USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 555 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 57:sc= 0.234 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 41 MET CE :methyl -168:sc= -5.4! (180deg=-5.76!) USER MOD Single : A 43 LYS NZ :NH3+ 169:sc= 0.037 (180deg=0.0214) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -14.571 1.425 -8.290 1.00 0.00 N ATOM 2 CA ARG A 1 -14.851 1.821 -6.889 1.00 0.00 C ATOM 3 C ARG A 1 -14.271 3.234 -6.598 1.00 0.00 C ATOM 4 O ARG A 1 -13.151 3.560 -7.008 1.00 0.00 O ATOM 5 CB ARG A 1 -14.276 0.804 -5.868 1.00 0.00 C ATOM 6 CG ARG A 1 -14.795 -0.649 -5.943 1.00 0.00 C ATOM 7 CD ARG A 1 -14.182 -1.523 -4.831 1.00 0.00 C ATOM 8 NE ARG A 1 -14.578 -2.951 -4.889 1.00 0.00 N ATOM 9 CZ ARG A 1 -13.947 -3.900 -5.609 1.00 0.00 C ATOM 10 NH1 ARG A 1 -12.926 -3.656 -6.425 1.00 0.00 N ATOM 11 NH2 ARG A 1 -14.366 -5.146 -5.500 1.00 0.00 N ATOM 0 H1 ARG A 1 -14.965 0.479 -8.469 1.00 0.00 H new ATOM 0 H2 ARG A 1 -15.009 2.110 -8.939 1.00 0.00 H new ATOM 0 H3 ARG A 1 -13.543 1.407 -8.447 1.00 0.00 H new ATOM 0 HA ARG A 1 -15.935 1.837 -6.773 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -13.193 0.781 -5.989 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -14.477 1.182 -4.866 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -15.881 -0.654 -5.855 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -14.553 -1.074 -6.917 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -13.096 -1.457 -4.890 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -14.474 -1.116 -3.863 1.00 0.00 H new ATOM 0 HE ARG A 1 -15.390 -3.237 -4.342 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -12.576 -2.704 -6.534 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -12.492 -4.421 -6.942 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -15.147 -5.369 -4.884 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -13.909 -5.886 -6.032 1.00 0.00 H new ATOM 24 N ARG A 2 -15.040 4.051 -5.852 1.00 0.00 N ATOM 25 CA ARG A 2 -14.614 5.412 -5.429 1.00 0.00 C ATOM 26 C ARG A 2 -15.065 5.634 -3.956 1.00 0.00 C ATOM 27 O ARG A 2 -16.247 5.483 -3.623 1.00 0.00 O ATOM 28 CB ARG A 2 -15.192 6.507 -6.371 1.00 0.00 C ATOM 29 CG ARG A 2 -14.596 7.915 -6.129 1.00 0.00 C ATOM 30 CD ARG A 2 -15.330 9.045 -6.879 1.00 0.00 C ATOM 31 NE ARG A 2 -14.742 10.381 -6.597 1.00 0.00 N ATOM 32 CZ ARG A 2 -15.020 11.143 -5.517 1.00 0.00 C ATOM 33 NH1 ARG A 2 -15.865 10.788 -4.550 1.00 0.00 N ATOM 34 NH2 ARG A 2 -14.412 12.310 -5.409 1.00 0.00 N ATOM 0 H ARG A 2 -15.971 3.794 -5.524 1.00 0.00 H new ATOM 0 HA ARG A 2 -13.529 5.490 -5.494 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -15.008 6.217 -7.406 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -16.273 6.553 -6.240 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -14.618 8.129 -5.060 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -13.549 7.912 -6.432 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -15.291 8.852 -7.951 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -16.382 9.045 -6.593 1.00 0.00 H new ATOM 0 HE ARG A 2 -14.075 10.752 -7.274 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -16.348 9.891 -4.599 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -16.029 11.413 -3.761 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -13.755 12.611 -6.129 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -14.599 12.910 -4.606 1.00 0.00 H new ATOM 47 N ARG A 3 -14.110 6.027 -3.094 1.00 0.00 N ATOM 48 CA ARG A 3 -14.382 6.353 -1.670 1.00 0.00 C ATOM 49 C ARG A 3 -13.366 7.430 -1.213 1.00 0.00 C ATOM 50 O ARG A 3 -12.162 7.164 -1.111 1.00 0.00 O ATOM 51 CB ARG A 3 -14.436 5.112 -0.733 1.00 0.00 C ATOM 52 CG ARG A 3 -13.187 4.195 -0.665 1.00 0.00 C ATOM 53 CD ARG A 3 -13.378 2.866 0.101 1.00 0.00 C ATOM 54 NE ARG A 3 -14.465 1.993 -0.418 1.00 0.00 N ATOM 55 CZ ARG A 3 -14.415 1.280 -1.558 1.00 0.00 C ATOM 56 NH1 ARG A 3 -13.350 1.224 -2.355 1.00 0.00 N ATOM 57 NH2 ARG A 3 -15.492 0.603 -1.907 1.00 0.00 N ATOM 0 H ARG A 3 -13.130 6.129 -3.357 1.00 0.00 H new ATOM 0 HA ARG A 3 -15.391 6.757 -1.593 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -14.646 5.465 0.277 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -15.284 4.499 -1.039 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -12.871 3.965 -1.682 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -12.375 4.751 -0.196 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -12.441 2.310 0.073 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -13.583 3.093 1.147 1.00 0.00 H new ATOM 0 HE ARG A 3 -15.319 1.930 0.136 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -12.505 1.742 -2.114 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -13.379 0.663 -3.206 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -16.325 0.632 -1.319 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -15.492 0.051 -2.765 1.00 0.00 H new ATOM 70 N LYS A 4 -13.869 8.651 -0.940 1.00 0.00 N ATOM 71 CA LYS A 4 -13.032 9.776 -0.449 1.00 0.00 C ATOM 72 C LYS A 4 -12.869 9.651 1.093 1.00 0.00 C ATOM 73 O LYS A 4 -13.839 9.758 1.852 1.00 0.00 O ATOM 74 CB LYS A 4 -13.534 11.154 -0.946 1.00 0.00 C ATOM 75 CG LYS A 4 -14.940 11.623 -0.511 1.00 0.00 C ATOM 76 CD LYS A 4 -15.291 13.000 -1.107 1.00 0.00 C ATOM 77 CE LYS A 4 -16.658 13.570 -0.680 1.00 0.00 C ATOM 78 NZ LYS A 4 -17.804 12.819 -1.229 1.00 0.00 N ATOM 0 H LYS A 4 -14.855 8.888 -1.050 1.00 0.00 H new ATOM 0 HA LYS A 4 -12.034 9.709 -0.882 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -12.817 11.907 -0.619 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -13.510 11.143 -2.036 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -15.682 10.890 -0.827 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -14.986 11.675 0.577 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -14.514 13.710 -0.823 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -15.271 12.924 -2.194 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -16.720 13.568 0.408 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -16.726 14.609 -1.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -18.691 13.253 -0.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -17.768 12.841 -2.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -17.761 11.833 -0.902 1.00 0.00 H new ATOM 91 N LYS A 5 -11.630 9.370 1.525 1.00 0.00 N ATOM 92 CA LYS A 5 -11.300 9.130 2.951 1.00 0.00 C ATOM 93 C LYS A 5 -9.993 9.881 3.329 1.00 0.00 C ATOM 94 O LYS A 5 -9.813 11.061 3.008 1.00 0.00 O ATOM 95 CB LYS A 5 -11.475 7.602 3.264 1.00 0.00 C ATOM 96 CG LYS A 5 -11.737 7.251 4.751 1.00 0.00 C ATOM 97 CD LYS A 5 -13.146 7.619 5.264 1.00 0.00 C ATOM 98 CE LYS A 5 -13.376 7.170 6.718 1.00 0.00 C ATOM 99 NZ LYS A 5 -14.729 7.521 7.184 1.00 0.00 N ATOM 0 H LYS A 5 -10.825 9.301 0.902 1.00 0.00 H new ATOM 0 HA LYS A 5 -11.994 9.580 3.661 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -12.303 7.219 2.667 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -10.577 7.077 2.938 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -11.583 6.181 4.890 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -10.997 7.762 5.366 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -13.285 8.698 5.193 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -13.896 7.158 4.621 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -13.232 6.092 6.794 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -12.634 7.637 7.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -14.851 7.204 8.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -14.857 8.552 7.