USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 822 hydrogens (10 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 NoAdj-H: B 39 HIS HD1 : B 39 HIS ND1 : B 50 ZNZN :(H bumps) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.097) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 1.08 K(o=1.1,f=-0.83) USER MOD Single : A 17 TYR OH : rot -170:sc= 1 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.106 USER MOD Single : A 25 HIS : no HD1:sc=-0.000693 X(o=-0.00069,f=-0.0064) USER MOD Single : A 26 ASN : amide:sc= -0.0133 K(o=-0.013,f=-2.8!) USER MOD Single : A 31 LYS NZ :NH3+ 168:sc= 1.98 (180deg=1.84) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : +bothHN:sc= -0.055 K(o=-0.055,f=-6!) USER MOD Single : A 45 THR OG1 : rot 79:sc= 0.116 USER MOD Single : B 2 TYR OH : rot 180:sc= 0 USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 GLN : amide:sc= -0.0678 K(o=-0.068,f=-0.94) USER MOD Single : B 17 TYR OH : rot -166:sc= 0.86 USER MOD Single : B 23 TYR OH : rot 180:sc= 0 USER MOD Single : B 24 THR OG1 : rot -69:sc= 0.673 USER MOD Single : B 25 HIS : no HD1:sc= 0.189 K(o=0.19,f=-0.98) USER MOD Single : B 26 ASN : amide:sc= 0.54 K(o=0.54,f=-1.8) USER MOD Single : B 31 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0372) USER MOD Single : B 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 45 THR OG1 : rot 73:sc= 1.22 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 0 2.354 13.161 -12.304 1.00 0.00 C HETATM 2 O ACE A 0 2.453 13.233 -13.525 1.00 0.00 O HETATM 3 CH3 ACE A 0 1.578 14.209 -11.538 1.00 0.00 C HETATM 0 H1 ACE A 0 0.756 13.734 -11.002 1.00 0.00 H new HETATM 0 H2 ACE A 0 2.239 14.702 -10.825 1.00 0.00 H new HETATM 0 H3 ACE A 0 1.179 14.947 -12.234 1.00 0.00 H new ATOM 7 N ASP A 1 2.895 12.187 -11.574 1.00 0.00 N ATOM 8 CA ASP A 1 3.746 11.107 -12.116 1.00 0.00 C ATOM 9 C ASP A 1 3.485 9.728 -11.488 1.00 0.00 C ATOM 10 O ASP A 1 3.683 8.694 -12.129 1.00 0.00 O ATOM 11 CB ASP A 1 5.213 11.494 -11.899 1.00 0.00 C ATOM 12 CG ASP A 1 6.187 10.549 -12.626 1.00 0.00 C ATOM 13 OD1 ASP A 1 6.072 10.392 -13.866 1.00 0.00 O ATOM 14 OD2 ASP A 1 7.091 9.986 -11.965 1.00 0.00 O ATOM 0 H ASP A 1 2.756 12.117 -10.566 1.00 0.00 H new ATOM 0 HA ASP A 1 3.502 11.007 -13.174 1.00 0.00 H new ATOM 0 HB2 ASP A 1 5.372 12.514 -12.250 1.00 0.00 H new ATOM 0 HB3 ASP A 1 5.433 11.486 -10.832 1.00 0.00 H new ATOM 19 N TYR A 2 2.984 9.713 -10.250 1.00 0.00 N ATOM 20 CA TYR A 2 2.671 8.499 -9.475 1.00 0.00 C ATOM 21 C TYR A 2 1.796 7.501 -10.240 1.00 0.00 C ATOM 22 O TYR A 2 1.982 6.294 -10.146 1.00 0.00 O ATOM 23 CB TYR A 2 1.931 8.867 -8.177 1.00 0.00 C ATOM 24 CG TYR A 2 2.322 10.177 -7.522 1.00 0.00 C ATOM 25 CD1 TYR A 2 3.596 10.329 -6.945 1.00 0.00 C ATOM 26 CD2 TYR A 2 1.404 11.245 -7.500 1.00 0.00 C ATOM 27 CE1 TYR A 2 3.952 11.550 -6.340 1.00 0.00 C ATOM 28 CE2 TYR A 2 1.755 12.465 -6.894 1.00 0.00 C ATOM 29 CZ TYR A 2 3.030 12.622 -6.310 1.00 0.00 C ATOM 30 OH TYR A 2 3.365 13.806 -5.725 1.00 0.00 O ATOM 0 H TYR A 2 2.777 10.571 -9.739 1.00 0.00 H new ATOM 0 HA TYR A 2 3.632 8.028 -9.267 1.00 0.00 H new ATOM 0 HB2 TYR A 2 0.863 8.898 -8.391 1.00 0.00 H new ATOM 0 HB3 TYR A 2 2.088 8.065 -7.456 1.00 0.00 H new ATOM 0 HD1 TYR A 2 4.300 9.510 -6.966 1.00 0.00 H new ATOM 0 HD2 TYR A 2 0.429 11.127 -7.949 1.00 0.00 H new ATOM 0 HE1 TYR A 2 4.930 11.668 -5.898 1.00 0.00 H new ATOM 0 HE2 TYR A 2 1.049 13.282 -6.876 1.00 0.00 H new ATOM 0 HH TYR A 2 2.613 14.430 -5.796 1.00 0.00 H new ATOM 40 N LEU A 3 0.841 8.022 -11.010 1.00 0.00 N ATOM 41 CA LEU A 3 -0.162 7.262 -11.760 1.00 0.00 C ATOM 42 C LEU A 3 0.494 6.343 -12.800 1.00 0.00 C ATOM 43 O LEU A 3 0.150 5.166 -12.894 1.00 0.00 O ATOM 44 CB LEU A 3 -1.129 8.257 -12.427 1.00 0.00 C ATOM 45 CG LEU A 3 -1.915 9.130 -11.428 1.00 0.00 C ATOM 46 CD1 LEU A 3 -2.606 10.264 -12.182 1.00 0.00 C ATOM 47 CD2 LEU A 3 -2.966 8.321 -10.663 1.00 0.00 C ATOM 0 H LEU A 3 0.740 9.029 -11.134 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.714 6.616 -11.077 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.563 8.906 -13.095 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.836 7.703 -13.045 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.205 9.527 -10.703 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.163 10.883 -11.478 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -1.857 10.874 -12.688 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.292 9.846 -12.919 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.496 8.975 -9.971 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.676 7.888 -11.368 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.476 7.523 -10.105 1.00 0.00 H new ATOM 59 N ARG A 4 1.492 6.857 -13.531 1.00 0.00 N ATOM 60 CA ARG A 4 2.311 6.089 -14.481 1.00 0.00 C ATOM 61 C ARG A 4 3.100 4.975 -13.784 1.00 0.00 C ATOM 62 O ARG A 4 3.181 3.869 -14.314 1.00 0.00 O ATOM 63 CB ARG A 4 3.214 7.070 -15.251 1.00 0.00 C ATOM 64 CG ARG A 4 4.144 6.384 -16.263 1.00 0.00 C ATOM 65 CD ARG A 4 4.771 7.376 -17.256 1.00 0.00 C ATOM 66 NE ARG A 4 5.543 8.451 -16.597 1.00 0.00 N ATOM 67 CZ ARG A 4 6.340 9.322 -17.190 1.00 0.00 C ATOM 68 NH1 ARG A 4 6.584 9.292 -18.471 1.00 0.00 N ATOM 69 NH2 ARG A 4 6.911 10.256 -16.491 1.00 0.00 N ATOM 0 H ARG A 4 1.759 7.840 -13.478 1.00 0.00 H new ATOM 0 HA ARG A 4 1.665 5.576 -15.194 1.00 0.00 H new ATOM 0 HB2 ARG A 4 2.588 7.791 -15.776 1.00 0.00 H new ATOM 0 HB3 ARG A 4 3.818 7.631 -14.538 1.00 0.00 H new ATOM 0 HG2 ARG A 4 4.937 5.862 -15.727 1.00 0.00 H new ATOM 0 HG3 ARG A 4 3.582 5.630 -16.814 1.00 0.00 H new ATOM 0 HD2 ARG A 4 5.426 6.833 -17.938 1.00 0.00 H new ATOM 0 HD3 ARG A 4 3.982 7.823 -17.861 1.00 0.00 H new ATOM 0 HE ARG A 4 5.451 8.528 -15.584 1.00 0.00 H new ATOM 0 HH11 ARG A 4 6.153 8.576 -19.056 1.00 0.00 H new ATOM 0 HH12 ARG A 4 7.206 9.984 -18.888 1.00 0.00 H new ATOM 0 HH21 ARG A 4 6.744 10.316 -15.487 1.00 0.00 H new ATOM 0 HH22 ARG A 4 7.527 10.930 -16.946 1.00 0.00 H new ATOM 83 N GLU A 5 3.630 5.236 -12.587 1.00 0.00 N ATOM 84 CA GLU A 5 4.319 4.211 -11.784 1.00 0.00 C ATOM 85 C GLU A 5 3.350 3.114 -11.293 1.00 0.00 C ATOM 86 O GLU A 5 3.635 1.922 -11.426 1.00 0.00 O ATOM 87 CB GLU A 5 5.052 4.888 -10.617 1.00 0.00 C ATOM 88 CG GLU A 5 5.954 3.922 -9.843 1.00 0.00 C ATOM 89 CD GLU A 5 6.660 4.641 -8.676 1.00 0.00 C ATOM 90 OE1 GLU A 5 6.064 4.745 -7.575 1.00 0.00 O ATOM 91 OE2 GLU A 5 7.817 5.096 -8.851 1.00 0.00 O ATOM 0 H GLU A 5 3.597 6.155 -12.146 1.00 0.00 H new ATOM 0 HA GLU A 5 5.051 3.706 -12.415 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.654 5.712 -11.001 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.319 5.319 -9.935 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.360 3.093 -9.458 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.698 3.495 -10.516 1.00 0.00 H new ATOM 98 N LEU A 6 2.180 3.518 -10.785 1.00 0.00 N ATOM 99 CA LEU A 6 1.085 2.661 -10.315 1.00 0.00 C ATOM 100 C LEU A 6 0.620 1.669 -11.392 1.00 0.00 C ATOM 101 O LEU A 6 0.693 0.452 -11.203 1.00 0.00 O ATOM 102 CB LEU A 6 -0.076 3.580 -9.858 1.00 0.00 C ATOM 103 CG LEU A 6 -0.235 3.674 -8.337 1.00 0.00 C ATOM 104 CD1 LEU A 6 1.007 4.191 -7.605 1.00 0.00 C ATOM 105 CD2 LEU A 6 -1.391 4.613 -7.987 1.00 0.00 C ATOM 0 H LEU A 6 1.959 4.509 -10.685 1.00 0.00 H new ATOM 0 HA LEU A 6 1.436 2.052 -9.482 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.087 4.581 -10.258 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.008 3.212 -10.288 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.418 2.651 -8.008 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.809 4.227 -6.534 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.847 3.523 -7.797 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.250 5.192 -7.963 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.496 4.673 -6.904 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.187 5.606 -8.387 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.315 4.230 -8.420 1.00 0.00 H new ATOM 117 N LEU A 7 0.181 2.203 -12.534 1.00 0.00 N ATOM 118 CA LEU A 7 -0.292 1.437 -13.693 1.00 0.00 C ATOM 119 C LEU A 7 0.756 0.427 -14.193 1.00 0.00 C ATOM 120 O LEU A 7 0.429 -0.743 -14.404 1.00 0.00 O ATOM 121 CB LEU A 7 -0.693 2.404 -14.826 1.00 0.00 C ATOM 122 CG LEU A 7 -1.915 3.296 -14.526 1.00 0.00 C ATOM 123 CD1 LEU A 7 -2.049 4.388 -15.588 1.00 0.00 C ATOM 124 CD2 LEU A 7 -3.227 2.517 -14.480 1.00 0.00 C ATOM 0 H LEU A 7 0.143 3.211 -12.684 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.162 0.861 -13.378 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.158 3.046 -15.053 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.900 1.821 -15.723 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.737 3.726 -13.540 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.916 5.010 -15.363 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.151 5.005 -15.591 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.176 3.929 -16.568 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.049 3.200 -14.265 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -3.398 2.035 -15.443 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.172 1.758 -13.699 1.00 0.00 H new ATOM 136 N LYS A 8 2.018 0.854 -14.350 1.00 0.00 N ATOM 137 CA LYS A 8 3.123 0.002 -14.823 1.00 0.00 C ATOM 138 C LYS A 8 3.472 -1.120 -13.837 1.00 0.00 C ATOM 139 O LYS A 8 3.679 -2.260 -14.254 1.00 0.00 O ATOM 140 CB LYS A 8 4.334 0.898 -15.144 1.00 0.00 C ATOM 141 CG LYS A 8 5.483 0.124 -15.812 1.00 0.00 C ATOM 142 CD LYS A 8 6.651 1.031 -16.231 1.00 0.00 C ATOM 143 CE LYS A 8 6.267 1.984 -17.373 1.00 0.00 C ATOM 144 NZ LYS A 8 7.438 2.773 -17.842 1.00 0.00 N ATOM 0 H LYS A 8 2.305 1.812 -14.150 1.00 0.00 H new ATOM 0 HA LYS A 8 2.806 -0.513 -15.730 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.017 1.709 -15.800 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.696 1.356 -14.224 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.850 -0.638 -15.124 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.101 -0.397 -16.690 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.983 1.613 -15.371 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.494 0.414 -16.543 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.857 1.411 -18.204 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.483 2.661 -17.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.144 3.406 -18.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.814 3.338 -17.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.176 2.127 -18.187 1.00 0.00 H new ATOM 158 N GLY A 9 3.493 -0.827 -12.535 1.00 0.00 N ATOM 159 CA GLY A 9 3.874 -1.784 -11.499 1.00 0.00 C ATOM 160 C GLY A 9 2.832 -2.856 -11.208 1.00 0.00 C ATOM 161 O GLY A 9 3.174 -4.022 -11.023 1.00 0.00 O ATOM 0 H GLY A 9 3.243 0.091 -12.169 1.00 0.00 H new ATOM 0 HA2 GLY A 9 4.803 -2.271 -11.797 1.00 0.00 H new ATOM 0 HA3 GLY A 9 4.081 -1.239 -10.578 1.00 0.00 H new ATOM 165 N GLU A 10 1.552 -2.499 -11.249 1.00 0.00 N ATOM 166 CA GLU A 10 0.466 -3.491 -11.207 1.00 0.00 C ATOM 167 C GLU A 10 0.510 -4.447 -12.411 1.00 0.00 C ATOM 168 O GLU A 10 0.254 -5.644 -12.257 1.00 0.00 O ATOM 169 CB GLU A 10 -0.893 -2.776 -11.164 1.00 0.00 C ATOM 170 CG GLU A 10 -1.185 -2.029 -9.852 1.00 0.00 C ATOM 171 CD GLU A 10 -1.873 -2.936 -8.833 1.00 0.00 C ATOM 172 OE1 GLU A 10 -1.438 -4.008 -8.375 1.00 0.00 O ATOM 173 OE2 GLU A 10 -3.040 -2.821 -8.404 1.00 0.00 O ATOM 0 H GLU A 10 1.234 -1.532 -11.311 1.00 0.00 H new ATOM 0 HA GLU A 10 0.602 -4.088 -10.305 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.941 -2.065 -11.989 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.680 -3.511 -11.331 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.253 -1.650 -9.433 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.817 -1.165 -10.057 1.00 0.00 H new ATOM 180 N LEU A 11 0.901 -3.965 -13.598 1.00 0.00 N ATOM 181 CA LEU A 11 0.986 -4.786 -14.811 1.00 0.00 C ATOM 182 C LEU A 11 2.088 -5.859 -14.686 1.00 0.00 C ATOM 183 O LEU A 11 1.927 -6.993 -15.141 1.00 0.00 O ATOM 184 CB LEU A 11 1.129 -3.798 -15.997 1.00 0.00 C ATOM 185 CG LEU A 11 2.072 -4.213 -17.130 1.00 0.00 C ATOM 186 CD1 LEU A 11 1.473 -5.309 -18.017 1.00 0.00 C ATOM 187 CD2 LEU A 11 2.401 -3.017 -18.025 1.00 0.00 C ATOM 0 H LEU A 11 1.168 -2.991 -13.744 1.00 0.00 H new ATOM 0 HA LEU A 11 0.092 -5.385 -14.982 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.139 -3.632 -16.422 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.471 -2.841 -15.603 1.00 0.00 H new ATOM 0 HG LEU A 11 2.971 -4.596 -16.648 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.181 -5.567 -18.805 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.264 -6.192 -17.413 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.547 -4.949 -18.465 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.072 -3.334 -18.823 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.482 -2.623 -18.459 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.884 -2.241 -17.432 1.00 0.00 H new ATOM 199 N GLN A 12 3.163 -5.527 -13.973 1.00 0.00 N ATOM 200 CA GLN A 12 4.282 -6.404 -13.637 1.00 0.00 C ATOM 201 C GLN A 12 3.858 -7.581 -12.731 1.00 0.00 C ATOM 202 O GLN A 12 4.541 -8.606 -12.681 1.00 0.00 O ATOM 203 CB GLN A 12 5.389 -5.551 -12.988 1.00 0.00 C ATOM 204 CG GLN A 12 6.773 -6.215 -13.023 1.00 0.00 C ATOM 205 CD GLN A 12 7.858 -5.372 -12.351 1.00 0.00 C ATOM 206 OE1 GLN A 12 7.914 -4.152 -12.460 1.00 0.00 O ATOM 207 NE2 GLN A 12 8.771 -5.983 -11.622 1.00 0.00 N ATOM 0 H GLN A 12 3.283 -4.588 -13.594 1.00 0.00 H new ATOM 0 HA GLN A 12 4.660 -6.864 -14.550 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.443 -4.590 -13.499 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.119 -5.346 -11.952 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.717 -7.185 -12.529 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.055 -6.400 -14.060 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.745 -6.997 -11.517 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.504 -5.441 -11.163 1.00 0.00 H new ATOM 216 N GLY A 13 2.712 -7.460 -12.048 1.00 0.00 N ATOM 217 CA GLY A 13 2.158 -8.484 -11.163 1.00 0.00 C ATOM 218 C GLY A 13 1.107 -9.352 -11.852 1.00 0.00 C ATOM 219 O GLY A 13 1.061 -10.557 -11.592 1.00 0.00 O ATOM 0 H GLY A 13 2.132 -6.623 -12.100 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.965 -9.119 -10.798 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.712 -8.003 -10.292 1.00 0.00 H new ATOM 223 N ILE A 14 0.306 -8.787 -12.773 1.00 0.00 N ATOM 224 CA ILE A 14 -0.773 -9.556 -13.435 1.00 0.00 C ATOM 225 C ILE A 14 -0.210 -10.776 -14.174 1.00 0.00 C ATOM 226 O ILE A 14 -0.713 -11.895 -14.025 1.00 0.00 O ATOM 227 CB ILE A 14 -1.615 -8.675 -14.392 1.00 0.00 C ATOM 228 CG1 ILE A 14 -2.432 -7.647 -13.581 1.00 0.00 C ATOM 229 CG2 ILE A 14 -2.575 -9.517 -15.263 1.00 0.00 C ATOM 230 CD1 ILE A 14 -3.192 -6.634 -14.443 1.00 0.00 C ATOM 0 H ILE A 14 0.380 -7.816 -13.075 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.439 -9.909 -12.648 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.919 -8.162 -15.056 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.145 -8.180 -12.952 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.759 -7.108 -12.914 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.145 -8.858 -15.918 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -1.998 -10.218 -15.866 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.260 -10.070 -14.620 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -3.741 -5.947 -13.799 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.485 -6.072 -15.053 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.892 -7.161 -15.091 1.00 0.00 H new ATOM 242 N LYS A 15 0.850 -10.568 -14.965 1.00 0.00 N ATOM 243 CA LYS A 15 1.351 -11.586 -15.900 1.00 0.00 C ATOM 244 C LYS A 15 2.043 -12.771 -15.208 1.00 0.00 C ATOM 245 O LYS A 15 2.037 -13.884 -15.733 1.00 0.00 O ATOM 246 CB LYS A 15 2.231 -10.910 -16.969 1.00 0.00 C ATOM 247 CG LYS A 15 2.314 -11.756 -18.251 1.00 0.00 C ATOM 248 CD LYS A 15 2.971 -10.980 -19.401 1.00 0.00 C ATOM 249 CE LYS A 15 2.933 -11.819 -20.686 1.00 0.00 C ATOM 250 NZ LYS A 15 3.507 -11.081 -21.842 1.00 0.00 N ATOM 0 H LYS A 15 1.381 -9.697 -14.976 1.00 0.00 H new ATOM 0 HA LYS A 15 0.493 -12.040 -16.395 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.825 -9.927 -17.207 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.233 -10.753 -16.570 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.884 -12.664 -18.052 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.312 -12.067 -18.547 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.451 -10.035 -19.558 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.002 -10.737 -19.145 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.488 -12.744 -20.533 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.903 -12.098 -20.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.464 -11.679 -22.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.961 -10.210 -22.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.498 -10.836 -21.640 1.00 0.00 H new ATOM 264 N GLN A 16 2.581 -12.554 -14.004 1.00 0.00 N ATOM 265 CA GLN A 16 3.235 -13.571 -13.184 1.00 0.00 C ATOM 266 C GLN A 16 2.231 -14.454 -12.444 1.00 0.00 C ATOM 267 O GLN A 16 2.408 -15.670 -12.363 1.00 0.00 O ATOM 268 CB GLN A 16 4.140 -12.852 -12.170 1.00 0.00 C ATOM 269 CG GLN A 16 5.411 -12.215 -12.755 1.00 0.00 C ATOM 270 CD GLN A 16 6.446 -13.246 -13.211 1.00 0.00 C ATOM 271 OE1 GLN A 16 6.277 -13.948 -14.200 1.00 0.00 O ATOM 272 NE2 GLN A 16 7.564 -13.384 -12.532 1.00 0.00 N ATOM 0 H GLN A 16 2.571 -11.635 -13.562 1.00 0.00 H new ATOM 0 HA GLN A 16 3.812 -14.227 -13.836 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.558 -12.073 -11.677 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.433 -13.566 -11.400 1.00 0.00 H new ATOM 0 HG2 GLN A 16 5.138 -11.585 -13.602 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.862 -11.564 -12.006 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.732 -12.812 -11.704 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.263 -14.063 -12.833 1.00 0.00 H new ATOM 281 N TYR A 17 1.147 -13.859 -11.950 1.00 0.00 N ATOM 282 CA TYR A 17 0.089 -14.595 -11.270 1.00 0.00 C ATOM 283 C TYR A 17 -0.605 -15.622 -12.167 1.00 0.00 C ATOM 284 O TYR A 17 -0.921 -16.720 -11.701 1.00 0.00 O ATOM 285 CB TYR A 17 -0.945 -13.608 -10.717 1.00 0.00 C ATOM 286 CG TYR A 17 -0.622 -12.980 -9.372 1.00 0.00 C ATOM 287 CD1 TYR A 17 -0.162 -13.776 -8.302 1.00 0.00 C ATOM 288 CD2 TYR A 17 -0.882 -11.611 -9.163 1.00 0.00 C ATOM 289 CE1 TYR A 17 0.064 -13.198 -7.040 1.00 0.00 C ATOM 290 CE2 TYR A 17 -0.675 -11.033 -7.895 1.00 0.00 C ATOM 291 CZ TYR A 17 -0.207 -11.830 -6.827 1.00 0.00 C ATOM 292 OH TYR A 17 -0.127 -11.326 -5.567 1.00 0.00 O ATOM 0 H TYR A 17 0.980 -12.855 -12.011 1.00 0.00 H new ATOM 0 HA TYR A 17 0.559 -15.154 -10.461 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.078 -12.808 -11.445 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.901 -14.125 -10.633 1.00 0.00 H new ATOM 0 HD1 TYR A 17 0.017 -14.830 -8.452 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.242 -11.002 -9.979 1.00 0.00 H new ATOM 0 HE1 TYR A 17 0.446 -13.803 -6.231 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.874 -9.983 -7.740 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.492 -10.417 -5.555 1.00 0.00 H new ATOM 302 N ARG A 18 -0.813 -15.302 -13.452 1.00 0.00 N ATOM 303 CA ARG A 18 -1.477 -16.237 -14.380 1.00 0.00 C ATOM 304 C ARG A 18 -0.620 -17.480 -14.665 1.00 0.00 C ATOM 305 O ARG A 18 -1.155 -18.564 -14.884 1.00 0.00 O ATOM 306 CB ARG A 18 -1.925 -15.519 -15.666 1.00 0.00 C ATOM 307 CG ARG A 18 -3.370 -15.849 -16.092 1.00 0.00 C ATOM 308 CD ARG A 18 -3.616 -17.345 -16.337 1.00 0.00 C ATOM 309 NE ARG A 18 -4.975 -17.614 -16.846 1.00 0.00 N ATOM 310 CZ ARG A 18 -5.499 -18.808 -17.067 1.00 0.00 C ATOM 311 NH1 ARG A 18 -4.825 -19.908 -16.865 1.00 0.00 N ATOM 312 NH2 ARG A 18 -6.722 -18.926 -17.498 1.00 0.00 N ATOM 0 H ARG A 18 -0.536 -14.415 -13.872 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.378 -16.603 -13.888 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.836 -14.443 -15.520 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.247 -15.788 -16.476 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.056 -15.499 -15.320 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.606 -15.297 -17.002 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.882 -17.719 -17.051 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.464 -17.893 -15.407 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.564 -16.805 -17.046 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.864 -19.862 -16.527 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.260 -20.813 -17.046 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.285 -18.093 -17.668 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.117 -19.852 -17.665 1.00 0.00 H new ATOM 326 N GLU A 19 0.706 -17.348 -14.598 1.00 0.00 N ATOM 327 CA GLU A 19 1.640 -18.472 -14.714 1.00 0.00 C ATOM 328 C GLU A 19 1.646 -19.400 -13.487 1.00 0.00 C ATOM 329 O GLU A 19 1.887 -20.602 -13.612 1.00 0.00 O ATOM 330 CB GLU A 19 3.058 -17.920 -14.925 1.00 0.00 C ATOM 331 CG GLU A 19 3.548 -18.194 -16.352 1.00 0.00 C ATOM 332 CD GLU A 19 4.981 -17.675 -16.582 1.00 0.00 C ATOM 333 OE1 GLU A 19 5.943 -18.280 -16.049 1.00 0.00 O ATOM 334 OE2 GLU A 19 5.161 -16.682 -17.329 1.00 0.00 O ATOM 0 H GLU A 19 1.167 -16.449 -14.460 1.00 0.00 H new ATOM 0 HA GLU A 19 1.308 -19.071 -15.562 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.067 -16.847 -14.734 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.740 -18.377 -14.208 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.515 -19.266 -16.547 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.872 -17.720 -17.064 1.00 0.00 H new ATOM 341 N ALA A 20 1.412 -18.859 -12.290 1.00 0.00 N ATOM 342 CA ALA A 20 1.665 -19.564 -11.035 1.00 0.00 C ATOM 343 C ALA A 20 0.605 -20.635 -10.710 1.00 0.00 C ATOM 344 O ALA A 20 0.945 -21.665 -10.127 1.00 0.00 O ATOM 345 CB ALA A 20 1.824 -18.521 -9.924 1.00 0.00 C ATOM 0 H ALA A 20 1.041 -17.917 -12.165 1.00 0.00 H new ATOM 0 HA ALA A 20 2.588 -20.135 -11.129 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.014 -19.025 -8.976 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.661 -17.863 -10.159 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.911 -17.932 -9.845 1.00 0.00 H new ATOM 351 N LEU A 21 -0.650 -20.460 -11.147 1.00 0.00 N ATOM 352 CA LEU A 21 -1.698 -21.488 -11.032 1.00 0.00 C ATOM 353 C LEU A 21 -1.373 -22.754 -11.826 1.00 0.00 C ATOM 354 O LEU A 21 -1.763 -23.840 -11.404 1.00 0.00 O ATOM 355 CB LEU A 21 -3.061 -20.873 -11.404 1.00 0.00 C ATOM 356 CG LEU A 21 -4.290 -21.797 -11.247 1.00 0.00 C ATOM 357 CD1 LEU A 21 -5.539 -20.973 -10.927 1.00 0.00 C ATOM 358 CD2 LEU A 21 -4.616 -22.578 -12.526 1.00 0.00 C ATOM 0 H LEU A 21 -0.969 -19.599 -11.592 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.747 -21.821 -9.995 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.217 -19.987 -10.788 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.014 -20.537 -12.440 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.032 -22.489 -10.445 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.396 -21.638 -10.819 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.385 -20.426 -9.997 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.727 -20.267 -11.736 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.488 -23.209 -12.355 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.827 -21.879 -13.335 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.765 -23.202 -12.798 1.00 0.00 H new ATOM 370 N GLU A 22 -0.622 -22.677 -12.925 1.00 0.00 N ATOM 371 CA GLU A 22 -0.275 -23.889 -13.683 1.00 0.00 C ATOM 372 C GLU A 22 0.636 -24.853 -12.901 1.00 0.00 C ATOM 373 O GLU A 22 0.560 -26.070 -13.081 1.00 0.00 O ATOM 374 CB GLU A 22 0.397 -23.500 -15.002 1.00 0.00 C ATOM 375 CG GLU A 22 -0.627 -23.160 -16.091 1.00 0.00 C ATOM 376 CD GLU A 22 0.066 -22.912 -17.444 1.00 0.00 C ATOM 377 OE1 GLU A 22 0.324 -23.892 -18.185 1.00 0.00 O ATOM 378 OE2 GLU A 22 0.346 -21.737 -17.785 1.00 0.00 O ATOM 0 H GLU A 22 -0.247 -21.809 -13.308 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.208 -24.420 -13.872 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.049 -22.642 -14.837 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.029 -24.320 -15.342 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.343 -23.976 -16.189 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.192 -22.274 -15.800 1.00 0.00 H new ATOM 385 N TYR A 23 1.466 -24.319 -12.004 1.00 0.00 N ATOM 386 CA TYR A 23 2.334 -25.095 -11.107 1.00 