USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=11 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 Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=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 56:sc= 0.161 USER MOD Single : A 8 SER OG : rot -0:sc= 0.112 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= -0.334 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0.28) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.589 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl -172:sc= 0 (180deg=-0.0665) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 41 MET CE :methyl -162:sc= -0.449 (180deg=-2.06) USER MOD Single : A 43 LYS NZ :NH3+ 139:sc= 0.0672 (180deg=0) 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 -19.045 6.150 -2.910 1.00 0.00 N ATOM 2 CA ARG A 1 -18.211 5.352 -3.838 1.00 0.00 C ATOM 3 C ARG A 1 -17.827 3.996 -3.183 1.00 0.00 C ATOM 4 O ARG A 1 -18.549 3.013 -3.380 1.00 0.00 O ATOM 5 CB ARG A 1 -17.078 6.181 -4.520 1.00 0.00 C ATOM 6 CG ARG A 1 -16.137 7.030 -3.627 1.00 0.00 C ATOM 7 CD ARG A 1 -15.041 7.757 -4.430 1.00 0.00 C ATOM 8 NE ARG A 1 -14.286 8.697 -3.567 1.00 0.00 N ATOM 9 CZ ARG A 1 -13.180 9.368 -3.944 1.00 0.00 C ATOM 10 NH1 ARG A 1 -12.612 9.252 -5.142 1.00 0.00 N ATOM 11 NH2 ARG A 1 -12.625 10.192 -3.073 1.00 0.00 N ATOM 0 H1 ARG A 1 -19.296 7.054 -3.359 1.00 0.00 H new ATOM 0 H2 ARG A 1 -19.913 5.624 -2.683 1.00 0.00 H new ATOM 0 H3 ARG A 1 -18.513 6.333 -2.035 1.00 0.00 H new ATOM 0 HA ARG A 1 -18.797 5.070 -4.712 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -16.458 5.488 -5.089 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -17.547 6.853 -5.239 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -16.728 7.765 -3.081 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -15.668 6.384 -2.885 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -14.358 7.027 -4.863 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -15.493 8.302 -5.259 1.00 0.00 H new ATOM 0 HE ARG A 1 -14.629 8.847 -2.618 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -13.015 8.625 -5.839 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -11.774 9.790 -5.363 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -13.035 10.305 -2.146 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -11.787 10.715 -3.328 1.00 0.00 H new ATOM 24 N ARG A 2 -16.722 3.937 -2.416 1.00 0.00 N ATOM 25 CA ARG A 2 -16.228 2.695 -1.762 1.00 0.00 C ATOM 26 C ARG A 2 -15.879 3.094 -0.297 1.00 0.00 C ATOM 27 O ARG A 2 -16.794 3.171 0.530 1.00 0.00 O ATOM 28 CB ARG A 2 -15.091 2.077 -2.637 1.00 0.00 C ATOM 29 CG ARG A 2 -15.565 1.223 -3.843 1.00 0.00 C ATOM 30 CD ARG A 2 -14.699 1.329 -5.115 1.00 0.00 C ATOM 31 NE ARG A 2 -14.849 2.661 -5.758 1.00 0.00 N ATOM 32 CZ ARG A 2 -14.684 2.917 -7.069 1.00 0.00 C ATOM 33 NH1 ARG A 2 -14.363 1.995 -7.974 1.00 0.00 N ATOM 34 NH2 ARG A 2 -14.855 4.159 -7.483 1.00 0.00 N ATOM 0 H ARG A 2 -16.138 4.752 -2.227 1.00 0.00 H new ATOM 0 HA ARG A 2 -16.952 1.883 -1.693 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -14.464 2.886 -3.011 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -14.462 1.456 -1.999 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -15.599 0.178 -3.534 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -16.585 1.515 -4.094 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -13.653 1.161 -4.861 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -14.985 0.548 -5.819 1.00 0.00 H new ATOM 0 HE ARG A 2 -15.098 3.446 -5.156 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -14.227 1.025 -7.688 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -14.253 2.258 -8.953 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -15.104 4.889 -6.816 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -14.738 4.388 -8.470 1.00 0.00 H new ATOM 47 N ARG A 3 -14.595 3.342 0.035 1.00 0.00 N ATOM 48 CA ARG A 3 -14.165 3.816 1.379 1.00 0.00 C ATOM 49 C ARG A 3 -12.843 4.603 1.143 1.00 0.00 C ATOM 50 O ARG A 3 -11.740 4.074 1.316 1.00 0.00 O ATOM 51 CB ARG A 3 -14.071 2.634 2.387 1.00 0.00 C ATOM 52 CG ARG A 3 -13.733 3.017 3.841 1.00 0.00 C ATOM 53 CD ARG A 3 -13.729 1.791 4.774 1.00 0.00 C ATOM 54 NE ARG A 3 -13.195 2.135 6.114 1.00 0.00 N ATOM 55 CZ ARG A 3 -12.634 1.254 6.967 1.00 0.00 C ATOM 56 NH1 ARG A 3 -12.498 -0.047 6.713 1.00 0.00 N ATOM 57 NH2 ARG A 3 -12.191 1.708 8.124 1.00 0.00 N ATOM 0 H ARG A 3 -13.821 3.221 -0.618 1.00 0.00 H new ATOM 0 HA ARG A 3 -14.887 4.482 1.852 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -15.022 2.102 2.383 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -13.314 1.936 2.030 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -12.756 3.499 3.871 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.459 3.745 4.202 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -14.743 1.403 4.873 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -13.126 0.997 4.333 1.00 0.00 H new ATOM 0 HE ARG A 3 -13.256 3.109 6.412 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -12.828 -0.431 5.828 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -12.063 -0.659 7.404 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -12.278 2.699 8.350 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -11.761 1.068 8.792 1.00 0.00 H new ATOM 70 N LYS A 4 -12.985 5.874 0.719 1.00 0.00 N ATOM 71 CA LYS A 4 -11.847 6.763 0.378 1.00 0.00 C ATOM 72 C LYS A 4 -11.953 8.023 1.278 1.00 0.00 C ATOM 73 O LYS A 4 -12.768 8.910 0.996 1.00 0.00 O ATOM 74 CB LYS A 4 -11.909 7.158 -1.131 1.00 0.00 C ATOM 75 CG LYS A 4 -11.387 6.177 -2.206 1.00 0.00 C ATOM 76 CD LYS A 4 -12.258 4.944 -2.526 1.00 0.00 C ATOM 77 CE LYS A 4 -11.780 4.155 -3.764 1.00 0.00 C ATOM 78 NZ LYS A 4 -12.086 4.836 -5.037 1.00 0.00 N ATOM 0 H LYS A 4 -13.895 6.319 0.601 1.00 0.00 H new ATOM 0 HA LYS A 4 -10.897 6.257 0.548 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -12.951 7.375 -1.367 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -11.356 8.090 -1.246 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -11.243 6.736 -3.130 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.405 5.823 -1.891 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -12.264 4.280 -1.662 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -13.286 5.268 -2.686 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.704 3.996 -3.693 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.248 3.171 -3.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.742 4.259 -5.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.114 4.965 -5.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.618 5.765 -5.055 1.00 0.00 H new ATOM 91 N LYS A 5 -11.145 8.111 2.362 1.00 0.00 N ATOM 92 CA LYS A 5 -11.170 9.304 3.270 1.00 0.00 C ATOM 93 C LYS A 5 -9.871 9.612 4.090 1.00 0.00 C ATOM 94 O LYS A 5 -9.952 10.236 5.154 1.00 0.00 O ATOM 95 CB LYS A 5 -12.456 9.252 4.168 1.00 0.00 C ATOM 96 CG LYS A 5 -13.066 10.612 4.581 1.00 0.00 C ATOM 97 CD LYS A 5 -13.719 11.398 3.419 1.00 0.00 C ATOM 98 CE LYS A 5 -14.380 12.728 3.830 1.00 0.00 C ATOM 99 NZ LYS A 5 -15.632 12.545 4.589 1.00 0.00 N ATOM 0 H LYS A 5 -10.477 7.390 2.633 1.00 0.00 H new ATOM 0 HA LYS A 5 -11.206 10.165 2.603 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -13.219 8.683 3.638 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -12.217 8.696 5.075 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.815 10.441 5.354 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -12.284 11.227 5.026 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -12.959 11.604 2.666 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -14.471 10.765 2.948 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -13.678 13.304 4.433 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -14.588 13.315 2.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -16.027 13.475 4.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -16.317 12.021 4.