USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 554 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 33 THR OG1 : rot 180:sc= 0.0936 USER MOD Set 1.2: A 43 LYS NZ :NH3+ -122:sc= 0.0923 (180deg=0) USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.0716) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 41:sc= 0.987 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 160:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.308 X(o=-0.31,f=-0.31) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0.089) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 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=-0.00523 X(o=-0.0052,f=-0.29) USER MOD Single : A 41 MET CE :methyl -174:sc= -1.82 (180deg=-1.91) 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= 0.0406 K(o=0.041,f=-1.2) 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 -20.152 12.099 -4.874 1.00 0.00 N ATOM 2 CA ARG A 1 -19.834 13.037 -3.772 1.00 0.00 C ATOM 3 C ARG A 1 -18.853 12.397 -2.748 1.00 0.00 C ATOM 4 O ARG A 1 -17.729 12.889 -2.612 1.00 0.00 O ATOM 5 CB ARG A 1 -21.141 13.601 -3.147 1.00 0.00 C ATOM 6 CG ARG A 1 -20.927 14.799 -2.188 1.00 0.00 C ATOM 7 CD ARG A 1 -22.207 15.315 -1.496 1.00 0.00 C ATOM 8 NE ARG A 1 -22.659 14.448 -0.375 1.00 0.00 N ATOM 9 CZ ARG A 1 -23.688 13.579 -0.421 1.00 0.00 C ATOM 10 NH1 ARG A 1 -24.447 13.376 -1.495 1.00 0.00 N ATOM 11 NH2 ARG A 1 -23.961 12.886 0.669 1.00 0.00 N ATOM 0 H1 ARG A 1 -20.808 12.555 -5.540 1.00 0.00 H new ATOM 0 H2 ARG A 1 -19.277 11.840 -5.373 1.00 0.00 H new ATOM 0 H3 ARG A 1 -20.595 11.243 -4.484 1.00 0.00 H new ATOM 0 HA ARG A 1 -19.298 13.898 -4.172 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -21.810 13.910 -3.951 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -21.644 12.801 -2.603 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -20.209 14.508 -1.421 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -20.479 15.619 -2.749 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -22.027 16.321 -1.118 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -23.006 15.389 -2.234 1.00 0.00 H new ATOM 0 HE ARG A 1 -22.146 14.517 0.504 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -24.265 13.895 -2.354 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -25.211 12.701 -1.459 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -23.400 13.017 1.511 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -24.733 12.219 0.670 1.00 0.00 H new ATOM 23 N ARG A 2 -19.270 11.329 -2.031 1.00 0.00 N ATOM 24 CA ARG A 2 -18.438 10.680 -0.983 1.00 0.00 C ATOM 25 C ARG A 2 -17.545 9.576 -1.616 1.00 0.00 C ATOM 26 O ARG A 2 -18.027 8.497 -1.980 1.00 0.00 O ATOM 27 CB ARG A 2 -19.332 10.109 0.158 1.00 0.00 C ATOM 28 CG ARG A 2 -20.285 11.084 0.895 1.00 0.00 C ATOM 29 CD ARG A 2 -19.598 12.279 1.584 1.00 0.00 C ATOM 30 NE ARG A 2 -20.595 13.119 2.290 1.00 0.00 N ATOM 31 CZ ARG A 2 -20.373 14.376 2.722 1.00 0.00 C ATOM 32 NH1 ARG A 2 -19.216 15.020 2.575 1.00 0.00 N ATOM 33 NH2 ARG A 2 -21.362 15.008 3.326 1.00 0.00 N ATOM 0 H ARG A 2 -20.184 10.893 -2.158 1.00 0.00 H new ATOM 0 HA ARG A 2 -17.783 11.430 -0.539 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -19.937 9.306 -0.262 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -18.676 9.658 0.902 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -21.012 11.467 0.179 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -20.842 10.524 1.646 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -18.852 11.918 2.292 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -19.069 12.878 0.843 1.00 0.00 H new ATOM 0 HE ARG A 2 -21.516 12.716 2.461 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -18.432 14.561 2.112 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -19.114 15.972 2.926 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -22.261 14.544 3.454 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -21.227 15.960 3.665 1.00 0.00 H new ATOM 46 N ARG A 3 -16.239 9.873 -1.743 1.00 0.00 N ATOM 47 CA ARG A 3 -15.241 8.934 -2.330 1.00 0.00 C ATOM 48 C ARG A 3 -14.688 7.864 -1.334 1.00 0.00 C ATOM 49 O ARG A 3 -14.545 6.707 -1.737 1.00 0.00 O ATOM 50 CB ARG A 3 -14.081 9.753 -2.969 1.00 0.00 C ATOM 51 CG ARG A 3 -13.208 8.959 -3.977 1.00 0.00 C ATOM 52 CD ARG A 3 -11.866 9.610 -4.363 1.00 0.00 C ATOM 53 NE ARG A 3 -12.011 10.903 -5.078 1.00 0.00 N ATOM 54 CZ ARG A 3 -10.985 11.610 -5.591 1.00 0.00 C ATOM 55 NH1 ARG A 3 -9.712 11.225 -5.533 1.00 0.00 N ATOM 56 NH2 ARG A 3 -11.258 12.754 -6.190 1.00 0.00 N ATOM 0 H ARG A 3 -15.838 10.763 -1.446 1.00 0.00 H new ATOM 0 HA ARG A 3 -15.767 8.357 -3.090 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -14.503 10.620 -3.478 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -13.440 10.132 -2.173 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -13.004 7.975 -3.555 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -13.789 8.802 -4.886 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -11.277 9.769 -3.460 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -11.305 8.919 -4.992 1.00 0.00 H new ATOM 0 HE ARG A 3 -12.951 11.282 -5.188 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -9.465 10.346 -5.079 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -8.983 11.809 -5.943 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -12.223 13.079 -6.254 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -10.504 13.313 -6.589 1.00 0.00 H new ATOM 69 N LYS A 4 -14.355 8.250 -0.078 1.00 0.00 N ATOM 70 CA LYS A 4 -13.719 7.372 0.949 1.00 0.00 C ATOM 71 C LYS A 4 -12.202 7.272 0.607 1.00 0.00 C ATOM 72 O LYS A 4 -11.771 6.344 -0.086 1.00 0.00 O ATOM 73 CB LYS A 4 -14.390 5.995 1.250 1.00 0.00 C ATOM 74 CG LYS A 4 -15.775 6.019 1.940 1.00 0.00 C ATOM 75 CD LYS A 4 -16.975 6.341 1.024 1.00 0.00 C ATOM 76 CE LYS A 4 -18.326 6.205 1.747 1.00 0.00 C ATOM 77 NZ LYS A 4 -19.455 6.476 0.840 1.00 0.00 N ATOM 0 H LYS A 4 -14.522 9.197 0.261 1.00 0.00 H new ATOM 0 HA LYS A 4 -13.878 7.855 1.913 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -14.491 5.455 0.308 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -13.710 5.418 1.877 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -15.946 5.047 2.404 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -15.747 6.755 2.743 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -16.873 7.357 0.641 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -16.959 5.673 0.163 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -18.421 5.199 2.157 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -18.360 6.897 2.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -20.316 6.644 1.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -19.245 7.318 0.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -19.602 5.658 0.214 1.00 0.00 H new ATOM 90 N LYS A 5 -11.417 8.263 1.080 1.00 0.00 N ATOM 91 CA LYS A 5 -9.969 8.378 0.762 1.00 0.00 C ATOM 92 C LYS A 5 -9.128 8.940 1.949 1.00 0.00 C ATOM 93 O LYS A 5 -9.626 9.663 2.819 1.00 0.00 O ATOM 94 CB LYS A 5 -9.774 9.228 -0.530 1.00 0.00 C ATOM 95 CG LYS A 5 -10.236 10.711 -0.502 1.00 0.00 C ATOM 96 CD LYS A 5 -9.601 11.610 -1.584 1.00 0.00 C ATOM 97 CE LYS A 5 -8.136 11.999 -1.298 1.00 0.00 C ATOM 98 NZ LYS A 5 -7.587 12.860 -2.359 1.00 0.00 N ATOM 0 H LYS A 5 -11.762 9.004 1.690 1.00 0.00 H new ATOM 0 HA LYS A 5 -9.593 7.371 0.584 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -8.714 9.213 -0.783 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -10.303 8.728 -1.342 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -11.320 10.741 -0.616 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -10.006 11.129 0.478 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.648 11.095 -2.543 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.195 12.519 -1.681 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.077 12.517 -0.341 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.530 11.097 -1.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.601 13.102 -2.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.621 12.356 -3.