USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 673 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -167:sc= 1.24 (180deg=1.15) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.238 USER MOD Single : A 14 THR OG1 : rot 108:sc= -3.89! USER MOD Single : A 15 ASN : amide:sc= -7.46! C(o=-7.5!,f=-20!) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.6!) USER MOD Single : A 20 SER OG : rot 4:sc= 1.06 USER MOD Single : A 21 MET CE :methyl 134:sc= -1.27 (180deg=-1.86!) USER MOD Single : A 23 THR OG1 : rot 180:sc= -1.47! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -120:sc= -2.24 USER MOD Single : A 29 THR OG1 : rot -170:sc= 0.662 USER MOD Single : A 34 GLN : amide:sc= -2.11 K(o=-2.1,f=-2.8!) USER MOD Single : A 36 SER OG : rot -169:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.387 X(o=-0.39,f=-0.022) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -4.29! C(o=-4.3!,f=-8.9!) USER MOD Single : A 49 CYS SG : rot 180:sc= -0.969 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.0947 X(o=-0.095,f=0) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -138:sc= -0.262 (180deg=-1.03) USER MOD Single : A 74 GLN : amide:sc= -0.0432 K(o=-0.043,f=-1.2!) USER MOD Single : A 75 HIS : no HD1:sc= -2.14 X(o=-2.1,f=-2.5) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 6 13.374 11.487 -6.099 1.00 0.00 N ATOM 2 CA LYS A 6 12.616 12.620 -5.579 1.00 0.00 C ATOM 3 C LYS A 6 11.212 12.191 -5.165 1.00 0.00 C ATOM 4 O LYS A 6 10.221 12.806 -5.559 1.00 0.00 O ATOM 5 CB LYS A 6 12.538 13.732 -6.629 1.00 0.00 C ATOM 6 CG LYS A 6 11.982 13.269 -7.966 1.00 0.00 C ATOM 7 CD LYS A 6 13.087 13.082 -8.996 1.00 0.00 C ATOM 8 CE LYS A 6 12.883 11.816 -9.811 1.00 0.00 C ATOM 9 NZ LYS A 6 13.825 11.737 -10.962 1.00 0.00 N ATOM 0 HA LYS A 6 13.133 12.999 -4.697 1.00 0.00 H new ATOM 0 HB2 LYS A 6 11.914 14.539 -6.245 1.00 0.00 H new ATOM 0 HB3 LYS A 6 13.535 14.145 -6.783 1.00 0.00 H new ATOM 0 HG2 LYS A 6 11.445 12.330 -7.832 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.261 13.999 -8.333 1.00 0.00 H new ATOM 0 HD2 LYS A 6 13.114 13.944 -9.662 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.052 13.039 -8.491 1.00 0.00 H new ATOM 0 HE2 LYS A 6 13.020 10.946 -9.169 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.857 11.783 -10.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 13.653 10.859 -11.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.677 12.554 -11.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 14.804 11.743 -10.611 1.00 0.00 H new ATOM 23 N GLU A 7 11.135 11.132 -4.365 1.00 0.00 N ATOM 24 CA GLU A 7 9.852 10.619 -3.896 1.00 0.00 C ATOM 25 C GLU A 7 9.898 10.335 -2.397 1.00 0.00 C ATOM 26 O GLU A 7 10.889 10.635 -1.731 1.00 0.00 O ATOM 27 CB GLU A 7 9.466 9.354 -4.666 1.00 0.00 C ATOM 28 CG GLU A 7 10.622 8.398 -4.914 1.00 0.00 C ATOM 29 CD GLU A 7 10.546 7.737 -6.277 1.00 0.00 C ATOM 30 OE1 GLU A 7 10.972 8.369 -7.266 1.00 0.00 O ATOM 31 OE2 GLU A 7 10.059 6.590 -6.354 1.00 0.00 O ATOM 0 H GLU A 7 11.945 10.612 -4.028 1.00 0.00 H new ATOM 0 HA GLU A 7 9.094 11.381 -4.078 1.00 0.00 H new ATOM 0 HB2 GLU A 7 8.687 8.829 -4.113 1.00 0.00 H new ATOM 0 HB3 GLU A 7 9.036 9.643 -5.625 1.00 0.00 H new ATOM 0 HG2 GLU A 7 11.563 8.941 -4.829 1.00 0.00 H new ATOM 0 HG3 GLU A 7 10.626 7.630 -4.141 1.00 0.00 H new ATOM 38 N LYS A 8 8.819 9.761 -1.867 1.00 0.00 N ATOM 39 CA LYS A 8 8.745 9.450 -0.447 1.00 0.00 C ATOM 40 C LYS A 8 9.077 7.986 -0.184 1.00 0.00 C ATOM 41 O LYS A 8 8.926 7.133 -1.059 1.00 0.00 O ATOM 42 CB LYS A 8 7.350 9.778 0.095 1.00 0.00 C ATOM 43 CG LYS A 8 6.264 8.820 -0.368 1.00 0.00 C ATOM 44 CD LYS A 8 5.194 9.536 -1.178 1.00 0.00 C ATOM 45 CE LYS A 8 3.877 8.777 -1.153 1.00 0.00 C ATOM 46 NZ LYS A 8 2.892 9.343 -2.116 1.00 0.00 N ATOM 0 H LYS A 8 7.988 9.504 -2.400 1.00 0.00 H new ATOM 0 HA LYS A 8 9.483 10.063 0.070 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.384 9.772 1.184 1.00 0.00 H new ATOM 0 HB3 LYS A 8 7.082 10.789 -0.210 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.709 8.029 -0.971 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.806 8.342 0.498 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.045 10.539 -0.779 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.531 9.649 -2.208 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.057 7.729 -1.392 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.459 8.807 -0.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.949 8.951 -1.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.865 10.378 -2.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.174 9.096 -3.086 1.00 0.00 H new ATOM 60 N LYS A 9 9.520 7.706 1.034 1.00 0.00 N ATOM 61 CA LYS A 9 9.867 6.348 1.435 1.00 0.00 C ATOM 62 C LYS A 9 8.888 5.844 2.489 1.00 0.00 C ATOM 63 O LYS A 9 8.537 6.571 3.418 1.00 0.00 O ATOM 64 CB LYS A 9 11.298 6.299 1.978 1.00 0.00 C ATOM 65 CG LYS A 9 11.695 4.936 2.523 1.00 0.00 C ATOM 66 CD LYS A 9 11.685 4.915 4.045 1.00 0.00 C ATOM 67 CE LYS A 9 12.953 4.291 4.604 1.00 0.00 C ATOM 68 NZ LYS A 9 12.702 3.571 5.883 1.00 0.00 N ATOM 0 H LYS A 9 9.648 8.405 1.766 1.00 0.00 H new ATOM 0 HA LYS A 9 9.805 5.702 0.559 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.989 6.579 1.183 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.404 7.042 2.768 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.009 4.178 2.144 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.690 4.675 2.162 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.582 5.932 4.423 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.818 4.355 4.396 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.369 3.598 3.873 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.699 5.069 4.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.592 3.160 6.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.329 4.237 6.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.009 2.812 5.724 1.00 0.00 H new ATOM 82 N ILE A 10 8.440 4.605 2.334 1.00 0.00 N ATOM 83 CA ILE A 10 7.489 4.021 3.271 1.00 0.00 C ATOM 84 C ILE A 10 7.841 2.569 3.586 1.00 0.00 C ATOM 85 O ILE A 10 8.615 1.937 2.866 1.00 0.00 O ATOM 86 CB ILE A 10 6.042 4.094 2.730 1.00 0.00 C ATOM 87 CG1 ILE A 10 5.963 5.053 1.530 1.00 0.00 C ATOM 88 CG2 ILE A 10 5.093 4.532 3.837 1.00 0.00 C ATOM 89 CD1 ILE A 10 4.558 5.500 1.182 1.00 0.00 C ATOM 0 H ILE A 10 8.718 3.987 1.572 1.00 0.00 H new ATOM 0 HA ILE A 10 7.550 4.607 4.188 1.00 0.00 H new ATOM 0 HB ILE A 10 5.743 3.103 2.390 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.570 5.933 1.742 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.403 4.565 0.660 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.076 4.581 3.447 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.133 3.814 4.656 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.389 5.516 4.202 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.592 6.173 0.326 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.950 4.630 0.935 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.120 6.019 2.034 1.00 0.00 H new ATOM 101 N ARG A 11 7.271 2.048 4.669 1.00 0.00 N ATOM 102 CA ARG A 11 7.528 0.673 5.084 1.00 0.00 C ATOM 103 C ARG A 11 6.367 -0.239 4.700 1.00 0.00 C ATOM 