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -15.435 12.010 5.459 1.00 0.00 H new ATOM 112 N ARG A 6 -8.675 9.212 3.615 1.00 0.00 N ATOM 113 CA ARG A 6 -7.380 9.539 4.285 1.00 0.00 C ATOM 114 C ARG A 6 -6.226 9.503 3.250 1.00 0.00 C ATOM 115 O ARG A 6 -6.074 8.540 2.495 1.00 0.00 O ATOM 116 CB ARG A 6 -7.155 8.708 5.588 1.00 0.00 C ATOM 117 CG ARG A 6 -5.713 8.334 6.012 1.00 0.00 C ATOM 118 CD ARG A 6 -5.680 7.577 7.351 1.00 0.00 C ATOM 119 NE ARG A 6 -4.313 7.106 7.677 1.00 0.00 N ATOM 120 CZ ARG A 6 -3.982 6.462 8.812 1.00 0.00 C ATOM 121 NH1 ARG A 6 -4.842 6.198 9.794 1.00 0.00 N ATOM 122 NH2 ARG A 6 -2.733 6.066 8.961 1.00 0.00 N ATOM 0 H ARG A 6 -8.569 8.658 2.765 1.00 0.00 H new ATOM 0 HA ARG A 6 -7.409 10.563 4.657 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.605 9.263 6.411 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.717 7.780 5.485 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -5.256 7.719 5.237 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -5.113 9.241 6.094 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.041 8.228 8.147 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.358 6.725 7.305 1.00 0.00 H new ATOM 0 HE ARG A 6 -3.574 7.281 6.996 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -5.816 6.488 9.710 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -4.526 5.705 10.630 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -2.049 6.250 8.227 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -2.451 5.576 9.810 1.00 0.00 H new ATOM 135 N THR A 7 -5.389 10.555 3.276 1.00 0.00 N ATOM 136 CA THR A 7 -4.163 10.633 2.421 1.00 0.00 C ATOM 137 C THR A 7 -2.945 11.142 3.258 1.00 0.00 C ATOM 138 O THR A 7 -2.332 12.174 2.963 1.00 0.00 O ATOM 139 CB THR A 7 -4.368 11.422 1.091 1.00 0.00 C ATOM 140 OG1 THR A 7 -4.641 12.798 1.344 1.00 0.00 O ATOM 141 CG2 THR A 7 -5.463 10.884 0.164 1.00 0.00 C ATOM 0 H THR A 7 -5.528 11.369 3.875 1.00 0.00 H new ATOM 0 HA THR A 7 -3.940 9.619 2.090 1.00 0.00 H new ATOM 0 HB THR A 7 -3.420 11.289 0.571 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.917 13.182 1.882 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.521 11.505 -0.730 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.227 9.859 -0.121 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.421 10.904 0.683 1.00 0.00 H new ATOM 149 N SER A 8 -2.596 10.376 4.305 1.00 0.00 N ATOM 150 CA SER A 8 -1.435 10.646 5.185 1.00 0.00 C ATOM 151 C SER A 8 -0.989 9.249 5.652 1.00 0.00 C ATOM 152 O SER A 8 -1.727 8.525 6.334 1.00 0.00 O ATOM 153 CB SER A 8 -1.751 11.549 6.393 1.00 0.00 C ATOM 154 OG SER A 8 -2.145 12.851 5.978 1.00 0.00 O ATOM 0 H SER A 8 -3.116 9.540 4.572 1.00 0.00 H new ATOM 0 HA SER A 8 -0.668 11.199 4.643 1.00 0.00 H new ATOM 0 HB2 SER A 8 -2.546 11.099 6.988 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.873 11.620 7.036 1.00 0.00 H new ATOM 0 HG SER A 8 -2.125 12.902 5.000 1.00 0.00 H new ATOM 160 N ILE A 9 0.247 8.890 5.284 1.00 0.00 N ATOM 161 CA ILE A 9 0.793 7.544 5.506 1.00 0.00 C ATOM 162 C ILE A 9 1.469 7.554 6.910 1.00 0.00 C ATOM 163 O ILE A 9 2.579 8.078 7.057 1.00 0.00 O ATOM 164 CB ILE A 9 1.752 7.141 4.335 1.00 0.00 C ATOM 165 CG1 ILE A 9 1.787 7.927 2.996 1.00 0.00 C ATOM 166 CG2 ILE A 9 1.659 5.627 4.057 1.00 0.00 C ATOM 167 CD1 ILE A 9 0.545 7.950 2.092 1.00 0.00 C ATOM 0 H ILE A 9 0.898 9.525 4.823 1.00 0.00 H new ATOM 0 HA ILE A 9 0.017 6.779 5.503 1.00 0.00 H new ATOM 0 HB ILE A 9 2.701 7.460 4.766 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.036 8.961 3.233 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.612 7.527 2.406 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.332 5.365 3.241 1.00 0.00 H new ATOM 0 HG22 ILE A 9 1.943 5.074 4.953 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.636 5.370 3.781 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.753 8.546 1.203 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.292 6.932 1.795 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.292 8.388 2.635 1.00 0.00 H new ATOM 179 N GLU A 10 0.783 7.018 7.937 1.00 0.00 N ATOM 180 CA GLU A 10 1.291 7.037 9.335 1.00 0.00 C ATOM 181 C GLU A 10 1.631 5.566 9.703 1.00 0.00 C ATOM 182 O GLU A 10 2.541 5.000 9.091 1.00 0.00 O ATOM 183 CB GLU A 10 0.303 7.828 10.249 1.00 0.00 C ATOM 184 CG GLU A 10 0.127 9.327 9.909 1.00 0.00 C ATOM 185 CD GLU A 10 -0.941 10.006 10.769 1.00 0.00 C ATOM 186 OE1 GLU A 10 -2.124 10.084 10.440 1.00 0.00 O ATOM 187 OE2 GLU A 10 -0.426 10.509 11.936 1.00 0.00 O ATOM 0 H GLU A 10 -0.125 6.565 7.832 1.00 0.00 H new ATOM 0 HA GLU A 10 2.218 7.592 9.479 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.673 7.346 10.199 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.647 7.746 11.280 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.079 9.841 10.046 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.141 9.428 8.857 1.00 0.00 H new ATOM 195 N THR A 11 1.011 4.983 10.742 1.00 0.00 N ATOM 196 CA THR A 11 1.219 3.559 11.130 1.00 0.00 C ATOM 197 C THR A 11 0.271 2.574 10.407 1.00 0.00 C ATOM 198 O THR A 11 0.689 1.878 9.481 1.00 0.00 O ATOM 199 CB THR A 11 1.316 3.345 12.673 1.00 0.00 C ATOM 200 OG1 THR A 11 0.187 3.897 13.346 1.00 0.00 O ATOM 201 CG2 THR A 11 2.591 3.918 13.300 1.00 0.00 C ATOM 0 H THR A 11 0.350 5.476 11.342 1.00 0.00 H new ATOM 0 HA THR A 11 2.209 3.299 10.756 1.00 0.00 H new ATOM 0 HB THR A 11 1.342 2.263 12.802 1.00 0.00 H new ATOM 0 HG1 THR A 11 0.275 3.746 14.310 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.585 3.730 14.374 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.463 3.440 12.853 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.634 4.992 13.120 1.00 0.00 H new ATOM 209 N ASN A 12 -0.994 2.520 10.854 1.00 0.00 N ATOM 210 CA ASN A 12 -1.990 1.520 10.385 1.00 0.00 C ATOM 211 C ASN A 12 -2.361 1.468 8.872 1.00 0.00 C ATOM 212 O ASN A 12 -2.639 0.364 8.392 1.00 0.00 O ATOM 213 CB ASN A 12 -3.217 1.527 11.331 1.00 0.00 C ATOM 214 CG ASN A 12 -4.168 2.743 11.256 1.00 0.00 C ATOM 215 OD1 ASN A 12 -4.981 2.865 10.340 1.00 0.00 O ATOM 216 ND2 ASN A 12 -4.090 3.656 12.212 1.00 0.00 N ATOM 0 H ASN A 12 -1.364 3.166 11.552 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.459 0.571 10.451 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -3.802 0.629 11.130 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -2.853 1.447 12.355 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -4.707 4.468 12.193 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -3.413 3.547 12.967 1.00 0.00 H new ATOM 223 N ILE A 13 -2.390 2.595 8.120 1.00 0.00 N ATOM 224 CA ILE A 13 -2.540 2.529 6.632 1.00 0.00 C ATOM 225 C ILE A 13 -1.225 1.989 5.964 1.00 0.00 C ATOM 226 O ILE A 13 -1.300 1.088 5.132 1.00 0.00 O ATOM 227 CB ILE A 13 -3.150 3.810 5.960 1.00 0.00 C ATOM 228 CG1 ILE A 13 -4.068 3.425 4.801 1.00 0.00 C ATOM 229 CG2 ILE A 13 -2.104 4.864 5.519 1.00 0.00 C ATOM 230 CD1 ILE A 13 -4.885 4.625 4.362 1.00 0.00 C ATOM 0 H ILE A 13 -2.314 3.539 8.499 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.320 1.795 6.432 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.735 4.300 6.738 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.475 3.054 3.965 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.731 2.616 5.106 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.613 5.714 5.065 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.538 5.201 6.388 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.423 4.419 4.793 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.536 4.339 3.536 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -5.491 4.977 5.196 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.216 5.422 4.038 1.00 0.00 H new ATOM 242 N ARG A 14 -0.050 2.533 6.349 1.00 0.00 N ATOM 243 CA ARG A 14 1.292 2.104 5.863 1.00 0.00 C ATOM 244 C ARG A 14 1.679 0.612 6.052 1.00 0.00 C ATOM 245 O ARG A 14 2.357 0.054 5.197 1.00 0.00 O ATOM 246 CB ARG A 14 2.350 2.968 6.618 1.00 0.00 C ATOM 247 CG ARG A 14 3.613 3.265 5.782 1.00 0.00 C ATOM 248 CD ARG A 14 4.321 4.582 6.149 1.00 0.00 C ATOM 249 NE ARG A 14 5.164 4.449 7.362 1.00 0.00 N ATOM 250 CZ ARG A 14 5.690 5.483 8.045 1.00 0.00 C ATOM 251 NH1 ARG A 14 5.520 6.761 7.710 1.00 0.00 N ATOM 252 NH2 ARG A 14 6.417 5.214 9.114 1.00 0.00 N ATOM 0 H ARG A 14 -0.000 3.299 7.020 1.00 0.00 H new ATOM 0 HA ARG A 14 1.261 2.242 4.782 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.891 3.911 6.916 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.642 2.452 7.533 1.00 0.00 H