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -15.436 7.055 6.580 1.00 0.00 H new ATOM 112 N ARG A 6 -9.129 9.190 4.069 1.00 0.00 N ATOM 113 CA ARG A 6 -7.870 9.748 4.632 1.00 0.00 C ATOM 114 C ARG A 6 -6.677 9.542 3.665 1.00 0.00 C ATOM 115 O ARG A 6 -6.617 8.575 2.901 1.00 0.00 O ATOM 116 CB ARG A 6 -7.718 9.176 6.076 1.00 0.00 C ATOM 117 CG ARG A 6 -6.360 9.282 6.811 1.00 0.00 C ATOM 118 CD ARG A 6 -5.359 8.134 6.549 1.00 0.00 C ATOM 119 NE ARG A 6 -5.606 6.891 7.327 1.00 0.00 N ATOM 120 CZ ARG A 6 -6.251 5.795 6.879 1.00 0.00 C ATOM 121 NH1 ARG A 6 -6.808 5.694 5.675 1.00 0.00 N ATOM 122 NH2 ARG A 6 -6.340 4.757 7.689 1.00 0.00 N ATOM 0 H ARG A 6 -9.273 8.209 4.307 1.00 0.00 H new ATOM 0 HA ARG A 6 -7.896 10.833 4.728 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -8.464 9.669 6.700 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.983 8.120 6.036 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -5.887 10.222 6.527 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.552 9.333 7.883 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -5.380 7.890 5.487 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -4.354 8.491 6.774 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.256 6.865 8.285 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.762 6.478 5.024 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -7.281 4.832 5.403 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -5.928 4.801 8.621 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -6.821 3.911 7.383 1.00 0.00 H new ATOM 135 N THR A 7 -5.741 10.505 3.720 1.00 0.00 N ATOM 136 CA THR A 7 -4.490 10.469 2.902 1.00 0.00 C ATOM 137 C THR A 7 -3.264 10.930 3.750 1.00 0.00 C ATOM 138 O THR A 7 -2.623 11.951 3.477 1.00 0.00 O ATOM 139 CB THR A 7 -4.596 11.219 1.537 1.00 0.00 C ATOM 140 OG1 THR A 7 -4.786 12.618 1.725 1.00 0.00 O ATOM 141 CG2 THR A 7 -5.693 10.713 0.597 1.00 0.00 C ATOM 0 H THR A 7 -5.817 11.326 4.321 1.00 0.00 H new ATOM 0 HA THR A 7 -4.335 9.427 2.621 1.00 0.00 H new ATOM 0 HB THR A 7 -3.640 11.010 1.057 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.056 12.977 2.271 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.683 11.299 -0.322 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.514 9.664 0.361 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.664 10.815 1.082 1.00 0.00 H new ATOM 149 N SER A 8 -2.941 10.134 4.780 1.00 0.00 N ATOM 150 CA SER A 8 -1.756 10.342 5.648 1.00 0.00 C ATOM 151 C SER A 8 -1.254 8.915 5.939 1.00 0.00 C ATOM 152 O SER A 8 -1.919 8.120 6.614 1.00 0.00 O ATOM 153 CB SER A 8 -2.060 11.101 6.952 1.00 0.00 C ATOM 154 OG SER A 8 -2.532 12.417 6.687 1.00 0.00 O ATOM 0 H SER A 8 -3.495 9.319 5.042 1.00 0.00 H new ATOM 0 HA SER A 8 -1.018 10.973 5.152 1.00 0.00 H new ATOM 0 HB2 SER A 8 -2.806 10.554 7.528 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.159 11.152 7.564 1.00 0.00 H new ATOM 0 HG SER A 8 -2.718 12.874 7.533 1.00 0.00 H new ATOM 160 N ILE A 9 -0.061 8.600 5.415 1.00 0.00 N ATOM 161 CA ILE A 9 0.505 7.236 5.464 1.00 0.00 C ATOM 162 C ILE A 9 1.383 7.165 6.756 1.00 0.00 C ATOM 163 O ILE A 9 2.569 7.511 6.729 1.00 0.00 O ATOM 164 CB ILE A 9 1.242 6.879 4.113 1.00 0.00 C ATOM 165 CG1 ILE A 9 0.836 7.614 2.801 1.00 0.00 C ATOM 166 CG2 ILE A 9 1.117 5.362 3.836 1.00 0.00 C ATOM 167 CD1 ILE A 9 1.686 7.364 1.542 1.00 0.00 C ATOM 0 H ILE A 9 0.540 9.278 4.946 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.260 6.463 5.538 1.00 0.00 H new ATOM 0 HB ILE A 9 2.252 7.232 4.321 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.193 7.340 2.569 1.00 0.00 H new ATOM 0 HG13 ILE A 9 0.843 8.685 3.002 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.626 5.119 2.903 1.00 0.00 H new ATOM 0 HG22 ILE A 9 1.572 4.804 4.654 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.064 5.092 3.755 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.283 7.942 0.710 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.715 7.669 1.731 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.662 6.303 1.292 1.00 0.00 H new ATOM 179 N GLU A 10 0.766 6.760 7.888 1.00 0.00 N ATOM 180 CA GLU A 10 1.433 6.725 9.218 1.00 0.00 C ATOM 181 C GLU A 10 1.591 5.234 9.632 1.00 0.00 C ATOM 182 O GLU A 10 2.553 4.611 9.179 1.00 0.00 O ATOM 183 CB GLU A 10 0.673 7.691 10.177 1.00 0.00 C ATOM 184 CG GLU A 10 1.382 7.938 11.527 1.00 0.00 C ATOM 185 CD GLU A 10 0.572 8.840 12.460 1.00 0.00 C ATOM 186 OE1 GLU A 10 0.734 10.058 12.536 1.00 0.00 O ATOM 187 OE2 GLU A 10 -0.347 8.133 13.195 1.00 0.00 O ATOM 0 H GLU A 10 -0.205 6.448 7.911 1.00 0.00 H new ATOM 0 HA GLU A 10 2.452 7.111 9.233 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.533 8.648 9.674 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.320 7.285 10.371 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.563 6.982 12.018 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.356 8.392 11.344 1.00 0.00 H new ATOM 195 N THR A 11 0.770 4.696 10.558 1.00 0.00 N ATOM 196 CA THR A 11 0.774 3.250 10.923 1.00 0.00 C ATOM 197 C THR A 11 -0.199 2.391 10.077 1.00 0.00 C ATOM 198 O THR A 11 0.246 1.650 9.203 1.00 0.00 O ATOM 199 CB THR A 11 0.650 2.986 12.456 1.00 0.00 C ATOM 200 OG1 THR A 11 -0.433 3.716 13.028 1.00 0.00 O ATOM 201 CG2 THR A 11 1.930 3.297 13.234 1.00 0.00 C ATOM 0 H THR A 11 0.084 5.244 11.077 1.00 0.00 H new ATOM 0 HA THR A 11 1.772 2.904 10.654 1.00 0.00 H new ATOM 0 HB THR A 11 0.461 1.916 12.544 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.484 3.527 13.988 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.772 3.091 14.293 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.743 2.674 12.861 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.189 4.348 13.104 1.00 0.00 H new ATOM 209 N ASN A 12 -1.514 2.493 10.356 1.00 0.00 N ATOM 210 CA ASN A 12 -2.561 1.601 9.779 1.00 0.00 C ATOM 211 C ASN A 12 -2.614 1.466 8.231 1.00 0.00 C ATOM 212 O ASN A 12 -2.570 0.316 7.783 1.00 0.00 O ATOM 213 CB ASN A 12 -3.912 1.927 10.455 1.00 0.00 C ATOM 214 CG ASN A 12 -5.077 0.962 10.146 1.00 0.00 C ATOM 215 OD1 ASN A 12 -5.105 -0.176 10.614 1.00 0.00 O ATOM 216 ND2 ASN A 12 -6.049 1.390 9.355 1.00 0.00 N ATOM 0 H ASN A 12 -1.890 3.198 10.990 1.00 0.00 H new ATOM 0 HA ASN A 12 -2.269 0.579 10.022 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -3.760 1.946 11.534 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -4.211 2.932 10.157 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -6.830 0.775 9.128 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -6.016 2.335 8.972 1.00 0.00 H new ATOM 223 N ILE A 13 -2.694 2.548 7.412 1.00 0.00 N ATOM 224 CA ILE A 13 -2.552 2.393 5.933 1.00 0.00 C ATOM 225 C ILE A 13 -1.096 1.906 5.582 1.00 0.00 C ATOM 226 O ILE A 13 -1.006 0.895 4.900 1.00 0.00 O ATOM 227 CB ILE A 13 -3.113 3.537 5.010 1.00 0.00 C ATOM 228 CG1 ILE A 13 -2.929 3.165 3.526 1.00 0.00 C ATOM 229 CG2 ILE A 13 -2.382 4.867 5.154 1.00 0.00 C ATOM 230 CD1 ILE A 13 -3.931 2.145 3.034 1.00 0.00 C ATOM 0 H ILE A 13 -2.850 3.504 7.731 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.261 1.611 5.662 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.154 3.642 5.317 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.013 4.067 2.920 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.922 2.774 3.379 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.829 5.602 4.485 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.463 5.217 6.183 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.331 4.734 4.897 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.744 1.929 1.982 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.833 1.228 3.616 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.940 2.541 3.149 1.00 0.00 H new ATOM 242 N ARG A 14 0.001 2.537 6.052 1.00 0.00 N ATOM 243 CA ARG A 14 1.409 2.119 5.734 1.00 0.00 C ATOM 244 C ARG A 14 1.763 0.614 5.938 1.00 0.00 C ATOM 245 O ARG A 14 2.489 0.053 5.129 1.00 0.00 O ATOM 246 CB ARG A 14 2.339 2.955 6.671 1.00 0.00 C ATOM 247 CG ARG A 14 3.785 3.243 6.209 1.00 0.00 C ATOM 248 CD ARG A 14 3.952 4.447 5.260 1.00 0.00 C ATOM 249 NE ARG A 14 5.384 4.761 5.044 1.00 0.00 N ATOM 250 CZ ARG A 14 5.840 5.758 4.261 1.00 0.00 C ATOM 251 NH1 ARG A 14 5.053 6.590 3.581 1.00 0.00 N ATOM 252 NH2 ARG A 14 7.146 5.921 4.160 1.00 0.00 N ATOM 0 H ARG A 14 -0.050 3.352 6.663 1.00 0.00 H new ATOM 0 HA ARG A 14 1.539 2.291 4.666 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.852 3.913 6.852 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.394 2.439 7.630 1.00 0.00 H new ATOM 0 HG2 ARG A 14 4.403 3.410 7.091 1.00 0.00 H new ATOM 0 HG3 ARG A 14 4.173 2.354 5.711 1.00 0.00 H new ATOM 0 HD2 ARG A 14 3.476 4.229 4.304 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.445 5.317 5.678 1.00 0.00 H new ATOM 0 