE2 HIS A 16 16.067 7.537 -12.538 1.00 0.00 H new ATOM 254 N GLY A 17 20.260 6.433 -6.667 1.00 0.00 N ATOM 255 CA GLY A 17 20.841 6.287 -5.337 1.00 0.00 C ATOM 256 C GLY A 17 20.528 7.456 -4.404 1.00 0.00 C ATOM 257 O GLY A 17 21.240 8.463 -4.418 1.00 0.00 O ATOM 0 H GLY A 17 19.332 6.020 -6.762 1.00 0.00 H new ATOM 0 HA2 GLY A 17 20.473 5.365 -4.887 1.00 0.00 H new ATOM 0 HA3 GLY A 17 21.922 6.186 -5.430 1.00 0.00 H new ATOM 261 N ARG A 18 19.430 7.316 -3.620 1.00 0.00 N ATOM 262 CA ARG A 18 19.059 8.239 -2.502 1.00 0.00 C ATOM 263 C ARG A 18 18.649 9.657 -2.952 1.00 0.00 C ATOM 264 O ARG A 18 18.449 10.536 -2.105 1.00 0.00 O ATOM 265 CB ARG A 18 20.194 8.328 -1.435 1.00 0.00 C ATOM 266 CG ARG A 18 20.484 7.000 -0.717 1.00 0.00 C ATOM 267 CD ARG A 18 21.750 7.049 0.155 1.00 0.00 C ATOM 268 NE ARG A 18 21.621 7.946 1.309 1.00 0.00 N ATOM 269 CZ ARG A 18 22.625 8.287 2.129 1.00 0.00 C ATOM 270 NH1 ARG A 18 23.876 7.918 1.873 1.00 0.00 N ATOM 271 NH2 ARG A 18 22.374 9.023 3.195 1.00 0.00 N ATOM 0 H ARG A 18 18.765 6.552 -3.742 1.00 0.00 H new ATOM 0 HA ARG A 18 18.171 7.789 -2.058 1.00 0.00 H new ATOM 0 HB2 ARG A 18 21.107 8.674 -1.919 1.00 0.00 H new ATOM 0 HB3 ARG A 18 19.923 9.079 -0.693 1.00 0.00 H new ATOM 0 HG2 ARG A 18 19.630 6.738 -0.093 1.00 0.00 H new ATOM 0 HG3 ARG A 18 20.592 6.209 -1.459 1.00 0.00 H new ATOM 0 HD2 ARG A 18 21.980 6.044 0.508 1.00 0.00 H new ATOM 0 HD3 ARG A 18 22.592 7.372 -0.456 1.00 0.00 H new ATOM 0 HE ARG A 18 20.700 8.339 1.501 1.00 0.00 H new ATOM 0 HH11 ARG A 18 24.085 7.366 1.041 1.00 0.00 H new ATOM 0 HH12 ARG A 18 24.627 8.187 2.508 1.00 0.00 H new ATOM 0 HH21 ARG A 18 21.421 9.329 3.391 1.00 0.00 H new ATOM 0 HH22 ARG A 18 23.133 9.286 3.823 1.00 0.00 H new ATOM 285 N ASN A 19 18.513 9.885 -4.268 1.00 0.00 N ATOM 286 CA ASN A 19 18.083 11.193 -4.806 1.00 0.00 C ATOM 287 C ASN A 19 16.556 11.303 -4.682 1.00 0.00 C ATOM 288 O ASN A 19 15.842 11.134 -5.675 1.00 0.00 O ATOM 289 CB ASN A 19 18.547 11.368 -6.277 1.00 0.00 C ATOM 290 CG ASN A 19 20.065 11.326 -6.441 1.00 0.00 C ATOM 291 OD1 ASN A 19 20.648 10.269 -6.685 1.00 0.00 O ATOM 292 ND2 ASN A 19 20.718 12.471 -6.289 1.00 0.00 N ATOM 0 H ASN A 19 18.694 9.181 -4.983 1.00 0.00 H new ATOM 0 HA ASN A 19 18.546 11.995 -4.230 1.00 0.00 H new ATOM 0 HB2 ASN A 19 18.101 10.583 -6.887 1.00 0.00 H new ATOM 0 HB3 ASN A 19 18.174 12.319 -6.658 1.00 0.00 H new ATOM 0 HD21 ASN A 19 21.734 12.494 -6.374 1.00 0.00 H new ATOM 0 HD22 ASN A 19 20.204 13.329 -6.087 1.00 0.00 H new ATOM 299 N TRP A 20 16.080 11.582 -3.444 1.00 0.00 N ATOM 300 CA TRP A 20 14.647 11.526 -3.069 1.00 0.00 C ATOM 301 C TRP A 20 13.778 12.424 -3.970 1.00 0.00 C ATOM 302 O TRP A 20 12.598 12.149 -4.162 1.00 0.00 O ATOM 303 CB TRP A 20 14.425 11.950 -1.592 1.00 0.00 C ATOM 304 CG TRP A 20 15.366 11.348 -0.563 1.00 0.00 C ATOM 305 CD1 TRP A 20 16.068 12.040 0.389 1.00 0.00 C ATOM 306 CD2 TRP A 20 15.712 9.956 -0.368 1.00 0.00 C ATOM 307 NE1 TRP A 20 16.806 11.178 1.151 1.00 0.00 N ATOM 308 CE2 TRP A 20 16.610 9.902 0.709 1.00 0.00 C ATOM 309 CE3 TRP A 20 15.345 8.755 -0.987 1.00 0.00 C ATOM 310 CZ2 TRP A 20 17.158 8.711 1.167 1.00 0.00 C ATOM 311 CZ3 TRP A 20 15.888 7.572 -0.528 1.00 0.00 C ATOM 312 CH2 TRP A 20 16.779 7.559 0.543 1.00 0.00 C ATOM 0 H TRP A 20 16.687 11.855 -2.671 1.00 0.00 H new ATOM 0 HA TRP A 20 14.345 10.487 -3.201 1.00 0.00 H new ATOM 0 HB2 TRP A 20 14.505 13.035 -1.533 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.404 11.690 -1.313 1.00 0.00 H new ATOM 0 HD1 TRP A 20 16.042 13.112 0.519 1.00 0.00 H new ATOM 0 HE1 TRP A 20 17.409 11.447 1.929 1.00 0.00 H new ATOM 0 HE3 TRP A 20 14.647 8.754 -1.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 17.859 8.697 1.988 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 15.618 6.642 -1.006 1.00 0.00 H new ATOM 0 HH2 TRP A 20 17.178 6.616 0.887 1.00 0.00 H new ATOM 323 N SER A 21 14.386 13.509 -4.481 1.00 0.00 N ATOM 324 CA SER A 21 13.750 14.434 -5.435 1.00 0.00 C ATOM 325 C SER A 21 13.326 13.690 -6.718 1.00 0.00 C ATOM 326 O SER A 21 12.162 13.745 -7.131 1.00 0.00 O ATOM 327 CB SER A 21 14.743 15.573 -5.753 1.00 0.00 C ATOM 328 OG SER A 21 16.005 15.053 -6.153 1.00 0.00 O ATOM 0 H SER A 21 15.342 13.771 -4.241 1.00 0.00 H new ATOM 0 HA SER A 21 12.846 14.855 -4.994 1.00 0.00 H new ATOM 0 HB2 SER A 21 14.338 16.203 -6.545 1.00 0.00 H new ATOM 0 HB3 SER A 21 14.869 16.206 -4.875 1.00 0.00 H new ATOM 0 HG SER A 21 16.616 15.793 -6.351 1.00 0.00 H new ATOM 334 N ALA A 22 14.291 12.954 -7.300 1.00 0.00 N ATOM 335 CA ALA A 22 14.095 12.179 -8.538 1.00 0.00 C ATOM 336 C ALA A 22 13.144 10.990 -8.304 1.00 0.00 C ATOM 337 O ALA A 22 12.287 10.701 -9.148 1.00 0.00 O ATOM 338 CB ALA A 22 15.451 11.686 -9.081 1.00 0.00 C ATOM 0 H ALA A 22 15.235 12.880 -6.921 1.00 0.00 H new ATOM 0 HA ALA A 22 13.637 12.834 -9.279 