104 O ARG A 11 5.239 0.221 4.517 1.00 0.00 O ATOM 105 CB ARG A 11 7.760 0.613 6.596 1.00 0.00 C ATOM 106 CG ARG A 11 8.054 -0.785 7.115 1.00 0.00 C ATOM 107 CD ARG A 11 8.150 -0.810 8.632 1.00 0.00 C ATOM 108 NE ARG A 11 9.061 0.213 9.141 1.00 0.00 N ATOM 109 CZ ARG A 11 9.123 0.579 10.419 1.00 0.00 C ATOM 110 NH1 ARG A 11 8.332 0.010 11.320 1.00 0.00 N ATOM 111 NH2 ARG A 11 9.981 1.517 10.799 1.00 0.00 N ATOM 0 H ARG A 11 6.628 2.558 5.275 1.00 0.00 H new ATOM 0 HA ARG A 11 8.424 0.325 4.569 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.592 1.269 6.853 1.00 0.00 H new ATOM 0 HB3 ARG A 11 6.878 1.002 7.105 1.00 0.00 H new ATOM 0 HG2 ARG A 11 7.269 -1.468 6.788 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.989 -1.144 6.685 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.159 -0.658 9.060 1.00 0.00 H new ATOM 0 HD3 ARG A 11 8.491 -1.793 8.957 1.00 0.00 H new ATOM 0 HE ARG A 11 9.685 0.673 8.479 1.00 0.00 H new ATOM 0 HH11 ARG A 11 7.671 -0.713 11.035 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.385 0.295 12.298 1.00 0.00 H new ATOM 0 HH21 ARG A 11 10.593 1.957 10.112 1.00 0.00 H new ATOM 0 HH22 ARG A 11 10.029 1.798 11.778 1.00 0.00 H new ATOM 125 N ILE A 12 6.647 -1.533 4.583 1.00 0.00 N ATOM 126 CA ILE A 12 5.623 -2.506 4.225 1.00 0.00 C ATOM 127 C ILE A 12 5.751 -3.772 5.061 1.00 0.00 C ATOM 128 O ILE A 12 6.851 -4.167 5.445 1.00 0.00 O ATOM 129 CB ILE A 12 5.696 -2.906 2.739 1.00 0.00 C ATOM 130 CG1 ILE A 12 5.676 -1.671 1.836 1.00 0.00 C ATOM 131 CG2 ILE A 12 4.544 -3.840 2.402 1.00 0.00 C ATOM 132 CD1 ILE A 12 6.372 -1.885 0.506 1.00 0.00 C ATOM 0 H ILE A 12 7.574 -1.931 4.731 1.00 0.00 H new ATOM 0 HA ILE A 12 4.667 -2.021 4.420 1.00 0.00 H new ATOM 0 HB ILE A 12 6.637 -3.427 2.563 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.641 -1.381 1.653 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.153 -0.841 2.358 1.00 0.00 H new ATOM 0 HG21 ILE A 12 4.599 -4.121 1.350 1.00 0.00 H new ATOM 0 HG22 ILE A 12 4.609 -4.735 3.020 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.598 -3.334 2.594 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.320 -0.970 -0.083 1.00 0.00 H new ATOM 0 HD12 ILE A 12 7.416 -2.146 0.680 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.881 -2.694 -0.036 1.00 0.00 H new ATOM 144 N THR A 13 4.618 -4.412 5.327 1.00 0.00 N ATOM 145 CA THR A 13 4.608 -5.643 6.103 1.00 0.00 C ATOM 146 C THR A 13 3.435 -6.534 5.713 1.00 0.00 C ATOM 147 O THR A 13 2.279 -6.137 5.834 1.00 0.00 O ATOM 148 CB THR A 13 4.550 -5.334 7.592 1.00 0.00 C ATOM 149 OG1 THR A 13 5.181 -4.097 7.876 1.00 0.00 O ATOM 150 CG2 THR A 13 5.217 -6.395 8.427 1.00 0.00 C ATOM 0 H THR A 13 3.698 -4.099 5.017 1.00 0.00 H new ATOM 0 HA THR A 13 5.532 -6.178 5.885 1.00 0.00 H new ATOM 0 HB THR A 13 3.491 -5.294 7.848 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.131 -3.917 8.838 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.147 -6.126 9.481 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.721 -7.352 8.263 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.266 -6.476 8.142 1.00 0.00 H new ATOM 158 N THR A 14 3.737 -7.743 5.248 1.00 0.00 N ATOM 159 CA THR A 14 2.693 -8.679 4.846 1.00 0.00 C ATOM 160 C THR A 14 2.355 -9.647 5.969 1.00 0.00 C ATOM 161 O THR A 14 3.233 -10.078 6.727 1.00 0.00 O ATOM 162 CB THR A 14 3.093 -9.456 3.590 1.00 0.00 C ATOM 163 OG1 THR A 14 3.702 -10.690 3.924 1.00 0.00 O ATOM 164 CG2 THR A 14 4.045 -8.697 2.694 1.00 0.00 C ATOM 0 H THR A 14 4.688 -8.095 5.141 1.00 0.00 H new ATOM 0 HA THR A 14 1.806 -8.088 4.619 1.00 0.00 H new ATOM 0 HB THR A 14 2.161 -9.618 3.048 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.088 -11.425 3.716 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.287 -9.305 1.823 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.576 -7.768 2.369 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.959 -8.470 3.243 1.00 0.00 H new ATOM 172 N ASN A 15 1.072 -9.985 6.048 1.00 0.00 N ATOM 173 CA ASN A 15 0.561 -10.902 7.062 1.00 0.00 C ATOM 174 C ASN A 15 1.342 -12.211 7.084 1.00 0.00 C ATOM 175 O ASN A 15 1.388 -12.893 8.108 1.00 0.00 O ATOM 176 CB ASN A 15 -0.925 -11.188 6.819 1.00 0.00 C ATOM 177 CG ASN A 15 -1.222 -11.530 5.371 1.00 0.00 C ATOM 178 OD1 ASN A 15 -0.402 -11.299 4.485 1.00 0.00 O ATOM 179 ND2 ASN A 15 -2.405 -12.083 5.123 1.00 0.00 N ATOM 0 H ASN A 15 0.357 -9.632 5.412 1.00 0.00 H new ATOM 0 HA ASN A 15 0.685 -10.420 8.032 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -1.242 -12.014 7.456 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -1.512 -10.317 7.111 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.661 -12.333 4.168 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.057 -12.258 5.888 1.00 0.00 H new ATOM 186 N ASP A 16 1.960 -12.560 5.961 1.00 0.00 N ATOM 187 CA ASP A 16 2.738 -13.791 5.887 1.00 0.00 C ATOM 188 C ASP A 16 3.869 -13.768 6.910 1.00 0.00 C ATOM 189 O ASP A 16 4.395 -14.811 7.295 1.00 0.00 O ATOM 190 CB ASP A 16 3.303 -13.990 4.481 1.00 0.00 C ATOM 191 CG ASP A 16 3.048 -15.389 3.955 1.00 0.00 C ATOM 192 OD1 ASP A 16 3.230 -16.355 4.726 1.00 0.00 O ATOM 193 OD2 ASP A 16 2.669 -15.520 2.772 1.00 0.00 O ATOM 0 H ASP A 16 1.938 -12.015 5.099 1.00 0.00 H new ATOM 0 HA ASP A 16 2.076 -14.627 6.114 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.855 -13.262 3.805 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.376 -13.797 4.492 1.00 0.00 H new ATOM 198 N GLY A 17 4.236 -12.566 7.345 1.00 0.00 N ATOM 199 CA GLY A 17 5.297 -12.418 8.317 1.00 0.00 C ATOM 200 C GLY A 17 6.532 -11.781 7.721 1.00 0.00 C ATOM 201 O GLY A 17 7.648 -12.024 8.181 1.00 0.00 O ATOM 0 H GLY A 17 3.813 -11.690 7.038 1.00 0.00 H new ATOM 0 HA2 GLY A 17 4.943 -11.810 9.150 1.00 0.00 H new ATOM 0 HA3 GLY A 17 5.555 -13.396 8.723 1.00 0.00 H new ATOM 205 N ARG A 18 6.337 -10.968 6.687 1.00 0.00 N ATOM 206 CA ARG A 18 7.458 -10.305 6.027 1.00 0.00 C ATOM 207 C ARG A 18 7.250 -8.796 5.955 1.00 0.00 C ATOM 208 O ARG A 18 6.123 -8.311 6.014 1.00 0.00 O ATOM 209 CB ARG A 18 7.642 -10.872 4.622 1.00 0.00 C ATOM 210 CG ARG A 18 6.357 -10.934 3.828 1.00 0.00 C ATOM 211 CD ARG A 18 6.588 -11.525 2.455 1.00 0.00 C ATOM 212 NE ARG A 18 6.333 -12.960 2.442 1.00 0.00 N ATOM 213 CZ ARG A 18 5.172 -13.503 2.093 1.00 0.00 C ATOM 214 NH1 ARG A 18 4.121 -12.736 1.836 1.00 0.00 N ATOM 215 NH2 ARG A 18 5.051 -14.823 2.035 1.00 0.00 N ATOM 0 H ARG A 18 5.422 -10.753 6.290 1.00 0.00 H new ATOM 0 HA ARG A 18 8.355 -10.493 6.617 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.365 -10.260 4.083 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.064 -11.874 4.695 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.623 -11.534 4.366 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.939 -9.932 3.730 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.938 -11.032 1.732 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.615 -11.334 2.143 1.00 0.00 H new ATOM 0 HE ARG A 18 7.091 -13.584 2.717 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.201 -11.722 1.906 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.233 -13.161 1.569 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.848 -15.419 2.258 