0.00 C ATOM 387 C TYR A 23 1.620 -25.718 -9.888 1.00 0.00 C ATOM 388 O TYR A 23 2.198 -26.594 -9.238 1.00 0.00 O ATOM 389 CB TYR A 23 3.511 -24.215 -10.648 1.00 0.00 C ATOM 390 CG TYR A 23 4.753 -24.394 -11.500 1.00 0.00 C ATOM 391 CD1 TYR A 23 4.923 -23.648 -12.683 1.00 0.00 C ATOM 392 CD2 TYR A 23 5.726 -25.340 -11.118 1.00 0.00 C ATOM 393 CE1 TYR A 23 6.067 -23.846 -13.480 1.00 0.00 C ATOM 394 CE2 TYR A 23 6.872 -25.538 -11.912 1.00 0.00 C ATOM 395 CZ TYR A 23 7.045 -24.791 -13.097 1.00 0.00 C ATOM 396 OH TYR A 23 8.147 -24.980 -13.876 1.00 0.00 O ATOM 0 H TYR A 23 1.558 -23.311 -11.875 1.00 0.00 H new ATOM 0 HA TYR A 23 2.687 -25.946 -11.690 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.207 -23.169 -10.674 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.751 -24.451 -9.611 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.177 -22.925 -12.978 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.592 -25.915 -10.213 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.197 -23.274 -14.387 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.618 -26.261 -11.615 1.00 0.00 H new ATOM 0 HH TYR A 23 8.721 -25.663 -13.471 1.00 0.00 H new ATOM 406 N THR A 24 0.396 -25.291 -9.552 1.00 0.00 N ATOM 407 CA THR A 24 -0.210 -25.546 -8.221 1.00 0.00 C ATOM 408 C THR A 24 -1.691 -25.942 -8.255 1.00 0.00 C ATOM 409 O THR A 24 -2.177 -26.636 -7.359 1.00 0.00 O ATOM 410 CB THR A 24 -0.087 -24.286 -7.340 1.00 0.00 C ATOM 411 OG1 THR A 24 -0.957 -23.285 -7.829 1.00 0.00 O ATOM 412 CG2 THR A 24 1.317 -23.675 -7.286 1.00 0.00 C ATOM 0 H THR A 24 -0.205 -24.762 -10.184 1.00 0.00 H new ATOM 0 HA THR A 24 0.344 -26.393 -7.818 1.00 0.00 H new ATOM 0 HB THR A 24 -0.340 -24.617 -6.333 1.00 0.00 H new ATOM 0 HG1 THR A 24 -0.881 -22.484 -7.269 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.306 -22.795 -6.644 1.00 0.00 H new ATOM 0 HG22 THR A 24 2.018 -24.408 -6.886 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.628 -23.387 -8.290 1.00 0.00 H new ATOM 420 N HIS A 25 -2.413 -25.506 -9.291 1.00 0.00 N ATOM 421 CA HIS A 25 -3.876 -25.494 -9.456 1.00 0.00 C ATOM 422 C HIS A 25 -4.678 -24.911 -8.268 1.00 0.00 C ATOM 423 O HIS A 25 -5.883 -25.151 -8.156 1.00 0.00 O ATOM 424 CB HIS A 25 -4.371 -26.858 -9.961 1.00 0.00 C ATOM 425 CG HIS A 25 -3.690 -27.187 -11.261 1.00 0.00 C ATOM 426 ND1 HIS A 25 -2.538 -27.936 -11.381 1.00 0.00 N ATOM 427 CD2 HIS A 25 -3.902 -26.548 -12.455 1.00 0.00 C ATOM 428 CE1 HIS A 25 -2.046 -27.726 -12.612 1.00 0.00 C ATOM 429 NE2 HIS A 25 -2.880 -26.928 -13.302 1.00 0.00 N ATOM 0 H HIS A 25 -1.950 -25.116 -10.112 1.00 0.00 H new ATOM 0 HA HIS A 25 -4.092 -24.761 -10.234 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -4.160 -27.630 -9.221 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.452 -26.836 -10.099 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.714 -25.875 -12.689 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -1.121 -28.136 -12.991 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -2.776 -26.652 -14.278 1.00 0.00 H new ATOM 438 N ASN A 26 -4.034 -24.158 -7.370 1.00 0.00 N ATOM 439 CA ASN A 26 -4.659 -23.541 -6.191 1.00 0.00 C ATOM 440 C ASN A 26 -5.680 -22.444 -6.585 1.00 0.00 C ATOM 441 O ASN A 26 -5.376 -21.598 -7.430 1.00 0.00 O ATOM 442 CB ASN A 26 -3.542 -23.040 -5.250 1.00 0.00 C ATOM 443 CG ASN A 26 -3.077 -24.130 -4.294 1.00 0.00 C ATOM 444 OD1 ASN A 26 -2.071 -24.789 -4.496 1.00 0.00 O ATOM 445 ND2 ASN A 26 -3.801 -24.367 -3.221 1.00 0.00 N ATOM 0 H ASN A 26 -3.037 -23.954 -7.443 1.00 0.00 H new ATOM 0 HA ASN A 26 -5.250 -24.281 -5.651 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.696 -22.692 -5.843 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -3.904 -22.185 -4.678 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.519 -25.097 -2.567 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.644 -23.821 -3.044 1.00 0.00 H new ATOM 452 N PRO A 27 -6.883 -22.415 -5.970 1.00 0.00 N ATOM 453 CA PRO A 27 -7.972 -21.520 -6.378 1.00 0.00 C ATOM 454 C PRO A 27 -7.765 -20.057 -5.957 1.00 0.00 C ATOM 455 O PRO A 27 -8.482 -19.175 -6.426 1.00 0.00 O ATOM 456 CB PRO A 27 -9.231 -22.104 -5.722 1.00 0.00 C ATOM 457 CG PRO A 27 -8.694 -22.742 -4.444 1.00 0.00 C ATOM 458 CD PRO A 27 -7.341 -23.291 -4.894 1.00 0.00 C ATOM 0 HA PRO A 27 -8.035 -21.478 -7.465 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -9.969 -21.331 -5.507 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.717 -22.838 -6.365 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.590 -22.014 -3.639 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.351 -23.531 -4.077 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.630 -23.298 -4.068 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.435 -24.319 -5.243 1.00 0.00 H new ATOM 466 N VAL A 28 -6.793 -19.775 -5.079 1.00 0.00 N ATOM 467 CA VAL A 28 -6.564 -18.420 -4.545 1.00 0.00 C ATOM 468 C VAL A 28 -5.990 -17.470 -5.587 1.00 0.00 C ATOM 469 O VAL A 28 -6.326 -16.291 -5.623 1.00 0.00 O ATOM 470 CB VAL A 28 -5.684 -18.511 -3.287 1.00 0.00 C ATOM 471 CG1 VAL A 28 -4.177 -18.632 -3.549 1.00 0.00 C ATOM 472 CG2 VAL A 28 -5.961 -17.321 -2.382 1.00 0.00 C ATOM 0 H VAL A 28 -6.144 -20.475 -4.718 1.00 0.00 H new ATOM 0 HA VAL A 28 -7.527 -17.990 -4.268 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.964 -19.447 -2.804 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.646 -18.690 -2.599 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.980 -19.533 -4.130 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.833 -17.760 -4.104 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.336 -17.388 -1.491 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.735 -16.398 -2.915 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.011 -17.323 -2.090 1.00 0.00 H new ATOM 482 N LEU A 29 -5.185 -17.998 -6.501 1.00 0.00 N ATOM 483 CA LEU A 29 -4.634 -17.258 -7.633 1.00 0.00 C ATOM 484 C LEU A 29 -5.760 -16.743 -8.553 1.00 0.00 C ATOM 485 O LEU A 29 -5.731 -15.585 -8.970 1.00 0.00 O ATOM 486 CB LEU A 29 -3.643 -18.193 -8.339 1.00 0.00 C ATOM 487 CG LEU A 29 -2.434 -18.560 -7.449 1.00 0.00 C ATOM 488 CD1 LEU A 29 -2.181 -20.063 -7.411 1.00 0.00 C ATOM 489 CD2 LEU A 29 -1.175 -17.871 -7.967 1.00 0.00 C ATOM 0 H LEU A 29 -4.890 -18.974 -6.477 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.105 -16.361 -7.310 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.160 -19.105 -8.638 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.286 -17.716 -9.252 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.671 -18.224 -6.440 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.322 -20.271 -6.773 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.060 -20.570 -7.013 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.980 -20.424 -8.420 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.328 -18.136 -7.333 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.978 -18.194 -8.989 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.318 -16.791 -7.949 1.00 0.00 H new ATOM 501 N ALA A 30 -6.820 -17.543 -8.732 1.00 0.00 N ATOM 502 CA ALA A 30 -8.086 -17.185 -9.389 1.00 0.00 C ATOM 503 C ALA A 30 -9.012 -16.259 -8.550 1.00 0.00 C ATOM 504 O ALA A 30 -10.206 -16.130 -8.838 1.00 0.00 O ATOM 505 CB ALA A 30 -8.786 -18.486 -9.810 1.00 0.00 C ATOM 0 H ALA A 30 -6.818 -18.509 -8.405 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.853 -16.577 -10.263 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -9.730 -18.249 -10.301 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -8.146 -19.037 -10.500 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.979 -19.097 -8.928 1.00 0.00 H new ATOM 511 N LYS A 31 -8.467 -15.595 -7.522 1.00 0.00 N ATOM 512 CA LYS A 31 -9.052 -14.471 -6.773 1.00 0.00 C ATOM 513 C LYS A 31 -8.070 -13.306 -6.679 1.00 0.00 C ATOM 514 O LYS A 31 -8.461 -12.161 -6.884 1.00 0.00 O ATOM 515 CB LYS A 31 -9.497 -14.924 -5.366 1.00 0.00 C ATOM 516 CG LYS A 31 -10.722 -15.851 -5.384 1.00 0.00 C ATOM 517 CD LYS A 31 -12.031 -15.079 -5.628 1.00 0.00 C ATOM 518 CE LYS A 31 -13.099 -15.969 -6.272 1.00 0.00 C ATOM 519 NZ LYS A 31 -12.882 -16.091 -7.736 1.00 0.00 N ATOM 0 H LYS A 31 -7.544 -15.844 -7.167 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.932 -14.127 -7.316 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.668 -15.438 -4.879 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -9.725 -14.044 -4.764 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.595 -16.603 -6.163 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.787 -16.383 -4.435 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -12.405 -14.688 -4.682 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.834 -14.222 -6.272 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.077 -16.958 -5.814 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -14.088 -15.552 -6.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -13.484 -16.850 -8.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -13.126 -15.192 -8.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.884 -16.317 -7.921 1.00 0.00 H new ATOM 533 N ILE A 32 -6.785 -13.600 -6.475 1.00 0.00 N ATOM 534 CA ILE A 32 -5.722 -12.591 -6.402 1.00 0.00 C ATOM 535 C ILE A 32 -5.591 -11.808 -7.711 1.00 0.00 C ATOM 536 O ILE A 32 -5.837 -10.603 -7.725 1.00 0.00 O ATOM 537 CB ILE A 32 -4.386 -13.216 -5.953 1.00 0.00 C ATOM 538 CG1 ILE A 32 -4.444 -13.832 -4.536 1.00 0.00 C ATOM 539 CG2 ILE A 32 -3.308 -12.128 -5.945 1.00 0.00 C ATOM 540 CD1 ILE A 32 -3.337 -14.871 -4.317 1.00 0.00 C ATOM 0 H ILE A 32 -6.447 -14.555 -6.354 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.005 -11.867 -5.638 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.162 -14.017 -6.657 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.351 -13.041 -3.792 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.416 -14.300 -4.383 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.358 -12.559 -5.629 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.202 -11.713 -6.947 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.595 -11.336 -5.253 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.415 -15.278 -3.309 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.445 -15.677 -5.043 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.363 -14.397 -4.443 1.00 0.00 H new ATOM 552 N LEU A 33 -5.263 -12.472 -8.824 1.00 0.00 N ATOM 553 CA LEU A 33 -5.195 -11.785 -10.122 1.00 0.00 C ATOM 554 C LEU A 33 -6.579 -11.429 -10.660 1.00 0.00 C ATOM 555 O LEU A 33 -6.692 -10.513 -11.467 1.00 0.00 O ATOM 556 CB LEU A 33 -4.369 -12.593 -11.130 1.00 0.00 C ATOM 557 CG LEU A 33 -5.115 -13.786 -11.748 1.00 0.00 C ATOM 558 CD1 LEU A 33 -5.706 -13.465 -13.124 1.00 0.00 C ATOM 559 CD2 LEU A 33 -4.211 -15.003 -11.930 1.00 0.00 C ATOM 0 H LEU A 33 -5.043 -13.468 -8.856 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.680 -10.838 -9.964 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.044 -11.929 -11.931 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.470 -12.959 -10.635 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.913 -14.004 -11.038 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.221 -14.343 -13.513 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.413 -12.640 -13.033 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.905 -13.182 -13.807 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.784 -15.819 -12.370 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.382 -14.745 -12.589 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.821 -15.314 -10.961 1.00 0.00 H new ATOM 571 N GLU A 34 -7.632 -12.119 -10.202 1.00 0.00 N ATOM 572 CA GLU A 34 -9.001 -11.731 -10.532 1.00 0.00 C ATOM 573 C GLU A 34 -9.289 -10.305 -10.037 1.00 0.00 C ATOM 574 O GLU A 34 -9.940 -9.539 -10.742 1.00 0.00 O ATOM 575 CB GLU A 34 -10.016 -12.748 -9.994 1.00 0.00 C ATOM 576 CG GLU A 34 -11.413 -12.533 -10.591 1.00 0.00 C ATOM 577 CD GLU A 34 -12.393 -13.626 -10.129 1.00 0.00 C ATOM 578 OE1 GLU A 34 -12.826 -13.602 -8.953 1.00 0.00 O ATOM 579 OE2 GLU A 34 -12.750 -14.519 -10.935 1.00 0.00 O ATOM 0 H GLU A 34 -7.558 -12.943 -9.606 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.108 -11.730 -11.617 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.675 -13.757 -10.223 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.069 -12.668 -8.908 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.791 -11.554 -10.295 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.350 -12.534 -11.679 1.00 0.00 H new ATOM 586 N ASP A 35 -8.732 -9.904 -8.888 1.00 0.00 N ATOM 587 CA ASP A 35 -8.729 -8.509 -8.456 1.00 0.00 C ATOM 588 C ASP A 35 -7.774 -7.614 -9.246 1.00 0.00 C ATOM 589 O ASP A 35 -8.214 -6.577 -9.748 1.00 0.00 O ATOM 590 CB ASP A 35 -8.375 -8.418 -6.977 1.00 0.00 C ATOM 591 CG ASP A 35 -9.308 -9.150 -6.004 1.00 0.00 C ATOM 592 OD1 ASP A 35 -10.518 -9.323 -6.296 1.00 0.00 O ATOM 593 OD2 ASP A 35 -8.808 -9.486 -4.906 1.00 0.00 O ATOM 0 H ASP A 35 -8.273 -10.539 -8.236 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.739 -8.143 -8.643 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.367 -8.810 -6.843 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.348 -7.365 -6.697 1.00 0.00 H new ATOM 598 N GLU A 36 -6.500 -7.997 -9.420 1.00 0.00 N ATOM 599 CA GLU A 36 -5.557 -7.197 -10.220 1.00 0.00 C ATOM 600 C GLU A 36 -6.058 -6.904 -11.649 1.00 0.00 C ATOM 601 O GLU A 36 -5.661 -5.903 -12.246 1.00 0.00 O ATOM 602 CB GLU A 36 -4.187 -7.882 -10.311 1.00 0.00 C ATOM 603 CG GLU A 36 -3.514 -8.296 -8.998 1.00 0.00 C ATOM 604 CD GLU A 36 -3.114 -7.154 -8.071 1.00 0.00 C ATOM 605 OE1 GLU A 36 -3.357 -5.949 -8.328 1.00 0.00 O ATOM 606 OE2 GLU A 36 -2.544 -7.416 -6.983 1.00 0.00 O ATOM 0 H GLU A 36 -6.101 -8.847 -9.022 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.471 -6.246 -9.694 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.297 -8.774 -10.928 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.510 -7.211 -10.839 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.190 -8.958 -8.458 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.622 -8.876 -9.235 1.00 0.00 H new ATOM 613 N GLU A 37 -6.967 -7.730 -12.180 1.00 0.00 N ATOM 614 CA GLU A 37 -7.559 -7.557 -13.515 1.00 0.00 C ATOM 615 C GLU A 37 -8.428 -6.292 -13.589 1.00 0.00 C ATOM 616 O GLU A 37 -8.462 -5.615 -14.620 1.00 0.00 O ATOM 617 CB GLU A 37 -8.389 -8.802 -13.871 1.00 0.00 C ATOM 618 CG GLU A 37 -8.825 -8.830 -15.341 1.00 0.00 C ATOM 619 CD GLU A 37 -9.554 -10.144 -15.679 1.00 0.00 C ATOM 620 OE1 GLU A 37 -10.793 -10.224 -15.491 1.00 0.00 O ATOM 621 OE2 GLU A 37 -8.898 -11.103 -16.156 1.00 0.00 O ATOM 0 H GLU A 37 -7.319 -8.551 -11.688 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.751 -7.438 -14.237 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.805 -9.696 -13.654 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.273 -8.837 -13.235 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.481 -7.984 -15.545 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.952 -8.719 -15.984 1.00 0.00 H new ATOM 628 N LYS A 38 -9.087 -5.945 -12.474 1.00 0.00 N ATOM 629 CA LYS A 38 -9.813 -4.681 -12.316 1.00 0.00 C ATOM 630 C LYS A 38 -8.892 -3.552 -11.886 1.00 0.00 C ATOM 631 O LYS A 38 -9.040 -2.457 -12.408 1.00 0.00 O ATOM 632 CB LYS A 38 -10.943 -4.774 -11.279 1.00 0.00 C ATOM 633 CG LYS A 38 -12.137 -5.656 -11.672 1.00 0.00 C ATOM 634 CD LYS A 38 -11.987 -7.127 -11.267 1.00 0.00 C ATOM 635 CE LYS A 38 -12.021 -7.324 -9.743 1.00 0.00 C ATOM 636 NZ LYS A 38 -13.409 -7.369 -9.211 1.00 0.00 N ATOM 0 H LYS A 38 -9.130 -6.542 -11.648 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.236 -4.474 -13.299 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.525 -5.154 -10.347 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.309 -3.768 -11.077 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.040 -5.254 -11.212 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.277 -5.600 -12.751 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.787 -7.710 -11.723 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.047 -7.515 -11.659 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.506 -8.250 -9.487 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.476 -6.512 -9.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.381 -7.503 -8.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.894 -6.476 -9.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.923 -8.160 -9.649 1.00 0.00 H new ATOM 650 N HIS A 39 -7.965 -3.786 -10.951 1.00 0.00 N ATOM 651 CA HIS A 39 -7.219 -2.763 -10.222 1.00 0.00 C ATOM 652 C HIS A 39 -6.586 -1.671 -11.093 1.00 0.00 C ATOM 653 O HIS A 39 -6.680 -0.492 -10.751 1.00 0.00 O ATOM 654 CB HIS A 39 -6.138 -3.488 -9.428 1.00 0.00 C ATOM 655 CG HIS A 39 -6.562 -4.148 -8.149 1.00 0.00 C ATOM 656 ND1 HIS A 39 -5.658 -4.557 -7.166 1.00 0.00 N ATOM 657 CD2 HIS A 39 -7.836 -4.419 -7.741 1.00 0.00 C ATOM 658 CE1 HIS A 39 -6.420 -5.062 -6.181 1.00 0.00 C ATOM 659 NE2 HIS A 39 -7.725 -4.966 -6.485 1.00 0.00 N ATOM 0 H HIS A 39 -7.706 -4.732 -10.673 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.926 -2.226 -9.590 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.697 -4.249 -10.072 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.350 -2.772 -9.195 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -4.641 -4.487 -7.190 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.747 -4.240 -8.293 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.035 -5.488 -5.267 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -8.500 -5.250 -5.886 1.00 0.00 H new ATOM 667 N ILE A 40 -5.981 -2.053 -12.222 1.00 0.00 N ATOM 668 CA ILE A 40 -5.401 -1.090 -13.177 1.00 0.00 C ATOM 669 C ILE A 40 -6.486 -0.175 -13.760 1.00 0.00 C ATOM 670 O ILE A 40 -6.390 1.046 -13.643 1.00 0.00 O ATOM 671 CB ILE A 40 -4.610 -1.825 -14.289 1.00 0.00 C ATOM 672 CG1 ILE A 40 -3.459 -2.631 -13.648 1.00 0.00 C ATOM 673 CG2 ILE A 40 -4.044 -0.853 -15.343 1.00 0.00 C ATOM 674 CD1 ILE A 40 -2.487 -3.280 -14.640 1.00 0.00 C ATOM 0 H ILE A 40 -5.877 -3.028 -12.502 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.696 -0.456 -12.639 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.300 -2.493 -14.803 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.895 -1.969 -12.991 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.889 -3.412 -13.021 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.498 -1.415 -16.101 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.863 -0.310 -15.814 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.370 -0.145 -14.861 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.716 -3.822 -14.092 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.031 -3.973 -15.282 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.022 -2.507 -15.252 1.00 0.00 H new ATOM 686 N GLU A 41 -7.549 -0.746 -14.331 1.00 0.00 N ATOM 687 CA GLU A 41 -8.682 0.031 -14.850 1.00 0.00 C ATOM 688 C GLU A 41 -9.401 0.821 -13.749 1.00 0.00 C ATOM 689 O GLU A 41 -9.810 1.954 -13.975 1.00 0.00 O ATOM 690 CB GLU A 41 -9.667 -0.872 -15.609 1.00 0.00 C ATOM 691 CG GLU A 41 -9.051 -1.440 -16.895 1.00 0.00 C ATOM 692 CD GLU A 41 -10.113 -2.150 -17.760 1.00 0.00 C ATOM 693 OE1 GLU A 41 -10.823 -1.464 -18.537 1.00 0.00 O ATOM 694 OE2 GLU A 41 -10.238 -3.397 -17.689 1.00 0.00 O ATOM 0 H GLU A 41 -7.651 -1.754 -14.447 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.272 0.760 -15.549 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.978 -1.693 -14.963 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.563 -0.303 -15.857 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.592 -0.634 -17.468 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.257 -2.142 -16.641 1.00 0.00 H new ATOM 701 N TRP A 42 -9.497 0.273 -12.539 1.00 0.00 N ATOM 702 CA TRP A 42 -10.086 0.906 -11.361 1.00 0.00 C ATOM 703 C TRP A 42 -9.451 2.248 -10.958 1.00 0.00 C ATOM 704 O TRP A 42 -10.198 3.142 -10.562 1.00 0.00 O ATOM 705 CB TRP A 42 -10.114 -0.147 -10.232 1.00 0.00 C ATOM 706 CG TRP A 42 -11.339 -1.009 -10.143 1.00 0.00 C ATOM 707 CD1 TRP A 42 -12.354 -1.055 -11.040 1.00 0.00 C ATOM 708 CD2 TRP A 42 -11.686 -1.983 -9.107 1.00 0.00 C ATOM 709 NE1 TRP A 42 -13.329 -1.928 -10.597 1.00 0.00 N ATOM 710 CE2 TRP A 42 -12.965 -2.539 -9.416 1.00 0.00 C ATOM 711 CE3 TRP A 42 -11.034 -2.479 -7.956 1.00 0.00 C ATOM 712 CZ2 TRP A 42 -13.572 -3.518 -8.615 1.00 0.00 C ATOM 713 CZ3 TRP A 42 -11.623 -3.478 -7.158 1.00 0.00 C ATOM 714 CH2 TRP A 42 -12.893 -3.992 -7.479 1.00 0.00 C ATOM 0 H TRP A 42 -9.151 -0.667 -12.345 1.00 0.00 H new ATOM 0 HA TRP A 42 -11.104 1.216 -11.600 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.248 -0.798 -10.353 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.993 0.371 -9.281 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -12.395 -0.494 -11.962 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -14.209 -2.099 -11.083 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.066 -2.085 -7.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -14.549 -3.903 -8.868 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -11.096 -3.853 -6.293 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -13.345 -4.748 -6.854 1.00 0.00 H new ATOM 725 N LEU A 43 -8.137 2.462 -11.133 1.00 0.00 N ATOM 726 CA LEU A 43 -7.524 3.796 -10.978 1.00 0.00 C ATOM 727 C LEU A 43 -7.476 4.617 -12.286 1.00 0.00 C ATOM 728 O LEU A 43 -7.460 5.844 -12.226 1.00 0.00 O ATOM 729 CB LEU A 43 -6.174 3.679 -10.254 1.00 0.00 C ATOM 730 CG LEU A 43 -5.002 3.294 -11.168 1.00 0.00 C ATOM 731 CD1 LEU A 43 -4.086 4.496 -11.409 1.00 0.00 C ATOM 732 CD2 LEU A 43 -4.169 2.181 -10.548 1.00 0.00 C ATOM 0 H LEU A 43 -7.475 1.727 -11.383 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.179 4.390 -10.341 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.948 4.631 -9.774 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.262 2.935 -9.462 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.429 2.954 -12.111 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.262 4.201 -12.059 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.654 5.297 -11.883 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.689 4.847 -10.457 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.346 1.928 -11.216 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.770 2.516 -9.591 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.794 1.302 -10.393 1.00 0.00 H new ATOM 744 N GLU A 44 -7.509 3.984 -13.465 1.00 0.00 N ATOM 745 CA GLU A 44 -7.536 4.664 -14.771 1.00 0.00 C ATOM 746 C GLU A 44 -8.885 5.314 -15.077 1.00 0.00 C ATOM 747 O GLU A 44 -8.930 6.413 -15.628 1.00 0.00 O ATOM 748 CB GLU A 44 -7.237 3.654 -15.889 1.00 0.00 C ATOM 749 CG GLU A 44 -6.067 4.107 -16.768 1.00 0.00 C ATOM 750 CD GLU A 44 -5.906 3.195 -18.001 1.00 0.00 C ATOM 751 OE1 GLU A 44 -5.274 2.117 -17.892 1.00 0.00 O ATOM 752 OE2 GLU A 44 -6.406 3.558 -19.094 1.00 0.00 O ATOM 0 H GLU A 44 -7.518 2.967 -13.542 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.780 5.448 -14.724 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.007 2.683 -15.450 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.125 3.522 -16.506 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.230 5.135 -17.092 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.146 4.099 -16.184 1.00 0.00 H new ATOM 759 N THR A 45 -9.985 4.659 -14.695 1.00 0.00 N ATOM 760 CA THR A 45 -11.350 5.184 -14.797 1.00 0.00 C ATOM 761 C THR A 45 -11.481 6.580 -14.179 1.00 0.00 C ATOM 762 O THR A 45 -12.186 7.438 -14.712 1.00 0.00 O ATOM 763 CB THR A 45 -12.348 4.192 -14.182 1.00 0.00 C ATOM 764 OG1 THR A 45 -12.491 3.089 -15.055 1.00 0.00 O ATOM 765 CG2 THR A 45 -13.754 4.751 -13.956 1.00 0.00 C ATOM 0 H THR A 45 -9.950 3.722 -14.295 1.00 0.00 H new ATOM 0 HA THR A 45 -11.587 5.297 -15.855 1.00 0.00 H new ATOM 0 HB THR A 45 -11.933 3.933 -13.208 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.727 2.485 -14.947 1.00 0.00 H new ATOM 0 HG21 THR A 45 -14.387 3.978 -13.519 1.00 0.00 H new ATOM 0 HG22 THR A 45 -13.702 5.604 -13.279 1.00 0.00 H new ATOM 0 HG23 THR A 45 -14.176 5.070 -14.909 1.00 0.00 H new ATOM 773 N ILE A 46 -10.745 6.846 -13.095 1.00 0.00 N ATOM 774 CA ILE A 46 -10.698 8.161 -12.431 1.00 0.00 C ATOM 775 C ILE A 46 -10.127 9.268 -13.338 1.00 0.00 C ATOM 776 O ILE A 46 -10.530 10.429 -13.244 1.00 0.00 O ATOM 777 CB ILE A 46 -9.906 8.058 -11.104 1.00 0.00 C ATOM 778 CG1 ILE A 46 -10.380 6.891 -10.202 1.00 0.00 C ATOM 779 CG2 ILE A 46 -9.960 9.372 -10.304 1.00 0.00 C ATOM 780 CD1 ILE A 46 -11.901 6.805 -10.008 1.00 0.00 C ATOM 0 H ILE A 46 -10.155 6.146 -12.645 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.725 8.451 -12.211 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.877 7.856 -11.400 