new ATOM 0 HG2 ARG A 14 4.317 2.442 5.904 1.00 0.00 H new ATOM 0 HG3 ARG A 14 3.338 3.296 4.728 1.00 0.00 H new ATOM 0 HD2 ARG A 14 4.941 4.904 5.312 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.575 5.360 6.311 1.00 0.00 H new ATOM 0 HE ARG A 14 5.359 3.508 7.703 1.00 0.00 H new ATOM 0 HH11 ARG A 14 4.962 7.004 6.891 1.00 0.00 H new ATOM 0 HH12 ARG A 14 5.947 7.497 8.272 1.00 0.00 H new ATOM 0 HH21 ARG A 14 6.565 4.246 9.399 1.00 0.00 H new ATOM 0 HH22 ARG A 14 6.830 5.974 9.654 1.00 0.00 H new ATOM 265 N VAL A 15 1.276 0.042 7.194 1.00 0.00 N ATOM 266 CA VAL A 15 1.485 -1.384 7.587 1.00 0.00 C ATOM 267 C VAL A 15 0.630 -2.361 6.724 1.00 0.00 C ATOM 268 O VAL A 15 1.150 -3.343 6.198 1.00 0.00 O ATOM 269 CB VAL A 15 1.302 -1.516 9.142 1.00 0.00 C ATOM 270 CG1 VAL A 15 -0.127 -1.761 9.653 1.00 0.00 C ATOM 271 CG2 VAL A 15 2.170 -2.614 9.755 1.00 0.00 C ATOM 0 H VAL A 15 0.774 0.570 7.908 1.00 0.00 H new ATOM 0 HA VAL A 15 2.507 -1.694 7.367 1.00 0.00 H new ATOM 0 HB VAL A 15 1.609 -0.521 9.463 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.117 -1.833 10.741 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.769 -0.934 9.350 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.510 -2.690 9.231 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.999 -2.655 10.831 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.911 -3.574 9.309 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.221 -2.397 9.563 1.00 0.00 H new ATOM 281 N ALA A 16 -0.674 -2.053 6.607 1.00 0.00 N ATOM 282 CA ALA A 16 -1.618 -2.722 5.677 1.00 0.00 C ATOM 283 C ALA A 16 -1.223 -2.571 4.172 1.00 0.00 C ATOM 284 O ALA A 16 -1.450 -3.509 3.406 1.00 0.00 O ATOM 285 CB ALA A 16 -3.026 -2.170 5.958 1.00 0.00 C ATOM 0 H ALA A 16 -1.115 -1.320 7.163 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.586 -3.796 5.859 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.743 -2.644 5.288 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.300 -2.382 6.992 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.034 -1.092 5.794 1.00 0.00 H new ATOM 291 N LEU A 17 -0.631 -1.422 3.761 1.00 0.00 N ATOM 292 CA LEU A 17 -0.059 -1.226 2.402 1.00 0.00 C ATOM 293 C LEU A 17 1.303 -1.943 2.187 1.00 0.00 C ATOM 294 O LEU A 17 1.566 -2.434 1.086 1.00 0.00 O ATOM 295 CB LEU A 17 -0.057 0.284 2.058 1.00 0.00 C ATOM 296 CG LEU A 17 -1.462 0.862 1.749 1.00 0.00 C ATOM 297 CD1 LEU A 17 -1.574 2.317 1.307 1.00 0.00 C ATOM 298 CD2 LEU A 17 -2.404 0.041 0.838 1.00 0.00 C ATOM 0 H LEU A 17 -0.536 -0.603 4.362 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.704 -1.725 1.679 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.376 0.836 2.892 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.590 0.449 1.197 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.802 0.785 2.782 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.621 2.564 1.131 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.174 2.966 2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.007 2.463 0.387 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.347 0.574 0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.937 -0.099 -0.137 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.593 -0.931 1.293 1.00 0.00 H new ATOM 310 N GLU A 18 2.151 -2.028 3.226 1.00 0.00 N ATOM 311 CA GLU A 18 3.365 -2.878 3.237 1.00 0.00 C ATOM 312 C GLU A 18 2.997 -4.390 3.144 1.00 0.00 C ATOM 313 O GLU A 18 3.622 -5.106 2.371 1.00 0.00 O ATOM 314 CB GLU A 18 4.285 -2.430 4.417 1.00 0.00 C ATOM 315 CG GLU A 18 5.163 -3.458 5.162 1.00 0.00 C ATOM 316 CD GLU A 18 4.479 -4.193 6.320 1.00 0.00 C ATOM 317 OE1 GLU A 18 4.182 -3.652 7.383 1.00 0.00 O ATOM 318 OE2 GLU A 18 4.259 -5.518 6.043 1.00 0.00 O ATOM 0 H GLU A 18 2.016 -1.506 4.092 1.00 0.00 H new ATOM 0 HA GLU A 18 3.971 -2.736 2.342 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.951 -1.659 4.030 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.645 -1.955 5.161 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.516 -4.197 4.443 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.043 -2.945 5.549 1.00 0.00 H new ATOM 326 N LYS A 19 1.986 -4.891 3.871 1.00 0.00 N ATOM 327 CA LYS A 19 1.555 -6.313 3.780 1.00 0.00 C ATOM 328 C LYS A 19 0.757 -6.724 2.490 1.00 0.00 C ATOM 329 O LYS A 19 0.757 -7.896 2.106 1.00 0.00 O ATOM 330 CB LYS A 19 0.882 -6.596 5.150 1.00 0.00 C ATOM 331 CG LYS A 19 0.570 -8.054 5.524 1.00 0.00 C ATOM 332 CD LYS A 19 0.015 -8.131 6.966 1.00 0.00 C ATOM 333 CE LYS A 19 -0.311 -9.570 7.402 1.00 0.00 C ATOM 334 NZ LYS A 19 -0.841 -9.611 8.777 1.00 0.00 N ATOM 0 H LYS A 19 1.444 -4.337 4.534 1.00 0.00 H new ATOM 0 HA LYS A 19 2.403 -6.979 3.620 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.526 -6.184 5.927 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.054 -6.038 5.182 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.156 -8.469 4.825 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.473 -8.659 5.442 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.744 -7.704 7.655 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.886 -7.522 7.037 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.040 -10.003 6.717 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.588 -10.183 7.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.050 -10.595 9.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.135 -9.221 9.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.712 -9.046 8.830 1.00 0.00 H new ATOM 347 N SER A 20 0.156 -5.734 1.808 1.00 0.00 N ATOM 348 CA SER A 20 -0.355 -5.799 0.402 1.00 0.00 C ATOM 349 C SER A 20 0.705 -6.326 -0.616 1.00 0.00 C ATOM 350 O SER A 20 0.457 -7.256 -1.384 1.00 0.00 O ATOM 351 CB SER A 20 -0.725 -4.321 0.087 1.00 0.00 C ATOM 352 OG SER A 20 -2.030 -4.201 -0.452 1.00 0.00 O ATOM 0 H SER A 20 -0.001 -4.818 2.230 1.00 0.00 H new ATOM 0 HA SER A 20 -1.187 -6.497 0.312 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.654 -3.728 0.999 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.003 -3.909 -0.618 1.00 0.00 H new ATOM 0 HG SER A 20 -2.223 -3.258 -0.634 1.00 0.00 H new ATOM 358 N PHE A 21 1.889 -5.707 -0.533 1.00 0.00 N ATOM 359 CA PHE A 21 3.107 -5.999 -1.304 1.00 0.00 C ATOM 360 C PHE A 21 3.700 -7.422 -1.032 1.00 0.00 C ATOM 361 O PHE A 21 3.975 -8.177 -1.965 1.00 0.00 O ATOM 362 CB PHE A 21 4.026 -4.826 -0.856 1.00 0.00 C ATOM 363 CG PHE A 21 5.307 -4.613 -1.656 1.00 0.00 C ATOM 364 CD1 PHE A 21 6.441 -5.389 -1.385 1.00 0.00 C ATOM 365 CD2 PHE A 21 5.423 -3.461 -2.433 1.00 0.00 C ATOM 366 CE1 PHE A 21 7.689 -4.976 -1.829 1.00 0.00 C ATOM 367 CE2 PHE A 21 6.668 -3.064 -2.896 1.00 0.00 C ATOM 368 CZ PHE A 21 7.804 -3.802 -2.560 1.00 0.00 C ATOM 0 H PHE A 21 2.033 -4.936 0.119 1.00 0.00 H new ATOM 0 HA PHE A 21 2.953 -6.046 -2.382 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.444 -3.905 -0.894 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.299 -4.988 0.187 1.00 0.00 H new ATOM 0 HD1 PHE A 21 6.344 -6.310 -0.830 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.545 -2.880 -2.674 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.566 -5.565 -1.607 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.759 -2.184 -3.516 1.00 0.00 H new ATOM 0 HZ PHE A 21 8.779 -3.457 -2.871 1.00 0.00 H new ATOM 378 N LEU A 22 3.877 -7.759 0.257 1.00 0.00 N ATOM 379 CA LEU A 22 4.335 -9.096 0.744 1.00 0.00 C ATOM 380 C LEU A 22 3.433 -10.325 0.380 1.00 0.00 C ATOM 381 O LEU A 22 3.928 -11.456 0.379 1.00 0.00 O ATOM 382 CB LEU A 22 4.600 -9.053 2.262 1.00 0.00 C ATOM 383 CG LEU A 22 5.556 -7.932 2.760 1.00 0.00 C ATOM 384 CD1 LEU A 22 5.759 -8.084 4.255 1.00 0.00 C ATOM 385 CD2 LEU A 22 6.921 -7.859 2.054 1.00 0.00 C ATOM 0 H LEU A 22 3.705 -7.101 1.017 1.00 0.00 H new ATOM 0 HA LEU A 22 5.257 -9.275 0.190 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.644 -8.941 2.774 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.013 -10.015 2.565 1.00 0.00 H new ATOM 0 HG LEU A 22 5.063 -6.993 2.509 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.428 -7.302 4.613 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.798 -8.000 4.763 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.196 -9.060 4.465 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.507 -7.044 2.478 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.454 -8.800 2.194 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.771 -7.682 0.989 1.00 0.00 H new ATOM 397 N GLU A 23 2.146 -10.101 0.032 1.00 0.00 N ATOM 398 CA GLU A 23 1.212 -11.150 -0.456 1.00 0.00 C ATOM 399 C GLU A 23 1.510 -11.326 -1.981 1.00 0.00 C ATOM 400 O GLU A 23 2.030 -12.369 -2.384 1.00 0.00 O ATOM 401 CB GLU A 23 -0.247 -10.714 -0.101 1.00 0.00 C ATOM 402 CG GLU A 23 -1.321 -11.822 -0.169 1.00 0.00 C ATOM 403 CD GLU A 23 -1.692 -12.276 -1.588 1.00 0.00 C ATOM 404 OE1 GLU A 23 -2.376 -11.603 -2.357 1.00 0.00 O ATOM 405 OE2 GLU A 23 -1.167 -13.506 -1.895 1.00 0.00 O ATOM 0 H GLU A 23 1.718 -9.176 0.081 1.00 0.00 H new ATOM 0 HA GLU A 23 1.340 -12.125 0.014 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.246 -10.298 0.907 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.539 -9.910 -0.777 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.966 -12.686 0.392 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.222 -11.466 0.330 1.00 0.00 H new ATOM 413 N ASN A 24 1.208 -10.295 -2.788 1.00 0.00 N ATOM 414 CA ASN A 24 1.619 -10.193 -4.211 1.00 0.00 C ATOM 415 C ASN A 24 2.064 -8.715 -4.373 1.00 0.00 C ATOM 416 O ASN A 24 1.382 -7.781 -3.928 1.00 0.00 O ATOM 417 CB ASN A 24 0.535 -10.510 -5.271 1.00 0.00 C ATOM 418 CG ASN A 24 -0.199 -11.849 -5.199 1.00 0.00 C ATOM 419 OD1 ASN A 24 0.293 -12.866 -4.711 1.00 0.00 O ATOM 420 ND2 ASN A 24 -1.385 -11.872 -5.772 1.00 0.00 N ATOM 0 H ASN A 24 0.663 -9.493 -2.471 1.00 0.00 H new ATOM 0 HA ASN A 24 2.384 -10.946 -4.399 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.215 -9.720 -5.222 1.00 0.00 H new ATOM 0 HB3 ASN A 24 1.004 -10.444 -6.253 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.913 -12.744 -5.817 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.775 -11.018 -6.171 1.00 0.00 H new ATOM 427 N GLN A 25 3.198 -8.498 -5.054 1.00 0.00 N ATOM 428 CA GLN A 25 3.760 -7.125 -5.244 1.00 0.00 C ATOM 429 C GLN A 25 2.855 -6.299 -6.189 1.00 0.00 C ATOM 430 O GLN A 25 2.167 -5.419 -5.671 1.00 0.00 O ATOM 431 CB GLN A 25 5.270 -7.145 -5.584 1.00 0.00 C ATOM 432 CG GLN A 25 6.031 -5.829 -5.323 1.00 0.00 C ATOM 433 CD GLN A 25 5.895 -4.745 -6.408 1.00 0.00 C ATOM 434 OE1 GLN A 25 6.390 -4.900 -7.523 1.00 0.00 O ATOM 435 NE2 GLN A 25 5.238 -3.633 -6.112 1.00 0.00 N ATOM 0 H GLN A 25 3.751 -9.239 -5.485 1.00 0.00 H new ATOM 0 HA GLN A 25 3.740 -6.589 -4.295 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.744 -7.938 -5.005 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.384 -7.407 -6.636 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.685 -5.414 -4.377 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.089 -6.062 -5.201 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.831 -3.513 -5.185 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.140 -2.897 -6.812 1.00 0.00 H new ATOM 444 N LYS A 26 2.840 -6.636 -7.501 1.00 0.00 N ATOM 445 CA LYS A 26 1.920 -6.095 -8.561 1.00 0.00 C ATOM 446 C LYS A 26 0.579 -5.507 -8.072 1.00 0.00 C ATOM 447 O LYS A 26 -0.377 -6.273 -7.905 1.00 0.00 O ATOM 448 CB LYS A 26 1.707 -7.211 -9.632 1.00 0.00 C ATOM 449 CG LYS A 26 2.954 -7.742 -10.386 1.00 0.00 C ATOM 450 CD LYS A 26 3.715 -6.694 -11.230 1.00 0.00 C ATOM 451 CE LYS A 26 4.969 -7.232 -11.949 1.00 0.00 C ATOM 452 NZ LYS A 26 4.660 -8.147 -13.064 1.00 0.00 N ATOM 0 H LYS A 26 3.494 -7.322 -7.878 1.00 0.00 H new ATOM 0 HA LYS A 26 2.416 -5.221 -8.984 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.227 -8.058 -9.141 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.004 -6.832 -10.374 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.644 -8.167 -9.657 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.642 -8.555 -11.042 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.034 -6.284 -11.975 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.011 -5.870 -10.581 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.549 -6.391 -12.329 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.598 -7.752 -11.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.545 -8.471 -13.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.132 -8.967 -12.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.085 -7.649 -13.773 1.00 0.00 H new ATOM 465 N PRO A 27 0.476 -4.156 -7.860 1.00 0.00 N ATOM 466 CA PRO A 27 -0.789 -3.450 -7.632 1.00 0.00 C ATOM 467 C PRO A 27 -2.024 -3.942 -8.391 1.00 0.00 C ATOM 468 O PRO A 27 -3.054 -4.194 -7.762 1.00 0.00 O ATOM 469 CB PRO A 27 -0.407 -2.000 -8.023 1.00 0.00 C ATOM 470 CG PRO A 27 1.115 -1.931 -8.165 1.00 0.00 C ATOM 471 CD PRO A 27 1.588 -3.233 -7.538 1.00 0.00 C ATOM 0 HA PRO A 27 -1.132 -3.601 -6.608 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -0.890 -1.718 -8.959 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.751 -1.298 -7.263 1.00 0.00 H new ATOM 0 HG2 PRO A 27 1.418 -1.855 -9.209 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.528 -1.064 -7.649 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.533 -3.570 -7.963 1.00 0.00 H new ATOM 0 HD3 PRO A 27 1.739 -3.136 -6.463 1.00 0.00 H new ATOM 479 N THR A 28 -1.874 -4.091 -9.731 1.00 0.00 N ATOM 480 CA THR A 28 -2.971 -4.398 -10.649 1.00 0.00 C ATOM 481 C THR A 28 -3.792 -3.072 -10.649 1.00 0.00 C ATOM 482 O THR A 28 -4.510 -2.812 -9.692 1.00 0.00 O ATOM 483 CB THR A 28 -3.396 -5.908 -10.727 1.00 0.00 C ATOM 484 OG1 THR A 28 -3.331 -6.561 -9.466 1.00 0.00 O ATOM 485 CG2 THR A 28 -2.460 -6.761 -11.616 1.00 0.00 C ATOM 0 H THR A 28 -0.972 -3.998 -10.198 1.00 0.00 H new ATOM 0 HA THR A 28 -2.884 -4.581 -11.720 1.00 0.00 H new ATOM 0 HB THR A 28 -4.409 -5.854 -11.125 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.606 -7.496 -9.567 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.810 -7.793 -11.627 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.463 -6.366 -12.632 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.447 -6.725 -11.216 1.00 0.00 H new ATOM 493 N SER A 29 -3.547 -2.131 -11.600 1.00 0.00 N ATOM 494 CA SER A 29 -4.200 -0.774 -11.617 1.00 0.00 C ATOM 495 C SER A 29 -5.724 -0.699 -11.277 1.00 0.00 C ATOM 496 O SER A 29 -6.205 0.251 -10.657 1.00 0.00 O ATOM 497 CB SER A 29 -3.956 -0.154 -13.008 1.00 0.00 C ATOM 498 OG SER A 29 -2.611 0.289 -13.149 1.00 0.00 O ATOM 0 H SER A 29 -2.899 -2.280 -12.374 1.00 0.00 H new ATOM 0 HA SER A 29 -3.734 -0.225 -10.798 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.182 -0.889 -13.781 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.635 0.685 -13.158 1.00 0.00 H new ATOM 0 HG SER A 29 -2.486 0.676 -14.041 1.00 0.00 H new ATOM 504 N GLU A 30 -6.417 -1.750 -11.713 1.00 0.00 N ATOM 505 CA GLU A 30 -7.856 -2.006 -11.350 1.00 0.00 C ATOM 506 C GLU A 30 -7.998 -2.688 -9.958 1.00 0.00 C ATOM 507 O GLU A 30 -8.826 -2.270 -9.149 1.00 0.00 O ATOM 508 CB GLU A 30 -8.587 -2.798 -12.466 1.00 0.00 C ATOM 509 CG GLU A 30 -8.807 -2.010 -13.776 1.00 0.00 C ATOM 510 CD GLU A 30 -9.520 -2.837 -14.849 1.00 0.00 C ATOM 511 OE1 GLU A 30 -8.925 -3.504 -15.696 1.00 0.00 O ATOM 512 OE2 GLU A 30 -10.885 -2.746 -14.754 1.00 0.00 O ATOM 0 H GLU A 30 -6.020 -2.461 -12.328 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.346 -1.036 -11.268 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.013 -3.697 -12.690 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.555 -3.124 -12.087 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.393 -1.116 -13.563 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.843 -1.676 -14.161 1.00 0.00 H new ATOM 520 N GLU A 31 -7.185 -3.726 -9.693 1.00 0.00 N ATOM 521 CA GLU A 31 -7.037 -4.377 -8.366 1.00 0.00 C ATOM 522 C GLU A 31 -6.707 -3.426 -7.155 1.00 0.00 C ATOM 523 O GLU A 31 -7.107 -3.762 -6.037 1.00 0.00 O ATOM 524 CB GLU A 31 -5.958 -5.474 -8.594 1.00 0.00 C ATOM 525 CG GLU A 31 -5.675 -6.413 -7.390 1.00 0.00 C ATOM 526 CD GLU A 31 -6.872 -7.265 -6.946 1.00 0.00 C ATOM 527 OE1 GLU A 31 -7.248 -8.269 -7.550 1.00 0.00 O ATOM 528 OE2 GLU A 31 -7.466 -6.778 -5.808 1.00 0.00 O ATOM 0 H GLU A 31 -6.595 -4.151 -10.409 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.997 -4.779 -8.042 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.265 -6.086 -9.442 