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.161 -15.242 1.767 1.00 0.00 H new ATOM 229 N GLN A 19 8.352 -8.060 5.823 1.00 0.00 N ATOM 230 CA GLN A 19 8.297 -6.604 5.739 1.00 0.00 C ATOM 231 C GLN A 19 9.406 -6.065 4.844 1.00 0.00 C ATOM 232 O GLN A 19 10.469 -6.671 4.718 1.00 0.00 O ATOM 233 CB GLN A 19 8.400 -5.968 7.132 1.00 0.00 C ATOM 234 CG GLN A 19 9.256 -6.751 8.118 1.00 0.00 C ATOM 235 CD GLN A 19 10.616 -6.119 8.341 1.00 0.00 C ATOM 236 OE1 GLN A 19 11.337 -5.819 7.389 1.00 0.00 O ATOM 237 NE2 GLN A 19 10.974 -5.914 9.603 1.00 0.00 N ATOM 0 H GLN A 19 9.293 -8.449 5.772 1.00 0.00 H new ATOM 0 HA GLN A 19 7.334 -6.339 5.302 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.811 -4.964 7.030 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.397 -5.862 7.545 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.732 -6.822 9.071 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.388 -7.768 7.750 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.345 -6.178 10.361 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.878 -5.492 9.815 1.00 0.00 H new ATOM 246 N SER A 20 9.147 -4.917 4.225 1.00 0.00 N ATOM 247 CA SER A 20 10.118 -4.287 3.340 1.00 0.00 C ATOM 248 C SER A 20 9.746 -2.830 3.080 1.00 0.00 C ATOM 249 O SER A 20 8.567 -2.474 3.066 1.00 0.00 O ATOM 250 CB SER A 20 10.205 -5.048 2.016 1.00 0.00 C ATOM 251 OG SER A 20 10.872 -6.287 2.183 1.00 0.00 O ATOM 0 H SER A 20 8.271 -4.404 4.321 1.00 0.00 H new ATOM 0 HA SER A 20 11.092 -4.315 3.829 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.202 -5.221 1.626 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.734 -4.443 1.279 1.00 0.00 H new ATOM 0 HG SER A 20 11.088 -6.417 3.130 1.00 0.00 H new ATOM 257 N MET A 21 10.755 -1.993 2.874 1.00 0.00 N ATOM 258 CA MET A 21 10.531 -0.576 2.613 1.00 0.00 C ATOM 259 C MET A 21 10.527 -0.293 1.119 1.00 0.00 C ATOM 260 O MET A 21 10.961 -1.119 0.317 1.00 0.00 O ATOM 261 CB MET A 21 11.590 0.279 3.324 1.00 0.00 C ATOM 262 CG MET A 21 12.945 0.310 2.627 1.00 0.00 C ATOM 263 SD MET A 21 13.983 -1.104 3.048 1.00 0.00 S ATOM 264 CE MET A 21 13.765 -2.126 1.593 1.00 0.00 C ATOM 0 H MET A 21 11.737 -2.270 2.883 1.00 0.00 H new ATOM 0 HA MET A 21 9.551 -0.309 3.010 1.00 0.00 H new ATOM 0 HB2 MET A 21 11.217 1.299 3.412 1.00 0.00 H new ATOM 0 HB3 MET A 21 11.725 -0.099 4.337 1.00 0.00 H new ATOM 0 HG2 MET A 21 12.792 0.334 1.548 1.00 0.00 H new ATOM 0 HG3 MET A 21 13.465 1.229 2.896 1.00 0.00 H new ATOM 0 HE1 MET A 21 14.735 -2.495 1.259 1.00 0.00 H new ATOM 0 HE2 MET A 21 13.119 -2.970 1.835 1.00 0.00 H new ATOM 0 HE3 MET A 21 13.308 -1.536 0.799 1.00 0.00 H new ATOM 274 N VAL A 22 10.026 0.879 0.753 1.00 0.00 N ATOM 275 CA VAL A 22 9.956 1.269 -0.644 1.00 0.00 C ATOM 276 C VAL A 22 10.115 2.775 -0.811 1.00 0.00 C ATOM 277 O VAL A 22 10.134 3.523 0.167 1.00 0.00 O ATOM 278 CB VAL A 22 8.623 0.833 -1.274 1.00 0.00 C ATOM 279 CG1 VAL A 22 8.630 -0.658 -1.572 1.00 0.00 C ATOM 280 CG2 VAL A 22 7.459 1.199 -0.368 1.00 0.00 C ATOM 0 H VAL A 22 9.663 1.574 1.405 1.00 0.00 H new ATOM 0 HA VAL A 22 10.778 0.767 -1.154 1.00 0.00 H new ATOM 0 HB VAL A 22 8.500 1.365 -2.218 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.677 -0.945 -2.017 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.438 -0.886 -2.267 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.779 -1.213 -0.646 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.524 0.883 -0.831 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.575 0.699 0.594 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.441 2.278 -0.216 1.00 0.00 H new ATOM 290 N THR A 23 10.228 3.210 -2.059 1.00 0.00 N ATOM 291 CA THR A 23 10.385 4.625 -2.370 1.00 0.00 C ATOM 292 C THR A 23 9.154 5.155 -3.103 1.00 0.00 C ATOM 293 O THR A 23 9.269 5.839 -4.120 1.00 0.00 O ATOM 294 CB THR A 23 11.639 4.836 -3.220 1.00 0.00 C ATOM 295 OG1 THR A 23 11.993 6.206 -3.267 1.00 0.00 O ATOM 296 CG2 THR A 23 11.480 4.351 -4.644 1.00 0.00 C ATOM 0 H THR A 23 10.214 2.600 -2.876 1.00 0.00 H new ATOM 0 HA THR A 23 10.491 5.177 -1.436 1.00 0.00 H new ATOM 0 HB THR A 23 12.419 4.248 -2.736 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.798 6.317 -3.814 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.404 4.529 -5.194 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.259 3.284 -4.642 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.663 4.890 -5.123 1.00 0.00 H new ATOM 304 N LEU A 24 7.978 4.821 -2.579 1.00 0.00 N ATOM 305 CA LEU A 24 6.707 5.242 -3.171 1.00 0.00 C ATOM 306 C LEU A 24 6.775 6.670 -3.712 1.00 0.00 C ATOM 307 O LEU A 24 7.246 7.581 -3.033 1.00 0.00 O ATOM 308 CB LEU A 24 5.585 5.133 -2.135 1.00 0.00 C ATOM 309 CG LEU A 24 4.275 4.544 -2.659 1.00 0.00 C ATOM 310 CD1 LEU A 24 4.485 3.112 -3.128 1.00 0.00 C ATOM 311 CD2 LEU A 24 3.198 4.604 -1.587 1.00 0.00 C ATOM 0 H LEU A 24 7.877 4.254 -1.737 1.00 0.00 H new ATOM 0 HA LEU A 24 6.499 4.578 -4.010 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.936 4.519 -1.306 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.384 6.126 -1.734 1.00 0.00 H new ATOM 0 HG LEU A 24 3.945 5.139 -3.511 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.542 2.708 -3.498 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.225 3.096 -3.928 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.838 2.504 -2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.272 4.181 -1.977 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.519 4.033 -0.716 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.029 5.641 -1.299 1.00 0.00 H new ATOM 323 N LYS A 25 6.301 6.851 -4.941 1.00 0.00 N ATOM 324 CA LYS A 25 6.305 8.162 -5.581 1.00 0.00 C ATOM 325 C LYS A 25 5.262 9.081 -4.951 1.00 0.00 C ATOM 326 O LYS A 25 4.289 8.618 -4.357 1.00 0.00 O ATOM 327 CB LYS A 25 6.042 8.019 -7.083 1.00 0.00 C ATOM 328 CG LYS A 25 7.177 8.540 -7.951 1.00 0.00 C ATOM 329 CD LYS A 25 6.652 9.271 -9.175 1.00 0.00 C ATOM 330 CE LYS A 25 5.821 10.483 -8.785 1.00 0.00 C ATOM 331 NZ LYS A 25 5.725 11.471 -9.894 1.00 0.00 N ATOM 0 H LYS A 25 5.908 6.104 -5.515 1.00 0.00 H new ATOM 0 HA LYS A 25 7.288 8.609 -5.433 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.871 6.968 -7.315 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.127 8.554 -7.336 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.805 9.212 -7.366 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.807 7.708 -8.265 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.489 9.587 -9.798 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.047 8.591 -9.775 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.820 10.160 -8.499 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.264 10.960 -7.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.150 12.282 -9.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.678 11.799 -10.