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.151 13.731 -2.425 1.00 0.00 H new ATOM 111 N ARG A 6 -7.825 8.605 1.938 1.00 0.00 N ATOM 112 CA ARG A 6 -6.831 9.101 2.926 1.00 0.00 C ATOM 113 C ARG A 6 -5.446 9.153 2.246 1.00 0.00 C ATOM 114 O ARG A 6 -5.002 8.204 1.591 1.00 0.00 O ATOM 115 CB ARG A 6 -6.820 8.234 4.212 1.00 0.00 C ATOM 116 CG ARG A 6 -5.684 8.441 5.249 1.00 0.00 C ATOM 117 CD ARG A 6 -5.709 7.472 6.449 1.00 0.00 C ATOM 118 NE ARG A 6 -6.894 7.646 7.332 1.00 0.00 N ATOM 119 CZ ARG A 6 -7.932 6.790 7.423 1.00 0.00 C ATOM 120 NH1 ARG A 6 -8.027 5.652 6.738 1.00 0.00 N ATOM 121 NH2 ARG A 6 -8.920 7.100 8.242 1.00 0.00 N ATOM 0 H ARG A 6 -7.423 7.978 1.241 1.00 0.00 H new ATOM 0 HA ARG A 6 -7.106 10.105 3.249 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.768 8.395 4.726 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -6.798 7.189 3.904 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -4.726 8.340 4.740 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -5.738 9.462 5.625 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -5.690 6.447 6.078 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -4.803 7.614 7.039 1.00 0.00 H new ATOM 0 HE ARG A 6 -6.924 8.481 7.916 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -7.284 5.381 6.094 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -8.843 5.052 6.857 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -8.883 7.965 8.782 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -9.721 6.475 8.335 1.00 0.00 H new ATOM 134 N THR A 7 -4.760 10.277 2.496 1.00 0.00 N ATOM 135 CA THR A 7 -3.344 10.468 2.040 1.00 0.00 C ATOM 136 C THR A 7 -2.446 10.870 3.250 1.00 0.00 C ATOM 137 O THR A 7 -1.854 11.953 3.310 1.00 0.00 O ATOM 138 CB THR A 7 -3.127 11.329 0.751 1.00 0.00 C ATOM 139 OG1 THR A 7 -3.021 12.722 1.033 1.00 0.00 O ATOM 140 CG2 THR A 7 -4.171 11.210 -0.364 1.00 0.00 C ATOM 0 H THR A 7 -5.144 11.072 3.006 1.00 0.00 H new ATOM 0 HA THR A 7 -3.016 9.495 1.674 1.00 0.00 H new ATOM 0 HB THR A 7 -2.197 10.893 0.385 1.00 0.00 H new ATOM 0 HG1 THR A 7 -2.477 12.852 1.838 1.00 0.00 H new ATOM 0 HG21 THR A 7 -3.893 11.861 -1.193 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.216 10.178 -0.712 1.00 0.00 H new ATOM 0 HG23 THR A 7 -5.148 11.507 0.019 1.00 0.00 H new ATOM 148 N SER A 8 -2.350 9.952 4.222 1.00 0.00 N ATOM 149 CA SER A 8 -1.539 10.129 5.444 1.00 0.00 C ATOM 150 C SER A 8 -1.095 8.715 5.868 1.00 0.00 C ATOM 151 O SER A 8 -1.920 7.803 6.025 1.00 0.00 O ATOM 152 CB SER A 8 -2.329 10.806 6.588 1.00 0.00 C ATOM 153 OG SER A 8 -2.676 12.146 6.258 1.00 0.00 O ATOM 0 H SER A 8 -2.836 9.056 4.186 1.00 0.00 H new ATOM 0 HA SER A 8 -0.693 10.785 5.238 1.00 0.00 H new ATOM 0 HB2 SER A 8 -3.234 10.235 6.795 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.731 10.797 7.500 1.00 0.00 H new ATOM 0 HG SER A 8 -3.176 12.547 7.000 1.00 0.00 H new ATOM 159 N ILE A 9 0.213 8.565 6.138 1.00 0.00 N ATOM 160 CA ILE A 9 0.787 7.265 6.554 1.00 0.00 C ATOM 161 C ILE A 9 0.541 7.129 8.092 1.00 0.00 C ATOM 162 O ILE A 9 0.882 7.977 8.923 1.00 0.00 O ATOM 163 CB ILE A 9 2.280 7.192 6.085 1.00 0.00 C ATOM 164 CG1 ILE A 9 2.421 7.060 4.534 1.00 0.00 C ATOM 165 CG2 ILE A 9 3.125 6.123 6.813 1.00 0.00 C ATOM 166 CD1 ILE A 9 1.963 5.757 3.852 1.00 0.00 C ATOM 0 H ILE A 9 0.894 9.322 6.077 1.00 0.00 H new ATOM 0 HA ILE A 9 0.314 6.402 6.086 1.00 0.00 H new ATOM 0 HB ILE A 9 2.697 8.156 6.378 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.865 7.881 4.082 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.471 7.211 4.285 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.144 6.141 6.428 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.138 6.335 7.882 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.690 5.138 6.644 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.130 5.831 2.777 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.533 4.918 4.251 1.00 0.00 H new ATOM 0 HD13 ILE A 9 0.902 5.599 4.045 1.00 0.00 H new ATOM 178 N GLU A 10 -0.120 6.009 8.379 1.00 0.00 N ATOM 179 CA GLU A 10 -0.542 5.561 9.709 1.00 0.00 C ATOM 180 C GLU A 10 -0.058 4.086 9.674 1.00 0.00 C ATOM 181 O GLU A 10 -0.294 3.333 8.721 1.00 0.00 O ATOM 182 CB GLU A 10 -2.079 5.754 9.840 1.00 0.00 C ATOM 183 CG GLU A 10 -2.720 5.348 11.186 1.00 0.00 C ATOM 184 CD GLU A 10 -3.003 3.847 11.330 1.00 0.00 C ATOM 185 OE1 GLU A 10 -3.734 3.220 10.564 1.00 0.00 O ATOM 186 OE2 GLU A 10 -2.350 3.294 12.402 1.00 0.00 O ATOM 0 H GLU A 10 -0.392 5.351 7.649 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.144 6.093 10.574 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.306 6.805 9.659 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.562 5.182 9.048 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.061 5.660 11.996 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.655 5.894 11.308 1.00 0.00 H new ATOM 194 N THR A 11 0.574 3.682 10.776 1.00 0.00 N ATOM 195 CA THR A 11 1.262 2.357 10.912 1.00 0.00 C ATOM 196 C THR A 11 0.487 1.094 10.414 1.00 0.00 C ATOM 197 O THR A 11 1.122 0.269 9.759 1.00 0.00 O ATOM 198 CB THR A 11 1.786 2.190 12.375 1.00 0.00 C ATOM 199 OG1 THR A 11 2.555 3.325 12.767 1.00 0.00 O ATOM 200 CG2 THR A 11 2.680 0.958 12.615 1.00 0.00 C ATOM 0 H THR A 11 0.635 4.255 11.617 1.00 0.00 H new ATOM 0 HA THR A 11 2.092 2.398 10.206 1.00 0.00 H new ATOM 0 HB THR A 11 0.875 2.070 12.962 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.873 3.203 13.686 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.991 0.932 13.659 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.121 0.052 12.380 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.561 1.017 11.975 1.00 0.00 H new ATOM 208 N ASN A 12 -0.828 0.970 10.669 1.00 0.00 N ATOM 209 CA ASN A 12 -1.670 -0.145 10.143 1.00 0.00 C ATOM 210 C ASN A 12 -1.955 -0.063 8.599 1.00 0.00 C ATOM 211 O ASN A 12 -2.053 -1.149 8.021 1.00 0.00 O ATOM 212 CB ASN A 12 -2.964 -0.247 10.995 1.00 0.00 C ATOM 213 CG ASN A 12 -3.765 -1.551 10.805 1.00 0.00 C ATOM 214 OD1 ASN A 12 -3.362 -2.620 11.263 1.00 0.00 O ATOM 215 ND2 ASN A 12 -4.902 -1.493 10.128 1.00 0.00 N ATOM 0 H ASN A 12 -1.346 1.634 11.244 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.102 -1.070 10.245 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -2.697 -0.152 12.048 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -3.609 0.597 10.752 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -5.452 -2.339 9.982 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -5.227 -0.602 9.753 1.00 0.00 H new ATOM 222 N ILE A 13 -2.111 1.108 7.907 1.00 0.00 N ATOM 223 CA ILE A 13 -2.131 1.120 6.408 1.00 0.00 C ATOM 224 C ILE A 13 -0.697 0.886 5.821 1.00 0.00 C ATOM 225 O ILE A 13 -0.590 0.133 4.865 1.00 0.00 O ATOM 226 CB ILE A 13 -2.943 2.215 5.627 1.00 0.00 C ATOM 227 CG1 ILE A 13 -3.366 1.776 4.196 1.00 0.00 C ATOM 228 CG2 ILE A 13 -2.212 3.566 5.500 1.00 0.00 C ATOM 229 CD1 ILE A 13 -3.567 0.297 3.823 1.00 0.00 C ATOM 0 H ILE A 13 -2.221 2.024 8.343 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.781 0.268 6.206 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.829 2.341 6.249 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.304 2.286 3.975 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.617 2.174 3.511 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.838 4.268 4.949 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.009 3.965 6.494 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.272 3.422 4.967 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.860 0.222 2.776 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.636 -0.247 3.979 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.348 -0.133 4.450 1.00 0.00 H new ATOM 241 N ARG A 14 0.399 1.472 6.345 1.00 0.00 N ATOM 242 CA ARG A 14 1.793 1.171 5.878 1.00 0.00 C ATOM 243 C ARG A 14 2.163 -0.342 5.872 1.00 0.00 C ATOM 244 O ARG A 14 2.780 -0.796 4.920 1.00 0.00 O ATOM 245 CB ARG A 14 2.761 1.911 6.847 1.00 0.00 C ATOM 246 CG ARG A 14 4.244 2.057 6.430 1.00 0.00 C ATOM 247 CD ARG A 14 4.495 3.060 5.292 1.00 0.00 C ATOM 248 NE ARG A 14 5.945 3.286 5.064 1.00 0.00 N ATOM 249 CZ ARG A 14 6.459 4.343 4.399 1.00 0.00 C ATOM 250 NH1 ARG A 14 5.723 5.294 3.827 1.00 0.00 N ATOM 251 NH2 ARG A 14 7.770 4.447 4.310 1.00 0.00 N ATOM 0 H ARG A 14 0.358 2.161 7.096 1.00 0.00 H new ATOM 0 HA ARG A 14 1.871 1.500 4.842 1.00 0.00 H new ATOM 0 