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.025 -4.985 -8.875 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.851 -7.077 -7.650 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.343 -5.809 -6.546 1.00 0.00 H new ATOM 536 N ILE A 32 -6.031 -2.260 -7.348 1.00 0.00 N ATOM 537 CA ILE A 32 -5.844 -1.226 -6.281 1.00 0.00 C ATOM 538 C ILE A 32 -7.222 -0.700 -5.725 1.00 0.00 C ATOM 539 O ILE A 32 -7.316 -0.410 -4.533 1.00 0.00 O ATOM 540 CB ILE A 32 -4.923 -0.012 -6.688 1.00 0.00 C ATOM 541 CG1 ILE A 32 -3.571 -0.343 -7.387 1.00 0.00 C ATOM 542 CG2 ILE A 32 -4.615 0.847 -5.449 1.00 0.00 C ATOM 543 CD1 ILE A 32 -2.501 0.749 -7.521 1.00 0.00 C ATOM 0 H ILE A 32 -5.602 -2.008 -8.238 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.312 -1.755 -5.490 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.516 0.507 -7.441 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -3.121 -1.177 -6.848 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.801 -0.699 -8.391 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.979 1.684 -5.736 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.546 1.227 -5.029 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.102 0.240 -4.704 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.628 0.342 -8.032 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.902 1.583 -8.096 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.211 1.098 -6.530 1.00 0.00 H new ATOM 555 N THR A 33 -8.272 -0.564 -6.563 1.00 0.00 N ATOM 556 CA THR A 33 -9.635 -0.119 -6.135 1.00 0.00 C ATOM 557 C THR A 33 -10.248 -0.905 -4.916 1.00 0.00 C ATOM 558 O THR A 33 -10.889 -0.312 -4.045 1.00 0.00 O ATOM 559 CB THR A 33 -10.526 0.001 -7.421 1.00 0.00 C ATOM 560 OG1 THR A 33 -11.322 1.175 -7.311 1.00 0.00 O ATOM 561 CG2 THR A 33 -11.477 -1.178 -7.693 1.00 0.00 C ATOM 0 H THR A 33 -8.208 -0.758 -7.562 1.00 0.00 H new ATOM 0 HA THR A 33 -9.572 0.869 -5.680 1.00 0.00 H new ATOM 0 HB THR A 33 -9.822 0.021 -8.253 1.00 0.00 H new ATOM 0 HG1 THR A 33 -11.884 1.265 -8.109 1.00 0.00 H new ATOM 0 HG21 THR A 33 -12.042 -0.987 -8.605 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.897 -2.094 -7.810 1.00 0.00 H new ATOM 0 HG23 THR A 33 -12.166 -1.290 -6.856 1.00 0.00 H new ATOM 569 N MET A 34 -9.994 -2.227 -4.872 1.00 0.00 N ATOM 570 CA MET A 34 -10.305 -3.120 -3.728 1.00 0.00 C ATOM 571 C MET A 34 -9.430 -2.834 -2.463 1.00 0.00 C ATOM 572 O MET A 34 -9.956 -2.875 -1.353 1.00 0.00 O ATOM 573 CB MET A 34 -10.081 -4.565 -4.251 1.00 0.00 C ATOM 574 CG MET A 34 -10.890 -5.659 -3.539 1.00 0.00 C ATOM 575 SD MET A 34 -10.323 -5.930 -1.840 1.00 0.00 S ATOM 576 CE MET A 34 -8.768 -6.818 -2.081 1.00 0.00 C ATOM 0 H MET A 34 -9.555 -2.721 -5.649 1.00 0.00 H new ATOM 0 HA MET A 34 -11.329 -2.956 -3.393 1.00 0.00 H new ATOM 0 HB2 MET A 34 -10.325 -4.590 -5.313 1.00 0.00 H new ATOM 0 HB3 MET A 34 -9.021 -4.805 -4.162 1.00 0.00 H new ATOM 0 HG2 MET A 34 -11.944 -5.381 -3.529 1.00 0.00 H new ATOM 0 HG3 MET A 34 -10.811 -6.590 -4.100 1.00 0.00 H new ATOM 0 HE1 MET A 34 -8.394 -7.166 -1.118 1.00 0.00 H new ATOM 0 HE2 MET A 34 -8.935 -7.673 -2.736 1.00 0.00 H new ATOM 0 HE3 MET A 34 -8.035 -6.151 -2.535 1.00 0.00 H new ATOM 586 N ILE A 35 -8.119 -2.554 -2.641 1.00 0.00 N ATOM 587 CA ILE A 35 -7.175 -2.125 -1.553 1.00 0.00 C ATOM 588 C ILE A 35 -7.681 -0.858 -0.799 1.00 0.00 C ATOM 589 O ILE A 35 -7.779 -0.886 0.430 1.00 0.00 O ATOM 590 CB ILE A 35 -5.705 -1.892 -2.080 1.00 0.00 C ATOM 591 CG1 ILE A 35 -5.088 -3.048 -2.906 1.00 0.00 C ATOM 592 CG2 ILE A 35 -4.717 -1.471 -0.962 1.00 0.00 C ATOM 593 CD1 ILE A 35 -4.923 -4.341 -2.121 1.00 0.00 C ATOM 0 H ILE A 35 -7.668 -2.617 -3.554 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.148 -2.955 -0.847 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.844 -1.064 -2.775 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.718 -3.239 -3.775 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.114 -2.735 -3.282 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.725 -1.326 -1.389 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.056 -0.540 -0.509 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.675 -2.251 -0.201 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.485 -5.104 -2.765 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.268 -4.167 -1.267 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.897 -4.679 -1.768 1.00 0.00 H new ATOM 605 N ALA A 36 -7.976 0.229 -1.540 1.00 0.00 N ATOM 606 CA ALA A 36 -8.570 1.467 -0.947 1.00 0.00 C ATOM 607 C ALA A 36 -9.882 1.245 -0.140 1.00 0.00 C ATOM 608 O ALA A 36 -10.037 1.817 0.943 1.00 0.00 O ATOM 609 CB ALA A 36 -8.767 2.544 -2.023 1.00 0.00 C ATOM 0 H ALA A 36 -7.817 0.285 -2.546 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.841 1.808 -0.212 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.200 3.436 -1.570 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.804 2.794 -2.468 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.437 2.168 -2.796 1.00 0.00 H new ATOM 615 N ASP A 37 -10.783 0.383 -0.653 1.00 0.00 N ATOM 616 CA ASP A 37 -12.016 -0.035 0.056 1.00 0.00 C ATOM 617 C ASP A 37 -11.758 -0.879 1.347 1.00 0.00 C ATOM 618 O ASP A 37 -12.378 -0.619 2.380 1.00 0.00 O ATOM 619 CB ASP A 37 -12.913 -0.838 -0.933 1.00 0.00 C ATOM 620 CG ASP A 37 -14.409 -0.891 -0.575 1.00 0.00 C ATOM 621 OD1 ASP A 37 -14.935 -0.239 0.329 1.00 0.00 O ATOM 622 OD2 ASP A 37 -15.094 -1.746 -1.399 1.00 0.00 O ATOM 0 H ASP A 37 -10.679 -0.046 -1.573 1.00 0.00 H new ATOM 0 HA ASP A 37 -12.512 0.875 0.394 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -12.810 -0.401 -1.926 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -12.535 -1.859 -0.993 1.00 0.00 H new ATOM 628 N GLN A 38 -10.852 -1.880 1.260 1.00 0.00 N ATOM 629 CA GLN A 38 -10.418 -2.739 2.400 1.00 0.00 C ATOM 630 C GLN A 38 -9.904 -1.903 3.615 1.00 0.00 C ATOM 631 O GLN A 38 -10.440 -2.064 4.716 1.00 0.00 O ATOM 632 CB GLN A 38 -9.387 -3.765 1.848 1.00 0.00 C ATOM 633 CG GLN A 38 -8.937 -4.851 2.850 1.00 0.00 C ATOM 634 CD GLN A 38 -7.917 -5.826 2.237 1.00 0.00 C ATOM 635 OE1 GLN A 38 -6.751 -5.487 2.032 1.00 0.00 O ATOM 636 NE2 GLN A 38 -8.326 -7.048 1.932 1.00 0.00 N ATOM 0 H GLN A 38 -10.391 -2.122 0.383 1.00 0.00 H new ATOM 0 HA GLN A 38 -11.266 -3.285 2.813 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -9.818 -4.255 0.975 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.506 -3.222 1.506 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -8.499 -4.374 3.726 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.808 -5.409 3.193 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -9.294 -7.320 2.105 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -7.673 -7.717 1.524 1.00 0.00 H new ATOM 645 N LEU A 39 -8.920 -1.001 3.401 1.00 0.00 N ATOM 646 CA LEU A 39 -8.480 -0.028 4.430 1.00 0.00 C ATOM 647 C LEU A 39 -9.329 1.287 4.280 1.00 0.00 C ATOM 648 O LEU A 39 -10.544 1.216 4.062 1.00 0.00 O ATOM 649 CB LEU A 39 -6.918 0.019 4.483 1.00 0.00 C ATOM 650 CG LEU A 39 -6.009 0.335 3.248 1.00 0.00 C ATOM 651 CD1 LEU A 39 -6.254 1.704 2.654 1.00 0.00 C ATOM 652 CD2 LEU A 39 -4.530 0.204 3.647 1.00 0.00 C ATOM 0 H LEU A 39 -8.412 -0.926 2.520 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.701 -0.314 5.458 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.661 0.754 5.246 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.597 -0.953 4.856 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.267 -0.392 2.478 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.590 1.855 1.803 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.290 1.777 2.324 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.058 2.468 3.407 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.900 0.424 2.785 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.306 0.907 4.450 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.334 -0.812 3.989 1.00 0.00 H new ATOM 664 N ASN A 40 -8.730 2.474 4.459 1.00 0.00 N ATOM 665 CA ASN A 40 -9.417 3.781 4.263 1.00 0.00 C ATOM 666 C ASN A 40 -8.410 4.778 3.620 1.00 0.00 C ATOM 667 O ASN A 40 -7.975 5.739 4.260 1.00 0.00 O ATOM 668 CB ASN A 40 -10.016 4.264 5.615 1.00 0.00 C ATOM 669 CG ASN A 40 -10.897 5.511 5.542 1.00 0.00 C