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.291 11.115 -9.996 1.00 0.00 H new ATOM 0 HB2 ALA A 22 16.090 12.542 -9.295 1.00 0.00 H new ATOM 0 HB3 ALA A 22 15.932 11.051 -8.337 1.00 0.00 H new ATOM 344 N ILE A 23 13.296 10.324 -7.135 1.00 0.00 N ATOM 345 CA ILE A 23 12.528 9.100 -6.798 1.00 0.00 C ATOM 346 C ILE A 23 11.042 9.447 -6.593 1.00 0.00 C ATOM 347 O ILE A 23 10.165 8.728 -7.062 1.00 0.00 O ATOM 348 CB ILE A 23 13.057 8.371 -5.499 1.00 0.00 C ATOM 349 CG1 ILE A 23 14.616 8.256 -5.482 1.00 0.00 C ATOM 350 CG2 ILE A 23 12.393 6.972 -5.330 1.00 0.00 C ATOM 351 CD1 ILE A 23 15.232 7.572 -6.676 1.00 0.00 C ATOM 0 H ILE A 23 13.947 10.615 -6.406 1.00 0.00 H new ATOM 0 HA ILE A 23 12.658 8.419 -7.639 1.00 0.00 H new ATOM 0 HB ILE A 23 12.771 8.989 -4.648 1.00 0.00 H new ATOM 0 HG12 ILE A 23 15.036 9.259 -5.404 1.00 0.00 H new ATOM 0 HG13 ILE A 23 14.913 7.716 -4.583 1.00 0.00 H new ATOM 0 HG21 ILE A 23 12.776 6.494 -4.428 1.00 0.00 H new ATOM 0 HG22 ILE A 23 11.313 7.090 -5.247 1.00 0.00 H new ATOM 0 HG23 ILE A 23 12.625 6.352 -6.196 1.00 0.00 H new ATOM 0 HD11 ILE A 23 16.316 7.547 -6.562 1.00 0.00 H new ATOM 0 HD12 ILE A 23 14.851 6.553 -6.749 1.00 0.00 H new ATOM 0 HD13 ILE A 23 14.976 8.121 -7.582 1.00 0.00 H new ATOM 363 N ALA A 24 10.788 10.575 -5.906 1.00 0.00 N ATOM 364 CA ALA A 24 9.422 11.054 -5.602 1.00 0.00 C ATOM 365 C ALA A 24 8.653 11.409 -6.879 1.00 0.00 C ATOM 366 O ALA A 24 7.434 11.230 -6.950 1.00 0.00 O ATOM 367 CB ALA A 24 9.473 12.265 -4.667 1.00 0.00 C ATOM 0 H ALA A 24 11.523 11.183 -5.544 1.00 0.00 H new ATOM 0 HA ALA A 24 8.893 10.241 -5.104 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.459 12.604 -4.454 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.965 11.985 -3.735 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.032 13.070 -5.144 1.00 0.00 H new ATOM 373 N ARG A 25 9.383 11.922 -7.882 1.00 0.00 N ATOM 374 CA ARG A 25 8.815 12.252 -9.202 1.00 0.00 C ATOM 375 C ARG A 25 8.668 10.988 -10.070 1.00 0.00 C ATOM 376 O ARG A 25 7.837 10.949 -10.979 1.00 0.00 O ATOM 377 CB ARG A 25 9.676 13.322 -9.917 1.00 0.00 C ATOM 378 CG ARG A 25 9.780 14.656 -9.143 1.00 0.00 C ATOM 379 CD ARG A 25 10.531 15.733 -9.938 1.00 0.00 C ATOM 380 NE ARG A 25 9.797 16.135 -11.155 1.00 0.00 N ATOM 381 CZ ARG A 25 10.328 16.738 -12.225 1.00 0.00 C ATOM 382 NH1 ARG A 25 11.632 16.975 -12.303 1.00 0.00 N ATOM 383 NH2 ARG A 25 9.549 17.084 -13.231 1.00 0.00 N ATOM 0 H ARG A 25 10.381 12.120 -7.803 1.00 0.00 H new ATOM 0 HA ARG A 25 7.819 12.668 -9.049 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.679 12.924 -10.073 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.253 13.516 -10.903 1.00 0.00 H new ATOM 0 HG2 ARG A 25 8.779 15.015 -8.906 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.290 14.485 -8.195 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.690 16.606 -9.305 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.516 15.358 -10.216 1.00 0.00 H new ATOM 0 HE ARG A 25 8.797 15.935 -11.182 1.00 0.00 H new ATOM 0 HH11 ARG A 25 12.248 16.696 -11.539 1.00 0.00 H new ATOM 0 HH12 ARG A 25 12.018 17.436 -13.127 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.548 16.892 -13.191 1.00 0.00 H new ATOM 0 HH22 ARG A 25 9.947 17.544 -14.050 1.00 0.00 H new ATOM 397 N MET A 26 9.480 9.962 -9.776 1.00 0.00 N ATOM 398 CA MET A 26 9.451 8.673 -10.488 1.00 0.00 C ATOM 399 C MET A 26 8.205 7.861 -10.089 1.00 0.00 C ATOM 400 O MET A 26 7.412 7.461 -10.952 1.00 0.00 O ATOM 401 CB MET A 26 10.752 7.882 -10.181 1.00 0.00 C ATOM 402 CG MET A 26 10.874 6.527 -10.888 1.00 0.00 C ATOM 403 SD MET A 26 12.461 5.730 -10.555 1.00 0.00 S ATOM 404 CE MET A 26 12.360 4.270 -11.589 1.00 0.00 C ATOM 0 H MET A 26 10.179 10.002 -9.034 1.00 0.00 H new ATOM 0 HA MET A 26 9.396 8.857 -11.561 1.00 0.00 H new ATOM 0 HB2 MET A 26 11.607 8.498 -10.460 1.00 0.00 H new ATOM 0 HB3 MET A 26 10.814 7.719 -9.105 1.00 0.00 H new ATOM 0 HG2 MET A 26 10.065 5.874 -10.562 1.00 0.00 H new ATOM 0 HG3 MET A 26 10.757 6.667 -11.963 1.00 0.00 H new ATOM 0 HE1 MET A 26 13.273 3.685 -11.482 1.00 0.00 H new ATOM 0 HE2 MET A 26 11.505 3.667 -11.284 1.00 0.00 H new ATOM 0 HE3 MET A 26 12.240 4.569 -12.630 1.00 0.00 H new ATOM 414 N VAL A 27 8.041 7.622 -8.772 1.00 0.00 N ATOM 415 CA VAL A 27 6.934 6.805 -8.235 1.00 0.00 C ATOM 416 C VAL A 27 5.661 7.646 -8.018 1.00 0.00 C ATOM 417 O VAL A 27 4.574 7.263 -8.474 1.00 0.00 O ATOM 418 CB VAL A 27 7.349 6.057 -6.901 1.00 0.00 C ATOM 419 CG1 VAL A 27 8.469 5.031 -7.185 1.00 0.00 C ATOM 420 CG2 VAL A 27 7.789 7.030 -5.771 1.00 0.00 C ATOM 0 H VAL A 27 8.668 7.987 -8.055 1.00 0.00 H new ATOM 0 HA VAL A 27 6.710 6.046 -8.984 1.00 0.00 H new ATOM 0 HB VAL A 27 6.459 5.539 -6.544 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.743 4.526 -6.259 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.115 