HB2 ARG A 14 2.363 2.912 7.016 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.734 1.392 7.805 1.00 0.00 H new ATOM 0 HG2 ARG A 14 4.824 2.363 7.301 1.00 0.00 H new ATOM 0 HG3 ARG A 14 4.619 1.080 6.125 1.00 0.00 H new ATOM 0 HD2 ARG A 14 4.036 2.691 4.375 1.00 0.00 H new ATOM 0 HD3 ARG A 14 4.013 4.008 5.530 1.00 0.00 H new ATOM 0 HE ARG A 14 6.597 2.595 5.435 1.00 0.00 H new ATOM 0 HH11 ARG A 14 4.705 5.250 3.876 1.00 0.00 H new ATOM 0 HH12 ARG A 14 6.177 6.066 3.339 1.00 0.00 H new ATOM 0 HH21 ARG A 14 8.368 3.740 4.737 1.00 0.00 H new ATOM 0 HH22 ARG A 14 8.187 5.235 3.814 1.00 0.00 H new ATOM 264 N VAL A 15 1.761 -1.069 6.923 1.00 0.00 N ATOM 265 CA VAL A 15 1.918 -2.551 7.062 1.00 0.00 C ATOM 266 C VAL A 15 0.955 -3.347 6.156 1.00 0.00 C ATOM 267 O VAL A 15 1.390 -4.278 5.490 1.00 0.00 O ATOM 268 CB VAL A 15 1.765 -3.048 8.542 1.00 0.00 C ATOM 269 CG1 VAL A 15 2.976 -2.692 9.389 1.00 0.00 C ATOM 270 CG2 VAL A 15 0.460 -2.719 9.230 1.00 0.00 C ATOM 0 H VAL A 15 1.303 -0.645 7.730 1.00 0.00 H new ATOM 0 HA VAL A 15 2.940 -2.746 6.736 1.00 0.00 H new ATOM 0 HB VAL A 15 1.722 -4.133 8.445 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.828 -3.055 10.406 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.866 -3.156 8.964 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.103 -1.610 9.405 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.474 -3.114 10.246 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.329 -1.637 9.263 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.366 -3.168 8.678 1.00 0.00 H new ATOM 280 N ALA A 16 -0.342 -3.008 6.162 1.00 0.00 N ATOM 281 CA ALA A 16 -1.334 -3.595 5.216 1.00 0.00 C ATOM 282 C ALA A 16 -1.024 -3.332 3.708 1.00 0.00 C ATOM 283 O ALA A 16 -1.405 -4.155 2.876 1.00 0.00 O ATOM 284 CB ALA A 16 -2.752 -3.132 5.588 1.00 0.00 C ATOM 0 H ALA A 16 -0.741 -2.329 6.810 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.261 -4.677 5.328 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.470 -3.565 4.892 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.987 -3.457 6.601 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.805 -2.045 5.535 1.00 0.00 H new ATOM 290 N LEU A 17 -0.351 -2.207 3.381 1.00 0.00 N ATOM 291 CA LEU A 17 0.224 -1.919 2.044 1.00 0.00 C ATOM 292 C LEU A 17 1.558 -2.698 1.817 1.00 0.00 C ATOM 293 O LEU A 17 1.751 -3.250 0.731 1.00 0.00 O ATOM 294 CB LEU A 17 0.334 -0.367 1.866 1.00 0.00 C ATOM 295 CG LEU A 17 -0.977 0.429 1.548 1.00 0.00 C ATOM 296 CD1 LEU A 17 -0.890 1.761 0.778 1.00 0.00 C ATOM 297 CD2 LEU A 17 -2.124 -0.381 0.914 1.00 0.00 C ATOM 0 H LEU A 17 -0.188 -1.456 4.052 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.435 -2.285 1.256 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.762 0.045 2.780 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.046 -0.172 1.064 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.195 0.678 2.587 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.891 2.172 0.648 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.278 2.467 1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.439 1.588 -0.199 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.978 0.273 0.739 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.790 -0.804 -0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.416 -1.187 1.588 1.00 0.00 H new ATOM 309 N GLU A 18 2.458 -2.771 2.820 1.00 0.00 N ATOM 310 CA GLU A 18 3.723 -3.557 2.760 1.00 0.00 C ATOM 311 C GLU A 18 3.543 -5.091 2.631 1.00 0.00 C ATOM 312 O GLU A 18 4.215 -5.735 1.826 1.00 0.00 O ATOM 313 CB GLU A 18 4.703 -3.021 3.855 1.00 0.00 C ATOM 314 CG GLU A 18 4.925 -3.808 5.150 1.00 0.00 C ATOM 315 CD GLU A 18 5.705 -3.036 6.226 1.00 0.00 C ATOM 316 OE1 GLU A 18 5.394 -1.912 6.622 1.00 0.00 O ATOM 317 OE2 GLU A 18 6.783 -3.744 6.693 1.00 0.00 O ATOM 0 H GLU A 18 2.332 -2.283 3.707 1.00 0.00 H new ATOM 0 HA GLU A 18 4.216 -3.383 1.803 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.677 -2.897 3.382 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.357 -2.027 4.138 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.956 -4.099 5.557 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.462 -4.728 4.917 1.00 0.00 H new ATOM 325 N LYS A 19 2.622 -5.663 3.406 1.00 0.00 N ATOM 326 CA LYS A 19 2.282 -7.106 3.382 1.00 0.00 C ATOM 327 C LYS A 19 1.382 -7.572 2.185 1.00 0.00 C ATOM 328 O LYS A 19 1.430 -8.740 1.790 1.00 0.00 O ATOM 329 CB LYS A 19 1.754 -7.329 4.828 1.00 0.00 C ATOM 330 CG LYS A 19 1.568 -8.743 5.389 1.00 0.00 C ATOM 331 CD LYS A 19 1.316 -8.658 6.921 1.00 0.00 C ATOM 332 CE LYS A 19 0.923 -9.989 7.590 1.00 0.00 C ATOM 333 NZ LYS A 19 -0.440 -10.432 7.239 1.00 0.00 N ATOM 0 H LYS A 19 2.074 -5.135 4.086 1.00 0.00 H new ATOM 0 HA LYS A 19 3.123 -7.761 3.157 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.433 -6.805 5.501 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.788 -6.828 4.896 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.728 -9.234 4.897 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.453 -9.346 5.187 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.218 -8.279 7.402 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.527 -7.929 7.104 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.636 -10.760 7.298 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.996 -9.881 8.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.647 -11.331 7.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.127 -9.712 7.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.508 -10.565 6.210 1.00 0.00 H new ATOM 346 N SER A 20 0.628 -6.630 1.587 1.00 0.00 N ATOM 347 CA SER A 20 -0.007 -6.736 0.239 1.00 0.00 C ATOM 348 C SER A 20 0.979 -7.138 -0.909 1.00 0.00 C ATOM 349 O SER A 20 0.640 -7.936 -1.787 1.00 0.00 O ATOM 350 CB SER A 20 -0.585 -5.323 -0.012 1.00 0.00 C ATOM 351 OG SER A 20 -1.975 -5.370 -0.294 1.00 0.00 O ATOM 0 H SER A 20 0.431 -5.737 2.038 1.00 0.00 H new ATOM 0 HA SER A 20 -0.752 -7.532 0.231 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.412 -4.698 0.864 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.060 -4.857 -0.846 1.00 0.00 H new ATOM 0 HG SER A 20 -2.372 -4.489 -0.132 1.00 0.00 H new ATOM 357 N PHE A 21 2.193 -6.563 -0.856 1.00 0.00 N ATOM 358 CA PHE A 21 3.319 -6.862 -1.759 1.00 0.00 C ATOM 359 C PHE A 21 3.895 -8.301 -1.549 1.00 0.00 C ATOM 360 O PHE A 21 4.065 -9.058 -2.503 1.00 0.00 O ATOM 361 CB PHE A 21 4.360 -5.742 -1.485 1.00 0.00 C ATOM 362 CG PHE A 21 5.480 -5.708 -2.538 1.00 0.00 C ATOM 363 CD1 PHE A 21 6.564 -6.583 -2.426 1.00 0.00 C ATOM 364 CD2 PHE A 21 5.450 -4.779 -3.582 1.00 0.00 C ATOM 365 CE1 PHE A 21 7.638 -6.481 -3.290 1.00 0.00 C ATOM 366 CE2 PHE A 21 6.530 -4.685 -4.458 1.00 0.00 C ATOM 367 CZ PHE A 21 7.633 -5.524 -4.294 1.00 0.00 C ATOM 0 H PHE A 21 2.425 -5.854 -0.161 1.00 0.00 H new ATOM 0 HA PHE A 21 3.008 -6.866 -2.804 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.854 -4.777 -1.466 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.798 -5.891 -0.498 1.00 0.00 H new ATOM 0 HD1 PHE A 21 6.562 -7.344 -1.659 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.592 -4.136 -3.710 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.482 -7.147 -3.183 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.513 -3.964 -5.262 1.00 0.00 H new ATOM 0 HZ PHE A 21 8.485 -5.428 -4.951 1.00 0.00 H new ATOM 377 N LEU A 22 4.205 -8.649 -0.291 1.00 0.00 N ATOM 378 CA LEU A 22 4.680 -9.999 0.136 1.00 0.00 C ATOM 379 C LEU A 22 3.777 -11.227 -0.245 1.00 0.00 C ATOM 380 O LEU A 22 4.278 -12.353 -0.309 1.00 0.00 O ATOM 381 CB LEU A 22 5.014 -9.960 1.639 1.00 0.00 C ATOM 382 CG LEU A 22 6.045 -8.867 2.051 1.00 0.00 C ATOM 383 CD1 LEU A 22 6.207 -8.875 3.556 1.00 0.00 C ATOM 384 CD2 LEU A 22 7.426 -8.983 1.377 1.00 0.00 C ATOM 0 H LEU A 22 4.135 -7.992 0.486 1.00 0.00 H new ATOM 0 HA LEU A 22 5.574 -10.194 -0.456 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.092 -9.799 2.198 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.401 -10.935 1.936 1.00 0.00 H new ATOM 0 HG LEU A 22 5.632 -7.922 1.698 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.928 -8.111 3.848 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.246 -8.666 4.026 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.564 -9.853 3.878 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.071 -8.178 1.729 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.874 -9.944 1.629 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.310 -8.909 0.296 1.00 0.00 H new ATOM 396 N GLU A 23 2.480 -10.993 -0.540 1.00 0.00 N ATOM 397 CA GLU A 23 1.537 -12.007 -1.079 1.00 0.00 C ATOM 398 C GLU A 23 1.731 -12.064 -2.630 1.00 0.00 C ATOM 399 O GLU A 23 2.120 -13.109 -3.158 1.00 0.00 O ATOM 400 CB GLU A 23 0.100 -11.615 -0.615 1.00 0.00 C ATOM 401 CG GLU A 23 -0.993 -12.695 -0.781 1.00 0.00 C ATOM 402 CD GLU A 23 -1.575 -12.804 -2.196 1.00 0.00 C ATOM 403 OE1 GLU A 23 -2.436 -12.040 -2.631 1.00 0.00 O ATOM 404 OE2 GLU A 23 -1.027 -13.840 -2.908 1.00 0.00 O ATOM 0 H GLU A 23 2.047 -10.079 -0.409 1.00 0.00 H new ATOM 0 HA GLU A 23 1.719 -13.015 -0.707 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.145 -11.333 0.437 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.208 -10.729 -1.169 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.576 -13.662 -0.499 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.804 -12.482 -0.084 1.00 0.00 H new ATOM 412 N ASN A 24 1.479 -10.939 -3.326 1.00 0.00 N ATOM 413 CA ASN A 24 1.747 -10.770 -4.781 1.00 0.00 C ATOM 414 C ASN A 24 2.404 -9.377 -4.971 1.00 0.00 C ATOM 415 O ASN A 24 1.873 -8.340 -4.560 1.00 0.00 O ATOM 416 CB ASN A 24 0.558 -11.027 -5.737 1.00 0.00 C ATOM 417 CG ASN A 24 -0.872 -10.663 -5.319 1.00 0.00 C ATOM 418 OD1 ASN A 24 -1.136 -9.763 -4.520 1.00 0.00 O ATOM 419 ND2 ASN A 24 -1.821 -11.331 -5.941 1.00 0.00 N ATOM 0 H ASN A 24 1.078 -10.106 -2.894 1.00 0.00 H new ATOM 0 HA ASN A 24 2.424 -11.567 -5.086 1.00 0.00 H new ATOM 0 HB2 ASN A 24 0.768 -10.491 -6.663 1.00 0.00 H new ATOM 0 HB3 ASN A 24 0.562 -12.090 -5.976 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.801 -11.108 -5.766 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.576 -12.072 -6.598 1.00 0.00 H new ATOM 426 N GLN A 25 3.590 -9.408 -5.598 1.00 0.00 N ATOM 427 CA GLN A 25 4.490 -8.220 -5.752 1.00 0.00 C ATOM 428 C GLN A 25 4.023 -7.157 -6.788 1.00 0.00 C ATOM 429 O GLN A 25 3.965 -5.971 -6.447 1.00 0.00 O ATOM 430 CB GLN A 25 5.957 -8.651 -6.019 1.00 0.00 C ATOM 431 CG GLN A 25 6.613 -9.563 -4.954 1.00 0.00 C ATOM 432 CD GLN A 25 8.083 -9.888 -5.267 1.00 0.00 C ATOM 433 OE1 GLN A 25 8.985 -9.092 -5.008 1.00 0.00 O ATOM 434 NE2 GLN A 25 8.359 -11.056 -5.828 1.00 0.00 N ATOM 0 H GLN A 25 3.968 -10.256 -6.020 1.00 0.00 H new ATOM 0 HA GLN A 25 4.432 -7.712 -4.789 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.992 -9.167 -6.978 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.564 -7.751 -6.119 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.553 -9.077 -3.980 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.048 -10.492 -4.881 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.606 -11.711 -6.040 1.00 0.00 H new ATOM 0 HE22 GLN A 25 9.324 -11.301 -6.048 1.00 0.00 H new ATOM 443 N LYS A 26 3.690 -7.578 -8.024 1.00 0.00 N ATOM 444 CA LYS A 26 3.110 -6.691 -9.069 1.00 0.00 C ATOM 445 C LYS A 26 1.672 -7.211 -9.389 1.00 0.00 C ATOM 446 O LYS A 26 1.486 -7.831 -10.442 1.00 0.00 O ATOM 447 CB LYS A 26 4.109 -6.625 -10.260 1.00 0.00 C ATOM 448 CG LYS A 26 3.734 -5.617 -11.366 1.00 0.00 C ATOM 449 CD LYS A 26 4.800 -5.508 -12.473 1.00 0.00 C ATOM 450 CE LYS A 26 4.425 -4.472 -13.548 1.00 0.00 C ATOM 451 NZ LYS A 26 5.463 -4.377 -14.590 1.00 0.00 N ATOM 0 H LYS A 26 3.813 -8.542 -8.333 1.00 0.00 H new ATOM 0 HA LYS A 26 2.980 -5.655 -8.756 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.096 -6.369 -9.874 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.188 -7.617 -10.704 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.785 -5.913 -11.812 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.583 -4.635 -10.918 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.756 -5.235 -12.027 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.934 -6.483 -12.942 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.474 -4.747 -14.004 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.285 -3.497 -13.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.180 -3.671 -15.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.364 -4.091 -14.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.578 -5.302 -15.050 1.00 0.00 H new ATOM 464 N PRO A 27 0.629 -6.988 -8.530 1.00 0.00 N ATOM 465 CA PRO A 27 -0.786 -7.381 -8.856 1.00 0.00 C ATOM 466 C PRO A 27 -1.658 -6.191 -9.417 1.00 0.00 C ATOM 467 O PRO A 27 -2.877 -6.144 -9.261 1.00 0.00 O ATOM 468 CB PRO A 27 -1.180 -7.645 -7.384 1.00 0.00 C ATOM 469 CG PRO A 27 -0.629 -6.429 -6.602 1.00 0.00 C ATOM 470 CD PRO A 27 0.753 -6.294 -7.212 1.00 0.00 C ATOM 0 HA PRO A 27 -0.909 -8.161 -9.607 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -2.261 -7.729 -7.273 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.748 -8.578 -7.020 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -1.234 -5.535 -6.750 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.590 -6.613 -5.528 1.00 0.00 H new ATOM 0 HD2 PRO A 27 1.036 -5.249 -7.335 1.00 0.00 H new ATOM 0 HD3 PRO A 27 1.514 -6.758 -6.585 1.00 0.00 H new ATOM 478 N THR A 28 -0.996 -5.265 -10.112 1.00 0.00 N ATOM 479 CA THR A 28 -1.248 -3.823 -10.008 1.00 0.00 C ATOM 480 C THR A 28 -2.672 -3.281 -10.180 1.00 0.00 C ATOM 481 O THR A 28 -3.426 -3.354 -9.207 1.00 0.00 O ATOM 482 CB THR A 28 -0.052 -3.089 -10.726 1.00 0.00 C ATOM 483 OG1 THR A 28 1.211 -3.659 -10.373 1.00 0.00 O ATOM 484 CG2 THR A 28 0.108 -1.591 -10.435 1.00 0.00 C ATOM 0 H THR A 28 -0.257 -5.498 -10.775 1.00 0.00 H new ATOM 0 HA THR A 28 -1.251 -3.553 -8.952 1.00 0.00 H new ATOM 0 HB THR A 28 -0.321 -3.221 -11.774 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.928 -3.179 -10.838 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.964 -1.203 -10.987 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.793 -1.062 -10.744 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.267 -1.443 -9.367 1.00 0.00 H new ATOM 492 N SER A 29 -3.043 -2.737 -11.342 1.00 0.00 N ATOM 493 CA SER A 29 -4.343 -2.031 -11.512 1.00 0.00 C ATOM 494 C SER A 29 -5.644 -2.647 -10.912 1.00 0.00 C ATOM 495 O SER A 29 -6.508 -1.899 -10.441 1.00 0.00 O ATOM 496 CB SER A 29 -4.549 -1.779 -13.021 1.00 0.00 C ATOM 497 OG SER A 29 -3.744 -0.699 -13.479 1.00 0.00 O ATOM 0 H SER A 29 -2.471 -2.765 -12.186 1.00 0.00 H new ATOM 0 HA SER A 29 -4.223 -1.134 -10.904 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.302 -2.682 -13.580 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.599 -1.561 -13.215 1.00 0.00 H new ATOM 0 HG SER A 29 -3.894 -0.563 -14.438 1.00 0.00 H new ATOM 503 N GLU A 30 -5.762 -3.984 -10.934 1.00 0.00 N ATOM 504 CA GLU A 30 -6.933 -4.691 -10.316 1.00 0.00 C ATOM 505 C GLU A 30 -6.864 -4.788 -8.760 1.00 0.00 C ATOM 506 O GLU A 30 -7.869 -4.544 -8.085 1.00 0.00 O ATOM 507 CB GLU A 30 -7.152 -6.087 -10.969 1.00 0.00 C ATOM 508 CG GLU A 30 -7.748 -6.108 -12.396 1.00 0.00 C ATOM 509 CD GLU A 30 -6.792 -5.681 -13.517 1.00 0.00 C ATOM 510 OE1 GLU A 30 -5.913 -6.413 -13.973 1.00 0.00 O ATOM 511 OE2 GLU A 30 -7.026 -4.398 -13.940 1.00 0.00 O ATOM 0 H GLU A 30 -5.077 -4.606 -11.364 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.803 -4.070 -10.527 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.192 -6.603 -10.995 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.808 -6.666 -10.319 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.102 -7.117 -12.608 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.620 -5.454 -12.417 1.00 0.00 H new ATOM 519 N GLU A 31 -5.696 -5.146 -8.202 1.00 0.00 N ATOM 520 CA GLU A 31 -5.468 -5.237 -6.737 1.00 0.00 C ATOM 521 C GLU A 31 -5.456 -3.884 -5.971 1.00 0.00 C ATOM 522 O GLU A 31 -5.965 -3.862 -4.854 1.00 0.00 O ATOM 523 CB GLU A 31 -4.141 -5.994 -6.526 1.00 0.00 C ATOM 524 CG GLU A 31 -3.995 -6.703 -5.159 1.00 0.00 C ATOM 525 CD GLU A 31 -4.833 -7.978 -5.015 1.00 0.00 C ATOM 526 OE1 GLU A 31 -5.929 -8.007 -4.456 1.00 0.00 O ATOM 527 OE2 GLU A 31 -4.222 -9.068 -5.580 1.00 0.00 O ATOM 0 H GLU A 31 -4.872 -5.384 -8.754 1.00 0.00 H new ATOM 0 HA GLU A 31 -6.322 -5.763 -6.311 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.037 -6.738 -7.316 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.317 -5.289 -6.641 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.946 -6.953 -5.003 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.277 -6.006 -4.370 1.00 0.00 H new ATOM 535 N ILE A 32 -4.936 -2.771 -6.541 1.00 0.00 N ATOM 536 CA ILE A 32 -4.998 -1.397 -5.927 1.00 0.00 C ATOM 537 C ILE A 32 -6.450 -1.015 -5.467 1.00 0.00 C ATOM 538 O ILE A 32 -6.650 -0.564 -4.336 1.00 0.00 O ATOM 539 CB ILE A 32 -4.310 -0.404 -6.944 1.00 0.00 C ATOM 540 CG1 ILE A 32 -2.768 -0.352 -6.743 1.00 0.00 C ATOM 541 CG2 ILE A 32 -4.812 1.058 -6.997 1.00 0.00 C ATOM 542 CD1 ILE A 32 -1.967 -1.240 -7.676 1.00 0.00 C ATOM 0 H ILE A 32 -4.458 -2.787 -7.442 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.445 -1.347 -4.989 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.606 -0.853 -7.892 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.435 0.678 -6.872 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.542 -0.634 -5.715 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.241 1.612 -7.742 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.868 1.070 -7.266 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.681 1.523 -6.020 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.905 -1.133 -7.457 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.264 -2.279 -7.534 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.156 -0.947 -8.709 1.00 0.00 H new ATOM 554 N THR A 33 -7.433 -1.274 -6.343 1.00 0.00 N ATOM 555 CA THR A 33 -8.887 -1.196 -6.034 1.00 0.00 C ATOM 556 C THR A 33 -9.344 -2.067 -4.821 1.00 0.00 C ATOM 557 O THR A 33 -9.920 -1.527 -3.871 1.00 0.00 O ATOM 558 CB THR A 33 -9.647 -1.501 -7.378 1.00 0.00 C ATOM 559 OG1 THR A 33 -9.499 -0.404 -8.272 1.00 0.00 O ATOM 560 CG2 THR A 33 -11.155 -1.797 -7.248 1.00 0.00 C ATOM 0 H THR A 33 -7.246 -1.550 -7.307 1.00 0.00 H new ATOM 0 HA THR A 33 -9.137 -0.196 -5.680 1.00 0.00 H new ATOM 0 HB THR A 33 -9.184 -2.417 -7.745 1.00 0.00 H new ATOM 0 HG1 THR A 33 -9.972 -0.598 -9.108 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.574 -1.992 -8.235 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.301 -2.671 -6.613 1.00 0.00 H new ATOM 0 HG23 THR A 33 -11.658 -0.938 -6.804 1.00 0.00 H new ATOM 568 N MET A 34 -9.101 -3.386 -4.862 1.00 0.00 N ATOM 569 CA MET A 34 -9.455 -4.330 -3.770 1.00 0.00 C ATOM 570 C MET A 34 -8.807 -4.041 -2.372 1.00 0.00 C ATOM 571 O MET A 34 -9.473 -4.187 -1.344 1.00 0.00 O ATOM 572 CB MET A 34 -9.105 -5.741 -4.311 1.00 0.00 C ATOM 573 CG MET A 34 -10.020 -6.303 -5.419 1.00 0.00 C ATOM 574 SD MET A 34 -11.744 -6.379 -4.875 1.00 0.00 S ATOM 575 CE MET A 34 -11.759 -7.877 -3.867 1.00 0.00 C ATOM 0 H MET A 34 -8.650 -3.839 -5.657 1.00 0.00 H new ATOM 0 HA MET A 34 -10.515 -4.221 -3.538 1.00 0.00 H new ATOM 0 HB2 MET A 34 -8.084 -5.716 -4.692 1.00 0.00 H new ATOM 0 HB3 MET A 34 -9.116 -6.439 -3.474 1.00 0.00 H new ATOM 0 HG2 MET A 34 -9.945 -5.677 -6.308 1.00 0.00 H new ATOM 0 HG3 MET A 34 -9.682 -7.300 -5.702 1.00 0.00 H new ATOM 0 HE1 MET A 34 -12.762 -8.039 -3.471 1.00 0.00 H new ATOM 0 HE2 MET A 34 -11.468 -8.730 -4.479 1.00 0.00 H new ATOM 0 HE3 MET A 34 -11.057 -7.767 -3.041 1.00 0.00 H new ATOM 585 N ILE A 35 -7.533 -3.609 -2.355 1.00 0.00 N ATOM 586 CA ILE A 35 -6.781 -3.176 -1.136 1.00 0.00 C ATOM 587 C ILE A 35 -7.389 -1.884 -0.517 1.00 0.00 C ATOM 588 O ILE A 35 -7.556 -1.833 0.705 1.00 0.00 O ATOM 589 CB ILE A 35 -5.258 -2.988 -1.482 1.00 0.00 C ATOM 590 CG1 ILE A 35 -4.607 -4.277 -2.038 1.00 0.00 C ATOM 591 CG2 ILE A 35 -4.385 -2.506 -0.296 1.00 0.00 C ATOM 592 CD1 ILE A 35 -3.303 -4.043 -2.812 1.00 0.00 C ATOM 0 H ILE A 35 -6.973 -3.545 -3.205 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.870 -3.958 -0.382 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.277 -2.208 -2.243 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.407 -4.956 -1.209 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.320 -4.777 -2.694 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.351 -2.403 -0.624 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.751 -1.542 0.057 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.438 -3.233 0.514 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.914 -4.998 -3.166 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.497 -3.392 -3.664 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.570 -3.573 -2.156 1.00 0.00 H new ATOM 604 N ALA A 36 -7.697 -0.858 -1.340 1.00 0.00 N ATOM 605 CA ALA A 36 -8.378 0.372 -0.834 1.00 0.00 C ATOM 606 C ALA A 36 -9.782 0.153 -0.198 1.00 0.00 C ATOM 607 O ALA A 36 -10.107 0.802 0.801 1.00 0.00 O ATOM 608 CB ALA A 36 -8.476 1.415 -1.944 1.00 0.00 C ATOM 0 H ALA A 36 -7.493 -0.847 -2.339 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.745 0.720 -0.018 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -8.974 2.306 -1.563 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.475 1.677 -2.286 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.049 1.007 -2.777 1.00 0.00 H new ATOM 614 N ASP A 37 -10.584 -0.768 -0.774 1.00 0.00 N ATOM 615 CA ASP A 37 -11.898 -1.183 -0.216 1.00 0.00 C ATOM 616 C ASP A 37 -11.811 -1.859 1.189 1.00 0.00 C ATOM 617 O ASP A 37 -12.669 -1.597 2.036 1.00 0.00 O ATOM 618 CB ASP A 37 -12.564 -2.145 -1.239 1.00 0.00 C ATOM 619 CG ASP A 37 -14.096 -2.151 -1.169 1.00 0.00 C ATOM 620 OD1 ASP A 37 -14.805 -1.392 -1.828 1.00 0.00 O ATOM 621 OD2 ASP A 37 -14.574 -3.093 -0.294 1.00 0.00 O ATOM 0 H ASP A 37 -10.342 -1.248 -1.641 1.00 0.00 H new ATOM 0 HA ASP A 37 -12.493 -0.283 -0.060 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -12.256 -1.862 -2.245 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -12.197 -3.157 -1.066 1.00 0.00 H new ATOM 627 N GLN A 38 -10.775 -2.699 1.416 1.00 0.00 N ATOM 628 CA GLN A 38 -10.500 -3.348 2.731 1.00 0.00 C ATOM 629 C GLN A 38 -10.411 -2.341 3.930 1.00 0.00 C ATOM 630 O GLN A 38 -11.060 -2.594 4.949 1.00 0.00 O ATOM 631 CB GLN A 38 -9.238 -4.249 2.585 1.00 0.00 C ATOM 632 CG GLN A 38 -8.932 -5.198 3.770 1.00 0.00 C ATOM 633 CD GLN A 38 -9.984 -6.294 4.022 1.00 0.00 C ATOM 634 OE1 GLN A 38 -10.935 -6.102 4.779 1.00 0.00 O ATOM 635 NE2 GLN A 38 -9.839 -7.456 3.401 1.00 0.00 N ATOM 0 H GLN A 38 -10.100 -2.950 0.693 1.00 0.00 H new ATOM 0 HA GLN A 38 -11.354 -3.972 2.994 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -9.350 -4.852 1.684 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.373 -3.604 2.431 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -7.969 -5.676 3.592 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -8.829 -4.600 4.676 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -9.047 -7.605 2.776 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -10.519 -8.201 3.549 1.00 0.00 H new ATOM 644 N LEU A 39 -9.655 -1.224 3.803 1.00 0.00 N ATOM 645 CA LEU A 39 -9.635 -0.135 4.819 1.00 0.00 C ATOM 646 C LEU A 39 -10.458 1.063 4.230 1.00 0.00 C ATOM 647 O LEU A 39 -11.629 0.907 3.866 1.00 0.00 O ATOM 648 CB LEU A 39 -8.196 0.049 5.432 1.00 0.00 C ATOM 649 CG LEU A 39 -7.010 0.779 4.717 1.00 0.00 C ATOM 650 CD1 LEU A 39 -6.756 0.393 3.249 1.00 0.00 C ATOM 651 CD2 LEU A 39 -6.901 2.293 5.029 1.00 0.00 C ATOM 0 H LEU A 39 -9.046 -1.050 3.003 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.159 -0.344 5.752 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.337 0.564 6.382 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.837 -0.954 5.663 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.140 0.346 5.210 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.911 0.964 2.864 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.533 -0.672 3.186 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.644 0.613 2.656 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.052 2.715 4.491 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.816 2.796 4.715 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.758 2.434 6.100 1.00 0.00 H new ATOM 663 N ASN A 40 -9.853 2.249 4.176 1.00 0.00 N ATOM 664 CA ASN A 40 -10.418 3.495 3.595 1.00 0.00 C ATOM 665 C ASN A 40 -9.167 4.284 3.080 1.00 0.00 C ATOM 666 O ASN A 40 -8.785 5.315 3.643 1.00 0.00 O ATOM 667 CB ASN A 40 -11.270 4.211 4.690 1.00 0.00 C ATOM 