ATOM 670 OD1 ASN A 40 -11.691 5.730 4.627 1.00 0.00 O ATOM 671 ND2 ASN A 40 -10.839 6.284 6.604 1.00 0.00 N ATOM 0 H ASN A 40 -7.755 2.566 4.744 1.00 0.00 H new ATOM 0 HA ASN A 40 -10.260 3.695 3.578 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -10.603 3.451 6.042 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -9.196 4.461 6.305 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -11.462 7.088 6.684 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -10.172 6.080 7.348 1.00 0.00 H new ATOM 678 N MET A 41 -8.045 4.539 2.347 1.00 0.00 N ATOM 679 CA MET A 41 -7.085 5.416 1.601 1.00 0.00 C ATOM 680 C MET A 41 -7.866 6.138 0.457 1.00 0.00 C ATOM 681 O MET A 41 -8.679 5.478 -0.201 1.00 0.00 O ATOM 682 CB MET A 41 -6.009 4.600 0.802 1.00 0.00 C ATOM 683 CG MET A 41 -4.557 4.554 1.288 1.00 0.00 C ATOM 684 SD MET A 41 -3.918 6.166 1.796 1.00 0.00 S ATOM 685 CE MET A 41 -2.230 5.679 2.170 1.00 0.00 C ATOM 0 H MET A 41 -8.393 3.750 1.802 1.00 0.00 H new ATOM 0 HA MET A 41 -6.628 6.063 2.350 1.00 0.00 H new ATOM 0 HB2 MET A 41 -6.363 3.571 0.743 1.00 0.00 H new ATOM 0 HB3 MET A 41 -5.997 4.991 -0.215 1.00 0.00 H new ATOM 0 HG2 MET A 41 -4.484 3.862 2.127 1.00 0.00 H new ATOM 0 HG3 MET A 41 -3.928 4.157 0.492 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.761 6.441 2.793 1.00 0.00 H new ATOM 0 HE2 MET A 41 -2.235 4.728 2.702 1.00 0.00 H new ATOM 0 HE3 MET A 41 -1.668 5.573 1.242 1.00 0.00 H new ATOM 695 N GLU A 42 -7.566 7.418 0.120 1.00 0.00 N ATOM 696 CA GLU A 42 -8.002 7.980 -1.203 1.00 0.00 C ATOM 697 C GLU A 42 -6.941 7.483 -2.226 1.00 0.00 C ATOM 698 O GLU A 42 -5.787 7.902 -2.174 1.00 0.00 O ATOM 699 CB GLU A 42 -8.303 9.479 -1.371 1.00 0.00 C ATOM 700 CG GLU A 42 -9.071 10.158 -0.217 1.00 0.00 C ATOM 701 CD GLU A 42 -9.388 11.630 -0.489 1.00 0.00 C ATOM 702 OE1 GLU A 42 -10.267 12.000 -1.267 1.00 0.00 O ATOM 703 OE2 GLU A 42 -8.589 12.479 0.235 1.00 0.00 O ATOM 0 H GLU A 42 -7.046 8.065 0.712 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.017 7.613 -1.352 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.358 10.004 -1.508 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.877 9.612 -2.288 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.002 9.619 -0.042 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.482 10.083 0.697 1.00 0.00 H new ATOM 711 N LYS A 43 -7.384 6.651 -3.166 1.00 0.00 N ATOM 712 CA LYS A 43 -6.507 5.808 -4.051 1.00 0.00 C ATOM 713 C LYS A 43 -5.328 6.357 -4.878 1.00 0.00 C ATOM 714 O LYS A 43 -4.405 5.601 -5.204 1.00 0.00 O ATOM 715 CB LYS A 43 -7.368 4.982 -5.013 1.00 0.00 C ATOM 716 CG LYS A 43 -6.803 3.547 -5.203 1.00 0.00 C ATOM 717 CD LYS A 43 -7.365 2.903 -6.483 1.00 0.00 C ATOM 718 CE LYS A 43 -6.746 3.418 -7.797 1.00 0.00 C ATOM 719 NZ LYS A 43 -7.311 2.708 -8.958 1.00 0.00 N ATOM 0 H LYS A 43 -8.378 6.524 -3.356 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.981 5.285 -3.253 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -8.387 4.924 -4.631 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.418 5.484 -5.979 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.715 3.584 -5.257 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.059 2.933 -4.339 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.214 1.825 -6.426 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.441 3.073 -6.515 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.930 4.488 -7.895 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.665 3.281 -7.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.482 3.385 -9.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.642 1.979 -9.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.209 2.258 -8.687 1.00 0.00 H new ATOM 732 N GLU A 44 -5.346 7.648 -5.184 1.00 0.00 N ATOM 733 CA GLU A 44 -4.168 8.345 -5.815 1.00 0.00 C ATOM 734 C GLU A 44 -2.764 8.080 -5.142 1.00 0.00 C ATOM 735 O GLU A 44 -1.745 8.101 -5.827 1.00 0.00 O ATOM 736 CB GLU A 44 -4.429 9.873 -5.744 1.00 0.00 C ATOM 737 CG GLU A 44 -5.586 10.373 -6.627 1.00 0.00 C ATOM 738 CD GLU A 44 -5.762 11.891 -6.574 1.00 0.00 C ATOM 739 OE1 GLU A 44 -5.295 12.657 -7.416 1.00 0.00 O ATOM 740 OE2 GLU A 44 -6.493 12.291 -5.484 1.00 0.00 O ATOM 0 H GLU A 44 -6.148 8.256 -5.017 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.099 7.943 -6.826 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.638 10.144 -4.709 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.518 10.397 -6.033 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.407 10.069 -7.658 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.512 9.894 -6.310 1.00 0.00 H new ATOM 748 N VAL A 45 -2.824 7.823 -3.829 1.00 0.00 N ATOM 749 CA VAL A 45 -1.747 7.405 -2.886 1.00 0.00 C ATOM 750 C VAL A 45 -1.254 5.930 -2.978 1.00 0.00 C ATOM 751 O VAL A 45 -0.077 5.717 -2.717 1.00 0.00 O ATOM 752 CB VAL A 45 -2.249 7.594 -1.415 1.00 0.00 C ATOM 753 CG1 VAL A 45 -2.696 8.999 -1.038 1.00 0.00 C ATOM 754 CG2 VAL A 45 -3.415 6.666 -1.036 1.00 0.00 C ATOM 0 H VAL A 45 -3.714 7.908 -3.338 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.906 8.037 -3.173 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.342 7.347 -0.863 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.022 9.010 0.002 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.864 9.692 -1.165 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.522 9.303 -1.681 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.709 6.854 -0.003 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.262 6.858 -1.695 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.102 5.627 -1.141 1.00 0.00 H new ATOM 764 N ILE A 46 -2.119 4.920 -3.214 1.00 0.00 N ATOM 765 CA ILE A 46 -1.676 3.489 -3.221 1.00 0.00 C ATOM 766 C ILE A 46 -0.722 3.217 -4.425 1.00 0.00 C ATOM 767 O ILE A 46 0.361 2.702 -4.151 1.00 0.00 O ATOM 768 CB ILE A 46 -2.701 2.336 -3.012 1.00 0.00 C ATOM 769 CG1 ILE A 46 -3.596 2.412 -1.762 1.00 0.00 C ATOM 770 CG2 ILE A 46 -1.982 0.963 -2.891 1.00 0.00 C ATOM 771 CD1 ILE A 46 -4.837 3.220 -2.016 1.00 0.00 C ATOM 0 H ILE A 46 -3.113 5.054 -3.400 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.158 3.428 -2.264 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.331 2.445 -3.895 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.875 1.405 -1.452 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.035 2.855 -0.939 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.722 0.176 -2.746 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.418 0.766 -3.802 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.301 0.982 -2.040 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.443 3.251 -1.110 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.559 4.235 -2.301 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.411 2.762 -2.821 1.00 0.00 H new ATOM 783 N ARG A 47 -1.061 3.549 -5.700 1.00 0.00 N ATOM 784 CA ARG A 47 -0.095 3.422 -6.835 1.00 0.00 C ATOM 785 C ARG A 47 1.274 4.140 -6.557 1.00 0.00 C ATOM 786 O ARG A 47 2.311 3.518 -6.772 1.00 0.00 O ATOM 787 CB ARG A 47 -0.768 3.917 -8.151 1.00 0.00 C ATOM 788 CG ARG A 47 -0.275 3.273 -9.469 1.00 0.00 C ATOM 789 CD ARG A 47 1.120 3.713 -9.951 1.00 0.00 C ATOM 790 NE ARG A 47 1.466 3.085 -11.248 1.00 0.00 N ATOM 791 CZ ARG A 47 2.685 3.138 -11.820 1.00 0.00 C ATOM 792 NH1 ARG A 47 3.731 3.771 -11.290 1.00 0.00 N ATOM 793 NH2 ARG A 47 2.855 2.525 -12.977 1.00 0.00 N ATOM 0 H ARG A 47 -1.980 3.901 -5.969 1.00 0.00 H new ATOM 0 HA ARG A 47 0.158 2.368 -6.947 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.841 3.746 -8.069 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.622 4.995 -8.223 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.270 2.190 -9.342 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.997 3.499 -10.254 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.147 4.798 -10.052 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.867 3.444 -9.204 1.00 0.00 H new ATOM 0 HE ARG A 47 0.731 2.578 -11.741 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.635 4.255 -10.397 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.627 3.772 -11.777 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.076 2.030 -13.411 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.765 