4.296 -7.908 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.341 5.546 -7.589 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.061 6.458 -4.884 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.648 7.611 -6.105 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.967 7.704 -5.530 1.00 0.00 H new ATOM 430 N GLY A 28 5.797 8.771 -7.301 1.00 0.00 N ATOM 431 CA GLY A 28 4.658 9.605 -6.921 1.00 0.00 C ATOM 432 C GLY A 28 4.241 10.585 -8.002 1.00 0.00 C ATOM 433 O GLY A 28 3.052 10.853 -8.161 1.00 0.00 O ATOM 0 H GLY A 28 6.696 9.123 -6.972 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.812 8.962 -6.678 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.908 10.159 -6.016 1.00 0.00 H new ATOM 437 N SER A 29 5.256 11.133 -8.718 1.00 0.00 N ATOM 438 CA SER A 29 5.124 12.347 -9.561 1.00 0.00 C ATOM 439 C SER A 29 4.787 13.576 -8.667 1.00 0.00 C ATOM 440 O SER A 29 4.308 14.610 -9.144 1.00 0.00 O ATOM 441 CB SER A 29 4.086 12.126 -10.706 1.00 0.00 C ATOM 442 OG SER A 29 4.032 13.226 -11.605 1.00 0.00 O ATOM 0 H SER A 29 6.197 10.740 -8.726 1.00 0.00 H new ATOM 0 HA SER A 29 6.075 12.551 -10.052 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.343 11.222 -11.257 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.099 11.965 -10.273 1.00 0.00 H new ATOM 0 HG SER A 29 4.103 14.064 -11.102 1.00 0.00 H new ATOM 448 N LYS A 30 5.114 13.457 -7.364 1.00 0.00 N ATOM 449 CA LYS A 30 4.724 14.412 -6.309 1.00 0.00 C ATOM 450 C LYS A 30 5.980 14.989 -5.624 1.00 0.00 C ATOM 451 O LYS A 30 7.105 14.832 -6.124 1.00 0.00 O ATOM 452 CB LYS A 30 3.819 13.672 -5.268 1.00 0.00 C ATOM 453 CG LYS A 30 2.486 13.112 -5.830 1.00 0.00 C ATOM 454 CD LYS A 30 1.741 12.213 -4.811 1.00 0.00 C ATOM 455 CE LYS A 30 0.459 11.568 -5.381 1.00 0.00 C ATOM 456 NZ LYS A 30 -0.592 12.576 -5.686 1.00 0.00 N ATOM 0 H LYS A 30 5.668 12.678 -7.009 1.00 0.00 H new ATOM 0 HA LYS A 30 4.168 15.241 -6.747 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.388 12.848 -4.837 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.591 14.361 -4.455 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.840 13.942 -6.117 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.690 12.538 -6.734 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.415 11.426 -4.472 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.481 12.808 -3.936 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.705 11.017 -6.289 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.069 10.845 -4.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.433 12.097 -6.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.847 13.085 -4.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.231 13.252 -6.390 1.00 0.00 H new ATOM 470 N THR A 31 5.757 15.644 -4.471 1.00 0.00 N ATOM 471 CA THR A 31 6.804 16.257 -3.638 1.00 0.00 C ATOM 472 C THR A 31 7.775 15.192 -3.049 1.00 0.00 C ATOM 473 O THR A 31 7.418 14.015 -2.930 1.00 0.00 O ATOM 474 CB THR A 31 6.109 17.086 -2.499 1.00 0.00 C ATOM 475 OG1 THR A 31 5.269 18.083 -3.103 1.00 0.00 O ATOM 476 CG2 THR A 31 7.090 17.777 -1.524 1.00 0.00 C ATOM 0 H THR A 31 4.821 15.764 -4.084 1.00 0.00 H new ATOM 0 HA THR A 31 7.414 16.916 -4.256 1.00 0.00 H new ATOM 0 HB THR A 31 5.538 16.375 -1.902 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.827 18.607 -2.402 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.527 18.327 -0.770 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.709 17.024 -1.037 1.00 0.00 H new ATOM 0 HG23 THR A 31 7.726 18.468 -2.077 1.00 0.00 H new ATOM 484 N VAL A 32 8.997 15.649 -2.684 1.00 0.00 N ATOM 485 CA VAL A 32 10.081 14.824 -2.081 1.00 0.00 C ATOM 486 C VAL A 32 9.585 13.961 -0.885 1.00 0.00 C ATOM 487 O VAL A 32 10.104 12.854 -0.649 1.00 0.00 O ATOM 488 CB VAL A 32 11.265 15.757 -1.621 1.00 0.00 C ATOM 489 CG1 VAL A 32 12.427 14.964 -0.959 1.00 0.00 C ATOM 490 CG2 VAL A 32 11.777 16.613 -2.810 1.00 0.00 C ATOM 0 H VAL A 32 9.267 16.626 -2.802 1.00 0.00 H new ATOM 0 HA VAL A 32 10.427 14.132 -2.849 1.00 0.00 H new ATOM 0 HB VAL A 32 10.870 16.424 -0.855 1.00 0.00 H new ATOM 0 HG11 VAL A 32 13.216 15.655 -0.661 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.054 14.438 -0.080 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.827 14.242 -1.671 1.00 0.00 H new ATOM 0 HG21 VAL A 32 12.594 17.251 -2.474 1.00 0.00 H new ATOM 0 HG22 VAL A 32 12.132 15.957 -3.604 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.964 17.233 -3.188 1.00 0.00 H new ATOM 500 N SER A 33 8.557 14.487 -0.180 1.00 0.00 N ATOM 501 CA SER A 33 7.892 13.845 0.977 1.00 0.00 C ATOM 502 C SER A 33 7.550 12.361 0.709 1.00 0.00 C ATOM 503 O SER A 33 7.890 11.496 1.511 1.00 0.00 O ATOM 504 CB SER A 33 6.598 14.629 1.312 1.00 0.00 C ATOM 505 OG SER A 33 6.868 16.008 1.466 1.00 0.00 O ATOM 0 H SER A 33 8.156 15.397 -0.407 1.00 0.00 