HE ARG A 14 6.074 4.181 5.522 1.00 0.00 H new ATOM 0 HH11 ARG A 14 4.039 6.492 3.636 1.00 0.00 H new ATOM 0 HH12 ARG A 14 5.464 7.325 3.006 1.00 0.00 H new ATOM 0 HH21 ARG A 14 7.778 5.301 4.667 1.00 0.00 H new ATOM 0 HH22 ARG A 14 7.523 6.667 3.575 1.00 0.00 H new ATOM 265 N VAL A 15 1.247 0.014 7.018 1.00 0.00 N ATOM 266 CA VAL A 15 1.398 -1.423 7.387 1.00 0.00 C ATOM 267 C VAL A 15 0.479 -2.312 6.516 1.00 0.00 C ATOM 268 O VAL A 15 0.946 -3.296 5.956 1.00 0.00 O ATOM 269 CB VAL A 15 1.057 -1.552 8.923 1.00 0.00 C ATOM 270 CG1 VAL A 15 0.628 -2.923 9.491 1.00 0.00 C ATOM 271 CG2 VAL A 15 2.217 -1.062 9.785 1.00 0.00 C ATOM 0 H VAL A 15 0.686 0.529 7.697 1.00 0.00 H new ATOM 0 HA VAL A 15 2.416 -1.766 7.205 1.00 0.00 H new ATOM 0 HB VAL A 15 0.163 -0.931 8.975 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.433 -2.829 10.559 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.277 -3.259 8.985 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.425 -3.649 9.330 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.955 -1.162 10.838 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.105 -1.658 9.573 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.421 -0.015 9.560 1.00 0.00 H new ATOM 281 N ALA A 16 -0.822 -2.003 6.438 1.00 0.00 N ATOM 282 CA ALA A 16 -1.752 -2.694 5.497 1.00 0.00 C ATOM 283 C ALA A 16 -1.349 -2.610 3.987 1.00 0.00 C ATOM 284 O ALA A 16 -1.679 -3.526 3.234 1.00 0.00 O ATOM 285 CB ALA A 16 -3.180 -2.177 5.726 1.00 0.00 C ATOM 0 H ALA A 16 -1.266 -1.283 7.008 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.691 -3.757 5.728 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.863 -2.679 5.041 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.481 -2.382 6.753 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.211 -1.102 5.547 1.00 0.00 H new ATOM 291 N LEU A 17 -0.653 -1.528 3.575 1.00 0.00 N ATOM 292 CA LEU A 17 -0.025 -1.361 2.243 1.00 0.00 C ATOM 293 C LEU A 17 1.316 -2.137 2.121 1.00 0.00 C ATOM 294 O LEU A 17 1.547 -2.787 1.098 1.00 0.00 O ATOM 295 CB LEU A 17 0.092 0.161 1.945 1.00 0.00 C ATOM 296 CG LEU A 17 -1.230 0.904 1.596 1.00 0.00 C ATOM 297 CD1 LEU A 17 -1.148 2.228 0.797 1.00 0.00 C ATOM 298 CD2 LEU A 17 -2.411 0.083 1.071 1.00 0.00 C ATOM 0 H LEU A 17 -0.507 -0.719 4.179 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.654 -1.809 1.474 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.536 0.646 2.814 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.787 0.294 1.116 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.444 1.163 2.633 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.153 2.619 0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.561 2.956 1.358 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.672 2.043 -0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.255 0.744 0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.123 -0.421 0.148 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.697 -0.660 1.815 1.00 0.00 H new ATOM 310 N GLU A 18 2.194 -2.082 3.145 1.00 0.00 N ATOM 311 CA GLU A 18 3.443 -2.892 3.210 1.00 0.00 C ATOM 312 C GLU A 18 3.196 -4.420 3.196 1.00 0.00 C ATOM 313 O GLU A 18 3.868 -5.149 2.470 1.00 0.00 O ATOM 314 CB GLU A 18 4.369 -2.321 4.332 1.00 0.00 C ATOM 315 CG GLU A 18 4.344 -2.893 5.751 1.00 0.00 C ATOM 316 CD GLU A 18 5.292 -4.061 6.054 1.00 0.00 C ATOM 317 OE1 GLU A 18 6.485 -3.910 6.315 1.00 0.00 O ATOM 318 OE2 GLU A 18 4.660 -5.277 6.008 1.00 0.00 O ATOM 0 H GLU A 18 2.062 -1.476 3.954 1.00 0.00 H new ATOM 0 HA GLU A 18 4.007 -2.783 2.284 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.394 -2.408 3.972 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.149 -1.257 4.415 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.572 -2.084 6.445 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.326 -3.220 5.966 1.00 0.00 H new ATOM 326 N LYS A 19 2.212 -4.879 3.973 1.00 0.00 N ATOM 327 CA LYS A 19 1.798 -6.295 4.053 1.00 0.00 C ATOM 328 C LYS A 19 0.895 -6.785 2.863 1.00 0.00 C ATOM 329 O LYS A 19 0.878 -7.980 2.569 1.00 0.00 O ATOM 330 CB LYS A 19 1.237 -6.417 5.505 1.00 0.00 C ATOM 331 CG LYS A 19 1.386 -7.748 6.262 1.00 0.00 C ATOM 332 CD LYS A 19 1.453 -7.501 7.799 1.00 0.00 C ATOM 333 CE LYS A 19 1.309 -8.762 8.672 1.00 0.00 C ATOM 334 NZ LYS A 19 2.472 -9.666 8.585 1.00 0.00 N ATOM 0 H LYS A 19 1.665 -4.269 4.580 1.00 0.00 H new ATOM 0 HA LYS A 19 2.613 -7.004 3.905 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.714 -5.643 6.106 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.174 -6.180 5.466 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.545 -8.401 6.030 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.289 -8.262 5.931 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.404 -7.023 8.033 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.667 -6.797 8.073 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.167 -8.463 9.710 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.413 -9.304 8.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.314 -10.494 9.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.596 -9.978 7.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.327 -9.163 8.899 1.00 0.00 H new ATOM 347 N SER A 20 0.207 -5.854 2.160 1.00 0.00 N ATOM 348 CA SER A 20 -0.401 -6.042 0.800 1.00 0.00 C ATOM 349 C SER A 20 0.614 -6.601 -0.233 1.00 0.00 C ATOM 350 O SER A 20 0.346 -7.595 -0.907 1.00 0.00 O ATOM 351 CB SER A 20 -0.904 -4.648 0.352 1.00 0.00 C ATOM 352 OG SER A 20 -2.289 -4.649 0.030 1.00 0.00 O ATOM 0 H SER A 20 0.049 -4.916 2.527 1.00 0.00 H new ATOM 0 HA SER A 20 -1.207 -6.773 0.854 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.719 -3.925 1.147 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.332 -4.320 -0.516 1.00 0.00 H new ATOM 0 HG SER A 20 -2.561 -3.749 -0.245 1.00 0.00 H new ATOM 358 N PHE A 21 1.788 -5.954 -0.291 1.00 0.00 N ATOM 359 CA PHE A 21 2.938 -6.346 -1.123 1.00 0.00 C ATOM 360 C PHE A 21 3.434 -7.818 -0.866 1.00 0.00 C ATOM 361 O PHE A 21 3.547 -8.628 -1.787 1.00 0.00 O ATOM 362 CB PHE A 21 3.991 -5.227 -0.851 1.00 0.00 C ATOM 363 CG PHE A 21 5.091 -5.179 -1.922 1.00 0.00 C ATOM 364 CD1 PHE A 21 6.148 -6.093 -1.872 1.00 0.00 C ATOM 365 CD2 PHE A 21 5.073 -4.196 -2.915 1.00 0.00 C ATOM 366 CE1 PHE A 21 7.214 -5.977 -2.748 1.00 0.00 C ATOM 367 CE2 PHE A 21 6.133 -4.099 -3.813 1.00 0.00 C ATOM 368 CZ PHE A 21 7.219 -4.968 -3.701 1.00 0.00 C ATOM 0 H PHE A 21 1.970 -5.114 0.259 1.00 0.00 H new ATOM 0 HA PHE A 21 2.693 -6.403 -2.183 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.487 -4.261 -0.809 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.447 -5.391 0.126 1.00 0.00 H new ATOM 0 HD1 PHE A 21 6.133 -6.893 -1.147 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.239 -3.513 -2.986 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.040 -6.670 -2.690 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.115 -3.353 -4.594 1.00 0.00 H new ATOM 0 HZ PHE A 21 8.068 -4.855 -4.359 1.00 0.00 H new ATOM 378 N LEU A 22 3.681 -8.116 0.415 1.00 0.00 N ATOM 379 CA LEU A 22 4.121 -9.437 0.949 1.00 0.00 C ATOM 380 C LEU A 22 3.117 -10.633 0.836 1.00 0.00 C ATOM 381 O LEU A 22 3.560 -11.782 0.754 1.00 0.00 O ATOM 382 CB LEU A 22 4.540 -9.270 2.426 1.00 0.00 C ATOM 383 CG LEU A 22 5.587 -8.161 2.726 1.00 0.00 C ATOM 384 CD1 LEU A 22 5.907 -8.170 4.208 1.00 0.00 C ATOM 385 CD2 LEU A 22 6.887 -8.247 1.912 1.00 0.00 C ATOM 0 H LEU A 22 3.579 -7.419 1.153 1.00 0.00 H new ATOM 0 HA LEU A 22 4.946 -9.722 0.296 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.646 -9.063 3.014 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.940 -10.221 2.777 1.00 0.00 H new ATOM 0 HG LEU A 22 5.123 -7.224 2.418 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.641 -7.394 4.426 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.997 -7.980 4.778 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.313 -9.143 4.487 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.549 -7.429 2.196 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.379 -9.199 2.112 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.656 -8.174 0.849 1.00 0.00 H new ATOM 397 N GLU A 23 1.793 -10.369 0.822 1.00 0.00 N ATOM 398 CA GLU A 23 0.729 -11.409 0.747 1.00 0.00 C ATOM 399 C GLU A 23 0.504 -11.820 -0.742 1.00 0.00 C ATOM 400 O GLU A 23 0.780 -12.958 -1.128 1.00 0.00 O ATOM 401 CB GLU A 23 -0.541 -10.825 1.447 1.00 0.00 C ATOM 402 CG GLU A 23 -1.643 -11.864 1.737 1.00 0.00 C ATOM 403 CD GLU A 23 -2.890 -11.230 2.358 1.00 0.00 C ATOM 404 OE1 GLU A 23 -3.843 -10.821 1.695 1.00 0.00 O ATOM 405 OE2 GLU A 23 -2.816 -11.169 3.727 1.00 0.00 O ATOM 0 H GLU A 23 1.423 -9.420 0.863 1.00 0.00 H new ATOM 0 HA GLU A 23 1.004 -12.328 1.265 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.242 -10.359 2.386 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.957 -10.037 0.819 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.917 -12.368 0.810 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.252 -12.627 2.411 1.00 0.00 H new ATOM 413 N ASN A 24 0.013 -10.869 -1.546 1.00 0.00 N ATOM 414 CA ASN A 24 -0.129 -10.986 -3.015 1.00 0.00 C ATOM 415 C ASN A 24 0.029 -9.527 -3.465 1.00 0.00 C ATOM 416 O ASN A 24 -0.796 -8.656 -3.162 1.00 0.00 O ATOM 417 CB ASN A 24 -1.384 -11.660 -3.614 1.00 0.00 C ATOM 418 CG ASN A 24 -2.724 -11.610 -2.876 1.00 0.00 C ATOM 419 OD1 ASN A 24 -3.046 -10.696 -2.116 1.00 0.00 O ATOM 420 ND2 ASN A 24 -3.555 -12.589 -3.165 1.00 0.00 N ATOM 0 H ASN A 24 -0.307 -9.969 -1.189 1.00 0.00 H new ATOM 0 HA ASN A 24 0.607 -11.698 -3.389 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.544 -11.222 -4.599 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -1.141 -12.711 -3.768 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.490 -12.602 -2.757 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.264 -13.335 -3.797 1.00 0.00 H new ATOM 427 N GLN A 25 1.120 -9.303 -4.205 1.00 0.00 N ATOM 428 CA GLN A 25 1.573 -7.944 -4.582 1.00 0.00 C ATOM 429 C GLN A 25 0.560 -7.243 -5.518 1.00 0.00 C ATOM 430 O GLN A 25 -0.264 -6.456 -5.041 1.00 0.00 O ATOM 431 CB GLN A 25 3.048 -8.031 -5.075 1.00 0.00 C ATOM 432 CG GLN A 25 3.797 -6.686 -5.148 1.00 0.00 C ATOM 433 CD GLN A 25 4.943 -6.631 -6.173 1.00 0.00 C ATOM 434 OE1 GLN A 25 4.867 -5.914 -7.171 1.00 0.00 O ATOM 435 NE2 GLN A 25 6.025 -7.363 -5.955 1.00 0.00 N ATOM 0 H GLN A 25 1.717 -10.049 -4.562 1.00 0.00 H new ATOM 0 HA GLN A 25 1.591 -7.274 -3.723 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.597 -8.699 -4.411 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.057 -8.488 -6.065 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.079 -5.901 -5.386 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.202 -6.459 -4.162 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.082 -7.955 -5.126 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.801 -7.335 -6.616 1.00 0.00 H new ATOM 444 N LYS A 26 0.630 -7.560 -6.819 1.00 0.00 N ATOM 445 CA LYS A 26 -0.297 -7.041 -7.859 1.00 0.00 C ATOM 446 C LYS A 26 -0.686 -5.529 -7.826 1.00 0.00 C ATOM 447 O LYS A 26 -1.821 -5.200 -7.480 1.00 0.00 O ATOM 448 CB LYS A 26 -1.504 -8.011 -8.012 1.00 0.00 C ATOM 449 CG LYS A 26 -1.200 -9.463 -8.455 1.00 0.00 C ATOM 450 CD LYS A 26 -2.443 -10.383 -8.517 1.00 0.00 C ATOM 451 CE LYS A 26 -3.530 -10.036 -9.558 1.00 0.00 C ATOM 452 NZ LYS A 26 -3.075 -10.198 -10.952 1.00 0.00 N ATOM 0 H LYS A 26 1.338 -8.192 -7.193 1.00 0.00 H new ATOM 0 HA LYS A 26 0.294 -7.035 -8.775 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.026 -8.053 -7.056 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.196 -7.577 -8.734 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.730 -9.440 -9.438 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.475 -9.897 -7.766 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.101 -11.399 -8.712 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.909 -10.387 -7.532 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.400 -10.671 -9.391 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.854 -9.006 -9.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.849 -9.950 -11.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.263 -9.573 -11.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.792 -11.186 -11.112 1.00 0.00 H new ATOM 465 N PRO A 27 0.236 -4.579 -8.137 1.00 0.00 N ATOM 466 CA PRO A 27 -0.205 -3.215 -8.539 1.00 0.00 C ATOM 467 C PRO A 27 -0.953 -3.094 -9.907 1.00 0.00 C ATOM 468 O PRO A 27 -0.593 -2.249 -10.736 1.00 0.00 O ATOM 469 CB PRO A 27 1.101 -2.405 -8.528 1.00 0.00 C ATOM 470 CG PRO A 27 1.808 -2.924 -7.302 1.00 0.00 C ATOM 471 CD PRO A 27 1.344 -4.369 -7.167 1.00 0.00 C ATOM 0 HA PRO A 27 -0.972 -2.857 -7.852 1.00 0.00 H new ATOM 0 HB2 PRO A 27 1.687 -2.570 -9.432 1.00 0.00 H new ATOM 0 HB3 PRO A 27 0.912 -1.334 -8.462 1.00 0.00 H new ATOM 0 HG2 PRO A 27 2.891 -2.865 -7.415 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.548 -2.341 -6.419 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.166 -5.055 -7.370 1.00 0.00 H new ATOM 0 HD3 PRO A 27 1.006 -4.569 -6.150 1.00 0.00 H new ATOM 479 N THR A 28 -2.028 -3.895 -10.148 1.00 0.00 N ATOM 480 CA THR A 28 -2.901 -3.740 -11.333 1.00 0.00 C ATOM 481 C THR A 28 -3.722 -2.444 -11.146 1.00 0.00 C ATOM 482 O THR A 28 -4.158 -2.154 -10.031 1.00 0.00 O ATOM 483 CB THR A 28 -3.638 -4.979 -11.948 1.00 0.00 C ATOM 484 OG1 THR A 28 -5.035 -4.978 -11.695 1.00 0.00 O ATOM 485 CG2 THR A 28 -3.072 -6.368 -11.602 1.00 0.00 C ATOM 0 H THR A 28 -2.307 -4.657 -9.530 1.00 0.00 H new ATOM 0 HA THR A 28 -2.234 -3.648 -12.190 1.00 0.00 H new ATOM 0 HB THR A 28 -3.443 -4.831 -13.010 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.442 -5.771 -12.102 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.672 -7.137 -12.089 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.041 -6.438 -11.949 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.102 -6.515 -10.522 1.00 0.00 H new ATOM 493 N SER A 29 -3.911 -1.629 -12.192 1.00 0.00 N ATOM 494 CA SER A 29 -4.788 -0.419 -12.085 1.00 0.00 C ATOM 495 C SER A 29 -6.236 -0.666 -11.521 1.00 0.00 C ATOM 496 O SER A 29 -6.808 0.197 -10.848 1.00 0.00 O ATOM 497 CB SER A 29 -4.887 0.217 -13.485 1.00 0.00 C ATOM 498 OG SER A 29 -3.778 1.070 -13.738 1.00 0.00 O ATOM 0 H SER A 29 -3.486 -1.766 -13.109 1.00 0.00 H new ATOM 0 HA SER A 29 -4.316 0.233 -11.350 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.928 -0.566 -14.242 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.813 0.786 -13.565 1.00 0.00 H new ATOM 0 HG SER A 29 -3.863 1.460 -14.633 1.00 0.00 H new ATOM 504 N GLU A 30 -6.777 -1.859 -11.819 1.00 0.00 N ATOM 505 CA GLU A 30 -8.051 -2.367 -11.221 1.00 0.00 C ATOM 506 C GLU A 30 -7.806 -2.902 -9.772 1.00 0.00 C ATOM 507 O GLU A 30 -8.589 -2.627 -8.864 1.00 0.00 O ATOM 508 CB GLU A 30 -8.693 -3.458 -12.119 1.00 0.00 C ATOM 509 CG GLU A 30 -9.283 -2.939 -13.449 1.00 0.00 C ATOM 510 CD GLU A 30 -9.896 -4.056 -14.297 1.00 0.00 C ATOM 511 OE1 GLU A 30 -11.092 -4.347 -14.272 1.00 0.00 O ATOM 512 OE2 GLU A 30 -8.962 -4.687 -15.078 1.00 0.00 O ATOM 0 H GLU A 30 -6.353 -2.509 -12.481 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.752 -1.535 -11.160 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.940 -4.214 -12.342 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.484 -3.953 -11.556 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.045 -2.190 -13.236 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.499 -2.443 -14.021 1.00 0.00 H new ATOM 520 N GLU A 31 -6.711 -3.661 -9.579 1.00 0.00 N ATOM 521 CA GLU A 31 -6.223 -4.150 -8.271 1.00 0.00 C ATOM 522 C GLU A 31 -5.922 -3.056 -7.185 1.00 0.00 C ATOM 523 O GLU A 31 -6.104 -3.353 -6.006 1.00 0.00 O ATOM 524 CB GLU A 31 -5.026 -5.087 -8.608 1.00 0.00 C ATOM 525 CG GLU A 31 -4.605 -5.986 -7.422 1.00 0.00 C ATOM 526 CD GLU A 31 -5.660 -6.942 -6.856 1.00 0.00 C ATOM 527 OE1 GLU A 31 -6.194 -6.784 -5.759 1.00 0.00 O ATOM 528 OE2 GLU A 31 -5.926 -7.986 -7.705 1.00 0.00 O ATOM 0 H GLU A 31 -6.120 -3.962 -10.354 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.019 -4.687 -7.755 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.293 -5.717 -9.456 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.174 -4.481 -8.917 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.746 -6.579 -7.737 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.266 -5.340 -6.612 1.00 0.00 H new ATOM 536 N ILE A 32 -5.505 -1.819 -7.553 1.00 0.00 N ATOM 537 CA ILE A 32 -5.424 -0.632 -6.636 1.00 0.00 C ATOM 538 C ILE A 32 -6.836 -0.329 -6.014 1.00 0.00 C ATOM 539 O ILE A 32 -6.940 -0.168 -4.795 1.00 0.00 O ATOM 540 CB ILE A 32 -4.741 0.572 -7.409 1.00 0.00 C ATOM 541 CG1 ILE A 32 -3.195 0.617 -7.245 1.00 0.00 C ATOM 542 CG2 ILE A 32 -5.247 1.993 -7.043 1.00 0.00 C ATOM 543 CD1 ILE A 32 -2.360 -0.384 -8.045 1.00 0.00 C ATOM 0 H ILE A 32 -5.209 -1.605 -8.505 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.785 -0.830 -5.775 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.034 0.343 -8.434 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.860 1.620 -7.511 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.967 0.474 -6.189 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.709 2.734 -7.634 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -6.314 2.065 -7.255 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.074 2.179 -5.983 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.303 -0.232 -7.828 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.645 -1.399 -7.768 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.536 -0.236 -9.110 1.00 0.00 H new ATOM 555 N THR A 33 -7.895 -0.278 -6.855 1.00 0.00 N ATOM 556 CA THR A 33 -9.316 -0.136 -6.403 1.00 0.00 C ATOM 557 C THR A 33 -9.803 -1.194 -5.350 1.00 0.00 C ATOM 558 O THR A 33 -10.512 -0.837 -4.404 1.00 0.00 O ATOM 559 CB THR A 33 -10.262 0.152 -7.624 1.00 0.00 C ATOM 560 OG1 THR A 33 -10.980 1.356 -7.376 1.00 0.00 O ATOM 561 CG2 THR A 33 -11.302 -0.918 -8.001 1.00 0.00 C ATOM 0 H THR A 33 -7.798 -0.333 -7.869 1.00 0.00 H new ATOM 0 HA THR A 33 -9.372 0.757 -5.780 1.00 0.00 H new ATOM 0 HB THR A 33 -9.572 0.191 -8.467 1.00 0.00 H new ATOM 0 HG1 THR A 33 -11.572 1.545 -8.133 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.879 -0.577 -8.861 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.792 -1.848 -8.252 1.00 0.00 H new ATOM 0 HG23 THR A 33 -11.972 -1.087 -7.158 1.00 0.00 H new ATOM 569 N MET A 34 -9.392 -2.466 -5.511 1.00 0.00 N ATOM 570 CA MET A 34 -9.620 -3.558 -4.528 1.00 0.00 C ATOM 571 C MET A 34 -8.936 -3.339 -3.134 1.00 0.00 C ATOM 572 O MET A 34 -9.526 -3.712 -2.117 1.00 0.00 O ATOM 573 CB MET A 34 -9.099 -4.860 -5.195 1.00 0.00 C ATOM 574 CG MET A 34 -9.936 -5.419 -6.360 1.00 0.00 C ATOM 575 SD MET A 34 -9.075 -6.824 -7.097 1.00 0.00 S ATOM 576 CE MET A 34 -9.546 -6.664 -8.832 1.00 0.00 C ATOM 0 H MET A 34 -8.883 -2.775 -6.339 1.00 0.00 H new ATOM 0 HA MET A 34 -10.684 -3.599 -4.296 1.00 0.00 H new ATOM 0 HB2 MET A 34 -8.088 -4.676 -5.559 1.00 0.00 H new ATOM 0 HB3 MET A 34 -9.026 -5.630 -4.427 1.00 0.00 H new ATOM 0 HG2 MET A 34 -10.918 -5.728 -6.001 1.00 0.00 H new ATOM 0 HG3 MET A 34 -10.099 -4.645 -7.109 1.00 0.00 H new ATOM 0 HE1 MET A 34 -9.086 -7.466 -9.409 1.00 0.00 H new ATOM 0 HE2 MET A 34 -10.630 -6.727 -8.922 1.00 0.00 H new ATOM 0 HE3 MET A 34 -9.206 -5.701 -9.214 1.00 0.00 H new ATOM 586 N ILE A 35 -7.722 -2.741 -3.086 1.00 0.00 N ATOM 587 CA ILE A 35 -6.998 -2.395 -1.820 1.00 0.00 C ATOM 588 C ILE A 35 -7.794 -1.401 -0.925 1.00 0.00 C ATOM 589 O ILE A 35 -7.926 -1.655 0.275 1.00 0.00 O ATOM 590 CB ILE A 35 -5.539 -1.859 -2.072 1.00 0.00 C ATOM 591 CG1 ILE A 35 -4.658 -2.645 -3.075 1.00 0.00 C ATOM 592 CG2 ILE A 35 -4.745 -1.687 -0.752 1.00 0.00 C ATOM 593 CD1 ILE A 35 -4.563 -4.149 -2.833 1.00 0.00 C ATOM 0 H ILE A 35 -7.206 -2.479 -3.926 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.913 -3.337 -1.279 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.740 -0.899 -2.547 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.048 -2.481 -4.080 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.652 -2.227 -3.052 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.745 -1.315 -0.975 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.261 -0.976 -0.107 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.670 -2.649 -0.245 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.923 -4.600 -3.591 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.140 -4.333 -1.845 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.558 -4.590 -2.889 1.00 0.00 H new ATOM 605 N ALA A 36 -8.299 -0.287 -1.494 1.00 0.00 N ATOM 606 CA ALA A 36 -9.164 0.661 -0.727 1.00 0.00 C ATOM 607 C ALA A 36 -10.457 0.055 -0.117 1.00 0.00 C ATOM 608 O ALA A 36 -10.848 0.458 0.980 1.00 0.00 O ATOM 609 CB ALA A 36 -9.541 1.887 -1.550 1.00 0.00 C ATOM 0 H ALA A 36 -8.133 -0.016 -2.463 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.527 0.940 0.112 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.169 2.547 -0.952 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -8.637 2.418 -1.847 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.087 1.574 -2.440 1.00 0.00 H new ATOM 615 N ASP A 37 -11.100 -0.904 -0.814 1.00 0.00 N ATOM 616 CA ASP A 37 -12.267 -1.654 -0.281 1.00 0.00 C ATOM 617 C ASP A 37 -11.946 -2.496 0.993 1.00 0.00 C ATOM 618 O ASP A 37 -12.743 -2.497 1.935 1.00 0.00 O ATOM 619 CB ASP A 37 -12.817 -2.567 -1.412 1.00 0.00 C ATOM 620 CG ASP A 37 -14.276 -3.023 -1.237 1.00 0.00 C ATOM 621 OD1 ASP A 37 -15.144 -2.356 -0.675 1.00 0.00 O ATOM 622 OD2 ASP A 37 -14.496 -4.257 -1.793 1.00 0.00 O ATOM 0 H ASP A 37 -10.831 -1.183 -1.757 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.013 -0.925 0.035 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -12.731 -2.036 -2.360 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -12.183 -3.451 -1.483 1.00 0.00 H new ATOM 628 N GLN A 38 -10.774 -3.172 1.003 1.00 0.00 N ATOM 629 CA GLN A 38 -10.242 -3.906 2.187 1.00 0.00 C ATOM 630 C GLN A 38 -10.170 -3.008 3.472 1.00 0.00 C ATOM 631 O GLN A 38 -10.693 -3.430 4.507 1.00 0.00 O ATOM 632 CB GLN A 38 -8.877 -4.539 1.797 1.00 0.00 C ATOM 633 CG GLN A 38 -8.315 -5.552 2.818 1.00 0.00 C ATOM 634 CD GLN A 38 -6.929 -6.086 2.419 1.00 0.00 C ATOM 635 OE1 GLN A 38 -5.909 -5.428 2.622 1.00 0.00 O ATOM 636 NE2 GLN A 38 -6.858 -7.279 1.847 1.00 0.00 N ATOM 0 H GLN A 38 -10.163 -3.227 0.188 1.00 0.00 H new ATOM 0 HA GLN A 38 -10.931 -4.704 2.462 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -8.986 -5.038 0.834 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.148 -3.740 1.661 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -8.249 -5.077 3.797 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.008 -6.388 2.915 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.709 -7.817 1.683 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.953 -7.659 1.571 1.00 0.00 H new ATOM 645 N LEU A 39 -9.574 -1.792 3.394 1.00 0.00 N ATOM 646 CA LEU A 39 -9.613 -0.796 4.500 1.00 0.00 C ATOM 647 C LEU A 39 -10.626 0.314 4.093 1.00 0.00 C ATOM 648 O LEU A 39 -11.795 0.002 3.832 1.00 0.00 O ATOM 649 CB LEU A 39 -8.178 -0.457 5.021 1.00 0.00 C ATOM 650 CG LEU A 39 -7.149 0.481 4.312 1.00 0.00 C ATOM 651 CD1 LEU A 39 -5.728 0.206 4.856 1.00 0.00 C ATOM 652 CD2 LEU A 39 -7.096 0.453 2.781 1.00 0.00 C ATOM 0 H LEU A 39 -9.058 -1.474 2.574 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.024 -1.162 5.441 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.316 -0.044 6.020 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.672 -1.415 5.140 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.518 1.478 4.554 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.014 0.863 4.358 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.707 0.394 5.929 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.460 -0.833 4.664 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.338 1.153 2.430 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.845 -0.553 2.444 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.068 0.739 2.378 1.00 0.00 H new ATOM 664 N ASN A 40 -10.222 1.591 4.094 1.00 0.00 N ATOM 665 CA ASN A 40 -11.074 2.717 3.632 1.00 0.00 C ATOM 666 C ASN A 40 -10.076 3.826 3.206 1.00 0.00 C ATOM 667 O ASN A 40 -9.700 4.676 4.021 1.00 0.00 O ATOM 668 CB ASN A 40 -12.110 3.139 4.713 1.00 0.00 C ATOM 669 CG ASN A 40 -13.317 3.911 4.190 1.00 0.00 C ATOM 670 OD1 ASN A 40 -13.270 4.706 3.251 1.00 0.00 O ATOM 671 ND2 ASN A 40 -14.410 3.752 4.904 