2.546 -13.436 1.00 0.00 H new ATOM 806 N VAL A 48 1.271 5.380 -6.025 1.00 0.00 N ATOM 807 CA VAL A 48 2.483 6.133 -5.586 1.00 0.00 C ATOM 808 C VAL A 48 3.233 5.522 -4.353 1.00 0.00 C ATOM 809 O VAL A 48 4.463 5.475 -4.389 1.00 0.00 O ATOM 810 CB VAL A 48 2.133 7.648 -5.447 1.00 0.00 C ATOM 811 CG1 VAL A 48 1.937 8.328 -6.818 1.00 0.00 C ATOM 812 CG2 VAL A 48 0.998 7.985 -4.531 1.00 0.00 C ATOM 0 H VAL A 48 0.409 5.906 -5.882 1.00 0.00 H new ATOM 0 HA VAL A 48 3.234 6.030 -6.369 1.00 0.00 H new ATOM 0 HB VAL A 48 3.018 8.056 -4.958 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.695 9.381 -6.671 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.855 8.244 -7.400 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.122 7.840 -7.353 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.850 9.065 -4.517 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.089 7.499 -4.884 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.228 7.637 -3.524 1.00 0.00 H new ATOM 822 N TRP A 49 2.536 5.051 -3.290 1.00 0.00 N ATOM 823 CA TRP A 49 3.153 4.272 -2.168 1.00 0.00 C ATOM 824 C TRP A 49 3.829 2.959 -2.680 1.00 0.00 C ATOM 825 O TRP A 49 4.956 2.671 -2.282 1.00 0.00 O ATOM 826 CB TRP A 49 2.111 3.934 -1.054 1.00 0.00 C ATOM 827 CG TRP A 49 2.746 3.432 0.260 1.00 0.00 C ATOM 828 CD1 TRP A 49 3.461 4.235 1.172 1.00 0.00 C ATOM 829 CD2 TRP A 49 3.049 2.124 0.610 1.00 0.00 C ATOM 830 NE1 TRP A 49 4.206 3.462 2.083 1.00 0.00 N ATOM 831 CE2 TRP A 49 3.965 2.155 1.694 1.00 0.00 C ATOM 832 CE3 TRP A 49 2.779 0.907 -0.060 1.00 0.00 C ATOM 833 CZ2 TRP A 49 4.665 0.975 2.059 1.00 0.00 C ATOM 834 CZ3 TRP A 49 3.553 -0.208 0.265 1.00 0.00 C ATOM 835 CH2 TRP A 49 4.488 -0.174 1.287 1.00 0.00 C ATOM 0 H TRP A 49 1.532 5.196 -3.179 1.00 0.00 H new ATOM 0 HA TRP A 49 3.923 4.911 -1.735 1.00 0.00 H new ATOM 0 HB2 TRP A 49 1.517 4.823 -0.843 1.00 0.00 H new ATOM 0 HB3 TRP A 49 1.425 3.174 -1.429 1.00 0.00 H new ATOM 0 HD1 TRP A 49 3.440 5.315 1.172 1.00 0.00 H new ATOM 0 HE1 TRP A 49 4.789 3.790 2.853 1.00 0.00 H new ATOM 0 HE3 TRP A 49 1.996 0.843 -0.802 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 5.321 0.967 2.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 3.420 -1.122 -0.295 1.00 0.00 H new ATOM 0 HH2 TRP A 49 5.088 -1.049 1.489 1.00 0.00 H new ATOM 846 N PHE A 50 3.132 2.176 -3.532 1.00 0.00 N ATOM 847 CA PHE A 50 3.689 0.994 -4.225 1.00 0.00 C ATOM 848 C PHE A 50 4.887 1.333 -5.187 1.00 0.00 C ATOM 849 O PHE A 50 5.828 0.544 -5.264 1.00 0.00 O ATOM 850 CB PHE A 50 2.507 0.284 -4.957 1.00 0.00 C ATOM 851 CG PHE A 50 1.558 -0.683 -4.193 1.00 0.00 C ATOM 852 CD1 PHE A 50 1.960 -1.413 -3.075 1.00 0.00 C ATOM 853 CD2 PHE A 50 0.323 -0.980 -4.765 1.00 0.00 C ATOM 854 CE1 PHE A 50 1.234 -2.513 -2.640 1.00 0.00 C ATOM 855 CE2 PHE A 50 -0.446 -2.049 -4.301 1.00 0.00 C ATOM 856 CZ PHE A 50 0.044 -2.862 -3.272 1.00 0.00 C ATOM 0 H PHE A 50 2.153 2.350 -3.761 1.00 0.00 H new ATOM 0 HA PHE A 50 4.135 0.323 -3.491 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.884 1.066 -5.391 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.936 -0.279 -5.786 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.850 -1.118 -2.539 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.045 -0.374 -5.580 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.594 -3.100 -1.808 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.415 -2.248 -4.734 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.495 -3.749 -2.972 1.00 0.00 H new ATOM 866 N CYS A 51 4.861 2.490 -5.889 1.00 0.00 N ATOM 867 CA CYS A 51 6.004 3.031 -6.689 1.00 0.00 C ATOM 868 C CYS A 51 7.275 3.425 -5.870 1.00 0.00 C ATOM 869 O CYS A 51 8.404 3.297 -6.352 1.00 0.00 O ATOM 870 CB CYS A 51 5.526 4.288 -7.452 1.00 0.00 C ATOM 871 SG CYS A 51 6.508 4.491 -8.973 1.00 0.00 S ATOM 0 H CYS A 51 4.036 3.089 -5.921 1.00 0.00 H new ATOM 0 HA CYS A 51 6.305 2.214 -7.345 1.00 0.00 H new ATOM 0 HB2 CYS A 51 4.469 4.195 -7.700 1.00 0.00 H new ATOM 0 HB3 CYS A 51 5.629 5.170 -6.820 1.00 0.00 H new ATOM 0 HG CYS A 51 6.103 5.547 -9.613 1.00 0.00 H new ATOM 877 N ASN A 52 7.056 3.896 -4.632 1.00 0.00 N ATOM 878 CA ASN A 52 8.122 4.279 -3.676 1.00 0.00 C ATOM 879 C ASN A 52 8.662 3.016 -2.935 1.00 0.00 C ATOM 880 O ASN A 52 9.883 2.838 -2.914 1.00 0.00 O ATOM 881 CB ASN A 52 7.543 5.371 -2.731 1.00 0.00 C ATOM 882 CG ASN A 52 8.611 6.153 -1.946 1.00 0.00 C ATOM 883 OD1 ASN A 52 9.183 5.664 -0.972 1.00 0.00 O ATOM 884 ND2 ASN A 52 8.886 7.384 -2.351 1.00 0.00 N ATOM 0 H ASN A 52 6.117 4.026 -4.255 1.00 0.00 H new ATOM 0 HA ASN A 52 8.988 4.704 -4.184 1.00 0.00 H new ATOM 0 HB2 ASN A 52 6.955 6.073 -3.322 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.860 4.900 -2.024 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.581 7.941 -1.854 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.403 7.775 -3.160 1.00 0.00 H new ATOM 891 N ARG A 53 7.805 2.124 -2.378 1.00 0.00 N ATOM 892 CA ARG A 53 8.242 0.861 -1.762 1.00 0.00 C ATOM 893 C ARG A 53 8.775 -0.236 -2.738 1.00 0.00 C ATOM 894 O ARG A 53 9.478 -1.110 -2.237 1.00 0.00 O ATOM 895 CB ARG A 53 7.094 0.425 -0.818 1.00 0.00 C ATOM 896 CG ARG A 53 7.593 -0.325 0.431 1.00 0.00 C ATOM 897 CD ARG A 53 7.611 -1.826 0.295 1.00 0.00 C ATOM 898 NE ARG A 53 7.996 -2.548 1.529 1.00 0.00 N ATOM 899 CZ ARG A 53 7.295 -3.549 2.071 1.00 0.00 C ATOM 900 NH1 ARG A 53 6.131 -3.956 1.610 1.00 0.00 N ATOM 901 NH2 ARG A 53 7.772 -4.163 3.128 1.00 0.00 N ATOM 0 H ARG A 53 6.795 2.266 -2.347 1.00 0.00 H new ATOM 0 HA ARG A 53 9.157 1.026 -1.192 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.533 1.306 -0.506 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.403 -0.215 -1.367 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.601 0.018 0.666 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.960 -0.057 1.277 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.621 -2.162 -0.014 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.304 -2.098 -0.502 1.00 0.00 H new ATOM 0 HE ARG A 53 8.855 -2.262 1.998 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.717 -3.501 0.796 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.643 -4.726 2.067 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.666 -3.875 3.525 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.249 -4.929 3.553 1.00 0.00 H new ATOM 914 N ARG A 54 8.543 -0.213 -4.079 1.00 0.00 N ATOM 915 CA ARG A 54 9.103 -1.242 -5.029 1.00 0.00 C ATOM 916 C ARG A 54 10.657 -1.461 -5.092 1.00 0.00 C ATOM 917 O ARG A 54 11.114 -2.408 -5.738 1.00 0.00 O ATOM 918 CB ARG A 54 8.416 -1.207 -6.420 1.00 0.00 C ATOM 919 CG ARG A 54 8.760 -0.034 -7.361 1.00 0.00 C ATOM 920 CD ARG A 54 8.135 -0.141 -8.770 1.00 0.00 C ATOM 921 NE ARG A 54 6.658 0.033 -8.777 1.00 0.00 N ATOM 922 CZ ARG A 54 5.749 -0.936 -8.999 1.00 0.00 C ATOM 923 NH1 ARG A 54 6.057 -2.200 -9.274 1.00 0.00 N ATOM 924 NH2 ARG A 54 4.471 -0.609 -8.938 1.00 0.00 N ATOM 0 H ARG A 54 7.975 0.501 -4.535 1.00 0.00 H new ATOM 0 HA ARG A 54 8.816 -2.166 -4.528 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.660 -2.135 -6.938 1.00 0.00 H new ATOM 0 HB3 ARG A 54 7.338 -1.204 -6.261 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.428 0.896 -6.899 1.00 0.00 H new ATOM 0 HG3 ARG A 54 9.844 0.029 -7.461 1.00 0.00 H new ATOM 0 HD2 ARG A 54 8.585 0.612 -9.417 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.381 -1.114 -9.195 1.00 0.00 H new ATOM 0 HE ARG A 54 6.301 0.971 -8.597 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.034 -2.487 -9.327 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.316 -2.883 -9.431 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.200 0.352 -8.728 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.755 -1.317 -9.101 1.00 0.00 H new ATOM 937 N GLN A 55 11.447 -0.645 -4.370 1.00 0.00 N ATOM 938 CA GLN A 55 12.900 -0.866 -4.161 1.00 0.00 C ATOM 939 C GLN A 55 13.165 -1.853 -2.963 1.00 0.00 C ATOM 940 O GLN A 55 14.168 -2.567 -3.018 1.00 0.00 O ATOM 941 CB GLN A 55 13.626 0.491 -3.932 1.00 0.00 C ATOM 942 CG GLN A 55 13.692 1.470 -5.133 1.00 0.00 C ATOM 943 CD GLN A 55 12.445 2.352 -5.351 1.00 0.00 C ATOM 944 OE1 GLN A 55 11.509 1.984 -6.061 1.00 0.00 O ATOM 945 NE2 GLN A 55 12.411 3.537 -4.758 1.00 