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.279 11.023 -10.720 1.00 0.00 H new ATOM 345 N SER A 26 5.474 10.387 -5.087 1.00 0.00 N ATOM 346 CA SER A 26 4.553 11.373 -4.533 1.00 0.00 C ATOM 347 C SER A 26 3.158 11.204 -5.124 1.00 0.00 C ATOM 348 O SER A 26 2.159 11.226 -4.404 1.00 0.00 O ATOM 349 CB SER A 26 5.066 12.789 -4.802 1.00 0.00 C ATOM 350 OG SER A 26 4.788 13.650 -3.711 1.00 0.00 O ATOM 0 H SER A 26 6.275 10.786 -5.576 1.00 0.00 H new ATOM 0 HA SER A 26 4.494 11.215 -3.456 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.141 12.761 -4.982 1.00 0.00 H new ATOM 0 HB3 SER A 26 4.601 13.182 -5.706 1.00 0.00 H new ATOM 0 HG SER A 26 5.128 14.548 -3.908 1.00 0.00 H new ATOM 356 N SER A 27 3.097 11.033 -6.441 1.00 0.00 N ATOM 357 CA SER A 27 1.825 10.856 -7.131 1.00 0.00 C ATOM 358 C SER A 27 1.543 9.377 -7.373 1.00 0.00 C ATOM 359 O SER A 27 1.033 8.996 -8.427 1.00 0.00 O ATOM 360 CB SER A 27 1.833 11.612 -8.460 1.00 0.00 C ATOM 361 OG SER A 27 2.426 12.891 -8.316 1.00 0.00 O ATOM 0 H SER A 27 3.914 11.013 -7.051 1.00 0.00 H new ATOM 0 HA SER A 27 1.035 11.260 -6.498 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.380 11.036 -9.206 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.812 11.720 -8.826 1.00 0.00 H new ATOM 0 HG SER A 27 2.420 13.353 -9.180 1.00 0.00 H new ATOM 367 N THR A 28 1.883 8.547 -6.392 1.00 0.00 N ATOM 368 CA THR A 28 1.671 7.108 -6.496 1.00 0.00 C ATOM 369 C THR A 28 0.268 6.729 -6.032 1.00 0.00 C ATOM 370 O THR A 28 -0.035 6.777 -4.840 1.00 0.00 O ATOM 371 CB THR A 28 2.720 6.357 -5.669 1.00 0.00 C ATOM 372 OG1 THR A 28 3.982 6.394 -6.312 1.00 0.00 O ATOM 373 CG2 THR A 28 2.376 4.902 -5.426 1.00 0.00 C ATOM 0 H THR A 28 2.307 8.847 -5.514 1.00 0.00 H new ATOM 0 HA THR A 28 1.774 6.824 -7.543 1.00 0.00 H new ATOM 0 HB THR A 28 2.744 6.870 -4.708 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.279 5.480 -6.502 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.164 4.436 -4.834 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.431 4.837 -4.887 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.285 4.385 -6.381 1.00 0.00 H new ATOM 381 N THR A 29 -0.578 6.341 -6.979 1.00 0.00 N ATOM 382 CA THR A 29 -1.943 5.940 -6.662 1.00 0.00 C ATOM 383 C THR A 29 -1.973 4.497 -6.170 1.00 0.00 C ATOM 384 O THR A 29 -0.958 3.802 -6.200 1.00 0.00 O ATOM 385 CB THR A 29 -2.842 6.099 -7.890 1.00 0.00 C ATOM 386 OG1 THR A 29 -4.116 5.520 -7.661 1.00 0.00 O ATOM 387 CG2 THR A 29 -2.266 5.469 -9.141 1.00 0.00 C ATOM 0 H THR A 29 -0.343 6.296 -7.971 1.00 0.00 H new ATOM 0 HA THR A 29 -2.318 6.586 -5.868 1.00 0.00 H new ATOM 0 HB THR A 29 -2.922 7.174 -8.050 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.616 5.486 -8.503 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.954 5.618 -9.973 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.308 5.933 -9.374 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.121 4.401 -8.977 1.00 0.00 H new ATOM 395 N PHE A 30 -3.140 4.051 -5.714 1.00 0.00 N ATOM 396 CA PHE A 30 -3.297 2.687 -5.213 1.00 0.00 C ATOM 397 C PHE A 30 -2.671 1.673 -6.168 1.00 0.00 C ATOM 398 O PHE A 30 -2.101 0.671 -5.737 1.00 0.00 O ATOM 399 CB PHE A 30 -4.778 2.363 -5.009 1.00 0.00 C ATOM 400 CG PHE A 30 -5.015 1.035 -4.350 1.00 0.00 C ATOM 401 CD1 PHE A 30 -4.725 0.852 -3.007 1.00 0.00 C ATOM 402 CD2 PHE A 30 -5.528 -0.030 -5.072 1.00 0.00 C ATOM 403 CE1 PHE A 30 -4.943 -0.369 -2.398 1.00 0.00 C ATOM 404 CE2 PHE A 30 -5.748 -1.253 -4.468 1.00 0.00 C ATOM 405 CZ PHE A 30 -5.455 -1.422 -3.129 1.00 0.00 C ATOM 0 H PHE A 30 -3.991 4.613 -5.681 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.780 2.621 -4.256 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.233 3.147 -4.403 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.281 2.375 -5.976 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.324 1.673 -2.430 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.759 0.097 -6.119 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.713 -0.499 -1.351 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.148 -2.076 -5.042 1.00 0.00 H new ATOM 0 HZ PHE A 30 -5.626 -2.377 -2.654 1.00 0.00 H new ATOM 415 N PHE A 31 -2.779 1.944 -7.464 1.00 0.00 N ATOM 416 CA PHE A 31 -2.221 1.058 -8.479 1.00 0.00 C ATOM 417 C PHE A 31 -0.697 1.071 -8.427 1.00 0.00 C ATOM 418 O PHE A 31 -0.061 0.021 -8.334 1.00 0.00 O ATOM 419 CB PHE A 31 -2.698 1.477 -9.869 1.00 0.00 C ATOM 420 CG PHE A 31 -4.164 1.239 -10.098 1.00 0.00 C ATOM 421 CD1 PHE A 31 -4.667 -0.050 -10.168 1.00 0.00 C ATOM 422 CD2 PHE A 31 -5.038 2.304 -10.241 1.00 0.00 C ATOM 423 CE1 PHE A 31 -6.015 -0.273 -10.377 1.00 0.00 C ATOM 424 CE2 PHE A 31 -6.386 2.089 -10.451 1.00 0.00 C ATOM 425 CZ PHE A 31 -6.875 0.799 -10.519 1.00 0.00 C ATOM 0 H PHE A 31 -3.248 2.770 -7.836 1.00 0.00 H new ATOM 0 HA PHE A 31 -2.568 0.045 -8.275 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -2.483 2.536 -10.014 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.128 0.930 -10.620 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -3.998 -0.891 -10.058 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.661 3.315 -10.188 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -6.395 -1.283 -10.429 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.057 2.928 -10.562 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.929 0.628 -10.683 1.00 0.00 H new ATOM 435 N GLU A 32 -0.118 2.266 -8.483 1.00 0.00 N ATOM 436 CA GLU A 32 1.332 2.415 -8.439 1.00 0.00 C ATOM 437 C GLU A 32 1.901 1.783 -7.173 1.00 0.00 C ATOM 438 O GLU A 32 3.028 1.285 -7.167 1.00 0.00 O ATOM 439 CB GLU A 32 1.718 3.895 -8.503 1.00 0.00 C ATOM 440 CG GLU A 32 1.867 4.425 -9.920 1.00 0.00 C ATOM 441 CD GLU A 32 3.231 5.036 -10.176 1.00 0.00 C ATOM 442 OE1 GLU A 32 4.224 4.280 -10.206 1.00 0.00 O ATOM 443 OE2 GLU A 32 3.306 6.271 -10.346 1.00 0.00 O ATOM 0 H GLU A 32 -0.630 3.145 -8.559 1.00 0.00 H new ATOM 0 HA GLU A 32 1.753 1.902 -9.304 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.961 4.482 -7.982 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.657 4.040 -7.969 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.699 3.613 -10.627 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.097 5.174 -10.106 1.00 0.00 H new ATOM 450 N LEU A 33 1.111 1.802 -6.104 1.00 0.00 N ATOM 451 CA LEU A 33 1.531 1.226 -4.833 1.00 0.00 C ATOM 452 C LEU A 33 1.450 -0.295 -4.882 1.00 0.00 C ATOM 453 O LEU A 33 2.374 -0.990 -4.463 1.00 0.00 O ATOM 454 CB LEU A 33 0.661 1.768 -3.693 1.00 0.00 C ATOM 455 CG LEU A 33 0.854 1.085 -2.335 1.00 0.00 C ATOM 456 CD1 LEU A 33 2.332 0.979 -1.990 1.00 0.00 C ATOM 457 CD2 LEU A 33 0.107 1.843 -1.249 1.00 0.00 C ATOM 0 H LEU A 33 0.176 2.210 -6.093 1.00 0.00 H new ATOM 0 HA LEU A 33 2.567 1.510 -4.650 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.866 2.832 -3.577 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.386 1.674 -3.982 1.00 0.00 H new ATOM 0 HG LEU A 33 0.446 0.076 -2.398 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.446 0.491 -1.022 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.843 0.393 -2.754 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.768 1.977 -1.947 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.254 1.345 -0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.487 2.863 -1.190 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.957 1.865 -1.487 1.00 0.00 H new ATOM 469 N GLN A 34 0.339 -0.806 -5.406 1.00 0.00 N ATOM 470 CA GLN A 34 0.141 -2.246 -5.517 1.00 0.00 C ATOM 471 C GLN A 34 1.259 -2.884 -6.334 1.00 0.00 C ATOM 472 O GLN A 34 1.611 -4.046 -6.127 1.00 0.00 O ATOM 473 CB GLN A 34 -1.213 -2.547 -6.164 1.00 0.00 C ATOM 474 CG GLN A 34 -2.401 -2.166 -5.296 1.00 0.00 C ATOM 475 CD GLN A 34 -3.031 -3.364 -4.612 1.00 0.00 C ATOM 476 OE1 GLN A 34 -4.248 -3.547 -4.653 1.00 0.00 O ATOM 477 NE2 GLN A 34 -2.204 -4.186 -3.979 1.00 0.00 N ATOM 0 H GLN A 34 -0.436 -0.245 -5.759 1.00 0.00 H new ATOM 0 HA GLN A 34 0.159 -2.670 -4.513 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.280 -2.013 -7.112 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.268 -3.611 -6.393 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.079 -1.449 -4.541 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -3.150 -1.667 -5.911 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.202 -3.995 -3.971 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.570 -5.009 -3.500 1.00 0.00 H new ATOM 486 N GLU A 35 1.819 -2.113 -7.262 1.00 0.00 N ATOM 487 CA GLU A 35 2.901 -2.597 -8.109 1.00 0.00 C ATOM 488 C GLU A 35 4.245 -2.491 -7.393 1.00 0.00 C ATOM 489 O GLU A 35 5.182 -3.227 -7.702 1.00 0.00 O ATOM 490 CB GLU A 35 2.945 -1.806 -9.418 1.00 0.00 C ATOM 491 CG GLU A 35 4.029 -2.273 -10.376 1.00 0.00 C ATOM 492 CD GLU A 35 3.508 -2.504 -11.780 1.00 0.00 C ATOM 493 OE1 GLU A 35 2.987 -1.544 -12.387 1.00 0.00 O ATOM 494 OE2 GLU A 35 3.620 -3.645 -12.275 1.00 0.00 O ATOM 0 H GLU A 35 1.540 -1.149 -7.445 1.00 0.00 H new ATOM 0 HA GLU A 35 2.711 -3.647 -8.332 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.977 -1.884 -9.912 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.103 -0.752 -9.190 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.826 -1.530 -10.406 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.468 -3.197 -9.999 1.00 0.00 H new ATOM 501 N SER A 36 4.332 -1.575 -6.433 1.00 0.00 N ATOM 502 CA SER A 36 5.559 -1.377 -5.672 1.00 0.00 C ATOM 503 C SER A 36 5.807 -2.554 -4.734 1.00 0.00 C ATOM 504 O SER A 36 6.899 -3.122 -4.708 1.00 0.00 O ATOM 505 CB SER A 36 5.486 -0.073 -4.874 1.00 0.00 C ATOM 506 OG SER A 36 6.560 0.790 -5.207 1.00 0.00 O ATOM 0 H SER A 36 3.566 -0.958 -6.164 1.00 0.00 H new ATOM 0 HA SER A 36 6.390 -1.314 -6.374 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.538 0.427 -5.074 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.511 -0.294 -3.807 1.00 0.00 H new ATOM 0 HG SER A 36 6.593 1.533 -4.568 1.00 0.00 H new ATOM 512 N ILE A 37 4.784 -2.916 -3.967 1.00 0.00 N ATOM 513 CA ILE A 37 4.891 -4.029 -3.032 1.00 0.00 C ATOM 514 C ILE A 37 5.207 -5.323 -3.770 1.00 0.00 C ATOM 515 O ILE A 37 5.965 -6.161 -3.281 1.00 0.00 O ATOM 516 CB ILE A 37 3.591 -4.215 -2.226 1.00 0.00 C ATOM 517 CG1 ILE A 37 3.172 -2.894 -1.577 1.00 0.00 C ATOM 518 CG2 ILE A 37 3.770 -5.298 -1.173 1.00 0.00 C ATOM 519 CD1 ILE A 37 1.705 -2.575 -1.759 1.00 0.00 C ATOM 0 H ILE A 37 3.874 -2.456 -3.975 1.00 0.00 H new ATOM 0 HA ILE A 37 5.702 -3.793 -2.343 1.00 0.00 H new ATOM 0 HB ILE A 37 2.800 -4.528 -2.908 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.398 -2.933 -0.511 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.767 -2.085 -2.000 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.843 -5.417 -0.612 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.024 -6.240 -1.659 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.572 -5.014 -0.492 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.476 -1.626 -1.275 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.477 -2.504 -2.823 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.103 -3.365 -1.311 1.00 0.00 H new ATOM 531 N ALA A 38 4.627 -5.473 -4.957 1.00 0.00 N ATOM 532 CA ALA A 38 4.852 -6.660 -5.770 1.00 0.00 C ATOM 533 C ALA A 38 6.334 -6.825 -6.099 1.00 0.00 C ATOM 534 O ALA A 38 6.779 -7.909 -6.475 1.00 0.00 O ATOM 535 CB ALA A 38 4.026 -6.587 -7.045 1.00 0.00 C ATOM 0 H ALA A 38 3.999 -4.787 -5.376 1.00 0.00 H new ATOM 0 HA ALA A 38 4.537 -7.532 -5.198 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.203 -7.480 -7.645 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.968 -6.525 -6.790 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.314 -5.704 -7.615 1.00 0.00 H new ATOM 541 N ARG A 39 7.097 -5.743 -5.951 1.00 0.00 N ATOM 542 CA ARG A 39 8.528 -5.772 -6.229 1.00 0.00 C ATOM 543 C ARG A 39 9.308 -6.123 -4.967 1.00 0.00 C ATOM 544 O ARG A 39 10.191 -6.981 -4.986 1.00 0.00 O ATOM 545 CB ARG A 39 9.001 -4.419 -6.768 1.00 0.00 C ATOM 546 CG ARG A 39 7.950 -3.678 -7.582 1.00 0.00 C ATOM 547 CD ARG A 39 8.579 -2.601 -8.451 1.00 0.00 C ATOM 548 NE ARG A 39 7.605 -1.591 -8.860 1.00 0.00 N ATOM 549 CZ ARG A 39 7.838 -0.675 -9.797 1.00 0.00 C ATOM 550 NH1 ARG A 39 9.007 -0.637 -10.424 1.00 0.00 N ATOM 551 NH2 ARG A 39 6.898 0.208 -10.109 1.00 0.00 N ATOM 0 H ARG A 39 6.746 -4.837 -5.640 1.00 0.00 H new ATOM 0 HA ARG A 39 8.711 -6.536 -6.985 1.00 0.00 H new ATOM 0 HB2 ARG A 39 9.306 -3.792 -5.930 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.884 -4.574 -7.388 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.409 -4.385 -8.211 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.220 -3.226 -6.911 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.391 -2.122 -7.904 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.019 -3.060 -9.336 1.00 0.00 H new ATOM 0 HE ARG A 39 6.694 -1.588 -8.401 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.734 -1.313 -10.189 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.178 0.068 -11.141 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.997 0.185 -9.631 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.076 0.910 -10.827 1.00 0.00 H new ATOM 565 N GLU A 40 8.974 -5.449 -3.873 1.00 0.00 N ATOM 566 CA GLU A 40 9.638 -5.680 -2.596 1.00 0.00 C ATOM 567 C GLU A 40 9.281 -7.052 -2.030 1.00 0.00 C ATOM 568 O GLU A 40 10.065 -7.652 -1.295 1.00 0.00 O ATOM 569 CB GLU A 40 9.255 -4.585 -1.597 1.00 0.00 C ATOM 570 CG GLU A 40 10.329 -3.525 -1.415 1.00 0.00 C ATOM 571 CD GLU A 40 10.810 -2.948 -2.733 1.00 0.00 C ATOM 572 OE1 GLU A 40 10.019 -2.932 -3.699 1.00 0.00 O ATOM 573 OE2 GLU A 40 11.980 -2.513 -2.798 1.00 0.00 O ATOM 0 H GLU A 40 8.245 -4.736 -3.845 1.00 0.00 H new ATOM 0 HA GLU A 40 10.714 -5.651 -2.765 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.335 -4.105 -1.932 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.042 -5.044 -0.632 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.938 -2.721 -0.792 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.175 -3.959 -0.882 1.00 0.00 H new ATOM 580 N PHE A 41 8.093 -7.542 -2.373 1.00 0.00 N ATOM 581 CA PHE A 41 7.637 -8.841 -1.894 1.00 0.00 C ATOM 582 C PHE A 41 7.364 -9.790 -3.056 1.00 0.00 C ATOM 583 O PHE A 41 7.635 -9.466 -4.212 1.00 0.00 O ATOM 584 CB PHE A 41 6.377 -8.675 -1.045 1.00 0.00 C ATOM 585 CG PHE A 41 6.557 -7.734 0.112 1.00 0.00 C ATOM 586 CD1 PHE A 41 6.428 -6.365 -0.064 1.00 0.00 C ATOM 587 CD2 PHE A 41 6.858 -8.218 1.374 1.00 0.00 C ATOM 588 CE1 PHE A 41 6.595 -5.498 0.999 1.00 0.00 C ATOM 589 CE2 PHE A 41 7.025 -7.356 2.441 1.00 0.00 C ATOM 590 CZ PHE A 41 6.894 -5.994 2.253 1.00 0.00 C ATOM 0 H PHE A 41 7.430 -7.059 -2.980 1.00 0.00 H new ATOM 0 HA PHE A 41 8.428 -9.273 -1.281 1.00 0.00 H new ATOM 0 HB2 PHE A 41 5.567 -8.311 -1.677 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.072 -9.650 -0.666 