1.00 0.00 N ATOM 0 H ASN A 40 -9.298 1.882 4.413 1.00 0.00 H new ATOM 0 HA ASN A 40 -11.710 2.453 2.787 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -12.465 2.243 5.222 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -11.603 3.751 5.460 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -15.246 4.294 4.685 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -14.422 3.086 5.677 1.00 0.00 H new ATOM 678 N MET A 41 -9.634 3.782 1.936 1.00 0.00 N ATOM 679 CA MET A 41 -8.566 4.704 1.431 1.00 0.00 C ATOM 680 C MET A 41 -8.935 5.557 0.172 1.00 0.00 C ATOM 681 O MET A 41 -9.803 5.170 -0.617 1.00 0.00 O ATOM 682 CB MET A 41 -7.369 3.820 0.933 1.00 0.00 C ATOM 683 CG MET A 41 -5.995 4.337 1.375 1.00 0.00 C ATOM 684 SD MET A 41 -5.968 6.093 1.741 1.00 0.00 S ATOM 685 CE MET A 41 -4.735 5.906 2.982 1.00 0.00 C ATOM 0 H MET A 41 -9.987 3.129 1.236 1.00 0.00 H new ATOM 0 HA MET A 41 -8.369 5.377 2.265 1.00 0.00 H new ATOM 0 HB2 MET A 41 -7.501 2.803 1.303 1.00 0.00 H new ATOM 0 HB3 MET A 41 -7.395 3.769 -0.155 1.00 0.00 H new ATOM 0 HG2 MET A 41 -5.677 3.786 2.260 1.00 0.00 H new ATOM 0 HG3 MET A 41 -5.268 4.127 0.590 1.00 0.00 H new ATOM 0 HE1 MET A 41 -4.653 6.829 3.555 1.00 0.00 H new ATOM 0 HE2 MET A 41 -5.010 5.088 3.648 1.00 0.00 H new ATOM 0 HE3 MET A 41 -3.777 5.684 2.512 1.00 0.00 H new ATOM 695 N GLU A 42 -8.215 6.686 -0.040 1.00 0.00 N ATOM 696 CA GLU A 42 -8.116 7.331 -1.385 1.00 0.00 C ATOM 697 C GLU A 42 -6.974 6.633 -2.181 1.00 0.00 C ATOM 698 O GLU A 42 -5.878 6.415 -1.665 1.00 0.00 O ATOM 699 CB GLU A 42 -7.979 8.864 -1.466 1.00 0.00 C ATOM 700 CG GLU A 42 -8.965 9.652 -0.583 1.00 0.00 C ATOM 701 CD GLU A 42 -9.095 11.141 -0.921 1.00 0.00 C ATOM 702 OE1 GLU A 42 -9.343 11.562 -2.051 1.00 0.00 O ATOM 703 OE2 GLU A 42 -8.939 11.941 0.182 1.00 0.00 O ATOM 0 H GLU A 42 -7.696 7.170 0.693 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.103 7.181 -1.823 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.963 9.139 -1.184 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.116 9.172 -2.503 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.949 9.190 -0.663 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.652 9.558 0.457 1.00 0.00 H new ATOM 711 N LYS A 43 -7.246 6.291 -3.441 1.00 0.00 N ATOM 712 CA LYS A 43 -6.275 5.558 -4.326 1.00 0.00 C ATOM 713 C LYS A 43 -5.132 6.281 -5.053 1.00 0.00 C ATOM 714 O LYS A 43 -4.183 5.642 -5.522 1.00 0.00 O ATOM 715 CB LYS A 43 -7.053 4.630 -5.247 1.00 0.00 C ATOM 716 CG LYS A 43 -7.528 3.379 -4.460 1.00 0.00 C ATOM 717 CD LYS A 43 -9.024 3.122 -4.706 1.00 0.00 C ATOM 718 CE LYS A 43 -10.000 4.161 -4.114 1.00 0.00 C ATOM 719 NZ LYS A 43 -11.398 3.724 -4.260 1.00 0.00 N ATOM 0 H LYS A 43 -8.134 6.502 -3.896 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.659 5.038 -3.593 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.912 5.155 -5.665 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.426 4.326 -6.085 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.948 2.508 -4.766 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.348 3.523 -3.395 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.190 3.070 -5.782 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.275 2.144 -4.297 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.773 4.317 -3.059 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.862 5.119 -4.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.016 4.342 -3.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.676 3.778 -5.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.492 2.743 -3.927 1.00 0.00 H new ATOM 732 N GLU A 44 -5.210 7.604 -5.057 1.00 0.00 N ATOM 733 CA GLU A 44 -4.052 8.494 -5.388 1.00 0.00 C ATOM 734 C GLU A 44 -2.744 8.096 -4.607 1.00 0.00 C ATOM 735 O GLU A 44 -1.660 8.022 -5.186 1.00 0.00 O ATOM 736 CB GLU A 44 -4.471 9.961 -5.087 1.00 0.00 C ATOM 737 CG GLU A 44 -4.737 10.395 -3.620 1.00 0.00 C ATOM 738 CD GLU A 44 -5.364 11.784 -3.497 1.00 0.00 C ATOM 739 OE1 GLU A 44 -4.709 12.811 -3.323 1.00 0.00 O ATOM 740 OE2 GLU A 44 -6.731 11.745 -3.596 1.00 0.00 O ATOM 0 H GLU A 44 -6.066 8.112 -4.835 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.806 8.382 -6.444 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.691 10.611 -5.484 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.377 10.165 -5.657 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.395 9.665 -3.148 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.797 10.380 -3.069 1.00 0.00 H new ATOM 748 N VAL A 45 -2.941 7.765 -3.315 1.00 0.00 N ATOM 749 CA VAL A 45 -1.909 7.219 -2.399 1.00 0.00 C ATOM 750 C VAL A 45 -1.441 5.780 -2.735 1.00 0.00 C ATOM 751 O VAL A 45 -0.234 5.595 -2.831 1.00 0.00 O ATOM 752 CB VAL A 45 -2.200 7.374 -0.872 1.00 0.00 C ATOM 753 CG1 VAL A 45 -2.916 8.670 -0.481 1.00 0.00 C ATOM 754 CG2 VAL A 45 -2.927 6.269 -0.103 1.00 0.00 C ATOM 0 H VAL A 45 -3.849 7.872 -2.863 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.072 7.885 -2.606 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.154 7.340 -0.568 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.074 8.687 0.597 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.306 9.525 -0.772 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.879 8.722 -0.990 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.034 6.562 0.941 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.914 6.111 -0.539 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.352 5.345 -0.163 1.00 0.00 H new ATOM 764 N ILE A 46 -2.350 4.784 -2.874 1.00 0.00 N ATOM 765 CA ILE A 46 -1.947 3.348 -3.078 1.00 0.00 C ATOM 766 C ILE A 46 -0.955 3.110 -4.252 1.00 0.00 C ATOM 767 O ILE A 46 0.081 2.491 -4.050 1.00 0.00 O ATOM 768 CB ILE A 46 -3.041 2.217 -3.209 1.00 0.00 C ATOM 769 CG1 ILE A 46 -4.503 2.393 -2.787 1.00 0.00 C ATOM 770 CG2 ILE A 46 -2.497 0.927 -2.564 1.00 0.00 C ATOM 771 CD1 ILE A 46 -4.767 2.880 -1.379 1.00 0.00 C ATOM 0 H ILE A 46 -3.359 4.934 -2.851 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.495 3.229 -2.093 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.168 2.225 -4.292 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.971 3.093 -3.479 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.008 1.435 -2.912 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.243 0.136 -2.647 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.585 0.621 -3.076 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.278 1.110 -1.512 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.842 2.959 -1.217 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.343 2.174 -0.664 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.306 3.858 -1.240 1.00 0.00 H new ATOM 783 N ARG A 47 -1.315 3.600 -5.442 1.00 0.00 N ATOM 784 CA ARG A 47 -0.463 3.568 -6.667 1.00 0.00 C ATOM 785 C ARG A 47 0.946 4.220 -6.444 1.00 0.00 C ATOM 786 O ARG A 47 1.950 3.648 -6.865 1.00 0.00 O ATOM 787 CB ARG A 47 -1.285 4.283 -7.775 1.00 0.00 C ATOM 788 CG ARG A 47 -0.692 4.252 -9.203 1.00 0.00 C ATOM 789 CD ARG A 47 -1.541 5.002 -10.254 1.00 0.00 C ATOM 790 NE ARG A 47 -1.553 6.480 -10.069 1.00 0.00 N ATOM 791 CZ ARG A 47 -2.546 7.189 -9.491 1.00 0.00 C ATOM 792 NH1 ARG A 47 -3.668 6.652 -9.015 1.00 0.00 N ATOM 793 NH2 ARG A 47 -2.394 8.496 -9.385 1.00 0.00 N ATOM 0 H ARG A 47 -2.221 4.041 -5.599 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.232 2.542 -6.953 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.277 3.833 -7.808 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.417 5.325 -7.483 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.307 4.688 -9.180 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.579 3.214 -9.516 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.158 4.772 -11.248 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.565 4.631 -10.213 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.743 7.000 -10.407 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.817 5.645 -9.076 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.378 7.248 -8.590 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.545 8.941 -9.735 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.125 9.061 -8.953 1.00 0.00 H new