H new ATOM 0 HA SER A 33 8.584 13.868 1.819 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.865 14.485 0.518 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.157 14.236 2.228 1.00 0.00 H new ATOM 0 HG SER A 33 6.037 16.483 1.675 1.00 0.00 H new ATOM 511 N GLN A 34 6.938 12.096 -0.466 1.00 0.00 N ATOM 512 CA GLN A 34 6.435 10.751 -0.860 1.00 0.00 C ATOM 513 C GLN A 34 7.555 9.690 -0.936 1.00 0.00 C ATOM 514 O GLN A 34 7.318 8.512 -0.630 1.00 0.00 O ATOM 515 CB GLN A 34 5.660 10.830 -2.211 1.00 0.00 C ATOM 516 CG GLN A 34 4.199 11.333 -2.086 1.00 0.00 C ATOM 517 CD GLN A 34 4.037 12.787 -1.589 1.00 0.00 C ATOM 518 OE1 GLN A 34 4.870 13.655 -1.845 1.00 0.00 O ATOM 519 NE2 GLN A 34 2.946 13.060 -0.886 1.00 0.00 N ATOM 0 H GLN A 34 6.776 12.810 -1.176 1.00 0.00 H new ATOM 0 HA GLN A 34 5.752 10.429 -0.074 1.00 0.00 H new ATOM 0 HB2 GLN A 34 6.202 11.491 -2.888 1.00 0.00 H new ATOM 0 HB3 GLN A 34 5.652 9.841 -2.669 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.718 11.245 -3.060 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.663 10.673 -1.405 1.00 0.00 H new ATOM 0 HE21 GLN A 34 2.270 12.323 -0.687 1.00 0.00 H new ATOM 0 HE22 GLN A 34 2.783 14.007 -0.545 1.00 0.00 H new ATOM 528 N CYS A 35 8.764 10.112 -1.328 1.00 0.00 N ATOM 529 CA CYS A 35 9.927 9.210 -1.395 1.00 0.00 C ATOM 530 C CYS A 35 10.457 8.905 0.013 1.00 0.00 C ATOM 531 O CYS A 35 10.873 7.778 0.308 1.00 0.00 O ATOM 532 CB CYS A 35 11.048 9.818 -2.241 1.00 0.00 C ATOM 533 SG CYS A 35 12.500 8.760 -2.342 1.00 0.00 S ATOM 0 H CYS A 35 8.965 11.073 -1.604 1.00 0.00 H new ATOM 0 HA CYS A 35 9.597 8.283 -1.864 1.00 0.00 H new ATOM 0 HB2 CYS A 35 10.674 10.010 -3.247 1.00 0.00 H new ATOM 0 HB3 CYS A 35 11.335 10.781 -1.818 1.00 0.00 H new ATOM 0 HG CYS A 35 13.222 8.910 -1.271 1.00 0.00 H new ATOM 539 N LYS A 36 10.422 9.933 0.882 1.00 0.00 N ATOM 540 CA LYS A 36 10.860 9.822 2.285 1.00 0.00 C ATOM 541 C LYS A 36 9.870 8.934 3.079 1.00 0.00 C ATOM 542 O LYS A 36 10.249 8.284 4.056 1.00 0.00 O ATOM 543 CB LYS A 36 10.978 11.234 2.921 1.00 0.00 C ATOM 544 CG LYS A 36 11.677 11.267 4.303 1.00 0.00 C ATOM 545 CD LYS A 36 11.675 12.673 4.946 1.00 0.00 C ATOM 546 CE LYS A 36 10.252 13.156 5.293 1.00 0.00 C ATOM 547 NZ LYS A 36 10.252 14.485 5.948 1.00 0.00 N ATOM 0 H LYS A 36 10.089 10.864 0.630 1.00 0.00 H new ATOM 0 HA LYS A 36 11.843 9.352 2.319 1.00 0.00 H new ATOM 0 HB2 LYS A 36 11.527 11.881 2.236 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.978 11.655 3.025 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.179 10.566 4.973 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.706 10.925 4.192 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.282 12.657 5.851 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.141 13.383 4.263 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.655 13.202 4.382 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.775 12.430 5.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.274 14.767 6.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.799 14.437 6.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.683 15.186 5.312 1.00 0.00 H new ATOM 561 N ASN A 37 8.592 8.924 2.629 1.00 0.00 N ATOM 562 CA ASN A 37 7.540 8.041 3.180 1.00 0.00 C ATOM 563 C ASN A 37 7.957 6.576 3.026 1.00 0.00 C ATOM 564 O ASN A 37 8.024 5.851 4.019 1.00 0.00 O ATOM 565 CB ASN A 37 6.171 8.301 2.481 1.00 0.00 C ATOM 566 CG ASN A 37 5.449 9.588 2.911 1.00 0.00 C ATOM 567 OD1 ASN A 37 6.171 10.590 3.392 1.00 0.00 O flip ATOM 568 ND2 ASN A 37 4.223 9.670 2.819 1.00 0.00 N flip ATOM 0 H ASN A 37 8.264 9.527 1.875 1.00 0.00 H new ATOM 0 HA ASN A 37 7.419 8.264 4.240 1.00 0.00 H new ATOM 0 HB2 ASN A 37 6.333 8.337 1.404 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.515 7.453 2.677 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.686 8.887 2.446 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.745 10.521 3.116 1.00 0.00 H new ATOM 575 N PHE A 38 8.301 6.181 1.779 1.00 0.00 N ATOM 576 CA PHE A 38 8.792 4.817 1.455 1.00 0.00 C ATOM 577 C PHE A 38 9.950 4.388 2.385 1.00 0.00 C ATOM 578 O PHE A 38 10.010 3.240 2.842 1.00 0.00 O ATOM 579 CB PHE A 38 9.281 4.774 -0.016 1.00 0.00 C ATOM 580 CG PHE A 38 9.766 3.396 -0.483 1.00 0.00 C ATOM 581 CD1 PHE A 38 8.858 2.356 -0.677 1.00 0.00 C ATOM 582 CD2 PHE A 38 11.122 3.133 -0.718 1.00 0.00 C ATOM 583 CE1 PHE A 38 9.278 1.109 -1.089 1.00 0.00 C ATOM 584 CE2 PHE A 38 11.543 1.876 -1.132 1.00 0.00 C ATOM 585 CZ PHE A 38 10.620 0.867 -1.317 1.00 0.00 C ATOM 0 H PHE A 38 8.247 6.797 0.968 1.00 0.00 H new ATOM 0 HA PHE A 38 7.963 4.124 1.601 1.00 0.00 H new ATOM 0 HB2 PHE A 38 8.468 5.099 -0.666 1.00 0.00 H new ATOM 0 HB3 PHE A 38 10.093 5.492 -0.137 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.807 2.530 -0.501 1.00 0.00 H new ATOM 0 HD2 PHE A 38 11.850 3.918 -0.575 