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.194 -5.972 -1.042 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.964 -9.282 1.526 1.00 0.00 H new ATOM 0 HE1 PHE A 41 6.492 -4.433 0.849 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.258 -7.747 3.421 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.025 -5.318 3.085 1.00 0.00 H new ATOM 600 N ASN A 42 6.831 -10.967 -2.740 1.00 0.00 N ATOM 601 CA ASN A 42 6.526 -11.966 -3.758 1.00 0.00 C ATOM 602 C ASN A 42 5.018 -12.147 -3.916 1.00 0.00 C ATOM 603 O ASN A 42 4.530 -13.269 -4.058 1.00 0.00 O ATOM 604 CB ASN A 42 7.177 -13.303 -3.398 1.00 0.00 C ATOM 605 CG ASN A 42 8.689 -13.209 -3.325 1.00 0.00 C ATOM 606 OD1 ASN A 42 9.396 -13.689 -4.210 1.00 0.00 O ATOM 607 ND2 ASN A 42 9.192 -12.588 -2.264 1.00 0.00 N ATOM 0 H ASN A 42 6.602 -11.252 -1.788 1.00 0.00 H new ATOM 0 HA ASN A 42 6.930 -11.614 -4.707 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.790 -13.645 -2.438 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.898 -14.051 -4.140 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.202 -12.494 -2.159 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.568 -12.205 -1.554 1.00 0.00 H new ATOM 614 N ILE A 43 4.286 -11.037 -3.899 1.00 0.00 N ATOM 615 CA ILE A 43 2.839 -11.076 -4.047 1.00 0.00 C ATOM 616 C ILE A 43 2.383 -10.133 -5.159 1.00 0.00 C ATOM 617 O ILE A 43 2.854 -9.001 -5.258 1.00 0.00 O ATOM 618 CB ILE A 43 2.124 -10.697 -2.736 1.00 0.00 C ATOM 619 CG1 ILE A 43 2.653 -11.547 -1.581 1.00 0.00 C ATOM 620 CG2 ILE A 43 0.618 -10.869 -2.880 1.00 0.00 C ATOM 621 CD1 ILE A 43 3.560 -10.785 -0.644 1.00 0.00 C ATOM 0 H ILE A 43 4.673 -10.100 -3.784 1.00 0.00 H new ATOM 0 HA ILE A 43 2.572 -12.101 -4.306 1.00 0.00 H new ATOM 0 HB ILE A 43 2.329 -9.649 -2.518 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.810 -11.944 -1.016 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.196 -12.401 -1.986 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.130 -10.597 -1.944 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.253 -10.225 -3.680 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.392 -11.908 -3.118 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.900 -11.447 0.152 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.422 -10.410 -1.196 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.014 -9.947 -0.211 1.00 0.00 H new ATOM 633 N PRO A 44 1.457 -10.595 -6.014 1.00 0.00 N ATOM 634 CA PRO A 44 0.939 -9.793 -7.126 1.00 0.00 C ATOM 635 C PRO A 44 0.043 -8.650 -6.653 1.00 0.00 C ATOM 636 O PRO A 44 -0.373 -8.615 -5.496 1.00 0.00 O ATOM 637 CB PRO A 44 0.134 -10.802 -7.947 1.00 0.00 C ATOM 638 CG PRO A 44 -0.261 -11.860 -6.975 1.00 0.00 C ATOM 639 CD PRO A 44 0.850 -11.935 -5.964 1.00 0.00 C ATOM 0 HA PRO A 44 1.739 -9.310 -7.686 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -0.741 -10.335 -8.399 1.00 0.00 H new ATOM 0 HB3 PRO A 44 0.731 -11.215 -8.760 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -1.208 -11.614 -6.495 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -0.397 -12.818 -7.476 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.471 -12.166 -4.969 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.572 -12.711 -6.218 1.00 0.00 H new ATOM 647 N PRO A 45 -0.261 -7.694 -7.547 1.00 0.00 N ATOM 648 CA PRO A 45 -1.106 -6.540 -7.217 1.00 0.00 C ATOM 649 C PRO A 45 -2.562 -6.924 -6.967 1.00 0.00 C ATOM 650 O PRO A 45 -3.307 -6.176 -6.335 1.00 0.00 O ATOM 651 CB PRO A 45 -0.995 -5.649 -8.456 1.00 0.00 C ATOM 652 CG PRO A 45 -0.646 -6.579 -9.565 1.00 0.00 C ATOM 653 CD PRO A 45 0.198 -7.660 -8.949 1.00 0.00 C ATOM 0 HA PRO A 45 -0.782 -6.058 -6.295 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -1.933 -5.130 -8.655 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.229 -4.884 -8.326 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.544 -6.997 -10.021 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.101 -6.059 -10.353 1.00 0.00 H new ATOM 0 HD2 PRO A 45 0.047 -8.619 -9.445 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.261 -7.429 -9.018 1.00 0.00 H new ATOM 661 N TYR A 46 -2.965 -8.089 -7.468 1.00 0.00 N ATOM 662 CA TYR A 46 -4.339 -8.552 -7.292 1.00 0.00 C ATOM 663 C TYR A 46 -4.472 -9.459 -6.068 1.00 0.00 C ATOM 664 O TYR A 46 -5.496 -10.117 -5.884 1.00 0.00 O ATOM 665 CB TYR A 46 -4.822 -9.284 -8.548 1.00 0.00 C ATOM 666 CG TYR A 46 -4.128 -10.606 -8.792 1.00 0.00 C ATOM 667 CD1 TYR A 46 -2.916 -10.662 -9.466 1.00 0.00 C ATOM 668 CD2 TYR A 46 -4.690 -11.798 -8.352 1.00 0.00 C ATOM 669 CE1 TYR A 46 -2.280 -11.868 -9.693 1.00 0.00 C ATOM 670 CE2 TYR A 46 -4.060 -13.008 -8.575 1.00 0.00 C ATOM 671 CZ TYR A 46 -2.857 -13.038 -9.246 1.00 0.00 C ATOM 672 OH TYR A 46 -2.227 -14.241 -9.471 1.00 0.00 O ATOM 0 H TYR A 46 -2.366 -8.725 -7.995 1.00 0.00 H new ATOM 0 HA TYR A 46 -4.965 -7.675 -7.129 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.895 -9.458 -8.465 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.669 -8.639 -9.414 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.462 -9.748 -9.819 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.634 -11.779 -7.828 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.336 -11.894 -10.218 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.509 -13.926 -8.225 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.764 -14.968 -9.092 1.00 0.00 H new ATOM 682 N LEU A 47 -3.438 -9.486 -5.229 1.00 0.00 N ATOM 683 CA LEU A 47 -3.455 -10.311 -4.023 1.00 0.00 C ATOM 684 C LEU A 47 -2.847 -9.572 -2.831 1.00 0.00 C ATOM 685 O LEU A 47 -2.648 -10.162 -1.770 1.00 0.00 O ATOM 686 CB LEU A 47 -2.689 -11.614 -4.257 1.00 0.00 C ATOM 687 CG LEU A 47 -3.301 -12.554 -5.293 1.00 0.00 C ATOM 688 CD1 LEU A 47 -2.359 -13.714 -5.575 1.00 0.00 C ATOM 689 CD2 LEU A 47 -4.652 -13.068 -4.821 1.00 0.00 C ATOM 0 H LEU A 47 -2.581 -8.948 -5.361 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.497 -10.536 -3.796 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.674 -11.368 -4.568 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.612 -12.146 -3.309 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.453 -11.996 -6.217 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.808 -14.376 -6.315 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.413 -13.330 -5.958 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.179 -14.269 -4.654 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.070 -13.736 -5.574 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.528 -13.610 -3.884 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.328 -12.227 -4.667 1.00 0.00 H new ATOM 701 N GLN A 48 -2.549 -8.287 -3.005 1.00 0.00 N ATOM 702 CA GLN A 48 -1.961 -7.497 -1.930 1.00 0.00 C ATOM 703 C GLN A 48 -2.954 -6.480 -1.381 1.00 0.00 C ATOM 704 O GLN A 48 -3.311 -5.515 -2.056 1.00 0.00 O ATOM 705 CB GLN A 48 -0.704 -6.781 -2.427 1.00 0.00 C ATOM 706 CG GLN A 48 0.462 -7.720 -2.693 1.00 0.00 C ATOM 707 CD GLN A 48 1.656 -7.018 -3.311 1.00 0.00 C ATOM 708 OE1 GLN A 48 2.790 -7.191 -2.863 1.00 0.00 O ATOM 709 NE2 GLN A 48 1.410 -6.223 -4.345 1.00 0.00 N ATOM 0 H GLN A 48 -2.704 -7.775 -3.873 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.693 -8.179 -1.123 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.941 -6.240 -3.343 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.402 -6.039 -1.688 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.766 -8.187 -1.757 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.134 -8.520 -3.357 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.455 -6.108 -4.684 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.176 -5.727 -4.800 1.00 0.00 H new ATOM 718 N CYS A 49 -3.381 -6.694 -0.141 1.00 0.00 N ATOM 719 CA CYS A 49 -4.316 -5.789 0.513 1.00 0.00 C ATOM 720 C CYS A 49 -3.562 -4.891 1.488 1.00 0.00 C ATOM 721 O CYS A 49 -3.130 -5.338 2.550 1.00 0.00 O ATOM 722 CB CYS A 49 -5.405 -6.582 1.243 1.00 0.00 C ATOM 723 SG CYS A 49 -6.552 -5.564 2.201 1.00 0.00 S ATOM 0 H CYS A 49 -3.093 -7.488 0.431 1.00 0.00 H new ATOM 0 HA CYS A 49 -4.798 -5.167 -0.241 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -5.972 -7.156 0.511 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.929 -7.299 1.912 1.00 0.00 H new ATOM 0 HG CYS A 49 -7.433 -6.327 2.777 1.00 0.00 H new ATOM 729 N ILE A 50 -3.388 -3.631 1.103 1.00 0.00 N ATOM 730 CA ILE A 50 -2.661 -2.668 1.923 1.00 0.00 C ATOM 731 C ILE A 50 -3.497 -2.163 3.094 1.00 0.00 C ATOM 732 O ILE A 50 -4.723 -2.097 3.019 1.00 0.00 O ATOM 733 CB ILE A 50 -2.195 -1.461 1.084 1.00 0.00 C ATOM 734 CG1 ILE A 50 -1.455 -1.937 -0.168 1.00 0.00 C ATOM 735 CG2 ILE A 50 -1.306 -0.545 1.913 1.00 0.00 C ATOM 736 CD1 ILE A 50 -1.660 -1.040 -1.370 1.00 0.00 C ATOM 0 H ILE A 50 -3.742 -3.252 0.225 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.793 -3.197 2.317 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.074 -0.896 0.773 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.389 -1.999 0.051 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.788 -2.945 -0.416 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.987 0.301 1.304 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.863 -0.181 2.776 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.430 -1.098 2.253 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.106 -1.439 -2.220 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.721 -0.998 -1.616 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.300 -0.037 -1.141 1.00 0.00 H new ATOM 748 N ARG A 51 -2.809 -1.799 4.173 1.00 0.00 N ATOM 749 CA ARG A 51 -3.460 -1.287 5.372 1.00 0.00 C ATOM 750 C ARG A 51 -2.575 -0.246 6.052 1.00 0.00 C ATOM 751 O ARG A 51 -1.358 -0.414 6.131 1.00 0.00 O ATOM 752 CB ARG A 51 -3.763 -2.428 6.344 1.00 0.00 C ATOM 753 CG ARG A 51 -4.653 -3.511 5.757 1.00 0.00 C ATOM 754 CD ARG A 51 -5.616 -4.063 6.794 1.00 0.00 C ATOM 755 NE ARG A 51 -6.702 -4.827 6.183 1.00 0.00 N ATOM 756 CZ ARG A 51 -7.697 -5.380 6.871 1.00 0.00 C ATOM 757 NH1 ARG A 51 -7.748 -5.260 8.191 1.00 0.00 N ATOM 758 NH2 ARG A 51 -8.645 -6.058 6.237 1.00 0.00 N ATOM 0 H ARG A 51 -1.792 -1.851 4.240 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.399 -0.816 5.079 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.824 -2.877 6.667 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.243 -2.018 7.233 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.216 -3.105 4.916 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.035 -4.319 5.366 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.072 -4.701 7.491 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.034 -3.240 7.375 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.697 -4.943 5.170 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.021 -4.741 8.684 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.514 -5.686 8.713 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.611 -6.155 5.222 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.408 -6.482 6.764 1.00 0.00 H new ATOM 772 N TYR A 52 -3.188 0.832 6.533 1.00 0.00 N ATOM 773 CA TYR A 52 -2.439 1.896 7.195 1.00 0.00 C ATOM 774 C TYR A 52 -3.151 2.373 8.458 1.00 0.00 C ATOM 775 O TYR A 52 -4.325 2.074 8.675 1.00 0.00 O ATOM 776 CB TYR A 52 -2.233 3.071 6.237 1.00 0.00 C ATOM 777 CG TYR A 52 -3.505 3.820 5.906 1.00 0.00 C ATOM 778 CD1 TYR A 52 -4.375 3.354 4.928 1.00 0.00 C ATOM 779 CD2 TYR A 52 -3.836 4.994 6.574 1.00 0.00 C ATOM 780 CE1 TYR A 52 -5.538 4.036 4.624 1.00 0.00 C ATOM 781 CE2 TYR A 52 -4.998 5.681 6.275 1.00 0.00 C ATOM 782 CZ TYR A 52 -5.845 5.198 5.301 1.00 0.00 C ATOM 783 OH TYR A 52 -7.001 5.879 5.000 1.00 0.00 O ATOM 0 H TYR A 52 -4.194 0.992 6.478 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.469 1.492 7.485 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.518 3.766 6.678 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.790 2.701 5.313 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.139 2.444 4.397 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.175 5.375 7.338 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.203 3.661 3.860 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.241 6.592 6.802 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.069 6.675 5.567 1.00 0.00 H new ATOM 793 N GLY A 53 -2.428 3.124 9.283 1.00 0.00 N ATOM 794 CA GLY A 53 -2.997 3.643 10.512 1.00 0.00 C ATOM 795 C GLY A 53 -3.338 2.554 11.509 1.00 0.00 C ATOM 796 O GLY A 53 -3.474 1.386 11.143 1.00 0.00 O ATOM 0 H GLY A 53 -1.455 3.383 9.121 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.292 4.338 10.968 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.898 4.210 10.278 1.00 0.00 H new ATOM 800 N PHE A 54 -3.479 2.939 12.774 1.00 0.00 N ATOM 801 CA PHE A 54 -3.811 1.995 13.833 1.00 0.00 C ATOM 802 C PHE A 54 -5.191 2.307 14.416 1.00 0.00 C ATOM 803 O PHE A 54 -5.408 3.397 14.948 1.00 0.00 O ATOM 804 CB PHE A 54 -2.751 2.045 14.937 1.00 0.00 C ATOM 805 CG PHE A 54 -1.975 0.768 15.081 1.00 0.00 C ATOM 806 CD1 PHE A 54 -2.595 -0.387 15.532 1.00 0.00 C ATOM 807 CD2 PHE A 54 -0.627 0.720 14.765 1.00 0.00 C ATOM 808 CE1 PHE A 54 -1.885 -1.565 15.665 1.00 0.00 C ATOM 809 CE2 PHE A 54 0.089 -0.454 14.896 1.00 0.00 C ATOM 810 CZ PHE A 54 -0.541 -1.598 15.346 1.00 0.00 C ATOM 0 H PHE A 54 -3.368 3.902 13.090 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.832 0.992 13.407 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.058 2.860 14.728 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -3.236 2.275 15.886 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -3.645 -0.366 15.782 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.130 1.611 14.412 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.380 -2.458 16.018 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.140 -0.477 14.647 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.016 -2.517 15.448 1.00 0.00 H new ATOM 820 N PRO A 55 -6.153 1.365 14.325 1.00 0.00 N ATOM 821 CA PRO A 55 -5.949 0.050 13.700 1.00 0.00 C ATOM 822 C PRO A 55 -5.708 0.144 12.195 1.00 0.00 C ATOM 823 O PRO A 55 -5.913 1.196 11.588 1.00 0.00 O ATOM 824 CB PRO A 55 -7.258 -0.690 13.984 1.00 0.00 C ATOM 825 CG PRO A 55 -8.266 0.386 14.192 1.00 0.00 C ATOM 826 CD PRO A 55 -7.525 1.521 14.838 1.00 0.00 C ATOM 0 HA PRO A 55 -5.065 -0.449 14.096 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.536 -1.336 13.151 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.170 -1.325 14.865 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.708 