668 CG ASN A 40 -11.981 5.503 4.299 1.00 0.00 C ATOM 669 OD1 ASN A 40 -11.451 6.400 3.646 1.00 0.00 O ATOM 670 ND2 ASN A 40 -13.154 5.679 4.867 1.00 0.00 N ATOM 0 H ASN A 40 -8.914 2.388 4.549 1.00 0.00 H new ATOM 0 HA ASN A 40 -11.108 3.360 2.763 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -12.023 3.507 5.043 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -10.617 4.429 5.535 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -13.639 6.571 4.769 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -13.579 4.924 5.405 1.00 0.00 H new ATOM 677 N MET A 41 -8.519 3.770 2.014 1.00 0.00 N ATOM 678 CA MET A 41 -7.245 4.341 1.484 1.00 0.00 C ATOM 679 C MET A 41 -7.507 5.221 0.217 1.00 0.00 C ATOM 680 O MET A 41 -8.486 5.006 -0.509 1.00 0.00 O ATOM 681 CB MET A 41 -6.332 3.184 0.970 1.00 0.00 C ATOM 682 CG MET A 41 -4.827 3.347 1.264 1.00 0.00 C ATOM 683 SD MET A 41 -4.165 4.992 1.014 1.00 0.00 S ATOM 684 CE MET A 41 -3.402 5.203 2.634 1.00 0.00 C ATOM 0 H MET A 41 -8.852 2.957 1.496 1.00 0.00 H new ATOM 0 HA MET A 41 -6.796 4.919 2.292 1.00 0.00 H new ATOM 0 HB2 MET A 41 -6.673 2.250 1.416 1.00 0.00 H new ATOM 0 HB3 MET A 41 -6.466 3.090 -0.108 1.00 0.00 H new ATOM 0 HG2 MET A 41 -4.643 3.054 2.298 1.00 0.00 H new ATOM 0 HG3 MET A 41 -4.274 2.652 0.632 1.00 0.00 H new ATOM 0 HE1 MET A 41 -3.018 6.219 2.726 1.00 0.00 H new ATOM 0 HE2 MET A 41 -4.144 5.023 3.412 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.581 4.494 2.745 1.00 0.00 H new ATOM 694 N GLU A 42 -6.583 6.150 -0.095 1.00 0.00 N ATOM 695 CA GLU A 42 -6.495 6.744 -1.458 1.00 0.00 C ATOM 696 C GLU A 42 -5.732 5.772 -2.401 1.00 0.00 C ATOM 697 O GLU A 42 -4.905 4.953 -1.995 1.00 0.00 O ATOM 698 CB GLU A 42 -5.945 8.181 -1.484 1.00 0.00 C ATOM 699 CG GLU A 42 -5.793 8.937 -2.830 1.00 0.00 C ATOM 700 CD GLU A 42 -7.044 9.161 -3.692 1.00 0.00 C ATOM 701 OE1 GLU A 42 -8.185 8.826 -3.376 1.00 0.00 O ATOM 702 OE2 GLU A 42 -6.730 9.784 -4.872 1.00 0.00 O ATOM 0 H GLU A 42 -5.891 6.507 0.564 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.512 6.860 -1.834 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.590 8.785 -0.846 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.962 8.159 -1.014 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.360 9.914 -2.614 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.067 8.394 -3.435 1.00 0.00 H new ATOM 710 N LYS A 43 -6.133 5.829 -3.668 1.00 0.00 N ATOM 711 CA LYS A 43 -5.499 5.039 -4.774 1.00 0.00 C ATOM 712 C LYS A 43 -4.306 5.564 -5.579 1.00 0.00 C ATOM 713 O LYS A 43 -3.485 4.794 -6.092 1.00 0.00 O ATOM 714 CB LYS A 43 -6.561 4.321 -5.578 1.00 0.00 C ATOM 715 CG LYS A 43 -6.965 3.001 -4.866 1.00 0.00 C ATOM 716 CD LYS A 43 -8.433 2.654 -5.172 1.00 0.00 C ATOM 717 CE LYS A 43 -8.829 2.510 -6.657 1.00 0.00 C ATOM 718 NZ LYS A 43 -10.277 2.270 -6.795 1.00 0.00 N ATOM 0 H LYS A 43 -6.905 6.418 -3.980 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.886 4.338 -4.208 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.435 4.962 -5.696 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.187 4.104 -6.579 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.316 2.189 -5.196 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.826 3.103 -3.790 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.671 1.718 -4.667 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.062 3.425 -4.728 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.553 3.414 -7.200 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.275 1.686 -7.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.434 1.374 -7.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.712 2.217 -5.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.709 3.050 -7.331 1.00 0.00 H new ATOM 731 N GLU A 44 -4.233 6.886 -5.647 1.00 0.00 N ATOM 732 CA GLU A 44 -2.977 7.610 -6.026 1.00 0.00 C ATOM 733 C GLU A 44 -1.809 7.136 -5.087 1.00 0.00 C ATOM 734 O GLU A 44 -0.768 6.693 -5.567 1.00 0.00 O ATOM 735 CB GLU A 44 -3.253 9.137 -5.940 1.00 0.00 C ATOM 736 CG GLU A 44 -2.189 10.071 -6.553 1.00 0.00 C ATOM 737 CD GLU A 44 -0.919 10.250 -5.711 1.00 0.00 C ATOM 738 OE1 GLU A 44 -0.894 10.864 -4.644 1.00 0.00 O ATOM 739 OE2 GLU A 44 0.171 9.644 -6.279 1.00 0.00 O ATOM 0 H GLU A 44 -5.021 7.502 -5.448 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.669 7.387 -7.048 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.205 9.338 -6.431 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.373 9.402 -4.890 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.906 9.682 -7.531 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.639 11.050 -6.717 1.00 0.00 H new ATOM 747 N VAL A 45 -2.104 7.133 -3.772 1.00 0.00 N ATOM 748 CA VAL A 45 -1.288 6.540 -2.686 1.00 0.00 C ATOM 749 C VAL A 45 -0.885 5.056 -2.918 1.00 0.00 C ATOM 750 O VAL A 45 0.314 4.797 -2.862 1.00 0.00 O ATOM 751 CB VAL A 45 -2.094 6.694 -1.356 1.00 0.00 C ATOM 752 CG1 VAL A 45 -1.530 5.964 -0.142 1.00 0.00 C ATOM 753 CG2 VAL A 45 -2.299 8.118 -0.879 1.00 0.00 C ATOM 0 H VAL A 45 -2.958 7.564 -3.418 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.339 7.076 -2.650 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.031 6.242 -1.681 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.171 6.143 0.721 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.489 4.894 -0.347 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.526 6.332 0.070 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.869 8.112 0.050 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.330 8.587 -0.707 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.845 8.680 -1.636 1.00 0.00 H new ATOM 763 N ILE A 46 -1.826 4.101 -3.128 1.00 0.00 N ATOM 764 CA ILE A 46 -1.450 2.653 -3.315 1.00 0.00 C ATOM 765 C ILE A 46 -0.418 2.412 -4.459 1.00 0.00 C ATOM 766 O ILE A 46 0.589 1.750 -4.239 1.00 0.00 O ATOM 767 CB ILE A 46 -2.536 1.521 -3.497 1.00 0.00 C ATOM 768 CG1 ILE A 46 -4.010 1.678 -3.113 1.00 0.00 C ATOM 769 CG2 ILE A 46 -2.009 0.231 -2.855 1.00 0.00 C ATOM 770 CD1 ILE A 46 -4.341 1.890 -1.655 1.00 0.00 C ATOM 0 H ILE A 46 -2.828 4.287 -3.173 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.066 2.529 -2.303 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.631 1.551 -4.582 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.414 2.521 -3.674 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.540 0.787 -3.450 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.748 -0.562 -2.972 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.080 -0.064 -3.342 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.825 0.401 -1.794 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.420 1.984 -1.537 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.985 1.039 -1.074 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.857 2.800 -1.301 1.00 0.00 H new ATOM 782 N ARG A 47 -0.725 2.938 -5.650 1.00 0.00 N ATOM 783 CA ARG A 47 0.134 2.850 -6.864 1.00 0.00 C ATOM 784 C ARG A 47 1.565 3.444 -6.638 1.00 0.00 C ATOM 785 O ARG A 47 2.545 2.806 -7.016 1.00 0.00 O ATOM 786 CB ARG A 47 -0.549 3.586 -8.055 1.00 0.00 C ATOM 787 CG ARG A 47 -1.837 2.923 -8.593 1.00 0.00 C ATOM 788 CD ARG A 47 -2.549 3.678 -9.732 1.00 0.00 C ATOM 789 NE ARG A 47 -3.199 4.926 -9.256 1.00 0.00 N ATOM 790 CZ ARG A 47 -4.120 5.626 -9.944 1.00 0.00 C ATOM 791 NH1 ARG A 47 -4.560 5.287 -11.154 1.00 0.00 N ATOM 792 NH2 ARG A 47 -4.618 6.714 -9.386 1.00 0.00 N ATOM 0 H ARG A 47 -1.592 3.450 -5.813 1.00 0.00 H new ATOM 0 HA ARG A 47 0.252 1.790 -7.090 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.787 4.603 -7.743 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.168 3.663 -8.872 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.589 1.922 -8.945 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -2.537 2.806 -7.766 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.827 3.921 -10.512 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.299 3.029 -10.183 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.927 5.279 -8.339 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.196 4.452 -11.613 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -5.261 5.862 -11.622 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.303 7.002 -8.460 