1.00 0.00 H new ATOM 0 HE1 PHE A 38 8.556 0.319 -1.234 1.00 0.00 H new ATOM 0 HE2 PHE A 38 12.592 1.688 -1.309 1.00 0.00 H new ATOM 0 HZ PHE A 38 10.946 -0.111 -1.640 1.00 0.00 H new ATOM 595 N TYR A 39 10.840 5.355 2.668 1.00 0.00 N ATOM 596 CA TYR A 39 12.086 5.134 3.420 1.00 0.00 C ATOM 597 C TYR A 39 11.823 4.664 4.873 1.00 0.00 C ATOM 598 O TYR A 39 12.594 3.870 5.427 1.00 0.00 O ATOM 599 CB TYR A 39 12.929 6.434 3.406 1.00 0.00 C ATOM 600 CG TYR A 39 14.391 6.234 3.805 1.00 0.00 C ATOM 601 CD1 TYR A 39 15.245 5.506 2.993 1.00 0.00 C ATOM 602 CD2 TYR A 39 14.917 6.770 4.981 1.00 0.00 C ATOM 603 CE1 TYR A 39 16.569 5.328 3.329 1.00 0.00 C ATOM 604 CE2 TYR A 39 16.240 6.592 5.324 1.00 0.00 C ATOM 605 CZ TYR A 39 17.063 5.865 4.493 1.00 0.00 C ATOM 606 OH TYR A 39 18.394 5.692 4.814 1.00 0.00 O ATOM 0 H TYR A 39 10.712 6.324 2.377 1.00 0.00 H new ATOM 0 HA TYR A 39 12.638 4.332 2.931 1.00 0.00 H new ATOM 0 HB2 TYR A 39 12.892 6.867 2.407 1.00 0.00 H new ATOM 0 HB3 TYR A 39 12.474 7.157 4.084 1.00 0.00 H new ATOM 0 HD1 TYR A 39 14.866 5.070 2.080 1.00 0.00 H new ATOM 0 HD2 TYR A 39 14.273 7.337 5.637 1.00 0.00 H new ATOM 0 HE1 TYR A 39 17.220 4.765 2.676 1.00 0.00 H new ATOM 0 HE2 TYR A 39 16.628 7.019 6.237 1.00 0.00 H new ATOM 0 HH TYR A 39 18.585 6.134 5.668 1.00 0.00 H new ATOM 616 N PHE A 40 10.721 5.155 5.468 1.00 0.00 N ATOM 617 CA PHE A 40 10.347 4.855 6.871 1.00 0.00 C ATOM 618 C PHE A 40 9.072 3.981 6.956 1.00 0.00 C ATOM 619 O PHE A 40 8.556 3.738 8.052 1.00 0.00 O ATOM 620 CB PHE A 40 10.158 6.183 7.652 1.00 0.00 C ATOM 621 CG PHE A 40 11.438 7.017 7.779 1.00 0.00 C ATOM 622 CD1 PHE A 40 12.352 6.776 8.808 1.00 0.00 C ATOM 623 CD2 PHE A 40 11.731 8.032 6.869 1.00 0.00 C ATOM 624 CE1 PHE A 40 13.505 7.534 8.930 1.00 0.00 C ATOM 625 CE2 PHE A 40 12.883 8.789 6.992 1.00 0.00 C ATOM 626 CZ PHE A 40 13.771 8.536 8.021 1.00 0.00 C ATOM 0 H PHE A 40 10.061 5.772 4.994 1.00 0.00 H new ATOM 0 HA PHE A 40 11.155 4.280 7.323 1.00 0.00 H new ATOM 0 HB2 PHE A 40 9.395 6.781 7.154 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.784 5.956 8.650 1.00 0.00 H new ATOM 0 HD1 PHE A 40 12.157 5.987 9.519 1.00 0.00 H new ATOM 0 HD2 PHE A 40 11.049 8.230 6.056 1.00 0.00 H new ATOM 0 HE1 PHE A 40 14.196 7.340 9.737 1.00 0.00 H new ATOM 0 HE2 PHE A 40 13.088 9.578 6.284 1.00 0.00 H new ATOM 0 HZ PHE A 40 14.673 9.123 8.113 1.00 0.00 H new ATOM 770 N LEU A 48 16.476 -0.590 1.635 1.00 0.00 N ATOM 771 CA LEU A 48 17.262 0.421 0.902 1.00 0.00 C ATOM 772 C LEU A 48 18.764 0.327 1.226 1.00 0.00 C ATOM 773 O LEU A 48 19.593 0.587 0.357 1.00 0.00 O ATOM 774 CB LEU A 48 16.716 1.857 1.207 1.00 0.00 C ATOM 775 CG LEU A 48 17.271 3.047 0.337 1.00 0.00 C ATOM 776 CD1 LEU A 48 18.612 3.624 0.857 1.00 0.00 C ATOM 777 CD2 LEU A 48 17.397 2.622 -1.126 1.00 0.00 C ATOM 0 HA LEU A 48 17.150 0.220 -0.163 1.00 0.00 H new ATOM 0 HB2 LEU A 48 15.632 1.835 1.095 1.00 0.00 H new ATOM 0 HB3 LEU A 48 16.924 2.080 2.254 1.00 0.00 H new ATOM 0 HG LEU A 48 16.544 3.855 0.421 1.00 0.00 H new ATOM 0 HD11 LEU A 48 18.933 4.439 0.209 1.00 0.00 H new ATOM 0 HD12 LEU A 48 18.478 3.999 1.872 1.00 0.00 H new ATOM 0 HD13 LEU A 48 19.370 2.840 0.857 1.00 0.00 H new ATOM 0 HD21 LEU A 48 17.782 3.455 -1.715 1.00 0.00 H new ATOM 0 HD22 LEU A 48 18.081 1.777 -1.202 1.00 0.00 H new ATOM 0 HD23 LEU A 48 16.418 2.331 -1.506 1.00 0.00 H new ATOM 789 N ASP A 49 19.084 -0.038 2.473 1.00 0.00 N ATOM 790 CA ASP A 49 20.472 -0.145 2.967 1.00 0.00 C ATOM 791 C ASP A 49 21.362 -0.993 2.033 1.00 0.00 C ATOM 792 O ASP A 49 22.408 -0.521 1.565 1.00 0.00 O ATOM 793 CB ASP A 49 20.473 -0.732 4.397 1.00 0.00 C ATOM 794 CG ASP A 49 21.883 -0.955 4.980 1.00 0.00 C ATOM 795 OD1 ASP A 49 22.608 0.027 5.188 1.00 0.00 O ATOM 796 OD2 ASP A 49 22.268 -2.116 5.235 1.00 0.00 O ATOM 0 H ASP A 49 18.384 -0.271 3.178 1.00 0.00 H new ATOM 0 HA ASP A 49 20.897 0.859 2.984 1.00 0.00 H new ATOM 0 HB2 ASP A 49 19.920 -0.061 5.055 1.00 0.00 H new ATOM 0 HB3 ASP A 49 19.939 -1.682 4.389 1.00 0.00 H new ATOM 801 N GLU A 50 20.927 -2.238 1.753 1.00 0.00 N ATOM 802 CA GLU A 50 21.688 -3.155 0.884 1.00 0.00 C ATOM 803 C GLU A 50 21.394 -2.916 -0.611 1.00 0.00 C ATOM 804 O GLU A 50 22.210 -3.291 -1.444 1.00 0.00 O ATOM 805 CB GLU A 50 21.482 -4.637 1.276 1.00 0.00 C ATOM 806 CG GLU A 50 20.045 -5.160 1.182 1.00 0.00 C ATOM 807 CD GLU A 50 19.957 -6.650 1.551 1.00 0.00 C ATOM 808 OE1 GLU A 50 20.164 -6.984 2.742 1.00 0.00 O ATOM 809 OE2 GLU A 50 19.676 -7.492 0.655 1.00 0.00 O ATOM 0 H GLU A 50 20.057 -2.629 2.114 1.00 0.00 H new ATOM 0 HA GLU A 50 22.742 -2.927 1.043 1.00 0.00 H new ATOM 0 HB2 GLU A 50 22.115 -5.253 0.637 1.00 0.00 H new ATOM 0 HB3 GLU A 50 21.832 -4.774 2.299 1.00 0.00 H new ATOM 0 HG2 GLU A 50 19.403 -4.582 1.847 1.00 0.00 H new ATOM 0 HG3 GLU A 50 19.670 -5.013 0.169 1.00 0.00 H new ATOM 816 N ILE