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -10.029 5.953 -10.631 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -9.908 6.991 -9.225 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -9.393 9.259 -9.380 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -9.529 10.178 -10.898 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -10.997 9.611 -10.066 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -12.138 5.959 -9.363 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -12.262 7.725 -9.547 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -12.384 6.670 -10.976 1.00 0.00 H new ATOM 792 N LEU A 47 -9.208 8.910 -14.237 1.00 0.00 N ATOM 793 CA LEU A 47 -8.437 9.834 -15.069 1.00 0.00 C ATOM 794 C LEU A 47 -9.168 10.313 -16.343 1.00 0.00 C ATOM 795 O LEU A 47 -8.726 11.282 -16.965 1.00 0.00 O ATOM 796 CB LEU A 47 -7.075 9.203 -15.426 1.00 0.00 C ATOM 797 CG LEU A 47 -6.294 8.601 -14.240 1.00 0.00 C ATOM 798 CD1 LEU A 47 -4.939 8.076 -14.715 1.00 0.00 C ATOM 799 CD2 LEU A 47 -6.068 9.607 -13.109 1.00 0.00 C ATOM 0 H LEU A 47 -8.972 7.933 -14.411 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.293 10.733 -14.469 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -7.239 8.420 -16.166 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.454 9.964 -15.899 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.903 7.787 -13.847 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.396 7.653 -13.870 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.092 7.305 -15.470 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.362 8.895 -15.144 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.514 9.128 -12.302 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.499 10.457 -13.486 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.030 9.954 -12.733 1.00 0.00 H new ATOM 811 N GLY A 48 -10.271 9.665 -16.742 1.00 0.00 N ATOM 812 CA GLY A 48 -11.008 10.023 -17.967 1.00 0.00 C ATOM 813 C GLY A 48 -12.263 9.197 -18.298 1.00 0.00 C ATOM 814 O GLY A 48 -12.771 9.273 -19.416 1.00 0.00 O ATOM 0 H GLY A 48 -10.678 8.882 -16.230 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.303 11.070 -17.890 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -10.321 9.946 -18.810 1.00 0.00 H new HETATM 818 N NH2 A 49 -12.788 8.393 -17.383 1.00 0.00 N TER 821 NH2 A 49 HETATM 822 C ACE B 0 10.658 -19.463 -4.743 1.00 0.00 C HETATM 823 O ACE B 0 9.958 -18.675 -4.115 1.00 0.00 O HETATM 824 CH3 ACE B 0 10.377 -20.945 -4.682 1.00 0.00 C HETATM 0 H1 ACE B 0 10.160 -21.316 -5.684 1.00 0.00 H new HETATM 0 H2 ACE B 0 11.249 -21.464 -4.284 1.00 0.00 H new HETATM 0 H3 ACE B 0 9.519 -21.126 -4.034 1.00 0.00 H new ATOM 828 N ASP B 1 11.669 -19.081 -5.520 1.00 0.00 N ATOM 829 CA ASP B 1 12.123 -17.687 -5.695 1.00 0.00 C ATOM 830 C ASP B 1 11.017 -16.720 -6.157 1.00 0.00 C ATOM 831 O ASP B 1 11.026 -15.533 -5.821 1.00 0.00 O ATOM 832 CB ASP B 1 13.282 -17.687 -6.698 1.00 0.00 C ATOM 833 CG ASP B 1 14.019 -16.337 -6.744 1.00 0.00 C ATOM 834 OD1 ASP B 1 14.678 -15.973 -5.739 1.00 0.00 O ATOM 835 OD2 ASP B 1 13.974 -15.655 -7.796 1.00 0.00 O ATOM 0 H ASP B 1 12.217 -19.746 -6.065 1.00 0.00 H new ATOM 0 HA ASP B 1 12.438 -17.318 -4.719 1.00 0.00 H new ATOM 0 HB2 ASP B 1 13.988 -18.474 -6.433 1.00 0.00 H new ATOM 0 HB3 ASP B 1 12.899 -17.923 -7.691 1.00 0.00 H new ATOM 840 N TYR B 2 10.023 -17.246 -6.875 1.00 0.00 N ATOM 841 CA TYR B 2 8.817 -16.522 -7.297 1.00 0.00 C ATOM 842 C TYR B 2 8.078 -15.882 -6.121 1.00 0.00 C ATOM 843 O TYR B 2 7.628 -14.746 -6.211 1.00 0.00 O ATOM 844 CB TYR B 2 7.833 -17.468 -8.007 1.00 0.00 C ATOM 845 CG TYR B 2 8.456 -18.580 -8.821 1.00 0.00 C ATOM 846 CD1 TYR B 2 9.165 -18.283 -9.999 1.00 0.00 C ATOM 847 CD2 TYR B 2 8.345 -19.912 -8.378 1.00 0.00 C ATOM 848 CE1 TYR B 2 9.765 -19.320 -10.735 1.00 0.00 C ATOM 849 CE2 TYR B 2 8.940 -20.951 -9.113 1.00 0.00 C ATOM 850 CZ TYR B 2 9.656 -20.659 -10.297 1.00 0.00 C ATOM 851 OH TYR B 2 10.236 -21.669 -11.002 1.00 0.00 O ATOM 0 H TYR B 2 10.033 -18.216 -7.190 1.00 0.00 H new ATOM 0 HA TYR B 2 9.160 -15.739 -7.973 1.00 0.00 H new ATOM 0 HB2 TYR B 2 7.182 -17.915 -7.255 1.00 0.00 H new ATOM 0 HB3 TYR B 2 7.199 -16.874 -8.665 1.00 0.00 H new ATOM 0 HD1 TYR B 2 9.248 -17.261 -10.337 1.00 0.00 H new ATOM 0 HD2 TYR B 2 7.802 -20.135 -7.472 1.00 0.00 H new ATOM 0 HE1 TYR B 2 10.311 -19.092 -11.638 1.00 0.00 H new ATOM 0 HE2 TYR B 2 8.851 -21.972 -8.774 1.00 0.00 H new ATOM 0 HH TYR B 2 10.060 -22.523 -10.555 1.00 0.00 H new ATOM 861 N LEU B 3 7.961 -16.606 -5.005 1.00 0.00 N ATOM 862 CA LEU B 3 7.231 -16.168 -3.815 1.00 0.00 C ATOM 863 C LEU B 3 7.898 -14.929 -3.204 1.00 0.00 C ATOM 864 O LEU B 3 7.224 -13.948 -2.890 1.00 0.00 O ATOM 865 CB LEU B 3 7.150 -17.330 -2.809 1.00 0.00 C ATOM 866 CG LEU B 3 6.398 -18.564 -3.351 1.00 0.00 C ATOM 867 CD1 LEU B 3 6.664 -19.769 -2.451 1.00 0.00 C ATOM 868 CD2 LEU B 3 4.889 -18.322 -3.434 1.00 0.00 C ATOM 0 H LEU B 3 8.379 -17.531 -4.902 1.00 0.00 H new ATOM 0 HA LEU B 3 6.215 -15.884 -4.090 1.00 0.00 H new ATOM 0 HB2 LEU B 3 8.160 -17.626 -2.526 1.00 0.00 H new ATOM 0 HB3 LEU B 3 6.654 -16.982 -1.903 1.00 0.00 H new ATOM 0 HG LEU B 3 6.767 -18.756 -4.359 1.00 0.00 H new ATOM 0 HD11 LEU B 3 6.131 -20.637 -2.838 1.00 0.00 H new ATOM 0 HD12 LEU B 3 7.733 -19.979 -2.431 1.00 0.00 H new ATOM 0 HD13 LEU B 3 6.318 -19.552 -1.440 1.00 0.00 H new ATOM 0 HD21 LEU B 3 4.398 -19.215 -3.820 1.00 0.00 H new ATOM 0 HD22 LEU B 3 4.502 -18.096 -2.441 1.00 0.00 H new ATOM 0 HD23 LEU B 3 4.691 -17.482 -4.100 1.00 0.00 H new ATOM 880 N ARG B 4 9.236 -14.929 -3.125 1.00 0.00 N ATOM 881 CA ARG B 4 10.026 -13.776 -2.670 1.00 0.00 C ATOM 882 C ARG B 4 9.812 -12.538 -3.550 1.00 0.00 C ATOM 883 O ARG B 4 9.748 -11.431 -3.012 1.00 0.00 O ATOM 884 CB ARG B 4 11.511 -14.179 -2.585 1.00 0.00 C ATOM 885 CG ARG B 4 12.463 -13.110 -2.015 1.00 0.00 C ATOM 886 CD ARG B 4 12.174 -12.715 -0.559 1.00 0.00 C ATOM 887 NE ARG B 4 11.051 -11.760 -0.441 1.00 0.00 N ATOM 888 CZ ARG B 4 10.499 -11.323 0.676 1.00 0.00 C ATOM 889 NH1 ARG B 4 10.943 -11.666 1.850 1.00 0.00 N ATOM 890 NH2 ARG B 4 9.475 -10.521 0.631 1.00 0.00 N ATOM 0 H ARG B 4 9.806 -15.737 -3.377 1.00 0.00 H new ATOM 0 HA ARG B 4 9.682 -13.489 -1.676 1.00 0.00 H new ATOM 0 HB2 ARG B 4 11.590 -15.075 -1.969 1.00 0.00 H new ATOM 0 HB3 ARG B 4 11.853 -14.448 -3.584 1.00 0.00 H new ATOM 0 HG2 ARG B 4 13.486 -13.479 -2.082 1.00 0.00 H new ATOM 0 HG3 ARG B 4 12.404 -12.218 -2.639 1.00 0.00 H new ATOM 0 HD2 ARG B 4 11.946 -13.611 0.018 1.00 0.00 H new ATOM 0 HD3 ARG B 4 13.069 -12.273 -0.122 1.00 0.00 H new ATOM 0 HE ARG B 4 10.662 -11.402 -1.313 1.00 0.00 H new ATOM 0 HH11 ARG B 4 11.744 -12.293 1.929 1.00 0.00 H new ATOM 0 HH12 ARG B 4 10.490 -11.308 2.691 1.00 0.00 H new ATOM 0 HH21 ARG B 4 9.096 -10.228 -0.269 1.00 0.00 H new ATOM 0 HH22 ARG B 4 9.051 -10.186 1.496 1.00 0.00 H new ATOM 904 N GLU B 5 9.662 -12.717 -4.864 1.00 0.00 N ATOM 905 CA GLU B 5 9.308 -11.631 -5.794 1.00 0.00 C ATOM 906 C GLU B 5 7.860 -11.141 -5.585 1.00 0.00 C ATOM 907 O GLU B 5 7.611 -9.938 -5.511 1.00 0.00 O ATOM 908 CB GLU B 5 9.518 -12.107 -7.242 1.00 0.00 C ATOM 909 CG GLU B 5 9.313 -11.007 -8.291 1.00 0.00 C ATOM 910 CD GLU B 5 9.403 -11.583 -9.718 1.00 0.00 C ATOM 911 OE1 GLU B 5 10.534 -11.790 -10.222 1.00 0.00 O ATOM 912 OE2 GLU B 5 8.344 -11.821 -10.349 1.00 0.00 O ATOM 0 H GLU B 5 9.782 -13.622 -5.320 1.00 0.00 H new ATOM 0 HA GLU B 5 9.962 -10.783 -5.591 1.00 0.00 H new ATOM 0 HB2 GLU B 5 10.527 -12.506 -7.340 1.00 0.00 H new ATOM 0 HB3 GLU B 5 8.829 -12.926 -7.449 1.00 0.00 H new ATOM 0 HG2 GLU B 5 8.341 -10.537 -8.145 1.00 0.00 H new ATOM 0 HG3 GLU B 5 10.066 -10.230 -8.160 1.00 0.00 H new ATOM 919 N LEU B 6 6.911 -12.075 -5.459 1.00 0.00 N ATOM 920 CA LEU B 6 5.471 -11.836 -5.314 1.00 0.00 C ATOM 921 C LEU B 6 5.122 -10.967 -4.097 1.00 0.00 C ATOM 922 O LEU B 6 4.475 -9.927 -4.237 1.00 0.00 O ATOM 923 CB LEU B 6 4.765 -13.209 -5.250 1.00 0.00 C ATOM 924 CG LEU B 6 4.045 -13.586 -6.549 1.00 0.00 C ATOM 925 CD1 LEU B 6 4.908 -13.581 -7.819 1.00 0.00 C ATOM 926 CD2 LEU B 6 3.442 -14.990 -6.434 1.00 0.00 C ATOM 0 H LEU B 6 7.138 -13.069 -5.455 1.00 0.00 H new ATOM 0 HA LEU B 6 5.122 -11.267 -6.176 1.00 0.00 H new ATOM 0 HB2 LEU B 6 5.502 -13.977 -5.016 1.00 0.00 H new ATOM 0 HB3 LEU B 6 4.043 -13.200 -4.433 1.00 0.00 H new ATOM 0 HG LEU B 6 3.295 -12.803 -6.661 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.296 -13.862 -8.676 1.00 0.00 H new ATOM 0 HD12 LEU B 6 5.317 -12.583 -7.977 1.00 0.00 H new ATOM 0 HD13 LEU B 6 5.725 -14.294 -7.707 1.00 0.00 H new ATOM 0 HD21 LEU B 6 2.934 -15.245 -7.364 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.236 -15.713 -6.245 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.727 -15.013 -5.612 1.00 0.00 H new ATOM 938 N LEU B 7 5.574 -11.377 -2.909 1.00 0.00 N ATOM 939 CA LEU B 7 5.397 -10.617 -1.661 1.00 0.00 C ATOM 940 C LEU B 7 6.001 -9.197 -1.727 1.00 0.00 C ATOM 941 O LEU B 7 5.386 -8.239 -1.249 1.00 0.00 O ATOM 942 CB LEU B 7 5.987 -11.368 -0.445 1.00 0.00 C ATOM 943 CG LEU B 7 5.081 -12.461 0.163 1.00 0.00 C ATOM 944 CD1 LEU B 7 5.381 -13.845 -0.402 1.00 0.00 C ATOM 945 CD2 LEU B 7 5.283 -12.551 1.677 1.00 0.00 C ATOM 0 H LEU B 7 6.079 -12.254 -2.781 1.00 0.00 H new ATOM 0 HA LEU B 7 4.319 -10.517 -1.535 1.00 0.00 H new ATOM 0 HB2 LEU B 7 6.929 -11.827 -0.745 1.00 0.00 H new ATOM 0 HB3 LEU B 7 6.220 -10.640 0.332 1.00 0.00 H new ATOM 0 HG LEU B 7 4.060 -12.172 -0.088 1.00 0.00 H new ATOM 0 HD11 LEU B 7 4.717 -14.577 0.058 1.00 0.00 H new ATOM 0 HD12 LEU B 7 5.224 -13.840 -1.481 1.00 0.00 H new ATOM 0 HD13 LEU B 7 6.417 -14.109 -0.188 1.00 0.00 H new ATOM 0 HD21 LEU B 7 4.635 -13.327 2.085 1.00 0.00 H new ATOM 0 HD22 LEU B 7 6.323 -12.797 1.891 1.00 0.00 H new ATOM 0 HD23 LEU B 7 5.035 -11.593 2.135 1.00 0.00 H new ATOM 957 N LYS B 8 7.204 -9.050 -2.304 1.00 0.00 N ATOM 958 CA LYS B 8 7.964 -7.785 -2.377 1.00 0.00 C ATOM 959 C LYS B 8 7.446 -6.869 -3.496 1.00 0.00 C ATOM 960 O LYS B 8 8.090 -6.681 -4.531 1.00 0.00 O ATOM 961 CB LYS B 8 9.465 -8.093 -2.497 1.00 0.00 C ATOM 962 CG LYS B 8 10.350 -6.848 -2.292 1.00 0.00 C ATOM 963 CD LYS B 8 11.854 -7.137 -2.414 1.00 0.00 C ATOM 964 CE LYS B 8 12.393 -7.958 -1.231 1.00 0.00 C ATOM 965 NZ LYS B 8 13.872 -8.105 -1.302 1.00 0.00 N ATOM 0 H LYS B 8 7.692 -9.829 -2.747 1.00 0.00 H new ATOM 0 HA LYS B 8 7.812 -7.224 -1.455 1.00 0.00 H new ATOM 0 HB2 LYS B 8 9.736 -8.850 -1.761 1.00 0.00 H new ATOM 0 HB3 LYS B 8 9.666 -8.518 -3.480 1.00 0.00 H new ATOM 0 HG2 LYS B 8 10.073 -6.091 -3.025 1.00 0.00 H new ATOM 0 HG3 LYS B 8 10.148 -6.427 -1.307 1.00 0.00 H new ATOM 0 HD2 LYS B 8 12.043 -7.676 -3.342 1.00 0.00 H new ATOM 0 HD3 LYS B 8 12.398 -6.195 -2.476 1.00 0.00 H new ATOM 0 HE2 LYS B 8 12.119 -7.473 -0.294 1.00 0.00 H new ATOM 0 HE3 LYS B 8 11.927 -8.944 -1.228 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 14.205 -8.664 -0.490 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 14.131 -8.590 -2.185 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 14.316 -7.165 -1.280 1.00 0.00 H new ATOM 979 N GLY B 9 6.258 -6.305 -3.288 1.00 0.00 N ATOM 980 CA GLY B 9 5.668 -5.339 -4.203 1.00 0.00 C ATOM 981 C GLY B 9 4.179 -5.083 -4.065 1.00 0.00 C ATOM 982 O GLY B 9 3.722 -3.962 -4.275 1.00 0.00 O ATOM 0 H GLY B 9 5.677 -6.509 -2.475 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.189 -4.390 -4.076 1.00 0.00 H new ATOM 0 HA3 GLY B 9 5.861 -5.675 -5.222 1.00 0.00 H new ATOM 986 N GLU B 10 3.423 -6.083 -3.624 1.00 0.00 N ATOM 987 CA GLU B 10 2.023 -5.895 -3.225 1.00 0.00 C ATOM 988 C GLU B 10 1.929 -4.846 -2.095 1.00 0.00 C ATOM 989 O GLU B 10 1.095 -3.945 -2.149 1.00 0.00 O ATOM 990 CB GLU B 10 1.448 -7.256 -2.798 1.00 0.00 C ATOM 991 CG GLU B 10 1.299 -8.283 -3.939 1.00 0.00 C ATOM 992 CD GLU B 10 0.045 -8.041 -4.781 1.00 0.00 C ATOM 993 OE1 GLU B 10 -0.303 -6.971 -5.306 1.00 0.00 O ATOM 994 OE2 GLU B 10 -0.955 -8.781 -4.830 1.00 0.00 O ATOM 0 H GLU B 10 3.756 -7.043 -3.532 1.00 0.00 H new ATOM 0 HA GLU B 10 1.435 -5.516 -4.061 1.00 0.00 H new ATOM 0 HB2 GLU B 10 2.092 -7.681 -2.028 1.00 0.00 H new ATOM 0 HB3 GLU B 10 0.471 -7.095 -2.343 1.00 0.00 H new ATOM 0 HG2 GLU B 10 2.179 -8.239 -4.581 1.00 0.00 H new ATOM 0 HG3 GLU B 10 1.262 -9.288 -3.518 1.00 0.00 H new ATOM 1001 N LEU B 11 2.871 -4.877 -1.142 1.00 0.00 N ATOM 1002 CA LEU B 11 3.056 -3.915 -0.053 1.00 0.00 C ATOM 1003 C LEU B 11 3.401 -2.504 -0.564 1.00 0.00 C ATOM 1004 O LEU B 11 2.860 -1.506 -0.084 1.00 0.00 O ATOM 1005 CB LEU B 11 4.108 -4.558 0.891 1.00 0.00 C ATOM 1006 CG LEU B 11 5.108 -3.613 1.567 1.00 0.00 C ATOM 1007 CD1 LEU B 11 4.472 -2.737 2.648 1.00 0.00 C ATOM 1008 CD2 LEU B 11 6.241 -4.412 2.214 1.00 0.00 C ATOM 0 H LEU B 11 3.566 -5.623 -1.112 1.00 0.00 H new ATOM 0 HA LEU B 11 2.136 -3.732 0.502 1.00 0.00 H new ATOM 0 HB2 LEU B 11 3.575 -5.102 1.671 1.00 0.00 H new ATOM 0 HB3 LEU B 11 4.672 -5.294 0.318 1.00 0.00 H new ATOM 0 HG LEU B 11 5.484 -2.963 0.777 1.00 0.00 H new ATOM 0 HD11 LEU B 11 5.233 -2.091 3.087 1.00 0.00 H new ATOM 0 HD12 LEU B 11 3.688 -2.124 2.204 1.00 0.00 H new ATOM 0 HD13 LEU B 11 4.042 -3.371 3.424 1.00 0.00 H new ATOM 0 HD21 LEU B 11 6.943 -3.728 2.690 1.00 0.00 H new ATOM 0 HD22 LEU B 11 5.828 -5.087 2.963 1.00 0.00 H new ATOM 0 HD23 LEU B 11 6.760 -4.991 1.450 1.00 0.00 H new ATOM 1020 N GLN B 12 4.249 -2.427 -1.588 1.00 0.00 N ATOM 1021 CA GLN B 12 4.618 -1.187 -2.274 1.00 0.00 C ATOM 1022 C GLN B 12 3.402 -0.545 -2.968 1.00 0.00 C ATOM 1023 O GLN B 12 3.329 0.677 -3.089 1.00 0.00 O ATOM 1024 CB GLN B 12 5.778 -1.464 -3.250 1.00 0.00 C ATOM 1025 CG GLN B 12 6.446 -0.186 -3.780 1.00 0.00 C ATOM 1026 CD GLN B 12 7.681 -0.507 -4.621 1.00 0.00 C ATOM 1027 OE1 GLN B 12 8.761 -0.785 -4.112 1.00 0.00 O ATOM 1028 NE2 GLN B 12 7.582 -0.493 -5.935 1.00 0.00 N ATOM 0 H GLN B 12 4.713 -3.249 -1.976 1.00 0.00 H new ATOM 0 HA GLN B 12 4.963 -0.459 -1.539 1.00 0.00 H new ATOM 0 HB2 GLN B 12 6.528 -2.076 -2.748 1.00 0.00 H new ATOM 0 HB3 GLN B 12 5.404 -2.046 -4.092 1.00 0.00 H new ATOM 0 HG2 GLN B 12 5.732 0.377 -4.381 1.00 0.00 H new ATOM 0 HG3 GLN B 12 6.730 0.451 -2.943 1.00 0.00 H new ATOM 0 HE21 GLN B 12 6.692 -0.264 -6.377 1.00 0.00 H new ATOM 0 HE22 GLN B 12 8.396 -0.711 -6.510 1.00 0.00 H new ATOM 1037 N GLY B 13 2.409 -1.359 -3.344 1.00 0.00 N ATOM 1038 CA GLY B 13 1.102 -0.912 -3.817 1.00 0.00 C ATOM 1039 C GLY B 13 0.228 -0.416 -2.665 1.00 0.00 C ATOM 1040 O GLY B 13 -0.255 0.713 -2.729 1.00 0.00 O ATOM 0 H GLY B 13 2.499 -2.375 -3.326 1.00 0.00 H new ATOM 0 HA2 GLY B 13 1.232 -0.113 -4.547 1.00 0.00 H new ATOM 0 HA3 GLY B 13 0.599 -1.732 -4.329 1.00 0.00 H new ATOM 1044 N ILE B 14 0.092 -1.198 -1.579 1.00 0.00 N ATOM 1045 CA ILE B 14 -0.729 -0.824 -0.402 1.00 0.00 C ATOM 1046 C ILE B 14 -0.357 0.578 0.089 1.00 0.00 C ATOM 1047 O ILE B 14 -1.224 1.445 0.242 1.00 0.00 O ATOM 1048 CB ILE B 14 -0.585 -1.831 0.773 1.00 0.00 C ATOM 1049 CG1 ILE B 14 -1.072 -3.252 0.427 1.00 0.00 C ATOM 1050 CG2 ILE B 14 -1.350 -1.352 2.026 1.00 0.00 C ATOM 1051 CD1 ILE B 14 -0.640 -4.318 1.445 1.00 0.00 C ATOM 0 H ILE B 14 0.546 -2.107 -1.488 1.00 0.00 H new ATOM 0 HA ILE B 14 -1.768 -0.842 -0.733 1.00 0.00 H new ATOM 0 HB ILE B 14 0.486 -1.874 0.973 1.00 0.00 H new ATOM 0 HG12 ILE B 14 -2.160 -3.247 0.359 1.00 0.00 H new ATOM 0 HG13 ILE B 14 -0.692 -3.527 -0.557 1.00 0.00 H new ATOM 0 HG21 ILE B 14 -1.227 -2.080 2.828 1.00 0.00 H new ATOM 0 HG22 ILE B 14 -0.955 -0.388 2.347 1.00 0.00 H new ATOM 0 HG23 ILE B 14 -2.409 -1.249 1.788 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -1.019 -5.292 1.135 1.00 0.00 H new ATOM 0 HD12 ILE B 14 0.448 -4.352 1.497 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -1.042 -4.068 2.427 1.00 0.00 H new ATOM 1063 N LYS B 15 0.943 0.810 0.318 1.00 0.00 N ATOM 1064 CA LYS B 15 1.422 2.045 0.944 1.00 0.00 C ATOM 1065 C LYS B 15 1.233 3.273 0.050 1.00 0.00 C ATOM 1066 O LYS B 15 0.857 4.341 0.530 1.00 0.00 O ATOM 1067 CB LYS B 15 2.877 1.869 1.411 1.00 0.00 C ATOM 1068 CG LYS B 15 3.223 2.925 2.473 1.00 0.00 C ATOM 1069 CD LYS B 15 4.638 2.740 3.037 1.00 0.00 C ATOM 1070 CE LYS B 15 4.893 3.656 4.244 1.00 0.00 C ATOM 1071 NZ LYS B 15 4.852 5.102 3.890 1.00 0.00 N ATOM 0 H LYS B 15 1.684 0.152 0.076 1.00 0.00 H new ATOM 0 HA LYS B 15 0.807 2.238 1.823 1.00 0.00 H new ATOM 0 HB2 LYS B 15 3.017 0.869 1.822 1.00 0.00 H new ATOM 0 HB3 LYS B 15 3.553 1.961 0.561 1.00 0.00 H new ATOM 0 HG2 LYS B 15 3.136 3.920 2.036 1.00 0.00 H new ATOM 0 HG3 LYS B 15 2.500 2.870 3.287 1.00 0.00 H new ATOM 0 HD2 LYS B 15 4.779 1.700 3.333 1.00 0.00 H new ATOM 0 HD3 LYS B 15 5.371 2.952 2.258 1.00 0.00 H new ATOM 0 HE2 LYS B 15 4.147 3.453 5.012 1.00 0.00 H new ATOM 0 HE3 LYS B 15 5.866 3.420 4.675 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 5.030 5.673 4.741 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 5.581 5.306 3.177 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 3.916 5.339 3.504 1.00 0.00 H new ATOM 1085 N GLN B 16 1.426 3.106 -1.257 1.00 0.00 N ATOM 1086 CA GLN B 16 1.262 4.163 -2.246 1.00 0.00 C ATOM 1087 C GLN B 16 -0.205 4.508 -2.487 1.00 0.00 C ATOM 1088 O GLN B 16 -0.555 5.686 -2.558 1.00 0.00 O ATOM 1089 CB GLN B 16 1.946 3.732 -3.551 1.00 0.00 C ATOM 1090 CG GLN B 16 3.484 3.824 -3.532 1.00 0.00 C ATOM 1091 CD GLN B 16 4.006 5.263 -3.555 1.00 0.00 C ATOM 1092 OE1 GLN B 16 3.926 6.001 -2.581 1.00 0.00 O ATOM 1093 NE2 GLN B 16 4.574 5.726 -4.650 1.00 0.00 N ATOM 0 H GLN B 16 1.706 2.213 -1.663 1.00 0.00 H new ATOM 0 HA GLN B 16 1.730 5.070 -1.864 1.00 0.00 H new ATOM 0 HB2 GLN B 16 1.660 2.704 -3.773 1.00 0.00 H new ATOM 0 HB3 GLN B 16 1.568 4.351 -4.365 1.00 0.00 H new ATOM 0 HG2 GLN B 16 3.860 3.323 -2.640 1.00 0.00 H new ATOM 0 HG3 GLN B 16 3.884 3.286 -4.392 1.00 0.00 H new ATOM 0 HE21 GLN B 16 4.653 5.131 -5.475 1.00 0.00 H new ATOM 0 HE22 GLN B 16 4.935 6.680 -4.673 1.00 0.00 H new ATOM 1102 N TYR B 17 -1.085 3.506 -2.531 1.00 0.00 N ATOM 1103 CA TYR B 17 -2.520 3.726 -2.655 1.00 0.00 C ATOM 1104 C TYR B 17 -3.099 4.511 -1.478 1.00 0.00 C ATOM 1105 O TYR B 17 -3.973 5.356 -1.682 1.00 0.00 O ATOM 1106 CB TYR B 17 -3.252 2.389 -2.786 1.00 0.00 C ATOM 1107 CG TYR B 17 -3.181 1.740 -4.160 1.00 0.00 C ATOM 1108 CD1 TYR B 17 -3.488 2.492 -5.311 1.00 0.00 C ATOM 1109 CD2 TYR B 17 -2.858 0.373 -4.287 1.00 0.00 C ATOM 1110 CE1 TYR B 17 -3.464 1.887 -6.578 1.00 0.00 C ATOM 1111 CE2 TYR B 17 -2.823 -0.235 -5.557 1.00 0.00 C ATOM 1112 CZ TYR B 17 -3.143 0.522 -6.707 1.00 0.00 C ATOM 1113 OH TYR B 17 -3.261 -0.074 -7.922 1.00 0.00 O ATOM 0 H TYR B 17 -0.820 2.522 -2.482 1.00 0.00 H new ATOM 0 HA TYR B 17 -2.669 4.324 -3.554 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -2.840 1.695 -2.053 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -4.300 2.541 -2.528 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -3.743 3.537 -5.219 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -2.636 -0.211 -3.406 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -3.693 2.471 -7.457 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -2.553 -1.276 -5.652 1.00 0.00 H new ATOM 0 HH TYR B 17 -3.223 -1.047 -7.814 1.00 0.00 H new ATOM 1123 N ARG B 18 -2.605 4.280 -0.254 1.00 0.00 N ATOM 1124 CA ARG B 18 -3.127 4.996 0.919 1.00 0.00 C ATOM 1125 C ARG B 18 -2.834 6.505 0.876 1.00 0.00 C ATOM 1126 O ARG B 18 -3.645 7.303 1.345 1.00 0.00 O ATOM 1127 CB ARG B 18 -2.662 4.333 2.218 1.00 0.00 C ATOM 1128 CG ARG B 18 -3.683 4.576 3.341 1.00 0.00 C ATOM 1129 CD ARG B 18 -3.258 3.937 4.665 1.00 0.00 C ATOM 1130 NE ARG B 18 -4.323 4.083 5.679 1.00 0.00 N ATOM 1131 CZ ARG B 18 -4.215 3.914 6.985 1.00 0.00 C ATOM 1132 NH1 ARG B 18 -3.089 3.586 7.555 1.00 0.00 N ATOM 1133 NH2 ARG B 18 -5.255 4.075 7.753 1.00 0.00 N ATOM 0 H ARG B 18 -1.858 3.616 -0.051 1.00 0.00 H new ATOM 0 HA ARG B 18 -4.214 4.918 0.890 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -2.533 3.262 2.061 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -1.690 4.732 2.509 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -3.813 5.649 3.484 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -4.651 4.174 3.041 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -3.038 2.881 4.511 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -2.341 4.405 5.023 1.00 0.00 H new ATOM 0 HE ARG B 18 -5.246 4.344 5.331 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -2.251 3.451 6.989 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -3.046 3.465 8.567 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -6.154 4.332 7.346 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -5.170 3.944 8.761 1.00 0.00 H new ATOM 1147 N GLU B 19 -1.728 6.902 0.243 1.00 0.00 N ATOM 1148 CA GLU B 19 -1.382 8.297 -0.043 1.00 0.00 C ATOM 1149 C GLU B 19 -2.095 8.852 -1.297 1.00 0.00 C ATOM 1150 O GLU B 19 -2.443 10.028 -1.343 1.00 0.00 O ATOM 1151 CB GLU B 19 0.144 8.373 -0.238 1.00 0.00 C ATOM 1152 CG GLU B 19 0.913 8.900 0.983 1.00 0.00 C ATOM 1153 CD GLU B 19 0.957 7.908 2.166 1.00 0.00 C ATOM 1154 OE1 GLU B 19 -0.030 7.828 2.936 1.00 0.00 O ATOM 1155 OE2 GLU B 19 2.006 7.246 2.369 1.00 0.00 O ATOM 0 H GLU B 19 -1.027 6.242 -0.095 1.00 0.00 H new ATOM 0 HA GLU B 19 -1.713 8.910 0.795 1.00 0.00 H new ATOM 0 HB2 GLU B 19 0.517 7.379 -0.486 1.00 0.00 H new ATOM 0 HB3 GLU B 19 0.358 9.016 -1.092 1.00 0.00 H new ATOM 0 HG2 GLU B 19 1.933 9.139 0.683 1.00 0.00 H new ATOM 0 HG3 GLU B 19 0.453 9.830 1.317 1.00 0.00 H new ATOM 1162 N ALA B 20 -2.336 8.026 -2.317 1.00 0.00 N ATOM 1163 CA ALA B 20 -2.870 8.408 -3.630 1.00 0.00 C ATOM 1164 C ALA B 20 -4.284 9.008 -3.574 1.00 0.00 C ATOM 1165 O ALA B 20 -4.638 9.837 -4.417 1.00 0.00 O ATOM 1166 CB ALA B 20 -2.826 7.191 -4.562 1.00 0.00 C ATOM 0 H ALA B 20 -2.156 7.024 -2.249 1.00 0.00 H new ATOM 0 HA ALA B 20 -2.236 9.205 -4.018 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -3.221 7.467 -5.540 1.00 0.00 H new ATOM 0 HB2 ALA B 20 -1.796 6.852 -4.670 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -3.430 6.388 -4.140 1.00 0.00 H new ATOM 1172 N LEU B 21 -5.085 8.654 -2.563 1.00 0.00 N ATOM 1173 CA LEU B 21 -6.381 9.285 -2.295 1.00 0.00 C ATOM 1174 C LEU B 21 -6.256 10.790 -2.012 1.00 0.00 C ATOM 1175 O LEU B 21 -7.212 11.521 -2.256 1.00 0.00 O ATOM 1176 CB LEU B 21 -7.119 8.499 -1.198 1.00 0.00 C ATOM 1177 CG LEU B 21 -8.610 8.857 -1.023 1.00 0.00 C ATOM 1178 CD1 LEU B 21 -9.418 7.607 -0.666 1.00 0.00 C ATOM 1179 CD2 LEU B 21 -8.843 9.872 0.101 1.00 0.00 C ATOM 0 H LEU B 21 -4.849 7.914 -1.902 1.00 0.00 H new ATOM 0 HA LEU B 21 -6.993 9.237 -3.196 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -7.041 7.435 -1.421 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -6.608 8.664 -0.249 1.00 0.00 H new ATOM 0 HG LEU B 21 -8.928 9.287 -1.973 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -10.468 7.874 -0.546 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -9.320 6.871 -1.464 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -9.042 7.185 0.266 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -9.908 10.088 0.181 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -8.485 9.459 1.044 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -8.302 10.792 -0.121 1.00 0.00 H new ATOM 1191 N GLU B 22 -5.084 11.298 -1.614 1.00 0.00 N ATOM 1192 CA GLU B 22 -4.877 12.749 -1.481 1.00 0.00 C ATOM 1193 C GLU B 22 -4.957 13.518 -2.811 1.00 0.00 C ATOM 1194 O GLU B 22 -5.349 14.687 -2.828 1.00 0.00 O ATOM 1195 CB GLU B 22 -3.514 13.025 -0.848 1.00 0.00 C ATOM 1196 CG GLU B 22 -3.497 12.735 0.658 1.00 0.00 C ATOM 1197 CD GLU B 22 -2.195 13.235 1.310 1.00 0.00 C ATOM 1198 OE1 GLU B 22 -2.101 14.448 1.628 1.00 0.00 O ATOM 1199 OE2 GLU B 22 -1.261 12.427 1.530 1.00 0.00 O ATOM 0 H GLU B 22 -4.268 10.732 -1.379 1.00 0.00 H new ATOM 0 HA GLU B 22 -5.692 13.105 -0.851 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -2.758 12.414 -1.341 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -3.243 14.067 -1.017 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -4.352 13.216 1.133 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -3.601 11.663 0.825 1.00 0.00 H new ATOM 1206 N TYR B 23 -4.634 12.848 -3.915 1.00 0.00 N ATOM 1207 CA TYR B 23 -4.716 13.379 -5.285 1.00 0.00 C ATOM 1208 C TYR B 23 -5.914 12.848 -6.095 1.00 0.00 C ATOM 1209 O TYR B 23 -6.296 13.478 -7.083 1.00 0.00 O ATOM 1210 CB TYR B 23 -3.398 13.094 -6.018 1.00 0.00 C ATOM 1211 CG TYR B 23 -2.227 13.902 -5.491 1.00 0.00 C ATOM 1212 CD1 TYR B 23 -2.104 15.259 -5.849 1.00 0.00 C ATOM 1213 CD2 TYR B 23 -1.274 13.311 -4.639 1.00 0.00 C ATOM 1214 CE1 TYR B 23 -1.031 16.026 -5.356 1.00 0.00 C ATOM 1215 CE2 TYR B 23 -0.196 14.074 -4.146 1.00 0.00 C ATOM 1216 CZ TYR B 23 -0.073 15.436 -4.505 1.00 0.00 C ATOM 1217 OH TYR B 23 0.960 16.188 -4.031 1.00 0.00 O ATOM 0 H TYR B 23 -4.295 11.886 -3.885 1.00 0.00 H new ATOM 0 