ATOM 806 N VAL A 48 0.988 5.386 -5.763 1.00 0.00 N ATOM 807 CA VAL A 48 2.224 6.094 -5.331 1.00 0.00 C ATOM 808 C VAL A 48 3.035 5.275 -4.265 1.00 0.00 C ATOM 809 O VAL A 48 4.227 5.048 -4.489 1.00 0.00 O ATOM 810 CB VAL A 48 1.804 7.569 -4.962 1.00 0.00 C ATOM 811 CG1 VAL A 48 2.340 8.144 -3.640 1.00 0.00 C ATOM 812 CG2 VAL A 48 2.106 8.542 -6.119 1.00 0.00 C ATOM 0 H VAL A 48 0.139 5.880 -5.488 1.00 0.00 H new ATOM 0 HA VAL A 48 2.965 6.173 -6.126 1.00 0.00 H new ATOM 0 HB VAL A 48 0.731 7.476 -4.797 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.975 9.163 -3.512 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.996 7.528 -2.809 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.430 8.149 -3.661 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.805 9.550 -5.834 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.174 8.529 -6.336 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.552 8.235 -7.006 1.00 0.00 H new ATOM 822 N TRP A 49 2.423 4.835 -3.135 1.00 0.00 N ATOM 823 CA TRP A 49 3.089 3.939 -2.141 1.00 0.00 C ATOM 824 C TRP A 49 3.641 2.613 -2.767 1.00 0.00 C ATOM 825 O TRP A 49 4.796 2.261 -2.523 1.00 0.00 O ATOM 826 CB TRP A 49 2.129 3.630 -0.953 1.00 0.00 C ATOM 827 CG TRP A 49 2.879 3.099 0.278 1.00 0.00 C ATOM 828 CD1 TRP A 49 3.612 3.890 1.186 1.00 0.00 C ATOM 829 CD2 TRP A 49 3.254 1.793 0.539 1.00 0.00 C ATOM 830 NE1 TRP A 49 4.435 3.107 2.011 1.00 0.00 N ATOM 831 CE2 TRP A 49 4.216 1.815 1.576 1.00 0.00 C ATOM 832 CE3 TRP A 49 2.938 0.576 -0.122 1.00 0.00 C ATOM 833 CZ2 TRP A 49 4.907 0.639 1.924 1.00 0.00 C ATOM 834 CZ3 TRP A 49 3.644 -0.577 0.231 1.00 0.00 C ATOM 835 CH2 TRP A 49 4.651 -0.524 1.204 1.00 0.00 C ATOM 0 H TRP A 49 1.466 5.085 -2.885 1.00 0.00 H new ATOM 0 HA TRP A 49 3.957 4.484 -1.771 1.00 0.00 H new ATOM 0 HB2 TRP A 49 1.586 4.535 -0.682 1.00 0.00 H new ATOM 0 HB3 TRP A 49 1.388 2.896 -1.269 1.00 0.00 H new ATOM 0 HD1 TRP A 49 3.548 4.967 1.240 1.00 0.00 H new ATOM 0 HE1 TRP A 49 5.053 3.421 2.760 1.00 0.00 H new ATOM 0 HE3 TRP A 49 2.170 0.543 -0.880 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 5.622 0.639 2.734 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 3.412 -1.516 -0.250 1.00 0.00 H new ATOM 0 HH2 TRP A 49 5.242 -1.406 1.400 1.00 0.00 H new ATOM 846 N PHE A 50 2.805 1.899 -3.548 1.00 0.00 N ATOM 847 CA PHE A 50 3.192 0.691 -4.314 1.00 0.00 C ATOM 848 C PHE A 50 4.350 0.922 -5.349 1.00 0.00 C ATOM 849 O PHE A 50 5.171 0.019 -5.522 1.00 0.00 O ATOM 850 CB PHE A 50 1.888 0.080 -4.931 1.00 0.00 C ATOM 851 CG PHE A 50 0.996 -0.908 -4.109 1.00 0.00 C ATOM 852 CD1 PHE A 50 1.441 -1.514 -2.932 1.00 0.00 C ATOM 853 CD2 PHE A 50 -0.227 -1.338 -4.643 1.00 0.00 C ATOM 854 CE1 PHE A 50 0.810 -2.639 -2.420 1.00 0.00 C ATOM 855 CE2 PHE A 50 -0.894 -2.440 -4.100 1.00 0.00 C ATOM 856 CZ PHE A 50 -0.324 -3.155 -3.037 1.00 0.00 C ATOM 0 H PHE A 50 1.823 2.148 -3.668 1.00 0.00 H new ATOM 0 HA PHE A 50 3.643 -0.033 -3.636 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.252 0.915 -5.226 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.179 -0.437 -5.845 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.291 -1.100 -2.411 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.658 -0.813 -5.482 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.203 -3.118 -1.535 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.851 -2.741 -4.500 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.757 -4.087 -2.705 1.00 0.00 H new ATOM 866 N CYS A 51 4.442 2.109 -5.993 1.00 0.00 N ATOM 867 CA CYS A 51 5.608 2.519 -6.835 1.00 0.00 C ATOM 868 C CYS A 51 6.980 2.593 -6.083 1.00 0.00 C ATOM 869 O CYS A 51 8.012 2.196 -6.629 1.00 0.00 O ATOM 870 CB CYS A 51 5.323 3.920 -7.431 1.00 0.00 C ATOM 871 SG CYS A 51 6.318 4.181 -8.934 1.00 0.00 S ATOM 0 H CYS A 51 3.710 2.818 -5.948 1.00 0.00 H new ATOM 0 HA CYS A 51 5.709 1.741 -7.591 1.00 0.00 H new ATOM 0 HB2 CYS A 51 4.263 4.013 -7.667 1.00 0.00 H new ATOM 0 HB3 CYS A 51 5.555 4.690 -6.695 1.00 0.00 H new ATOM 0 HG CYS A 51 6.066 5.359 -9.422 1.00 0.00 H new ATOM 877 N ASN A 52 6.945 3.065 -4.820 1.00 0.00 N ATOM 878 CA ASN A 52 8.139 3.230 -3.948 1.00 0.00 C ATOM 879 C ASN A 52 8.568 1.877 -3.289 1.00 0.00 C ATOM 880 O ASN A 52 9.760 1.562 -3.337 1.00 0.00 O ATOM 881 CB ASN A 52 7.811 4.342 -2.908 1.00 0.00 C ATOM 882 CG ASN A 52 9.049 4.939 -2.210 1.00 0.00 C ATOM 883 OD1 ASN A 52 9.691 4.302 -1.375 1.00 0.00 O ATOM 884 ND2 ASN A 52 9.396 6.176 -2.534 1.00 0.00 N ATOM 0 H ASN A 52 6.077 3.348 -4.365 1.00 0.00 H new ATOM 0 HA ASN A 52 9.004 3.536 -4.536 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.268 5.144 -3.409 1.00 0.00 H new ATOM 0 HB3 ASN A 52 7.144 3.930 -2.151 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.204 6.612 -2.090 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.855 6.692 -3.228 1.00 0.00 H new ATOM 891 N ARG A 53 7.638 1.075 -2.714 1.00 0.00 N ATOM 892 CA ARG A 53 7.927 -0.301 -2.219 1.00 0.00 C ATOM 893 C ARG A 53 8.500 -1.299 -3.270 1.00 0.00 C ATOM 894 O ARG A 53 9.365 -2.111 -2.949 1.00 0.00 O ATOM 895 CB ARG A 53 6.609 -0.845 -1.612 1.00 0.00 C ATOM 896 CG ARG A 53 6.739 -2.142 -0.786 1.00 0.00 C ATOM 897 CD ARG A 53 7.716 -2.021 0.398 1.00 0.00 C ATOM 898 NE ARG A 53 7.397 -2.673 1.698 1.00 0.00 N ATOM 899 CZ ARG A 53 7.077 -3.971 1.872 1.00 0.00 C ATOM 900 NH1 ARG A 53 7.005 -4.853 0.894 1.00 0.00 N ATOM 901 NH2 ARG A 53 6.782 -4.396 3.078 1.00 0.00 N ATOM 0 H ARG A 53 6.668 1.360 -2.579 1.00 0.00 H new ATOM 0 HA ARG A 53 8.732 -0.220 -1.488 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.177 -0.072 -0.976 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.903 -1.022 -2.423 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.756 -2.423 -0.408 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.071 -2.948 -1.440 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.677 -2.414 0.066 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.856 -0.958 0.595 1.00 0.00 H new ATOM 0 HE ARG A 53 7.423 -2.085 2.531 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.198 -4.567 -0.066 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.757 -5.821 1.098 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.797 -3.748 3.865 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.538 -5.375 3.228 1.00 0.00 H new ATOM 914 N ARG A 54 7.999 -1.228 -4.510 1.00 0.00 N ATOM 915 CA ARG A 54 8.527 -1.994 -5.680 1.00 0.00 C ATOM 916 C ARG A 54 10.065 -1.804 -5.938 1.00 0.00 C ATOM 917 O ARG A 54 10.734 -2.767 -6.323 1.00 0.00 O ATOM 918 CB ARG A 54 7.675 -1.625 -6.922 1.00 0.00 C ATOM 919 CG ARG A 54 7.921 -2.478 -8.192 1.00 0.00 C ATOM 920 CD ARG A 54 7.183 -1.967 -9.445 1.00 0.00 C ATOM 921 NE ARG A 54 7.771 -0.696 -9.948 1.00 0.00 N ATOM 922 CZ ARG A 54 7.077 0.402 -10.304 1.00 0.00 C ATOM 923 NH1 ARG A 54 5.749 0.486 -10.284 1.00 0.00 N ATOM 924 NH2 ARG A 54 7.760 1.461 -10.699 1.00 0.00 N ATOM 0 H ARG A 54 7.205 -0.633 -4.747 1.00 0.00 H new ATOM 0 HA ARG A 54 8.434 -3.057 -5.457 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.622 -1.706 -6.653 1.00 0.00 H new ATOM 0 HB3 ARG A 54 7.862 -0.580 -7.169 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.991 -2.503 -8.398 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.611 -3.504 -7.994 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.228 -2.724 -10.228 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.130 -1.813 -9.210 1.00 0.00 H new ATOM 0 HE ARG A 54 8.787 -0.653 -10.030 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.192 -0.314 -9.985 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.288 1.351 -10.568 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.779 1.429 -10.727 1.00 0.00 H new ATOM 0 HH22 ARG A 54 7.268 2.311 -10.976 1.00 0.00 H new ATOM 937 N GLN A 55 10.608 -0.592 -5.697 1.00 0.00 N ATOM 938 CA GLN A 55 12.064 -0.302 -5.793 1.00 0.00 C ATOM 939 C GLN A 55 12.874 -0.617 -4.484 1.00 0.00 C ATOM 940 O GLN A 55 14.101 -0.721 -4.577 1.00 0.00 O ATOM 941 CB GLN A 55 12.280 1.184 -6.209 1.00 0.00 C ATOM 942 CG GLN A 55 11.620 1.680 -7.523 1.00 0.00 C ATOM 943 CD GLN A 55 12.000 0.902 -8.796 1.00 0.00 C ATOM 944 OE1 GLN A 55 11.322 -0.047 -9.187 1.00 