A 51 20.233 -2.298 -0.948 1.00 0.00 N ATOM 817 CA ILE A 51 19.927 -1.889 -2.349 1.00 0.00 C ATOM 818 C ILE A 51 20.927 -0.800 -2.810 1.00 0.00 C ATOM 819 O ILE A 51 21.383 -0.792 -3.957 1.00 0.00 O ATOM 820 CB ILE A 51 18.445 -1.355 -2.492 1.00 0.00 C ATOM 821 CG1 ILE A 51 17.415 -2.473 -2.129 1.00 0.00 C ATOM 822 CG2 ILE A 51 18.160 -0.785 -3.910 1.00 0.00 C ATOM 823 CD1 ILE A 51 15.956 -2.027 -2.128 1.00 0.00 C ATOM 0 H ILE A 51 19.498 -2.072 -0.278 1.00 0.00 H new ATOM 0 HA ILE A 51 20.026 -2.770 -2.983 1.00 0.00 H new ATOM 0 HB ILE A 51 18.332 -0.533 -1.786 1.00 0.00 H new ATOM 0 HG12 ILE A 51 17.528 -3.294 -2.837 1.00 0.00 H new ATOM 0 HG13 ILE A 51 17.660 -2.866 -1.142 1.00 0.00 H new ATOM 0 HG21 ILE A 51 17.130 -0.431 -3.960 1.00 0.00 H new ATOM 0 HG22 ILE A 51 18.839 0.043 -4.112 1.00 0.00 H new ATOM 0 HG23 ILE A 51 18.311 -1.567 -4.654 1.00 0.00 H new ATOM 0 HD11 ILE A 51 15.318 -2.871 -1.865 1.00 0.00 H new ATOM 0 HD12 ILE A 51 15.820 -1.228 -1.399 1.00 0.00 H new ATOM 0 HD13 ILE A 51 15.686 -1.663 -3.119 1.00 0.00 H new ATOM 835 N LEU A 52 21.268 0.104 -1.877 1.00 0.00 N ATOM 836 CA LEU A 52 22.220 1.202 -2.115 1.00 0.00 C ATOM 837 C LEU A 52 23.664 0.688 -2.020 1.00 0.00 C ATOM 838 O LEU A 52 24.562 1.235 -2.664 1.00 0.00 O ATOM 839 CB LEU A 52 21.974 2.389 -1.123 1.00 0.00 C ATOM 840 CG LEU A 52 21.742 3.773 -1.787 1.00 0.00 C ATOM 841 CD1 LEU A 52 22.957 4.231 -2.607 1.00 0.00 C ATOM 842 CD2 LEU A 52 20.461 3.764 -2.639 1.00 0.00 C ATOM 0 H LEU A 52 20.889 0.094 -0.930 1.00 0.00 H new ATOM 0 HA LEU A 52 22.059 1.582 -3.124 1.00 0.00 H new ATOM 0 HB2 LEU A 52 21.108 2.151 -0.506 1.00 0.00 H new ATOM 0 HB3 LEU A 52 22.831 2.465 -0.454 1.00 0.00 H new ATOM 0 HG LEU A 52 21.611 4.500 -0.986 1.00 0.00 H new ATOM 0 HD11 LEU A 52 22.749 5.204 -3.053 1.00 0.00 H new ATOM 0 HD12 LEU A 52 23.827 4.309 -1.955 1.00 0.00 H new ATOM 0 HD13 LEU A 52 23.158 3.506 -3.396 1.00 0.00 H new ATOM 0 HD21 LEU A 52 20.320 4.744 -3.094 1.00 0.00 H new ATOM 0 HD22 LEU A 52 20.550 3.010 -3.421 1.00 0.00 H new ATOM 0 HD23 LEU A 52 19.605 3.531 -2.006 1.00 0.00 H new ATOM 854 N GLN A 53 23.874 -0.352 -1.184 1.00 0.00 N ATOM 855 CA GLN A 53 25.149 -1.093 -1.133 1.00 0.00 C ATOM 856 C GLN A 53 25.439 -1.700 -2.515 1.00 0.00 C ATOM 857 O GLN A 53 26.571 -1.637 -2.996 1.00 0.00 O ATOM 858 CB GLN A 53 25.110 -2.195 -0.038 1.00 0.00 C ATOM 859 CG GLN A 53 26.333 -3.145 0.020 1.00 0.00 C ATOM 860 CD GLN A 53 27.662 -2.441 0.330 1.00 0.00 C ATOM 861 OE1 GLN A 53 28.036 -2.278 1.491 1.00 0.00 O ATOM 862 NE2 GLN A 53 28.392 -2.034 -0.703 1.00 0.00 N ATOM 0 H GLN A 53 23.170 -0.698 -0.532 1.00 0.00 H new ATOM 0 HA GLN A 53 25.951 -0.404 -0.871 1.00 0.00 H new ATOM 0 HB2 GLN A 53 25.006 -1.710 0.933 1.00 0.00 H new ATOM 0 HB3 GLN A 53 24.215 -2.798 -0.190 1.00 0.00 H new ATOM 0 HG2 GLN A 53 26.152 -3.906 0.779 1.00 0.00 H new ATOM 0 HG3 GLN A 53 26.423 -3.662 -0.935 1.00 0.00 H new ATOM 0 HE21 GLN A 53 28.056 -2.183 -1.655 1.00 0.00 H new ATOM 0 HE22 GLN A 53 29.288 -1.573 -0.544 1.00 0.00 H new ATOM 871 N GLN A 54 24.377 -2.242 -3.155 1.00 0.00 N ATOM 872 CA GLN A 54 24.455 -2.762 -4.529 1.00 0.00 C ATOM 873 C GLN A 54 24.805 -1.623 -5.501 1.00 0.00 C ATOM 874 O GLN A 54 25.801 -1.722 -6.200 1.00 0.00 O ATOM 875 CB GLN A 54 23.138 -3.471 -4.949 1.00 0.00 C ATOM 876 CG GLN A 54 22.840 -4.762 -4.161 1.00 0.00 C ATOM 877 CD GLN A 54 23.922 -5.838 -4.310 1.00 0.00 C ATOM 878 OE1 GLN A 54 24.577 -5.955 -5.349 1.00 0.00 O ATOM 879 NE2 GLN A 54 24.125 -6.626 -3.268 1.00 0.00 N ATOM 0 H GLN A 54 23.452 -2.328 -2.733 1.00 0.00 H new ATOM 0 HA GLN A 54 25.246 -3.511 -4.566 1.00 0.00 H new ATOM 0 HB2 GLN A 54 22.307 -2.778 -4.818 1.00 0.00 H new ATOM 0 HB3 GLN A 54 23.189 -3.710 -6.011 1.00 0.00 H new ATOM 0 HG2 GLN A 54 22.728 -4.515 -3.105 1.00 0.00 H new ATOM 0 HG3 GLN A 54 21.886 -5.170 -4.496 1.00 0.00 H new ATOM 0 HE21 GLN A 54 23.568 -6.506 -2.422 1.00 0.00 H new ATOM 0 HE22 GLN A 54 24.838 -7.354 -3.310 1.00 0.00 H new ATOM 888 N HIS A 55 24.019 -0.516 -5.473 1.00 0.00 N ATOM 889 CA HIS A 55 24.252 0.677 -6.339 1.00 0.00 C ATOM 890 C HIS A 55 25.717 1.164 -6.245 1.00 0.00 C ATOM 891 O HIS A 55 26.321 1.550 -7.256 1.00 0.00 O ATOM 892 CB HIS A 55 23.279 1.825 -5.947 1.00 0.00 C ATOM 893 CG HIS A 55 23.533 3.129 -6.665 1.00 0.00 C ATOM 894 ND1 HIS A 55 23.874 4.291 -6.010 1.00 0.00 N ATOM 895 CD2 HIS A 55 23.525 3.440 -7.980 1.00 0.00 C ATOM 896 CE1 HIS A 55 24.043 5.256 -6.890 1.00 0.00 C ATOM 897 NE2 HIS A 55 23.849 4.765 -8.092 1.00 0.00 N ATOM 0 H HIS A 55 23.212 -0.422 -4.856 1.00 0.00 H new ATOM 0 HA HIS A 55 24.061 0.384 -7.371 1.00 0.00 H new ATOM 0 HB2 HIS A 55 22.257 1.505 -6.151 1.00 0.00 H new ATOM 0 HB3 HIS A 55 23.351 1.995 -4.873 1.00 0.00 H new ATOM 0 HD2 HIS A 55 23.303 2.766 -8.794 1.00 0.00 H new ATOM 0 HE1 HIS A 55 24.298 6.280 -6.661 