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.318 7.267 -9.881 1.00 0.00 H new ATOM 805 N VAL A 48 1.657 4.640 -6.011 1.00 0.00 N ATOM 806 CA VAL A 48 2.929 5.313 -5.622 1.00 0.00 C ATOM 807 C VAL A 48 3.691 4.542 -4.491 1.00 0.00 C ATOM 808 O VAL A 48 4.886 4.288 -4.664 1.00 0.00 O ATOM 809 CB VAL A 48 2.617 6.840 -5.383 1.00 0.00 C ATOM 810 CG1 VAL A 48 3.175 7.484 -4.103 1.00 0.00 C ATOM 811 CG2 VAL A 48 2.988 7.685 -6.617 1.00 0.00 C ATOM 0 H VAL A 48 0.832 5.181 -5.753 1.00 0.00 H new ATOM 0 HA VAL A 48 3.668 5.281 -6.423 1.00 0.00 H new ATOM 0 HB VAL A 48 1.539 6.842 -5.222 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.885 8.534 -4.068 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.774 6.967 -3.231 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.262 7.408 -4.102 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.761 8.733 -6.422 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.052 7.577 -6.826 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.413 7.344 -7.478 1.00 0.00 H new ATOM 821 N TRP A 49 3.033 4.175 -3.361 1.00 0.00 N ATOM 822 CA TRP A 49 3.641 3.302 -2.310 1.00 0.00 C ATOM 823 C TRP A 49 4.170 1.941 -2.889 1.00 0.00 C ATOM 824 O TRP A 49 5.301 1.557 -2.586 1.00 0.00 O ATOM 825 CB TRP A 49 2.629 3.074 -1.142 1.00 0.00 C ATOM 826 CG TRP A 49 3.286 2.511 0.128 1.00 0.00 C ATOM 827 CD1 TRP A 49 4.038 3.256 1.059 1.00 0.00 C ATOM 828 CD2 TRP A 49 3.580 1.187 0.391 1.00 0.00 C ATOM 829 NE1 TRP A 49 4.820 2.421 1.877 1.00 0.00 N ATOM 830 CE2 TRP A 49 4.548 1.145 1.425 1.00 0.00 C ATOM 831 CE3 TRP A 49 3.222 0.006 -0.303 1.00 0.00 C ATOM 832 CZ2 TRP A 49 5.230 -0.062 1.706 1.00 0.00 C ATOM 833 CZ3 TRP A 49 3.953 -1.156 -0.057 1.00 0.00 C ATOM 834 CH2 TRP A 49 5.001 -1.155 0.872 1.00 0.00 C ATOM 0 H TRP A 49 2.079 4.468 -3.150 1.00 0.00 H new ATOM 0 HA TRP A 49 4.514 3.823 -1.916 1.00 0.00 H new ATOM 0 HB2 TRP A 49 2.142 4.019 -0.903 1.00 0.00 H new ATOM 0 HB3 TRP A 49 1.849 2.389 -1.474 1.00 0.00 H new ATOM 0 HD1 TRP A 49 4.016 4.333 1.135 1.00 0.00 H new ATOM 0 HE1 TRP A 49 5.447 2.696 2.633 1.00 0.00 H new ATOM 0 HE3 TRP A 49 2.402 0.005 -1.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 5.909 -0.135 2.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 3.709 -2.064 -0.588 1.00 0.00 H new ATOM 0 HH2 TRP A 49 5.645 -2.019 0.944 1.00 0.00 H new ATOM 845 N PHE A 50 3.352 1.240 -3.706 1.00 0.00 N ATOM 846 CA PHE A 50 3.740 0.005 -4.427 1.00 0.00 C ATOM 847 C PHE A 50 4.928 0.187 -5.436 1.00 0.00 C ATOM 848 O PHE A 50 5.752 -0.722 -5.543 1.00 0.00 O ATOM 849 CB PHE A 50 2.462 -0.604 -5.098 1.00 0.00 C ATOM 850 CG PHE A 50 1.532 -1.579 -4.316 1.00 0.00 C ATOM 851 CD1 PHE A 50 1.916 -2.208 -3.132 1.00 0.00 C ATOM 852 CD2 PHE A 50 0.335 -1.979 -4.915 1.00 0.00 C ATOM 853 CE1 PHE A 50 1.228 -3.314 -2.654 1.00 0.00 C ATOM 854 CE2 PHE A 50 -0.399 -3.050 -4.404 1.00 0.00 C ATOM 855 CZ PHE A 50 0.088 -3.768 -3.309 1.00 0.00 C ATOM 0 H PHE A 50 2.388 1.520 -3.886 1.00 0.00 H new ATOM 0 HA PHE A 50 4.141 -0.697 -3.695 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.844 0.232 -5.426 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.791 -1.128 -5.995 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.762 -1.828 -2.579 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.027 -1.452 -5.785 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.579 -3.825 -1.769 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.342 -3.323 -4.854 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.414 -4.664 -2.975 1.00 0.00 H new ATOM 865 N CYS A 51 5.021 1.338 -6.145 1.00 0.00 N ATOM 866 CA CYS A 51 6.185 1.706 -7.010 1.00 0.00 C ATOM 867 C CYS A 51 7.552 1.851 -6.270 1.00 0.00 C ATOM 868 O CYS A 51 8.590 1.454 -6.803 1.00 0.00 O ATOM 869 CB CYS A 51 5.885 3.051 -7.709 1.00 0.00 C ATOM 870 SG CYS A 51 6.885 3.204 -9.226 1.00 0.00 S ATOM 0 H CYS A 51 4.288 2.047 -6.137 1.00 0.00 H new ATOM 0 HA CYS A 51 6.297 0.874 -7.705 1.00 0.00 H new ATOM 0 HB2 CYS A 51 4.825 3.114 -7.955 1.00 0.00 H new ATOM 0 HB3 CYS A 51 6.105 3.878 -7.034 1.00 0.00 H new ATOM 0 HG CYS A 51 6.623 4.337 -9.806 1.00 0.00 H new ATOM 876 N ASN A 52 7.513 2.382 -5.033 1.00 0.00 N ATOM 877 CA ASN A 52 8.708 2.555 -4.159 1.00 0.00 C ATOM 878 C ASN A 52 9.103 1.201 -3.477 1.00 0.00 C ATOM 879 O ASN A 52 10.293 0.880 -3.447 1.00 0.00 O ATOM 880 CB ASN A 52 8.404 3.689 -3.139 1.00 0.00 C ATOM 881 CG ASN A 52 9.649 4.219 -2.399 1.00 0.00 C ATOM 882 OD1 ASN A 52 10.193 3.570 -1.506 1.00 0.00 O ATOM 883 ND2 ASN A 52 10.114 5.408 -2.752 1.00 0.00 N ATOM 0 H ASN A 52 6.648 2.708 -4.601 1.00 0.00 H new ATOM 0 HA ASN A 52 9.577 2.848 -4.748 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.926 4.517 -3.663 1.00 0.00 H new ATOM 0 HB3 ASN A 52 7.687 3.321 -2.405 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.932 5.796 -2.282 1.00 0.00 H new ATOM 0 HD22 ASN A 52 9.654 5.936 -3.494 1.00 0.00 H new ATOM 890 N ARG A 53 8.138 0.395 -2.977 1.00 0.00 N ATOM 891 CA ARG A 53 8.383 -1.003 -2.523 1.00 0.00 C ATOM 892 C ARG A 53 8.977 -1.993 -3.588 1.00 0.00 C ATOM 893 O ARG A 53 9.669 -2.949 -3.240 1.00 0.00 O ATOM 894 CB ARG A 53 7.014 -1.519 -1.993 1.00 0.00 C ATOM 895 CG ARG A 53 7.039 -2.847 -1.208 1.00 0.00 C ATOM 896 CD ARG A 53 8.022 -2.834 -0.026 1.00 0.00 C ATOM 897 NE ARG A 53 7.662 -3.470 1.268 1.00 0.00 N ATOM 898 CZ ARG A 53 7.340 -4.759 1.462 1.00 0.00 C ATOM 899 NH1 ARG A 53 7.252 -5.650 0.496 1.00 0.00 N ATOM 900 NH2 ARG A 53 7.069 -5.164 2.684 1.00 0.00 N ATOM 0 H ARG A 53 7.167 0.691 -2.875 1.00 0.00 H new ATOM 0 HA ARG A 53 9.167 -0.975 -1.767 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.585 -0.750 -1.350 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.341 -1.637 -2.842 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.037 -3.061 -0.836 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.307 -3.657 -1.886 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.943 -3.305 -0.370 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.257 -1.791 0.184 1.00 0.00 H new ATOM 0 HE ARG A 53 7.659 -2.867 2.091 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.434 -5.375 -0.469 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.002 -6.615 0.713 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.106 -4.503 3.460 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.822 -6.139 2.855 1.00 0.00 H new ATOM 913 N ARG A 54 8.681 -1.737 -4.868 1.00 0.00 N ATOM 914 CA ARG A 54 9.176 -2.500 -6.050 1.00 0.00 C ATOM 915 C ARG A 54 10.728 -2.650 -6.139 1.00 0.00 C ATOM 916 O ARG A 54 11.196 -3.768 -6.368 1.00 0.00 O ATOM 917 CB ARG A 54 8.561 -1.881 -7.338 1.00 0.00 C ATOM 918 CG ARG A 54 8.411 -2.822 -8.558 1.00 0.00 C ATOM 919 CD ARG A 54 7.406 -3.997 -8.434 1.00 0.00 C ATOM 920 NE ARG A 54 6.034 -3.661 -7.963 1.00 0.00 N ATOM 921 CZ ARG A 54 5.094 -3.008 -8.673 1.00 0.00 C ATOM 922 NH1 ARG A 54 5.280 -2.551 -9.909 1.00 0.00 N ATOM 923 NH2 ARG A 54 3.919 -2.806 -8.108 1.00 0.00 N ATOM 0 H ARG A 54 8.068 -0.966 -5.133 1.00 0.00 H new ATOM 0 HA ARG A 54 8.839 -3.530 -5.933 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.576 -1.487 -7.089 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.178 -1.033 -7.636 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.118 -2.217 -9.416 1.00 0.00 H new ATOM 0 HG3 ARG A 54 9.392 -3.240 -8.783 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.322 -4.477 -9.409 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.828 -4.734 -7.751 1.00 0.00 H new ATOM 0 HE ARG A 54 5.784 -3.951 -7.018 1.00 0.00 H new ATOM 0 HH11 ARG A 54 6.178 -2.688 -10.374 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.525 -2.064 -10.392 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.744 -3.141 -7.161 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.185 -2.315 -8.619 1.00 0.00 H new ATOM 936 N GLN A 55 11.506 -1.558 -5.945 1.00 0.00 N ATOM 937 CA GLN A 55 12.998 -1.624 -5.878 1.00 0.00 C ATOM 938 C GLN A 55 13.605 -1.898 -4.453 1.00 0.00 C ATOM 939 O GLN A 55 14.824 -2.069 -4.356 1.00 0.00 O ATOM 940 CB GLN A 55 13.647 -0.407 -6.605 1.00 0.00 C ATOM 941 CG GLN A 55 13.772 0.956 -5.874 1.00 0.00 C ATOM 942 CD GLN A 55 12.485 1.774 -5.666 1.00 0.00 C ATOM 943 OE1 GLN A 55 11.468 1.596 -6.336 1.00 