0.00 O ATOM 945 NE2 GLN A 55 13.079 1.284 -9.463 1.00 0.00 N ATOM 0 H GLN A 55 10.051 0.219 -5.429 1.00 0.00 H new ATOM 0 HA GLN A 55 12.456 -0.976 -6.555 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.918 1.813 -5.396 1.00 0.00 H new ATOM 0 HB3 GLN A 55 13.354 1.355 -6.290 1.00 0.00 H new ATOM 0 HG2 GLN A 55 10.537 1.637 -7.403 1.00 0.00 H new ATOM 0 HG3 GLN A 55 11.884 2.728 -7.667 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.633 2.073 -9.128 1.00 0.00 H new ATOM 0 HE22 GLN A 55 13.356 0.790 -10.311 1.00 0.00 H new ATOM 954 N LYS A 56 12.242 -0.749 -3.290 1.00 0.00 N ATOM 955 CA LYS A 56 12.919 -1.156 -2.038 1.00 0.00 C ATOM 956 C LYS A 56 11.853 -1.922 -1.228 1.00 0.00 C ATOM 957 O LYS A 56 11.042 -1.408 -0.453 1.00 0.00 O ATOM 958 CB LYS A 56 13.664 -0.092 -1.232 1.00 0.00 C ATOM 959 CG LYS A 56 12.994 1.287 -1.037 1.00 0.00 C ATOM 960 CD LYS A 56 13.856 2.248 -0.199 1.00 0.00 C ATOM 961 CE LYS A 56 13.184 3.617 0.008 1.00 0.00 C ATOM 962 NZ LYS A 56 14.028 4.513 0.817 1.00 0.00 N ATOM 0 H LYS A 56 11.244 -0.575 -3.171 1.00 0.00 H new ATOM 0 HA LYS A 56 13.777 -1.772 -2.306 1.00 0.00 H new ATOM 0 HB2 LYS A 56 13.866 -0.505 -0.244 1.00 0.00 H new ATOM 0 HB3 LYS A 56 14.629 0.073 -1.712 1.00 0.00 H new ATOM 0 HG2 LYS A 56 12.800 1.734 -2.012 1.00 0.00 H new ATOM 0 HG3 LYS A 56 12.028 1.152 -0.550 1.00 0.00 H new ATOM 0 HD2 LYS A 56 14.058 1.796 0.772 1.00 0.00 H new ATOM 0 HD3 LYS A 56 14.818 2.390 -0.691 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.986 4.077 -0.960 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.220 3.481 0.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.547 5.427 0.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 14.196 4.084 1.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 14.938 4.662 0.335 1.00 0.00 H new ATOM 975 N GLU A 57 11.935 -3.206 -1.532 1.00 0.00 N ATOM 976 CA GLU A 57 11.051 -4.287 -1.014 1.00 0.00 C ATOM 977 C GLU A 57 11.293 -4.543 0.503 1.00 0.00 C ATOM 978 O GLU A 57 10.379 -4.371 1.313 1.00 0.00 O ATOM 979 CB GLU A 57 11.217 -5.579 -1.865 1.00 0.00 C ATOM 980 CG GLU A 57 10.751 -5.448 -3.338 1.00 0.00 C ATOM 981 CD GLU A 57 11.891 -5.367 -4.359 1.00 0.00 C ATOM 982 OE1 GLU A 57 12.527 -4.337 -4.583 1.00 0.00 O ATOM 983 OE2 GLU A 57 12.116 -6.568 -4.981 1.00 0.00 O ATOM 0 H GLU A 57 12.644 -3.560 -2.174 1.00 0.00 H new ATOM 0 HA GLU A 57 10.015 -3.961 -1.110 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.267 -5.872 -1.855 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.656 -6.385 -1.391 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.120 -6.302 -3.584 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.131 -4.556 -3.432 1.00 0.00 H new ATOM 991 N LYS A 58 12.533 -4.932 0.854 1.00 0.00 N ATOM 992 CA LYS A 58 12.976 -5.141 2.251 1.00 0.00 C ATOM 993 C LYS A 58 13.874 -3.937 2.628 1.00 0.00 C ATOM 994 O LYS A 58 13.417 -2.879 3.070 1.00 0.00 O ATOM 995 CB LYS A 58 13.478 -6.615 2.412 1.00 0.00 C ATOM 996 CG LYS A 58 13.956 -7.040 3.821 1.00 0.00 C ATOM 997 CD LYS A 58 12.851 -7.109 4.899 1.00 0.00 C ATOM 998 CE LYS A 58 13.342 -7.540 6.296 1.00 0.00 C ATOM 999 NZ LYS A 58 13.748 -8.957 6.365 1.00 0.00 N ATOM 0 H LYS A 58 13.267 -5.113 0.169 1.00 0.00 H new ATOM 0 HA LYS A 58 12.203 -5.112 3.019 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.671 -7.283 2.111 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.299 -6.772 1.713 1.00 0.00 H new ATOM 0 HG2 LYS A 58 14.430 -8.019 3.746 1.00 0.00 H new ATOM 0 HG3 LYS A 58 14.722 -6.340 4.154 1.00 0.00 H new ATOM 0 HD2 LYS A 58 12.380 -6.130 4.980 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.082 -7.806 4.568 1.00 0.00 H new ATOM 0 HE2 LYS A 58 14.186 -6.914 6.585 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.549 -7.361 7.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 14.067 -9.180 7.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.939 -9.562 6.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 14.525 -9.129 5.695 1.00 0.00 H new ATOM 1012 N ARG A 59 15.150 -4.176 2.405 1.00 0.00 N ATOM 1013 CA ARG A 59 16.273 -3.241 2.688 1.00 0.00 C ATOM 1014 C ARG A 59 17.281 -3.199 1.497 1.00 0.00 C ATOM 1015 O ARG A 59 17.202 -3.969 0.531 1.00 0.00 O ATOM 1016 CB ARG A 59 16.950 -3.633 4.042 1.00 0.00 C ATOM 1017 CG ARG A 59 16.170 -3.340 5.350 1.00 0.00 C ATOM 1018 CD ARG A 59 16.131 -1.863 5.805 1.00 0.00 C ATOM 1019 NE ARG A 59 15.160 -1.044 5.035 1.00 0.00 N ATOM 1020 CZ ARG A 59 15.312 0.256 4.718 1.00 0.00 C ATOM 1021 NH1 ARG A 59 16.356 0.997 5.084 1.00 0.00 N ATOM 1022 NH2 ARG A 59 14.368 0.832 3.996 1.00 0.00 N ATOM 0 H ARG A 59 15.470 -5.058 2.005 1.00 0.00 H new ATOM 0 HA ARG A 59 15.887 -2.227 2.792 1.00 0.00 H new ATOM 0 HB2 ARG A 59 17.165 -4.701 4.012 1.00 0.00 H new ATOM 0 HB3 ARG A 59 17.908 -3.116 4.100 1.00 0.00 H new ATOM 0 HG2 ARG A 59 15.144 -3.686 5.222 1.00 0.00 H new ATOM 0 HG3 ARG A 59 16.609 -3.934 6.151 1.00 0.00 H new ATOM 0 HD2 ARG A 59 15.874 -1.821 6.863 1.00 0.00 H new ATOM 0 HD3 ARG A 59 17.126 -1.430 5.701 1.00 0.00 H new ATOM 0 HE ARG A 59 14.306 -1.505 4.720 1.00 0.00 H new ATOM 0 HH11 ARG A 59 17.105 0.584 5.640 1.00 0.00 H new ATOM 0 HH12 ARG A 59 16.407 1.978 4.808 1.00 0.00 H new ATOM 0 HH21 ARG A 59 13.555 0.294 3.696 1.00 0.00 H new ATOM 0 HH22 ARG A 59 14.452 1.815 3.738 1.00 0.00 H new ATOM 1035 N ILE A 60 18.257 -2.274 1.596 1.00 0.00 N ATOM 1036 CA ILE A 60 19.310 -2.062 0.558 1.00 0.00 C ATOM 1037 C ILE A 60 20.478 -3.052 0.840 1.00 0.00 C ATOM 1038 O ILE A 60 20.595 -4.092 0.185 1.00 0.00 O ATOM 1039 CB ILE A 60 19.678 -0.535 0.397 1.00 0.00 C ATOM 1040 CG1 ILE A 60 18.477 0.435 0.169 1.00 0.00 C ATOM 1041 CG2 ILE A 60 20.764 -0.289 -0.682 1.00 0.00 C ATOM 1042 CD1 ILE A 60 17.594 0.178 -1.065 1.00 0.00 C ATOM 0 H ILE A 60 18.345 -1.647 2.396 1.00 0.00 H new ATOM 0 HA ILE A 60 18.951 -2.306 -0.442 1.00 0.00 H new ATOM 0 HB ILE A 60 20.079 -0.287 1.380 1.00 0.00 H new ATOM 0 HG12 ILE A 60 17.841 0.400 1.054 1.00 0.00 H new ATOM 0 HG13 ILE A 60 18.870 1.449 0.099 1.00 0.00 H new ATOM 0 HG21 ILE A 60 20.976 0.778 -0.748 1.00 0.00 H new ATOM 0 HG22 ILE A 60 21.674 -0.824 -0.411 1.00 0.00 H new ATOM 0 HG23 ILE A 60 20.406 -0.648 -1.647 1.00 0.00 H new ATOM 0 HD11 ILE A 60 16.798 0.922 -1.104 1.00 0.00 H new ATOM 0 HD12 ILE A 60 18.201 0.248 -1.968 1.00 0.00 H new ATOM 0 HD13 ILE A 60 17.156 -0.818 -0.998 1.00 0.00 H new ATOM 1054 N ASP A 61 21.293 -2.710 1.838 1.00 0.00 N ATOM 1055 CA ASP A 61 22.443 -3.536 2.294 1.00 0.00 C ATOM 1056 C ASP A 61 21.922 -4.499 3.397 1.00 0.00 C ATOM 1057 O ASP A 61 21.681 -4.090 4.539 1.00 0.00 O ATOM 1058 CB ASP A 61 23.611 -2.645 2.797 1.00 0.00 C ATOM 1059 CG ASP A 61 24.343 -1.860 1.697 1.00 0.00 C ATOM 1060 OD1 ASP A 61 25.295 -2.312 1.062 1.00 0.00 O ATOM 1061 OD2 ASP A 61 23.809 -0.611 1.506 1.00 0.00 O ATOM 0 H ASP A 61 21.184 -1.845 2.367 1.00 0.00 H new ATOM 0 HA ASP A 61 22.849 -4.117 1.465 1.00 0.00 H new ATOM 0 HB2 ASP A 61 23.221 -1.938 3.530 1.00 0.00 H new ATOM 0 HB3 ASP A 61 24.333 -3.276 3.316 1.00 0.00 H new ATOM 1067 N ILE A 62 21.726 -5.776 3.018 1.00 0.00 N ATOM 1068 CA ILE A 62 21.179 -6.825 3.921 1.00 0.00 C ATOM 1069 C ILE A 62 21.835 -8.185 3.567 1.00 0.00 C ATOM 1070 O ILE A 62 22.480 -8.845 4.382 1.00 0.00 O ATOM 1071 CB ILE A 62 19.607 -6.811 3.988 1.00 0.00 C ATOM 1072 CG1 ILE A 62 19.064 -7.733 5.119 1.00 0.00 C ATOM 1073 CG2 ILE A 62 18.892 -7.073 2.634 1.00 0.00 C ATOM 1074 CD1 ILE A 62 17.596 -7.510 5.518 1.00 0.00 C ATOM 1075 OXT ILE A 62 21.622 -8.572 2.265 1.00 0.00 O ATOM 0 H ILE A 62 21.940 -6.116 2.081 1.00 0.00 H new ATOM 0 HA ILE A 62 21.451 -6.612 4.955 1.00 0.00 H new ATOM 0 HB ILE A 62 19.353 -5.781 4.239 1.00 0.00 H new ATOM 0 HG12 ILE A 62 19.182 -8.770 4.804 1.00 0.00 H new ATOM 0 HG13 ILE A 62 19.686 -7.596 6.004 1.00 0.00 H new ATOM 0 HG21 ILE A 62 17.812 -7.044 2.781 1.00 0.00 H new ATOM 0 HG22 ILE A 62 19.181 -6.306 1.915 1.00 0.00 H new ATOM 0 HG23 ILE A 62 19.180 -8.053 2.254 1.00 0.00 H new ATOM 0 HD11 ILE A 62 17.325 -8.205 6.313 1.00 0.00 H new ATOM 0 HD12 ILE A 62 17.466 -6.487 5.871 1.00 0.00 H new ATOM 0 HD13 ILE A 62 16.954 -7.679 4.653 1.00 0.00 H new TER 1088 ILE A 62