1.00 0.00 H new ATOM 0 HE2 HIS A 55 23.927 5.285 -8.966 1.00 0.00 H new ATOM 906 N LYS A 56 26.273 1.095 -5.026 1.00 0.00 N ATOM 907 CA LYS A 56 27.661 1.469 -4.745 1.00 0.00 C ATOM 908 C LYS A 56 28.627 0.486 -5.431 1.00 0.00 C ATOM 909 O LYS A 56 29.356 0.876 -6.341 1.00 0.00 O ATOM 910 CB LYS A 56 27.919 1.493 -3.215 1.00 0.00 C ATOM 911 CG LYS A 56 29.369 1.860 -2.803 1.00 0.00 C ATOM 912 CD LYS A 56 29.599 1.771 -1.276 1.00 0.00 C ATOM 913 CE LYS A 56 31.026 2.187 -0.862 1.00 0.00 C ATOM 914 NZ LYS A 56 32.069 1.353 -1.509 1.00 0.00 N ATOM 0 H LYS A 56 25.764 0.775 -4.202 1.00 0.00 H new ATOM 0 HA LYS A 56 27.836 2.469 -5.142 1.00 0.00 H new ATOM 0 HB2 LYS A 56 27.235 2.207 -2.757 1.00 0.00 H new ATOM 0 HB3 LYS A 56 27.677 0.512 -2.805 1.00 0.00 H new ATOM 0 HG2 LYS A 56 30.066 1.193 -3.310 1.00 0.00 H new ATOM 0 HG3 LYS A 56 29.593 2.872 -3.141 1.00 0.00 H new ATOM 0 HD2 LYS A 56 28.877 2.409 -0.766 1.00 0.00 H new ATOM 0 HD3 LYS A 56 29.412 0.750 -0.944 1.00 0.00 H new ATOM 0 HE2 LYS A 56 31.187 3.233 -1.124 1.00 0.00 H new ATOM 0 HE3 LYS A 56 31.124 2.111 0.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 32.898 1.289 -0.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 31.692 0.400 -1.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 32.348 1.786 -2.413 1.00 0.00 H new ATOM 928 N LEU A 57 28.555 -0.803 -5.031 1.00 0.00 N ATOM 929 CA LEU A 57 29.572 -1.812 -5.397 1.00 0.00 C ATOM 930 C LEU A 57 29.548 -2.145 -6.898 1.00 0.00 C ATOM 931 O LEU A 57 30.591 -2.411 -7.469 1.00 0.00 O ATOM 932 CB LEU A 57 29.437 -3.095 -4.500 1.00 0.00 C ATOM 933 CG LEU A 57 28.117 -3.966 -4.604 1.00 0.00 C ATOM 934 CD1 LEU A 57 28.138 -4.972 -5.781 1.00 0.00 C ATOM 935 CD2 LEU A 57 27.816 -4.687 -3.267 1.00 0.00 C ATOM 0 H LEU A 57 27.799 -1.169 -4.452 1.00 0.00 H new ATOM 0 HA LEU A 57 30.552 -1.377 -5.201 1.00 0.00 H new ATOM 0 HB2 LEU A 57 30.281 -3.747 -4.727 1.00 0.00 H new ATOM 0 HB3 LEU A 57 29.546 -2.784 -3.461 1.00 0.00 H new ATOM 0 HG LEU A 57 27.309 -3.265 -4.813 1.00 0.00 H new ATOM 0 HD11 LEU A 57 27.205 -5.536 -5.795 1.00 0.00 H new ATOM 0 HD12 LEU A 57 28.248 -4.431 -6.721 1.00 0.00 H new ATOM 0 HD13 LEU A 57 28.975 -5.659 -5.658 1.00 0.00 H new ATOM 0 HD21 LEU A 57 26.905 -5.277 -3.369 1.00 0.00 H new ATOM 0 HD22 LEU A 57 28.647 -5.345 -3.013 1.00 0.00 H new ATOM 0 HD23 LEU A 57 27.684 -3.948 -2.477 1.00 0.00 H new ATOM 947 N LYS A 58 28.356 -2.079 -7.518 1.00 0.00 N ATOM 948 CA LYS A 58 28.148 -2.439 -8.941 1.00 0.00 C ATOM 949 C LYS A 58 28.899 -1.478 -9.876 1.00 0.00 C ATOM 950 O LYS A 58 29.694 -1.920 -10.713 1.00 0.00 O ATOM 951 CB LYS A 58 26.635 -2.437 -9.289 1.00 0.00 C ATOM 952 CG LYS A 58 25.815 -3.561 -8.619 1.00 0.00 C ATOM 953 CD LYS A 58 24.290 -3.404 -8.847 1.00 0.00 C ATOM 954 CE LYS A 58 23.889 -3.471 -10.333 1.00 0.00 C ATOM 955 NZ LYS A 58 24.268 -4.758 -10.961 1.00 0.00 N ATOM 0 H LYS A 58 27.504 -1.774 -7.048 1.00 0.00 H new ATOM 0 HA LYS A 58 28.547 -3.443 -9.088 1.00 0.00 H new ATOM 0 HB2 LYS A 58 26.211 -1.475 -9.000 1.00 0.00 H new ATOM 0 HB3 LYS A 58 26.525 -2.521 -10.370 1.00 0.00 H new ATOM 0 HG2 LYS A 58 26.140 -4.525 -9.010 1.00 0.00 H new ATOM 0 HG3 LYS A 58 26.020 -3.566 -7.548 1.00 0.00 H new ATOM 0 HD2 LYS A 58 23.765 -4.187 -8.300 1.00 0.00 H new ATOM 0 HD3 LYS A 58 23.963 -2.451 -8.432 1.00 0.00 H new ATOM 0 HE2 LYS A 58 22.812 -3.329 -10.423 1.00 0.00 H new ATOM 0 HE3 LYS A 58 24.365 -2.652 -10.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 23.889 -4.797 -11.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 25.305 -4.837 -10.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 23.877 -5.544 -10.404 1.00 0.00 H new ATOM 969 N MET A 59 28.640 -0.165 -9.714 1.00 0.00 N ATOM 970 CA MET A 59 29.291 0.875 -10.533 1.00 0.00 C ATOM 971 C MET A 59 30.777 0.973 -10.179 1.00 0.00 C ATOM 972 O MET A 59 31.611 1.141 -11.059 1.00 0.00 O ATOM 973 CB MET A 59 28.612 2.267 -10.366 1.00 0.00 C ATOM 974 CG MET A 59 29.191 3.352 -11.308 1.00 0.00 C ATOM 975 SD MET A 59 28.383 4.970 -11.179 1.00 0.00 S ATOM 976 CE MET A 59 28.963 5.553 -9.586 1.00 0.00 C ATOM 0 H MET A 59 27.984 0.200 -9.023 1.00 0.00 H new ATOM 0 HA MET A 59 29.182 0.580 -11.577 1.00 0.00 H new ATOM 0 HB2 MET A 59 27.543 2.166 -10.554 1.00 0.00 H new ATOM 0 HB3 MET A 59 28.724 2.596 -9.333 1.00 0.00 H new ATOM 0 HG2 MET A 59 30.253 3.472 -11.093 1.00 0.00 H new ATOM 0 HG3 MET A 59 29.112 3.002 -12.337 1.00 0.00 H new ATOM 0 HE1 MET A 59 28.570 6.552 -9.399 1.00 0.00 H new ATOM 0 HE2 MET A 59 28.620 4.876 -8.804 1.00 0.00 H new ATOM 0 HE3 MET A 59 30.053 5.586 -9.585 1.00 0.00 H new ATOM 986 N GLU A 60 31.092 0.824 -8.881 1.00 0.00 N ATOM 987 CA GLU A 60 32.457 1.014 -8.355 1.00 0.00 C ATOM 988 C GLU A 60 33.416 -0.055 -8.915 1.00 0.00 C ATOM 989 O GLU A 60 34.488 0.279 -9.431 1.00 0.00 O ATOM 990 CB GLU A 60 32.420 0.974 -6.808 1.00 0.00 C ATOM 991 CG GLU A 60 33.681 1.491 -6.093 1.00 0.00 C ATOM 992 CD GLU A 60 33.493 1.578 -4.570 1.00 0.00 C ATOM 993 OE1 GLU A 60 32.765 2.484 -4.105 1.00 0.00 O ATOM 994 OE2 GLU A 60 34.034 0.730 -3.822 1.00 0.00 O ATOM 0 H GLU A 60 30.410 0.569 -8.167 1.00 0.00 H new ATOM 0 HA GLU A 60 32.832 1.986 -8.675 1.00 0.00 H new ATOM 0 HB2 GLU A 60 31.567 1.561 -6.469 1.00 0.00 H new ATOM 0 HB3 GLU A 60 32.244 -0.055 -6.494 1.00 0.00 H new ATOM 0 HG2 GLU A 60 34.519 0.831 -6.316 1.00 0.00 H new ATOM 0 HG3 GLU A 60 33.939 2.476 -6.482 1.00 0.00 H new ATOM 1001 N LYS A 61 32.983 -1.332 -8.860 1.00 0.00 N ATOM 1002 CA LYS A 61 33.830 -2.485 -9.239 1.00 0.00 C ATOM 1003 C LYS A 61 34.113 -2.500 -10.747 1.00 0.00 C ATOM 1004 O LYS A 61 35.236 -2.804 -11.169 1.00 0.00 O ATOM 1005 CB LYS A 61 33.188 -3.823 -8.779 1.00 0.00 C ATOM 1006 CG LYS A 61 31.904 -4.275 -9.536 1.00 0.00 C ATOM 1007 CD LYS A 61 31.152 -5.466 -8.863 1.00 0.00 C ATOM 1008 CE LYS A 61 31.982 -6.767 -8.749 1.00 0.00 C ATOM 1009 NZ LYS A 61 32.994 -6.730 -7.658 1.00 0.00 N ATOM 0 H LYS A 61 32.045 -1.593 -8.555 1.00 0.00 H new ATOM 0 HA LYS A 61 34.785 -2.375 -8.725 1.00 0.00 H new ATOM 0 HB2 LYS A 61 33.935 -4.611 -8.875 1.00 0.00 H new ATOM 0 HB3 LYS A 61 32.947 -3.739 -7.719 1.00 0.00 H new ATOM 0 HG2 LYS A 61 31.223 -3.427 -9.613 1.00 0.00 H new ATOM 0 HG3 LYS A 61 32.176 -4.559 -10.553 1.00 0.00 H new ATOM 0 HD2 LYS A 61 30.837 -5.163 -7.865 1.00 0.00 H new ATOM 0 HD3 LYS A 61 30.247 -5.676 -9.433 1.00 0.00 H new ATOM 0 HE2 LYS A 61 31.307 -7.606 -8.580 1.00 0.00 H new ATOM 0 HE3 LYS A 61 32.487 -6.951 -9.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 33.948 -6.688 -8.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 32.835 -5.890 -7.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 32.907 -7.586 -7.074 1.00 0.00 H new ATOM 1023 N GLU A 62 33.089 -2.141 -11.551 1.00 0.00 N ATOM 1024 CA GLU A 62 33.207 -2.114 -13.014 1.00 0.00 C ATOM 1025 C GLU A 62 33.973 -0.856 -13.465 1.00 0.00 C ATOM 1026 O GLU A 62 34.600 -0.865 -14.522 1.00 0.00 O ATOM 1027 CB GLU A 62 31.812 -2.178 -13.697 1.00 0.00 C ATOM 1028 CG GLU A 62 30.962 -0.892 -13.573 1.00 0.00 C ATOM 1029 CD GLU A 62 29.599 -0.975 -14.276 1.00 0.00 C ATOM 1030 OE1 GLU A 62 29.549 -1.388 -15.454 1.00 0.00 O ATOM 1031 OE2 GLU A 62 28.572 -0.631 -13.661 1.00 0.00 O ATOM 0 H GLU A 62 32.170 -1.866 -11.204 1.00 0.00 H new ATOM 0 HA GLU A 62 33.767 -2.997 -13.322 1.00 0.00 H new ATOM 0 HB2 GLU A 62 31.952 -2.402 -14.755 1.00 0.00 H new ATOM 0 HB3 GLU A 62 31.252 -3.008 -13.267 1.00 0.00 H new ATOM 0 HG2 GLU A 62 30.802 -0.675 -12.517 1.00 0.00 H new ATOM 0 HG3 GLU A 62 31.524 -0.056 -13.989 1.00 0.00 H new ATOM 1038 N ARG A 63 33.914 0.221 -12.638 1.00 0.00 N ATOM 1039 CA ARG A 63 34.586 1.497 -12.935 1.00 0.00 C ATOM 1040 C ARG A 63 36.101 1.334 -12.773 1.00 0.00 C ATOM 1041 O ARG A 63 36.864 1.780 -13.622 1.00 0.00 O ATOM 1042 CB ARG A 63 34.061 2.641 -12.036 1.00 0.00 C ATOM 1043 CG ARG A 63 34.580 4.047 -12.418 1.00 0.00 C ATOM 1044 CD ARG A 63 33.937 5.161 -11.578 1.00 0.00 C ATOM 1045 NE ARG A 63 34.372 6.500 -12.024 1.00 0.00 N ATOM 1046 CZ ARG A 63 33.555 7.513 -12.349 1.00 0.00 C ATOM 1047 NH1 ARG A 63 32.235 7.347 -12.358 1.00 0.00 N ATOM 1048 NH2 ARG A 63 34.067 8.676 -12.690 1.00 0.00 N ATOM 0 H ARG A 63 33.402 0.222 -11.756 1.00 0.00 H new ATOM 0 HA ARG A 63 34.362 1.768 -13.967 1.00 0.00 H new ATOM 0 HB2 ARG A 63 32.972 2.647 -12.076 1.00 0.00 H new ATOM 0 HB3 ARG A 63 34.341 2.432 -11.003 1.00 0.00 H new ATOM 0 HG2 ARG A 63 35.662 4.078 -12.290 1.00 0.00 H new ATOM 0 HG3 ARG A 63 34.379 4.230 -13.473 1.00 0.00 H new ATOM 0 HD2 ARG A 63 32.852 5.089 -11.647 1.00 0.00 H new ATOM 0 HD3 ARG A 63 34.199 5.024 -10.529 1.00 0.00 H new ATOM 0 HE ARG A 63 35.376 6.668 -12.090 1.00 0.00 H new ATOM 0 HH11 ARG A 63 31.833 6.441 -12.116 1.00 0.00 H new ATOM 0 HH12 ARG A 63 31.625 8.125 -12.607 1.00 0.00 H new ATOM 0 HH21 ARG A 63 35.079 8.803 -12.706 1.00 0.00 H new ATOM 0 HH22 ARG A 63 33.452 9.451 -12.938 1.00 0.00 H new ATOM 1062 N ASN A 64 36.521 0.667 -11.679 1.00 0.00 N ATOM 1063 CA ASN A 64 37.938 0.311 -11.467 1.00 0.00 C ATOM 1064 C ASN A 64 38.417 -0.614 -12.598 1.00 0.00 C ATOM 1065 O ASN A 64 39.481 -0.386 -13.179 1.00 0.00 O ATOM 1066 CB ASN A 64 38.163 -0.358 -10.084 1.00 0.00 C ATOM 1067 CG ASN A 64 38.010 0.619 -8.907 1.00 0.00 C ATOM 1068 OD1 ASN A 64 38.903 1.426 -8.652 1.00 0.00 O ATOM 1069 ND2 ASN A 64 36.916 0.540 -8.169 1.00 0.00 N ATOM 0 H ASN A 64 35.899 0.364 -10.929 1.00 0.00 H new ATOM 0 HA ASN A 64 38.523 1.231 -11.480 1.00 0.00 H new ATOM 0 HB2 ASN A 64 37.453 -1.176 -9.963 1.00 0.00 H new ATOM 0 HB3 ASN A 64 39.161 -0.796 -10.057 1.00 0.00 H new ATOM 0 HD21 ASN A 64 36.797 1.157 -7.366 1.00 0.00 H new ATOM 0 HD22 ASN A 64 36.191 -0.138 -8.403 1.00 0.00 H new