HA TYR B 23 -4.881 14.453 -5.198 1.00 0.00 H new ATOM 0 HB2 TYR B 23 -3.165 12.033 -5.932 1.00 0.00 H new ATOM 0 HB3 TYR B 23 -3.528 13.307 -7.079 1.00 0.00 H new ATOM 0 HD1 TYR B 23 -2.834 15.712 -6.503 1.00 0.00 H new ATOM 0 HD2 TYR B 23 -1.369 12.271 -4.363 1.00 0.00 H new ATOM 0 HE1 TYR B 23 -0.941 17.067 -5.630 1.00 0.00 H new ATOM 0 HE2 TYR B 23 0.535 13.619 -3.495 1.00 0.00 H new ATOM 0 HH TYR B 23 1.531 15.635 -3.458 1.00 0.00 H new ATOM 1227 N THR B 24 -6.543 11.742 -5.676 1.00 0.00 N ATOM 1228 CA THR B 24 -7.642 11.086 -6.423 1.00 0.00 C ATOM 1229 C THR B 24 -9.002 11.119 -5.719 1.00 0.00 C ATOM 1230 O THR B 24 -10.021 11.012 -6.399 1.00 0.00 O ATOM 1231 CB THR B 24 -7.301 9.630 -6.778 1.00 0.00 C ATOM 1232 OG1 THR B 24 -7.062 8.896 -5.606 1.00 0.00 O ATOM 1233 CG2 THR B 24 -6.060 9.489 -7.660 1.00 0.00 C ATOM 0 H THR B 24 -6.307 11.268 -4.804 1.00 0.00 H new ATOM 0 HA THR B 24 -7.736 11.684 -7.330 1.00 0.00 H new ATOM 0 HB THR B 24 -8.161 9.254 -7.332 1.00 0.00 H new ATOM 0 HG1 THR B 24 -6.224 9.197 -5.197 1.00 0.00 H new ATOM 0 HG21 THR B 24 -5.881 8.435 -7.870 1.00 0.00 H new ATOM 0 HG22 THR B 24 -6.217 10.024 -8.597 1.00 0.00 H new ATOM 0 HG23 THR B 24 -5.197 9.908 -7.143 1.00 0.00 H new ATOM 1241 N HIS B 25 -9.053 11.322 -4.394 1.00 0.00 N ATOM 1242 CA HIS B 25 -10.267 11.503 -3.565 1.00 0.00 C ATOM 1243 C HIS B 25 -11.421 10.496 -3.847 1.00 0.00 C ATOM 1244 O HIS B 25 -12.595 10.867 -3.787 1.00 0.00 O ATOM 1245 CB HIS B 25 -10.693 12.987 -3.626 1.00 0.00 C ATOM 1246 CG HIS B 25 -9.811 13.877 -2.782 1.00 0.00 C ATOM 1247 ND1 HIS B 25 -10.141 14.403 -1.543 1.00 0.00 N ATOM 1248 CD2 HIS B 25 -8.520 14.238 -3.051 1.00 0.00 C ATOM 1249 CE1 HIS B 25 -9.068 15.070 -1.072 1.00 0.00 C ATOM 1250 NE2 HIS B 25 -8.075 14.990 -1.981 1.00 0.00 N ATOM 0 H HIS B 25 -8.202 11.368 -3.834 1.00 0.00 H new ATOM 0 HA HIS B 25 -10.007 11.251 -2.537 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -10.664 13.328 -4.661 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -11.726 13.079 -3.289 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -7.954 13.983 -3.935 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -9.013 15.583 -0.123 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -7.151 15.413 -1.893 1.00 0.00 H new ATOM 1259 N ASN B 26 -11.118 9.231 -4.183 1.00 0.00 N ATOM 1260 CA ASN B 26 -12.093 8.257 -4.720 1.00 0.00 C ATOM 1261 C ASN B 26 -12.231 6.954 -3.902 1.00 0.00 C ATOM 1262 O ASN B 26 -11.234 6.439 -3.389 1.00 0.00 O ATOM 1263 CB ASN B 26 -11.735 7.958 -6.187 1.00 0.00 C ATOM 1264 CG ASN B 26 -12.651 8.701 -7.150 1.00 0.00 C ATOM 1265 OD1 ASN B 26 -13.709 8.217 -7.523 1.00 0.00 O ATOM 1266 ND2 ASN B 26 -12.309 9.896 -7.562 1.00 0.00 N ATOM 0 H ASN B 26 -10.177 8.848 -4.089 1.00 0.00 H new ATOM 0 HA ASN B 26 -13.076 8.722 -4.646 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -10.700 8.243 -6.375 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -11.808 6.886 -6.369 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -12.924 10.415 -8.189 1.00 0.00 H new ATOM 0 HD22 ASN B 26 -11.428 10.308 -7.256 1.00 0.00 H new ATOM 1273 N PRO B 27 -13.444 6.355 -3.842 1.00 0.00 N ATOM 1274 CA PRO B 27 -13.706 5.114 -3.111 1.00 0.00 C ATOM 1275 C PRO B 27 -13.188 3.854 -3.822 1.00 0.00 C ATOM 1276 O PRO B 27 -13.194 2.780 -3.222 1.00 0.00 O ATOM 1277 CB PRO B 27 -15.228 5.061 -2.938 1.00 0.00 C ATOM 1278 CG PRO B 27 -15.736 5.749 -4.201 1.00 0.00 C ATOM 1279 CD PRO B 27 -14.694 6.843 -4.423 1.00 0.00 C ATOM 0 HA PRO B 27 -13.172 5.122 -2.161 1.00 0.00 H new ATOM 0 HB2 PRO B 27 -15.591 4.036 -2.862 1.00 0.00 H new ATOM 0 HB3 PRO B 27 -15.551 5.581 -2.036 1.00 0.00 H new ATOM 0 HG2 PRO B 27 -15.788 5.061 -5.045 1.00 0.00 H new ATOM 0 HG3 PRO B 27 -16.735 6.162 -4.064 1.00 0.00 H new ATOM 0 HD2 PRO B 27 -14.572 7.051 -5.486 1.00 0.00 H new ATOM 0 HD3 PRO B 27 -15.004 7.775 -3.949 1.00 0.00 H new ATOM 1287 N VAL B 28 -12.705 3.937 -5.070 1.00 0.00 N ATOM 1288 CA VAL B 28 -12.090 2.806 -5.764 1.00 0.00 C ATOM 1289 C VAL B 28 -10.866 2.281 -5.034 1.00 0.00 C ATOM 1290 O VAL B 28 -10.687 1.073 -4.932 1.00 0.00 O ATOM 1291 CB VAL B 28 -11.753 3.182 -7.211 1.00 0.00 C ATOM 1292 CG1 VAL B 28 -12.997 3.621 -7.993 1.00 0.00 C ATOM 1293 CG2 VAL B 28 -10.633 4.216 -7.377 1.00 0.00 C ATOM 0 H VAL B 28 -12.732 4.793 -5.624 1.00 0.00 H new ATOM 0 HA VAL B 28 -12.819 1.996 -5.777 1.00 0.00 H new ATOM 0 HB VAL B 28 -11.364 2.256 -7.633 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -12.713 3.879 -9.013 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -13.721 2.806 -8.012 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -13.442 4.491 -7.510 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -10.473 4.412 -8.437 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -10.915 5.142 -6.875 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -9.714 3.830 -6.936 1.00 0.00 H new ATOM 1303 N LEU B 29 -10.068 3.158 -4.422 1.00 0.00 N ATOM 1304 CA LEU B 29 -8.927 2.757 -3.614 1.00 0.00 C ATOM 1305 C LEU B 29 -9.343 1.977 -2.357 1.00 0.00 C ATOM 1306 O LEU B 29 -8.642 1.046 -1.968 1.00 0.00 O ATOM 1307 CB LEU B 29 -8.071 3.972 -3.260 1.00 0.00 C ATOM 1308 CG LEU B 29 -7.472 4.721 -4.467 1.00 0.00 C ATOM 1309 CD1 LEU B 29 -8.332 5.903 -4.920 1.00 0.00 C ATOM 1310 CD2 LEU B 29 -6.097 5.284 -4.129 1.00 0.00 C ATOM 0 H LEU B 29 -10.200 4.168 -4.476 1.00 0.00 H new ATOM 0 HA LEU B 29 -8.326 2.073 -4.214 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -8.678 4.670 -2.683 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -7.257 3.648 -2.612 1.00 0.00 H new ATOM 0 HG LEU B 29 -7.418 3.982 -5.266 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -7.860 6.391 -5.772 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -9.320 5.545 -5.209 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -8.430 6.617 -4.102 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -5.695 5.808 -4.996 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -6.184 5.979 -3.293 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -5.427 4.469 -3.855 1.00 0.00 H new ATOM 1322 N ALA B 30 -10.525 2.264 -1.799 1.00 0.00 N ATOM 1323 CA ALA B 30 -11.160 1.468 -0.743 1.00 0.00 C ATOM 1324 C ALA B 30 -11.679 0.087 -1.225 1.00 0.00 C ATOM 1325 O ALA B 30 -12.282 -0.648 -0.441 1.00 0.00 O ATOM 1326 CB ALA B 30 -12.255 2.308 -0.069 1.00 0.00 C ATOM 0 H ALA B 30 -11.079 3.075 -2.076 1.00 0.00 H new ATOM 0 HA ALA B 30 -10.395 1.219 -0.007 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -12.731 1.722 0.717 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -11.811 3.204 0.365 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -13.001 2.595 -0.810 1.00 0.00 H new ATOM 1332 N LYS B 31 -11.399 -0.295 -2.482 1.00 0.00 N ATOM 1333 CA LYS B 31 -11.444 -1.666 -3.005 1.00 0.00 C ATOM 1334 C LYS B 31 -10.073 -2.137 -3.506 1.00 0.00 C ATOM 1335 O LYS B 31 -9.676 -3.254 -3.193 1.00 0.00 O ATOM 1336 CB LYS B 31 -12.512 -1.818 -4.101 1.00 0.00 C ATOM 1337 CG LYS B 31 -13.916 -1.398 -3.633 1.00 0.00 C ATOM 1338 CD LYS B 31 -15.027 -1.884 -4.580 1.00 0.00 C ATOM 1339 CE LYS B 31 -15.245 -3.409 -4.563 1.00 0.00 C ATOM 1340 NZ LYS B 31 -15.743 -3.899 -3.247 1.00 0.00 N ATOM 0 H LYS B 31 -11.121 0.380 -3.195 1.00 0.00 H new ATOM 0 HA LYS B 31 -11.725 -2.310 -2.172 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -12.227 -1.216 -4.964 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -12.540 -2.856 -4.432 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -14.096 -1.796 -2.634 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -13.959 -0.312 -3.556 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -15.961 -1.391 -4.310 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -14.785 -1.574 -5.596 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -15.958 -3.680 -5.342 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -14.307 -3.910 -4.802 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -15.954 -4.915 -3.312 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -15.016 -3.742 -2.520 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -16.608 -3.382 -2.989 1.00 0.00 H new ATOM 1354 N ILE B 32 -9.310 -1.278 -4.193 1.00 0.00 N ATOM 1355 CA ILE B 32 -7.953 -1.585 -4.688 1.00 0.00 C ATOM 1356 C ILE B 32 -7.022 -1.940 -3.526 1.00 0.00 C ATOM 1357 O ILE B 32 -6.647 -3.103 -3.383 1.00 0.00 O ATOM 1358 CB ILE B 32 -7.370 -0.462 -5.575 1.00 0.00 C ATOM 1359 CG1 ILE B 32 -8.233 -0.084 -6.802 1.00 0.00 C ATOM 1360 CG2 ILE B 32 -6.013 -0.935 -6.102 1.00 0.00 C ATOM 1361 CD1 ILE B 32 -7.884 1.311 -7.347 1.00 0.00 C ATOM 0 H ILE B 32 -9.619 -0.334 -4.427 1.00 0.00 H new ATOM 0 HA ILE B 32 -8.036 -2.458 -5.335 1.00 0.00 H new ATOM 0 HB ILE B 32 -7.316 0.425 -4.944 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -8.090 -0.826 -7.588 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -9.287 -0.112 -6.526 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -5.577 -0.160 -6.733 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -5.347 -1.137 -5.263 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -6.147 -1.846 -6.686 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -8.515 1.534 -8.208 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -8.053 2.057 -6.571 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -6.837 1.332 -7.649 1.00 0.00 H new ATOM 1373 N LEU B 33 -6.685 -0.975 -2.661 1.00 0.00 N ATOM 1374 CA LEU B 33 -5.796 -1.222 -1.519 1.00 0.00 C ATOM 1375 C LEU B 33 -6.441 -2.133 -0.476 1.00 0.00 C ATOM 1376 O LEU B 33 -5.731 -2.856 0.221 1.00 0.00 O ATOM 1377 CB LEU B 33 -5.234 0.097 -0.959 1.00 0.00 C ATOM 1378 CG LEU B 33 -6.016 0.808 0.162 1.00 0.00 C ATOM 1379 CD1 LEU B 33 -5.641 0.321 1.567 1.00 0.00 C ATOM 1380 CD2 LEU B 33 -5.719 2.308 0.138 1.00 0.00 C ATOM 0 H LEU B 33 -7.016 -0.013 -2.731 1.00 0.00 H new ATOM 0 HA LEU B 33 -4.930 -1.783 -1.870 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -4.228 -0.101 -0.588 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -5.136 0.796 -1.790 1.00 0.00 H new ATOM 0 HG LEU B 33 -7.065 0.584 -0.030 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -6.228 0.863 2.309 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -5.847 -0.746 1.649 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -4.580 0.500 1.743 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -6.276 2.802 0.934 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -4.652 2.470 0.288 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -6.017 2.723 -0.825 1.00 0.00 H new ATOM 1392 N GLU B 34 -7.778 -2.153 -0.418 1.00 0.00 N ATOM 1393 CA GLU B 34 -8.496 -3.129 0.397 1.00 0.00 C ATOM 1394 C GLU B 34 -8.153 -4.569 -0.018 1.00 0.00 C ATOM 1395 O GLU B 34 -7.918 -5.400 0.855 1.00 0.00 O ATOM 1396 CB GLU B 34 -10.010 -2.872 0.370 1.00 0.00 C ATOM 1397 CG GLU B 34 -10.780 -3.802 1.319 1.00 0.00 C ATOM 1398 CD GLU B 34 -12.292 -3.497 1.335 1.00 0.00 C ATOM 1399 OE1 GLU B 34 -13.021 -3.965 0.425 1.00 0.00 O ATOM 1400 OE2 GLU B 34 -12.771 -2.841 2.293 1.00 0.00 O ATOM 0 H GLU B 34 -8.380 -1.504 -0.926 1.00 0.00 H new ATOM 0 HA GLU B 34 -8.166 -3.006 1.428 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -10.205 -1.835 0.645 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -10.380 -3.007 -0.646 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -10.623 -4.837 1.017 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -10.380 -3.701 2.328 1.00 0.00 H new ATOM 1407 N ASP B 35 -8.050 -4.872 -1.319 1.00 0.00 N ATOM 1408 CA ASP B 35 -7.696 -6.210 -1.793 1.00 0.00 C ATOM 1409 C ASP B 35 -6.208 -6.538 -1.640 1.00 0.00 C ATOM 1410 O ASP B 35 -5.876 -7.627 -1.174 1.00 0.00 O ATOM 1411 CB ASP B 35 -8.063 -6.365 -3.265 1.00 0.00 C ATOM 1412 CG ASP B 35 -9.556 -6.294 -3.619 1.00 0.00 C ATOM 1413 OD1 ASP B 35 -10.415 -6.671 -2.783 1.00 0.00 O ATOM 1414 OD2 ASP B 35 -9.845 -5.921 -4.783 1.00 0.00 O ATOM 0 H ASP B 35 -8.210 -4.197 -2.067 1.00 0.00 H new ATOM 0 HA ASP B 35 -8.261 -6.902 -1.168 1.00 0.00 H new ATOM 0 HB2 ASP B 35 -7.543 -5.590 -3.828 1.00 0.00 H new ATOM 0 HB3 ASP B 35 -7.677 -7.324 -3.612 1.00 0.00 H new ATOM 1419 N GLU B 36 -5.301 -5.607 -1.966 1.00 0.00 N ATOM 1420 CA GLU B 36 -3.859 -5.788 -1.735 1.00 0.00 C ATOM 1421 C GLU B 36 -3.535 -6.121 -0.266 1.00 0.00 C ATOM 1422 O GLU B 36 -2.546 -6.802 0.002 1.00 0.00 O ATOM 1423 CB GLU B 36 -3.088 -4.519 -2.151 1.00 0.00 C ATOM 1424 CG GLU B 36 -3.334 -3.941 -3.556 1.00 0.00 C ATOM 1425 CD GLU B 36 -2.929 -4.867 -4.712 1.00 0.00 C ATOM 1426 OE1 GLU B 36 -2.631 -6.068 -4.513 1.00 0.00 O ATOM 1427 OE2 GLU B 36 -2.923 -4.464 -5.907 1.00 0.00 O ATOM 0 H GLU B 36 -5.542 -4.713 -2.394 1.00 0.00 H new ATOM 0 HA GLU B 36 -3.546 -6.635 -2.346 1.00 0.00 H new ATOM 0 HB2 GLU B 36 -3.318 -3.738 -1.426 1.00 0.00 H new ATOM 0 HB3 GLU B 36 -2.023 -4.733 -2.062 1.00 0.00 H new ATOM 0 HG2 GLU B 36 -4.393 -3.701 -3.655 1.00 0.00 H new ATOM 0 HG3 GLU B 36 -2.785 -3.004 -3.650 1.00 0.00 H new ATOM 1434 N GLU B 37 -4.394 -5.716 0.679 1.00 0.00 N ATOM 1435 CA GLU B 37 -4.247 -6.034 2.106 1.00 0.00 C ATOM 1436 C GLU B 37 -4.448 -7.534 2.391 1.00 0.00 C ATOM 1437 O GLU B 37 -3.804 -8.090 3.285 1.00 0.00 O ATOM 1438 CB GLU B 37 -5.237 -5.191 2.929 1.00 0.00 C ATOM 1439 CG GLU B 37 -4.865 -5.127 4.415 1.00 0.00 C ATOM 1440 CD GLU B 37 -5.843 -4.225 5.194 1.00 0.00 C ATOM 1441 OE1 GLU B 37 -6.904 -4.720 5.649 1.00 0.00 O ATOM 1442 OE2 GLU B 37 -5.549 -3.018 5.380 1.00 0.00 O ATOM 0 H GLU B 37 -5.219 -5.153 0.472 1.00 0.00 H new ATOM 0 HA GLU B 37 -3.226 -5.789 2.400 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -5.272 -4.180 2.523 1.00 0.00 H new ATOM 0 HB3 GLU B 37 -6.238 -5.610 2.827 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -4.875 -6.131 4.839 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -3.850 -4.746 4.523 1.00 0.00 H new ATOM 1449 N LYS B 38 -5.297 -8.205 1.597 1.00 0.00 N ATOM 1450 CA LYS B 38 -5.449 -9.668 1.611 1.00 0.00 C ATOM 1451 C LYS B 38 -4.378 -10.364 0.791 1.00 0.00 C ATOM 1452 O LYS B 38 -3.851 -11.364 1.255 1.00 0.00 O ATOM 1453 CB LYS B 38 -6.806 -10.135 1.063 1.00 0.00 C ATOM 1454 CG LYS B 38 -8.019 -9.692 1.886 1.00 0.00 C ATOM 1455 CD LYS B 38 -8.739 -8.492 1.263 1.00 0.00 C ATOM 1456 CE LYS B 38 -9.650 -8.877 0.088 1.00 0.00 C ATOM 1457 NZ LYS B 38 -10.942 -9.451 0.549 1.00 0.00 N ATOM 0 H LYS B 38 -5.904 -7.742 0.920 1.00 0.00 H new ATOM 0 HA LYS B 38 -5.363 -9.937 2.664 1.00 0.00 H new ATOM 0 HB2 LYS B 38 -6.919 -9.761 0.045 1.00 0.00 H new ATOM 0 HB3 LYS B 38 -6.803 -11.223 1.004 1.00 0.00 H new ATOM 0 HG2 LYS B 38 -8.717 -10.524 1.977 1.00 0.00 H new ATOM 0 HG3 LYS B 38 -7.696 -9.435 2.895 1.00 0.00 H new ATOM 0 HD2 LYS B 38 -9.335 -7.996 2.029 1.00 0.00 H new ATOM 0 HD3 LYS B 38 -7.998 -7.770 0.919 1.00 0.00 H new ATOM 0 HE2 LYS B 38 -9.843 -7.996 -0.525 1.00 0.00 H new ATOM 0 HE3 LYS B 38 -9.138 -9.601 -0.546 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 -11.526 -9.697 -0.275 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 -10.761 -10.306 1.112 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 -11.444 -8.752 1.133 1.00 0.00 H new ATOM 1471 N HIS B 39 -4.060 -9.869 -0.408 1.00 0.00 N ATOM 1472 CA HIS B 39 -3.281 -10.551 -1.437 1.00 0.00 C ATOM 1473 C HIS B 39 -1.984 -11.202 -0.943 1.00 0.00 C ATOM 1474 O HIS B 39 -1.700 -12.350 -1.285 1.00 0.00 O ATOM 1475 CB HIS B 39 -2.976 -9.505 -2.504 1.00 0.00 C ATOM 1476 CG HIS B 39 -4.059 -9.219 -3.503 1.00 0.00 C ATOM 1477 ND1 HIS B 39 -3.853 -8.495 -4.684 1.00 0.00 N ATOM 1478 CD2 HIS B 39 -5.374 -9.559 -3.400 1.00 0.00 C ATOM 1479 CE1 HIS B 39 -5.074 -8.398 -5.244 1.00 0.00 C ATOM 1480 NE2 HIS B 39 -5.992 -9.055 -4.515 1.00 0.00 N ATOM 0 H HIS B 39 -4.354 -8.937 -0.699 1.00 0.00 H new ATOM 0 HA HIS B 39 -3.870 -11.388 -1.813 1.00 0.00 H new ATOM 0 HB2 HIS B 39 -2.723 -8.571 -2.001 1.00 0.00 H new ATOM 0 HB3 HIS B 39 -2.088 -9.825 -3.049 1.00 0.00 H new ATOM 0 HD2 HIS B 39 -5.838 -10.115 -2.599 1.00 0.00 H new ATOM 0 HE1 HIS B 39 -5.287 -7.863 -6.158 1.00 0.00 H new ATOM 0 HE2 HIS B 39 -6.979 -9.161 -4.751 1.00 0.00 H new ATOM 1488 N ILE B 40 -1.225 -10.484 -0.111 1.00 0.00 N ATOM 1489 CA ILE B 40 0.014 -11.012 0.494 1.00 0.00 C ATOM 1490 C ILE B 40 -0.272 -12.235 1.377 1.00 0.00 C ATOM 1491 O ILE B 40 0.332 -13.293 1.193 1.00 0.00 O ATOM 1492 CB ILE B 40 0.746 -9.909 1.303 1.00 0.00 C ATOM 1493 CG1 ILE B 40 1.050 -8.685 0.416 1.00 0.00 C ATOM 1494 CG2 ILE B 40 2.056 -10.444 1.915 1.00 0.00 C ATOM 1495 CD1 ILE B 40 1.674 -7.498 1.161 1.00 0.00 C ATOM 0 H ILE B 40 -1.444 -9.527 0.165 1.00 0.00 H new ATOM 0 HA ILE B 40 0.668 -11.333 -0.317 1.00 0.00 H new ATOM 0 HB ILE B 40 0.082 -9.604 2.111 1.00 0.00 H new ATOM 0 HG12 ILE B 40 1.724 -8.991 -0.384 1.00 0.00 H new ATOM 0 HG13 ILE B 40 0.124 -8.355 -0.056 1.00 0.00 H new ATOM 0 HG21 ILE B 40 2.547 -9.649 2.476 1.00 0.00 H new ATOM 0 HG22 ILE B 40 1.832 -11.275 2.584 1.00 0.00 H new ATOM 0 HG23 ILE B 40 2.716 -10.787 1.118 1.00 0.00 H new ATOM 0 HD11 ILE B 40 1.854 -6.683 0.460 1.00 0.00 H new ATOM 0 HD12 ILE B 40 0.994 -7.161 1.943 1.00 0.00 H new ATOM 0 HD13 ILE B 40 2.618 -7.806 1.610 1.00 0.00 H new ATOM 1507 N GLU B 41 -1.217 -12.119 2.310 1.00 0.00 N ATOM 1508 CA GLU B 41 -1.630 -13.225 3.180 1.00 0.00 C ATOM 1509 C GLU B 41 -2.300 -14.360 2.392 1.00 0.00 C ATOM 1510 O GLU B 41 -2.070 -15.532 2.677 1.00 0.00 O ATOM 1511 CB GLU B 41 -2.544 -12.679 4.289 1.00 0.00 C ATOM 1512 CG GLU B 41 -2.790 -13.708 5.398 1.00 0.00 C ATOM 1513 CD GLU B 41 -3.536 -13.072 6.587 1.00 0.00 C ATOM 1514 OE1 GLU B 41 -4.792 -13.072 6.595 1.00 0.00 O ATOM 1515 OE2 GLU B 41 -2.873 -12.571 7.528 1.00 0.00 O ATOM 0 H GLU B 41 -1.722 -11.250 2.486 1.00 0.00 H new ATOM 0 HA GLU B 41 -0.742 -13.664 3.636 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -2.095 -11.784 4.720 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -3.498 -12.380 3.856 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -3.371 -14.541 5.003 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -1.838 -14.116 5.738 1.00 0.00 H new ATOM 1522 N TRP B 42 -3.075 -14.027 1.361 1.00 0.00 N ATOM 1523 CA TRP B 42 -3.730 -14.955 0.443 1.00 0.00 C ATOM 1524 C TRP B 42 -2.773 -15.913 -0.269 1.00 0.00 C ATOM 1525 O TRP B 42 -3.057 -17.113 -0.284 1.00 0.00 O ATOM 1526 CB TRP B 42 -4.597 -14.130 -0.526 1.00 0.00 C ATOM 1527 CG TRP B 42 -5.992 -13.841 -0.069 1.00 0.00 C ATOM 1528 CD1 TRP B 42 -6.525 -14.148 1.137 1.00 0.00 C ATOM 1529 CD2 TRP B 42 -7.056 -13.190 -0.824 1.00 0.00 C ATOM 1530 NE1 TRP B 42 -7.855 -13.770 1.162 1.00 0.00 N ATOM 1531 CE2 TRP B 42 -8.240 -13.184 -0.029 1.00 0.00 C ATOM 1532 CE3 TRP B 42 -7.128 -12.586 -2.097 1.00 0.00 C ATOM 1533 CZ2 TRP B 42 -9.447 -12.635 -0.492 1.00 0.00 C ATOM 1534 CZ3 TRP B 42 -8.324 -12.011 -2.562 1.00 0.00 C ATOM 1535 CH2 TRP B 42 -9.486 -12.047 -1.771 1.00 0.00 C ATOM 0 H TRP B 42 -3.273 -13.053 1.133 1.00 0.00 H new ATOM 0 HA TRP B 42 -4.363 -15.630 1.020 1.00 0.00 H new ATOM 0 HB2 TRP B 42 -4.094 -13.182 -0.716 1.00 0.00 H new ATOM 0 HB3 TRP B 42 -4.649 -14.660 -1.477 1.00 0.00 H new ATOM 0 HD1 TRP B 42 -5.994 -14.616 1.953 1.00 0.00 H new ATOM 0 HE1 TRP B 42 -8.475 -13.907 1.960 1.00 0.00 H new ATOM 0 HE3 TRP B 42 -6.250 -12.565 -2.725 1.00 0.00 H new ATOM 0 HZ2 TRP B 42 -10.333 -12.663 0.125 1.00 0.00 H new ATOM 0 HZ3 TRP B 42 -8.350 -11.539 -3.533 1.00 0.00 H new ATOM 0 HH2 TRP B 42 -10.407 -11.624 -2.144 1.00 0.00 H new ATOM 1546 N LEU B 43 -1.624 -15.454 -0.789 1.00 0.00 N ATOM 1547 CA LEU B 43 -0.655 -16.391 -1.379 1.00 0.00 C ATOM 1548 C LEU B 43 0.271 -17.048 -0.341 1.00 0.00 C ATOM 1549 O LEU B 43 0.669 -18.198 -0.520 1.00 0.00 O ATOM 1550 CB LEU B 43 0.072 -15.756 -2.570 1.00 0.00 C ATOM 1551 CG LEU B 43 1.101 -14.696 -2.170 1.00 0.00 C ATOM 1552 CD1 LEU B 43 2.515 -15.274 -2.164 1.00 0.00 C ATOM 1553 CD2 LEU B 43 1.072 -13.534 -3.153 1.00 0.00 C ATOM 0 H LEU B 43 -1.348 -14.472 -0.814 1.00 0.00 H new ATOM 0 HA LEU B 43 -1.218 -17.233 -1.782 1.00 0.00 H new ATOM 0 HB2 LEU B 43 0.573 -16.540 -3.138 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -0.664 -15.302 -3.234 1.00 0.00 H new ATOM 0 HG LEU B 43 0.841 -14.355 -1.168 1.00 0.00 H new ATOM 0 HD11 LEU B 43 3.224 -14.498 -1.876 1.00 0.00 H new ATOM 0 HD12 LEU B 43 2.569 -16.097 -1.451 1.00 0.00 H new ATOM 0 HD13 LEU B 43 2.763 -15.640 -3.160 1.00 0.00 H new ATOM 0 HD21 LEU B 43 1.809 -12.788 -2.856 1.00 0.00 H new ATOM 0 HD22 LEU B 43 1.307 -13.898 -4.153 1.00 0.00 H new ATOM 0 HD23 LEU B 43 0.080 -13.083 -3.154 1.00 0.00 H new ATOM 1565 N GLU B 44 0.573 -16.369 0.771 1.00 0.00 N ATOM 1566 CA GLU B 44 1.392 -16.923 1.858 1.00 0.00 C ATOM 1567 C GLU B 44 0.665 -18.041 2.636 1.00 0.00 C ATOM 1568 O GLU B 44 1.298 -19.021 3.028 1.00 0.00 O ATOM 1569 CB GLU B 44 1.852 -15.773 2.772 1.00 0.00 C ATOM 1570 CG GLU B 44 3.051 -16.101 3.679 1.00 0.00 C ATOM 1571 CD GLU B 44 2.722 -16.959 4.921 1.00 0.00 C ATOM 1572 OE1 GLU B 44 1.685 -16.717 5.585 1.00 0.00 O ATOM 1573 OE2 GLU B 44 3.544 -17.837 5.283 1.00 0.00 O ATOM 0 H GLU B 44 0.255 -15.415 0.944 1.00 0.00 H new ATOM 0 HA GLU B 44 2.270 -17.404 1.427 1.00 0.00 H new ATOM 0 HB2 GLU B 44 2.110 -14.916 2.150 1.00 0.00 H new ATOM 0 HB3 GLU B 44 1.014 -15.470 3.399 1.00 0.00 H new ATOM 0 HG2 GLU B 44 3.803 -16.622 3.086 1.00 0.00 H new ATOM 0 HG3 GLU B 44 3.500 -15.166 4.012 1.00 0.00 H new ATOM 1580 N THR B 45 -0.665 -17.966 2.791 1.00 0.00 N ATOM 1581 CA THR B 45 -1.476 -18.985 3.493 1.00 0.00 C ATOM 1582 C THR B 45 -1.340 -20.382 2.868 1.00 0.00 C ATOM 1583 O THR B 45 -1.314 -21.382 3.589 1.00 0.00 O ATOM 1584 CB THR B 45 -2.956 -18.551 3.564 1.00 0.00 C ATOM 1585 OG1 THR B 45 -3.069 -17.403 4.375 1.00 0.00 O ATOM 1586 CG2 THR B 45 -3.883 -19.593 4.197 1.00 0.00 C ATOM 0 H THR B 45 -1.219 -17.189 2.430 1.00 0.00 H new ATOM 0 HA THR B 45 -1.085 -19.059 4.508 1.00 0.00 H new ATOM 0 HB THR B 45 -3.256 -18.389 2.529 1.00 0.00 H new ATOM 0 HG1 THR B 45 -2.707 -16.628 3.897 1.00 0.00 H new ATOM 0 HG21 THR B 45 -4.904 -19.212 4.209 1.00 0.00 H new ATOM 0 HG22 THR B 45 -3.846 -20.514 3.615 1.00 0.00 H new ATOM 0 HG23 THR B 45 -3.559 -19.796 5.218 1.00 0.00 H new ATOM 1594 N ILE B 46 -1.175 -20.469 1.542 1.00 0.00 N ATOM 1595 CA ILE B 46 -0.981 -21.736 0.809 1.00 0.00 C ATOM 1596 C ILE B 46 0.308 -22.468 1.229 1.00 0.00 C ATOM 1597 O ILE B 46 0.374 -23.698 1.181 1.00 0.00 O ATOM 1598 CB ILE B 46 -0.996 -21.468 -0.718 1.00 0.00 C ATOM 1599 CG1 ILE B 46 -2.231 -20.662 -1.183 1.00 0.00 C ATOM 1600 CG2 ILE B 46 -0.909 -22.770 -1.535 1.00 0.00 C ATOM 1601 CD1 ILE B 46 -3.596 -21.244 -0.784 1.00 0.00 C ATOM 0 H ILE B 46 -1.172 -19.650 0.934 1.00 0.00 H new ATOM 0 HA ILE B 46 -1.809 -22.397 1.066 1.00 0.00 H new ATOM 0 HB ILE B 46 -0.107 -20.865 -0.904 1.00 0.00 H new ATOM 0 HG12 ILE B 46 -2.156 -19.652 -0.780 1.00 0.00 H new ATOM 0 HG13 ILE B 46 -2.197 -20.575 -2.269 1.00 0.00 H new ATOM 0 HG21 ILE B 46 -0.923 -22.534 -2.599 1.00 0.00 H new ATOM 0 HG22 ILE B 46 0.017 -23.291 -1.291 1.00 0.00 H new ATOM 0 HG23 ILE B 46 -1.759 -23.408 -1.294 1.00 0.00 H new ATOM 0 HD11 ILE B 46 -4.390 -20.600 -1.161 1.00 0.00 H new ATOM 0 HD12 ILE B 46 -3.705 -22.241 -1.210 1.00 0.00 H new ATOM 0 HD13 ILE B 46 -3.662 -21.304 0.302 1.00 0.00 H new ATOM 1613 N LEU B 47 1.330 -21.728 1.674 1.00 0.00 N ATOM 1614 CA LEU B 47 2.649 -22.260 2.042 1.00 0.00 C ATOM 1615 C LEU B 47 2.664 -22.978 3.409 1.00 0.00 C ATOM 1616 O LEU B 47 3.611 -23.711 3.708 1.00 0.00 O ATOM 1617 CB LEU B 47 3.685 -21.116 2.028 1.00 0.00 C ATOM 1618 CG LEU B 47 3.672 -20.222 0.772 1.00 0.00 C ATOM 1619 CD1 LEU B 47 4.746 -19.141 0.899 1.00 0.00 C ATOM 1620 CD2 LEU B 47 3.912 -21.014 -0.515 1.00 0.00 C ATOM 0 H LEU B 47 1.262 -20.717 1.791 1.00 0.00 H new ATOM 0 HA LEU B 47 2.906 -23.016 1.301 1.00 0.00 H new ATOM 0 HB2 LEU B 47 3.517 -20.487 2.902 1.00 0.00 H new ATOM 0 HB3 LEU B 47 4.680 -21.549 2.134 1.00 0.00 H new ATOM 0 HG LEU B 47 2.680 -19.775 0.707 1.00 0.00 H new ATOM 0 HD11 LEU B 47 4.735 -18.511 0.010 1.00 0.00 H new ATOM 0 HD12 LEU B 47 4.545 -18.530 1.779 1.00 0.00 H new ATOM 0 HD13 LEU B 47 5.725 -19.610 0.998 1.00 0.00 H new ATOM 0 HD21 LEU B 47 3.893 -20.336 -1.368 1.00 0.00 H new ATOM 0 HD22 LEU B 47 4.884 -21.506 -0.464 1.00 0.00 H new ATOM 0 HD23 LEU B 47 3.131 -21.765 -0.631 1.00 0.00 H new ATOM 1632 N GLY B 48 1.629 -22.779 4.236 1.00 0.00 N ATOM 1633 CA GLY B 48 1.463 -23.426 5.546 1.00 0.00 C ATOM 1634 C GLY B 48 0.577 -22.652 6.535 1.00 0.00 C ATOM 1635 O GLY B 48 0.024 -23.235 7.466 1.00 0.00 O ATOM 0 H GLY B 48 0.863 -22.146 4.007 1.00 0.00 H new ATOM 0 HA2 GLY B 48 1.036 -24.417 5.395 1.00 0.00 H new ATOM 0 HA3 GLY B 48 2.447 -23.567 5.994 1.00 0.00 H new HETATM 1639 N NH2 B 49 0.406 -21.347 6.354 1.00 0.00 N TER 1642 NH2 B 49 HETATM 1643 ZN ZN A 50 -3.022 -4.404 -7.628 1.00 0.00 ZN HETATM 1644 ZN ZN B 50 -2.052 -7.491 -5.327 1.00 0.00 ZN