0.00 N ATOM 0 H GLN A 55 11.097 0.195 -3.909 1.00 0.00 H new ATOM 0 HA GLN A 55 13.304 -1.329 -5.062 1.00 0.00 H new ATOM 0 HB2 GLN A 55 13.133 1.003 -3.105 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.646 0.279 -3.612 1.00 0.00 H new ATOM 0 HG2 GLN A 55 14.555 2.122 -4.999 1.00 0.00 H new ATOM 0 HG3 GLN A 55 13.867 0.891 -6.040 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.190 3.836 -4.171 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.606 4.150 -4.889 1.00 0.00 H new ATOM 954 N LYS A 56 12.298 -1.939 -1.916 1.00 0.00 N ATOM 955 CA LYS A 56 12.435 -2.918 -0.789 1.00 0.00 C ATOM 956 C LYS A 56 12.192 -4.445 -1.026 1.00 0.00 C ATOM 957 O LYS A 56 12.381 -5.275 -0.132 1.00 0.00 O ATOM 958 CB LYS A 56 11.493 -2.418 0.335 1.00 0.00 C ATOM 959 CG LYS A 56 12.215 -1.617 1.433 1.00 0.00 C ATOM 960 CD LYS A 56 11.262 -0.982 2.465 1.00 0.00 C ATOM 961 CE LYS A 56 11.967 -0.230 3.611 1.00 0.00 C ATOM 962 NZ LYS A 56 12.622 1.019 3.177 1.00 0.00 N ATOM 0 H LYS A 56 11.482 -1.333 -1.825 1.00 0.00 H new ATOM 0 HA LYS A 56 13.502 -2.917 -0.567 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.715 -1.795 -0.105 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.996 -3.275 0.789 1.00 0.00 H new ATOM 0 HG2 LYS A 56 12.912 -2.275 1.952 1.00 0.00 H new ATOM 0 HG3 LYS A 56 12.807 -0.830 0.966 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.597 -0.290 1.948 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.636 -1.765 2.893 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.237 0.002 4.387 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.713 -0.885 4.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.076 1.475 3.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 13.341 0.802 2.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 11.911 1.662 2.773 1.00 0.00 H new ATOM 975 N GLU A 57 11.817 -4.760 -2.256 1.00 0.00 N ATOM 976 CA GLU A 57 11.608 -6.137 -2.794 1.00 0.00 C ATOM 977 C GLU A 57 12.815 -7.100 -2.550 1.00 0.00 C ATOM 978 O GLU A 57 12.612 -8.229 -2.098 1.00 0.00 O ATOM 979 CB GLU A 57 11.325 -6.077 -4.326 1.00 0.00 C ATOM 980 CG GLU A 57 9.895 -5.678 -4.726 1.00 0.00 C ATOM 981 CD GLU A 57 9.634 -5.830 -6.229 1.00 0.00 C ATOM 982 OE1 GLU A 57 9.448 -6.916 -6.776 1.00 0.00 O ATOM 983 OE2 GLU A 57 9.609 -4.625 -6.882 1.00 0.00 O ATOM 0 H GLU A 57 11.636 -4.042 -2.958 1.00 0.00 H new ATOM 0 HA GLU A 57 10.754 -6.540 -2.249 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.020 -5.369 -4.777 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.543 -7.055 -4.755 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.184 -6.293 -4.174 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.716 -4.643 -4.434 1.00 0.00 H new ATOM 991 N LYS A 58 14.040 -6.645 -2.875 1.00 0.00 N ATOM 992 CA LYS A 58 15.294 -7.395 -2.593 1.00 0.00 C ATOM 993 C LYS A 58 16.439 -6.378 -2.282 1.00 0.00 C ATOM 994 O LYS A 58 17.441 -6.321 -3.004 1.00 0.00 O ATOM 995 CB LYS A 58 15.583 -8.400 -3.748 1.00 0.00 C ATOM 996 CG LYS A 58 16.653 -9.468 -3.420 1.00 0.00 C ATOM 997 CD LYS A 58 16.927 -10.482 -4.550 1.00 0.00 C ATOM 998 CE LYS A 58 15.791 -11.497 -4.792 1.00 0.00 C ATOM 999 NZ LYS A 58 16.147 -12.461 -5.849 1.00 0.00 N ATOM 0 H LYS A 58 14.196 -5.750 -3.339 1.00 0.00 H new ATOM 0 HA LYS A 58 15.202 -8.016 -1.702 1.00 0.00 H new ATOM 0 HB2 LYS A 58 14.654 -8.905 -4.014 1.00 0.00 H new ATOM 0 HB3 LYS A 58 15.904 -7.841 -4.627 1.00 0.00 H new ATOM 0 HG2 LYS A 58 17.586 -8.962 -3.172 1.00 0.00 H new ATOM 0 HG3 LYS A 58 16.340 -10.014 -2.530 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.110 -9.935 -5.475 1.00 0.00 H new ATOM 0 HD3 LYS A 58 17.841 -11.028 -4.316 1.00 0.00 H new ATOM 0 HE2 LYS A 58 15.576 -12.032 -3.867 1.00 0.00 H new ATOM 0 HE3 LYS A 58 14.881 -10.967 -5.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 15.363 -13.130 -5.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 16.328 -11.951 -6.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 17.002 -12.983 -5.569 1.00 0.00 H new ATOM 1012 N ARG A 59 16.290 -5.582 -1.198 1.00 0.00 N ATOM 1013 CA ARG A 59 17.299 -4.566 -0.780 1.00 0.00 C ATOM 1014 C ARG A 59 17.339 -4.426 0.769 1.00 0.00 C ATOM 1015 O ARG A 59 18.327 -4.836 1.387 1.00 0.00 O ATOM 1016 CB ARG A 59 17.154 -3.176 -1.477 1.00 0.00 C ATOM 1017 CG ARG A 59 17.363 -3.137 -3.006 1.00 0.00 C ATOM 1018 CD ARG A 59 17.356 -1.702 -3.566 1.00 0.00 C ATOM 1019 NE ARG A 59 17.316 -1.708 -5.048 1.00 0.00 N ATOM 1020 CZ ARG A 59 17.300 -0.602 -5.816 1.00 0.00 C ATOM 1021 NH1 ARG A 59 17.342 0.640 -5.334 1.00 0.00 N ATOM 1022 NH2 ARG A 59 17.240 -0.757 -7.125 1.00 0.00 N ATOM 0 H ARG A 59 15.474 -5.621 -0.588 1.00 0.00 H new ATOM 0 HA ARG A 59 18.258 -4.951 -1.127 1.00 0.00 H new ATOM 0 HB2 ARG A 59 16.158 -2.790 -1.261 1.00 0.00 H new ATOM 0 HB3 ARG A 59 17.868 -2.491 -1.019 1.00 0.00 H new ATOM 0 HG2 ARG A 59 18.311 -3.615 -3.252 1.00 0.00 H new ATOM 0 HG3 ARG A 59 16.578 -3.717 -3.492 1.00 0.00 H new ATOM 0 HD2 ARG A 59 16.493 -1.161 -3.178 1.00 0.00 H new ATOM 0 HD3 ARG A 59 18.245 -1.171 -3.225 1.00 0.00 H new ATOM 0 HE ARG A 59 17.299 -2.613 -5.519 1.00 0.00 H new ATOM 0 HH11 ARG A 59 17.389 0.795 -4.327 1.00 0.00 H new ATOM 0 HH12 ARG A 59 17.327 1.436 -5.972 1.00 0.00 H new ATOM 0 HH21 ARG A 59 17.207 -1.694 -7.527 1.00 0.00 H new ATOM 0 HH22 ARG A 59 17.226 0.060 -7.735 1.00 0.00 H new ATOM 1035 N ILE A 60 16.287 -3.844 1.382 1.00 0.00 N ATOM 1036 CA ILE A 60 16.245 -3.537 2.843 1.00 0.00 C ATOM 1037 C ILE A 60 15.356 -4.587 3.567 1.00 0.00 C ATOM 1038 O ILE A 60 15.867 -5.538 4.165 1.00 0.00 O ATOM 1039 CB ILE A 60 15.964 -2.005 3.113 1.00 0.00 C ATOM 1040 CG1 ILE A 60 16.993 -1.046 2.432 1.00 0.00 C ATOM 1041 CG2 ILE A 60 15.895 -1.683 4.631 1.00 0.00 C ATOM 1042 CD1 ILE A 60 16.570 0.430 2.342 1.00 0.00 C ATOM 0 H ILE A 60 15.439 -3.570 0.886 1.00 0.00 H new ATOM 0 HA ILE A 60 17.224 -3.657 3.307 1.00 0.00 H new ATOM 0 HB ILE A 60 14.991 -1.823 2.657 1.00 0.00 H new ATOM 0 HG12 ILE A 60 17.933 -1.103 2.981 1.00 0.00 H new ATOM 0 HG13 ILE A 60 17.190 -1.411 1.424 1.00 0.00 H new ATOM 0 HG21 ILE A 60 15.700 -0.619 4.769 1.00 0.00 H new ATOM 0 HG22 ILE A 60 15.093 -2.261 5.089 1.00 0.00 H new ATOM 0 HG23 ILE A 60 16.844 -1.942 5.101 1.00 0.00 H new ATOM 0 HD11 ILE A 60 17.356 1.005 1.853 1.00 0.00 H new ATOM 0 HD12 ILE A 60 15.649 0.510 1.764 1.00 0.00 H new ATOM 0 HD13 ILE A 60 16.404 0.823 3.345 1.00 0.00 H new ATOM 1054 N ASP A 61 14.039 -4.384 3.491 1.00 0.00 N ATOM 1055 CA ASP A 61 13.029 -5.232 4.185 1.00 0.00 C ATOM 1056 C ASP A 61 12.599 -6.425 3.287 1.00 0.00 C ATOM 1057 O ASP A 61 11.663 -6.315 2.489 1.00 0.00 O ATOM 1058 CB ASP A 61 11.801 -4.387 4.629 1.00 0.00 C ATOM 1059 CG ASP A 61 12.018 -3.353 5.747 1.00 0.00 C ATOM 1060 OD1 ASP A 61 13.021 -3.299 6.460 1.00 0.00 O ATOM 1061 OD2 ASP A 61 10.949 -2.503 5.863 1.00 0.00 O ATOM 0 H ASP A 61 13.626 -3.626 2.947 1.00 0.00 H new ATOM 0 HA ASP A 61 13.490 -5.641 5.084 1.00 0.00 H new ATOM 0 HB2 ASP A 61 11.420 -3.861 3.754 1.00 0.00 H new ATOM 0 HB3 ASP A 61 11.019 -5.074 4.953 1.00 0.00 H new ATOM 1067 N ILE A 62 13.310 -7.561 3.449 1.00 0.00 N ATOM 1068 CA ILE A 62 13.067 -8.845 2.726 1.00 0.00 C ATOM 1069 C ILE A 62 13.010 -8.726 1.178 1.00 0.00 C ATOM 1070 O ILE A 62 14.015 -8.792 0.469 1.00 0.00 O ATOM 1071 CB ILE A 62 12.023 -9.813 3.398 1.00 0.00 C ATOM 1072 CG1 ILE A 62 10.592 -9.224 3.598 1.00 0.00 C ATOM 1073 CG2 ILE A 62 12.578 -10.393 4.726 1.00 0.00 C ATOM 1074 CD1 ILE A 62 9.494 -10.250 3.922 1.00 0.00 C ATOM 1075 OXT ILE A 62 11.742 -8.532 0.690 1.00 0.00 O ATOM 0 H ILE A 62 14.092 -7.621 4.102 1.00 0.00 H new ATOM 0 HA ILE A 62 13.994 -9.400 2.873 1.00 0.00 H new ATOM 0 HB ILE A 62 11.888 -10.617 2.674 1.00 0.00 H new ATOM 0 HG12 ILE A 62 10.629 -8.491 4.404 1.00 0.00 H new ATOM 0 HG13 ILE A 62 10.309 -8.688 2.692 1.00 0.00 H new ATOM 0 HG21 ILE A 62 11.838 -11.058 5.170 1.00 0.00 H new ATOM 0 HG22 ILE A 62 13.493 -10.951 4.525 1.00 0.00 H new ATOM 0 HG23 ILE A 62 12.794 -9.578 5.417 1.00 0.00 H new ATOM 0 HD11 ILE A 62 8.540 -9.736 4.041 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.418 -10.971 3.108 1.00 0.00 H new ATOM 0 HD13 ILE A 62 9.744 -10.771 4.846 1.00 0.00 H new TER 1088 ILE A 62