0.00 O ATOM 944 NE2 GLN A 55 12.522 2.724 -4.745 1.00 0.00 N ATOM 0 H GLN A 55 11.130 -0.617 -5.831 1.00 0.00 H new ATOM 0 HA GLN A 55 13.270 -2.526 -6.426 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.651 -0.707 -6.906 1.00 0.00 H new ATOM 0 HB3 GLN A 55 13.078 -0.234 -7.519 1.00 0.00 H new ATOM 0 HG2 GLN A 55 14.215 0.773 -4.895 1.00 0.00 H new ATOM 0 HG3 GLN A 55 14.476 1.573 -6.432 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.368 2.867 -4.193 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.705 3.314 -4.587 1.00 0.00 H new ATOM 953 N LYS A 56 12.798 -1.931 -3.366 1.00 0.00 N ATOM 954 CA LYS A 56 13.255 -2.290 -2.001 1.00 0.00 C ATOM 955 C LYS A 56 12.078 -3.023 -1.333 1.00 0.00 C ATOM 956 O LYS A 56 11.210 -2.498 -0.632 1.00 0.00 O ATOM 957 CB LYS A 56 13.825 -1.164 -1.148 1.00 0.00 C ATOM 958 CG LYS A 56 13.042 0.171 -1.077 1.00 0.00 C ATOM 959 CD LYS A 56 13.853 1.398 -1.521 1.00 0.00 C ATOM 960 CE LYS A 56 14.941 1.829 -0.518 1.00 0.00 C ATOM 961 NZ LYS A 56 15.651 3.033 -0.984 1.00 0.00 N ATOM 0 H LYS A 56 11.804 -1.708 -3.412 1.00 0.00 H new ATOM 0 HA LYS A 56 14.135 -2.926 -2.094 1.00 0.00 H new ATOM 0 HB2 LYS A 56 13.934 -1.540 -0.131 1.00 0.00 H new ATOM 0 HB3 LYS A 56 14.827 -0.943 -1.516 1.00 0.00 H new ATOM 0 HG2 LYS A 56 12.152 0.092 -1.701 1.00 0.00 H new ATOM 0 HG3 LYS A 56 12.700 0.326 -0.054 1.00 0.00 H new ATOM 0 HD2 LYS A 56 14.323 1.182 -2.480 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.171 2.233 -1.682 1.00 0.00 H new ATOM 0 HE2 LYS A 56 14.486 2.025 0.453 1.00 0.00 H new ATOM 0 HE3 LYS A 56 15.653 1.015 -0.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 16.377 3.299 -0.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 16.104 2.836 -1.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 14.974 3.815 -1.094 1.00 0.00 H new ATOM 974 N GLU A 57 12.166 -4.295 -1.660 1.00 0.00 N ATOM 975 CA GLU A 57 11.189 -5.364 -1.317 1.00 0.00 C ATOM 976 C GLU A 57 11.299 -5.735 0.191 1.00 0.00 C ATOM 977 O GLU A 57 10.388 -5.454 0.972 1.00 0.00 O ATOM 978 CB GLU A 57 11.366 -6.583 -2.272 1.00 0.00 C ATOM 979 CG GLU A 57 11.125 -6.287 -3.776 1.00 0.00 C ATOM 980 CD GLU A 57 12.401 -6.251 -4.622 1.00 0.00 C ATOM 981 OE1 GLU A 57 13.154 -5.278 -4.673 1.00 0.00 O ATOM 982 OE2 GLU A 57 12.604 -7.421 -5.307 1.00 0.00 O ATOM 0 H GLU A 57 12.954 -4.653 -2.200 1.00 0.00 H new ATOM 0 HA GLU A 57 10.173 -4.999 -1.469 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.377 -6.973 -2.153 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.681 -7.371 -1.959 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.455 -7.046 -4.181 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.614 -5.329 -3.869 1.00 0.00 H new ATOM 990 N LYS A 58 12.432 -6.347 0.575 1.00 0.00 N ATOM 991 CA LYS A 58 12.774 -6.656 1.988 1.00 0.00 C ATOM 992 C LYS A 58 14.302 -6.365 2.107 1.00 0.00 C ATOM 993 O LYS A 58 15.127 -7.279 2.207 1.00 0.00 O ATOM 994 CB LYS A 58 12.324 -8.102 2.339 1.00 0.00 C ATOM 995 CG LYS A 58 12.424 -8.454 3.838 1.00 0.00 C ATOM 996 CD LYS A 58 11.915 -9.874 4.153 1.00 0.00 C ATOM 997 CE LYS A 58 12.006 -10.217 5.651 1.00 0.00 C ATOM 998 NZ LYS A 58 11.511 -11.578 5.923 1.00 0.00 N ATOM 0 H LYS A 58 13.148 -6.647 -0.087 1.00 0.00 H new ATOM 0 HA LYS A 58 12.251 -6.047 2.725 1.00 0.00 H new ATOM 0 HB2 LYS A 58 11.292 -8.237 2.014 1.00 0.00 H new ATOM 0 HB3 LYS A 58 12.932 -8.807 1.771 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.462 -8.365 4.159 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.849 -7.730 4.416 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.879 -9.966 3.825 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.495 -10.599 3.582 1.00 0.00 H new ATOM 0 HE2 LYS A 58 13.041 -10.132 5.983 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.426 -9.496 6.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.586 -11.778 6.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.516 -11.651 5.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.081 -12.267 5.392 1.00 0.00 H new ATOM 1011 N ARG A 59 14.649 -5.061 2.080 1.00 0.00 N ATOM 1012 CA ARG A 59 16.051 -4.575 2.048 1.00 0.00 C ATOM 1013 C ARG A 59 16.360 -3.801 3.362 1.00 0.00 C ATOM 1014 O ARG A 59 16.798 -4.428 4.331 1.00 0.00 O ATOM 1015 CB ARG A 59 16.223 -3.808 0.701 1.00 0.00 C ATOM 1016 CG ARG A 59 17.658 -3.367 0.343 1.00 0.00 C ATOM 1017 CD ARG A 59 17.682 -2.544 -0.959 1.00 0.00 C ATOM 1018 NE ARG A 59 19.051 -2.090 -1.300 1.00 0.00 N ATOM 1019 CZ ARG A 59 19.351 -1.312 -2.359 1.00 0.00 C ATOM 1020 NH1 ARG A 59 18.449 -0.862 -3.231 1.00 0.00 N ATOM 1021 NH2 ARG A 59 20.614 -0.975 -2.544 1.00 0.00 N ATOM 0 H ARG A 59 13.961 -4.308 2.080 1.00 0.00 H new ATOM 0 HA ARG A 59 16.806 -5.361 2.045 1.00 0.00 H new ATOM 0 HB2 ARG A 59 15.849 -4.441 -0.103 1.00 0.00 H new ATOM 0 HB3 ARG A 59 15.590 -2.921 0.729 1.00 0.00 H new ATOM 0 HG2 ARG A 59 18.073 -2.774 1.158 1.00 0.00 H new ATOM 0 HG3 ARG A 59 18.294 -4.245 0.232 1.00 0.00 H new ATOM 0 HD2 ARG A 59 17.285 -3.146 -1.776 1.00 0.00 H new ATOM 0 HD3 ARG A 59 17.028 -1.678 -0.854 1.00 0.00 H new ATOM 0 HE ARG A 59 19.816 -2.386 -0.694 1.00 0.00 H new ATOM 0 HH11 ARG A 59 17.465 -1.104 -3.117 1.00 0.00 H new ATOM 0 HH12 ARG A 59 18.743 -0.276 -4.012 1.00 0.00 H new ATOM 0 HH21 ARG A 59 21.330 -1.302 -1.895 1.00 0.00 H new ATOM 0 HH22 ARG A 59 20.874 -0.387 -3.336 1.00 0.00 H new ATOM 1034 N ILE A 60 16.146 -2.469 3.393 1.00 0.00 N ATOM 1035 CA ILE A 60 16.456 -1.609 4.574 1.00 0.00 C ATOM 1036 C ILE A 60 15.173 -0.791 4.901 1.00 0.00 C ATOM 1037 O ILE A 60 14.380 -1.176 5.765 1.00 0.00 O ATOM 1038 CB ILE A 60 17.820 -0.817 4.431 1.00 0.00 C ATOM 1039 CG1 ILE A 60 19.064 -1.724 4.162 1.00 0.00 C ATOM 1040 CG2 ILE A 60 18.101 0.069 5.675 1.00 0.00 C ATOM 1041 CD1 ILE A 60 20.328 -1.000 3.668 1.00 0.00 C ATOM 0 H ILE A 60 15.754 -1.952 2.606 1.00 0.00 H new ATOM 0 HA ILE A 60 16.681 -2.203 5.460 1.00 0.00 H new ATOM 0 HB ILE A 60 17.678 -0.192 3.549 1.00 0.00 H new ATOM 0 HG12 ILE A 60 19.309 -2.254 5.082 1.00 0.00 H new ATOM 0 HG13 ILE A 60 18.788 -2.477 3.424 1.00 0.00 H new ATOM 0 HG21 ILE A 60 19.045 0.597 5.540 1.00 0.00 H new ATOM 0 HG22 ILE A 60 17.295 0.793 5.796 1.00 0.00 H new ATOM 0 HG23 ILE A 60 18.161 -0.560 6.563 1.00 0.00 H new ATOM 0 HD11 ILE A 60 21.127 -1.726 3.515 1.00 0.00 H new ATOM 0 HD12 ILE A 60 20.113 -0.493 2.727 1.00 0.00 H new ATOM 0 HD13 ILE A 60 20.642 -0.267 4.412 1.00 0.00 H new ATOM 1053 N ASP A 61 15.001 0.326 4.189 1.00 0.00 N ATOM 1054 CA ASP A 61 13.894 1.295 4.413 1.00 0.00 C ATOM 1055 C ASP A 61 12.651 0.918 3.561 1.00 0.00 C ATOM 1056 O ASP A 61 12.660 1.052 2.333 1.00 0.00 O ATOM 1057 CB ASP A 61 14.362 2.743 4.095 1.00 0.00 C ATOM 1058 CG ASP A 61 15.417 3.318 5.054 1.00 0.00 C ATOM 1059 OD1 ASP A 61 16.623 3.322 4.809 1.00 0.00 O ATOM 1060 OD2 ASP A 61 14.858 3.815 6.204 1.00 0.00 O ATOM 0 H ASP A 61 15.626 0.597 3.430 1.00 0.00 H new ATOM 0 HA ASP A 61 13.609 1.251 5.464 1.00 0.00 H new ATOM 0 HB2 ASP A 61 14.766 2.763 3.083 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.491 3.399 4.104 1.00 0.00 H new ATOM 1066 N ILE A 62 11.589 0.451 4.242 1.00 0.00 N ATOM 1067 CA ILE A 62 10.304 0.051 3.604 1.00 0.00 C ATOM 1068 C ILE A 62 9.319 1.215 3.892 1.00 0.00 C ATOM 1069 O ILE A 62 8.946 1.536 5.023 1.00 0.00 O ATOM 1070 CB ILE A 62 9.859 -1.378 4.102 1.00 0.00 C ATOM 1071 CG1 ILE A 62 10.544 -2.548 3.325 1.00 0.00 C ATOM 1072 CG2 ILE A 62 8.328 -1.616 4.045 1.00 0.00 C ATOM 1073 CD1 ILE A 62 12.053 -2.734 3.539 1.00 0.00 C ATOM 1074 OXT ILE A 62 8.889 1.826 2.741 1.00 0.00 O ATOM 0 H ILE A 62 11.590 0.337 5.256 1.00 0.00 H new ATOM 0 HA ILE A 62 10.367 -0.080 2.524 1.00 0.00 H new ATOM 0 HB ILE A 62 10.186 -1.383 5.142 1.00 0.00 H new ATOM 0 HG12 ILE A 62 10.045 -3.477 3.601 1.00 0.00 H new ATOM 0 HG13 ILE A 62 10.368 -2.397 2.260 1.00 0.00 H new ATOM 0 HG21 ILE A 62 8.102 -2.620 4.403 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.822 -0.884 4.675 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.982 -1.511 3.017 1.00 0.00 H new ATOM 0 HD11 ILE A 62 12.404 -3.578 2.944 1.00 0.00 H new ATOM 0 HD12 ILE A 62 12.578 -1.830 3.231 1.00 0.00 H new ATOM 0 HD13 ILE A 62 12.250 -2.927 4.594 1.00 0.00 H new TER 1087 ILE A 62