0.696 13.245 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -9.082 0.040 14.827 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -7.950 2.487 14.564 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.558 1.456 15.926 1.00 0.00 H new ATOM 834 N PRO A 56 -5.263 -0.963 11.575 1.00 0.00 N ATOM 835 CA PRO A 56 -4.988 -1.009 10.138 1.00 0.00 C ATOM 836 C PRO A 56 -6.257 -0.933 9.301 1.00 0.00 C ATOM 837 O PRO A 56 -7.191 -1.712 9.491 1.00 0.00 O ATOM 838 CB PRO A 56 -4.304 -2.365 9.946 1.00 0.00 C ATOM 839 CG PRO A 56 -4.790 -3.197 11.078 1.00 0.00 C ATOM 840 CD PRO A 56 -4.993 -2.252 12.230 1.00 0.00 C ATOM 0 HA PRO A 56 -4.383 -0.162 9.815 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.568 -2.809 8.986 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.219 -2.267 9.964 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.720 -3.702 10.819 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.066 -3.972 11.332 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -5.825 -2.563 12.862 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.110 -2.201 12.867 1.00 0.00 H new ATOM 848 N LYS A 57 -6.274 0.009 8.371 1.00 0.00 N ATOM 849 CA LYS A 57 -7.417 0.199 7.489 1.00 0.00 C ATOM 850 C LYS A 57 -7.278 -0.666 6.243 1.00 0.00 C ATOM 851 O LYS A 57 -6.265 -1.340 6.057 1.00 0.00 O ATOM 852 CB LYS A 57 -7.541 1.669 7.085 1.00 0.00 C ATOM 853 CG LYS A 57 -7.948 2.582 8.230 1.00 0.00 C ATOM 854 CD LYS A 57 -8.442 3.930 7.722 1.00 0.00 C ATOM 855 CE LYS A 57 -9.807 4.276 8.295 1.00 0.00 C ATOM 856 NZ LYS A 57 -10.105 5.730 8.180 1.00 0.00 N ATOM 0 H LYS A 57 -5.505 0.658 8.206 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.317 -0.098 8.028 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.587 2.008 6.682 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.274 1.756 6.283 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -8.732 2.104 8.817 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.098 2.732 8.896 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.726 4.706 7.992 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.497 3.912 6.634 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.575 3.706 7.773 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.847 3.979 9.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.044 5.925 8.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.387 6.274 8.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.093 6.009 7.178 1.00 0.00 H new ATOM 870 N GLU A 58 -8.294 -0.645 5.391 1.00 0.00 N ATOM 871 CA GLU A 58 -8.270 -1.429 4.164 1.00 0.00 C ATOM 872 C GLU A 58 -8.288 -0.522 2.939 1.00 0.00 C ATOM 873 O GLU A 58 -9.301 -0.420 2.251 1.00 0.00 O ATOM 874 CB GLU A 58 -9.455 -2.394 4.119 1.00 0.00 C ATOM 875 CG GLU A 58 -9.218 -3.600 3.225 1.00 0.00 C ATOM 876 CD GLU A 58 -10.383 -4.571 3.233 1.00 0.00 C ATOM 877 OE1 GLU A 58 -11.539 -4.110 3.344 1.00 0.00 O ATOM 878 OE2 GLU A 58 -10.140 -5.792 3.130 1.00 0.00 O ATOM 0 H GLU A 58 -9.143 -0.095 5.526 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.346 -2.007 4.153 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.673 -2.738 5.130 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.337 -1.858 3.768 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.039 -3.261 2.204 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.316 -4.118 3.552 1.00 0.00 H new ATOM 885 N LEU A 59 -7.157 0.135 2.682 1.00 0.00 N ATOM 886 CA LEU A 59 -7.019 1.042 1.540 1.00 0.00 C ATOM 887 C LEU A 59 -7.626 0.439 0.276 1.00 0.00 C ATOM 888 O LEU A 59 -6.933 -0.190 -0.524 1.00 0.00 O ATOM 889 CB LEU A 59 -5.540 1.367 1.305 1.00 0.00 C ATOM 890 CG LEU A 59 -5.263 2.581 0.412 1.00 0.00 C ATOM 891 CD1 LEU A 59 -6.132 3.761 0.818 1.00 0.00 C ATOM 892 CD2 LEU A 59 -3.790 2.958 0.475 1.00 0.00 C ATOM 0 H LEU A 59 -6.316 0.055 3.254 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.560 1.959 1.771 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.065 1.534 2.272 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.061 0.495 0.861 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.512 2.314 -0.615 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.918 4.611 0.170 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.183 3.488 0.723 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.919 4.031 1.852 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.608 3.822 -0.164 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.521 3.204 1.502 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.185 2.119 0.132 1.00 0.00 H new ATOM 904 N MET A 60 -8.929 0.630 0.113 1.00 0.00 N ATOM 905 CA MET A 60 -9.650 0.105 -1.042 1.00 0.00 C ATOM 906 C MET A 60 -9.137 0.722 -2.340 1.00 0.00 C ATOM 907 O MET A 60 -8.575 1.817 -2.339 1.00 0.00 O ATOM 908 CB MET A 60 -11.148 0.375 -0.896 1.00 0.00 C ATOM 909 CG MET A 60 -11.487 1.848 -0.741 1.00 0.00 C ATOM 910 SD MET A 60 -13.179 2.120 -0.183 1.00 0.00 S ATOM 911 CE MET A 60 -13.086 3.822 0.366 1.00 0.00 C ATOM 0 H MET A 60 -9.512 1.148 0.770 1.00 0.00 H new ATOM 0 HA MET A 60 -9.479 -0.971 -1.084 1.00 0.00 H new ATOM 0 HB2 MET A 60 -11.667 -0.019 -1.770 1.00 0.00 H new ATOM 0 HB3 MET A 60 -11.524 -0.169 -0.030 1.00 0.00 H new ATOM 0 HG2 MET A 60 -10.797 2.302 -0.030 1.00 0.00 H new ATOM 0 HG3 MET A 60 -11.338 2.353 -1.696 1.00 0.00 H new ATOM 0 HE1 MET A 60 -14.060 4.137 0.741 1.00 0.00 H new ATOM 0 HE2 MET A 60 -12.346 3.908 1.162 1.00 0.00 H new ATOM 0 HE3 MET A 60 -12.796 4.459 -0.470 1.00 0.00 H new ATOM 921 N PRO A 61 -9.327 0.021 -3.472 1.00 0.00 N ATOM 922 CA PRO A 61 -8.884 0.503 -4.782 1.00 0.00 C ATOM 923 C PRO A 61 -9.765 1.631 -5.310 1.00 0.00 C ATOM 924 O PRO A 61 -10.986 1.604 -5.150 1.00 0.00 O ATOM 925 CB PRO A 61 -9.008 -0.733 -5.672 1.00 0.00 C ATOM 926 CG PRO A 61 -10.089 -1.543 -5.043 1.00 0.00 C ATOM 927 CD PRO A 61 -9.990 -1.296 -3.561 1.00 0.00 C ATOM 0 HA PRO A 61 -7.878 0.920 -4.746 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.262 -0.460 -6.696 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.070 -1.287 -5.713 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -11.067 -1.248 -5.422 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.965 -2.602 -5.270 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.973 -1.283 -3.090 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.409 -2.072 -3.063 1.00 0.00 H new ATOM 935 N PRO A 62 -9.156 2.644 -5.949 1.00 0.00 N ATOM 936 CA PRO A 62 -9.891 3.786 -6.499 1.00 0.00 C ATOM 937 C PRO A 62 -10.743 3.403 -7.703 1.00 0.00 C ATOM 938 O PRO A 62 -10.888 2.223 -8.025 1.00 0.00 O ATOM 939 CB PRO A 62 -8.786 4.755 -6.917 1.00 0.00 C ATOM 940 CG PRO A 62 -7.593 3.898 -7.154 1.00 0.00 C ATOM 941 CD PRO A 62 -7.704 2.757 -6.182 1.00 0.00 C ATOM 0 HA PRO A 62 -10.591 4.203 -5.775 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.062 5.305 -7.817 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.593 5.494 -6.139 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.571 3.535 -8.181 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.672 4.458 -6.994 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.291 1.837 -6.594 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -7.164 2.963 -5.258 1.00 0.00 H new ATOM 949 N GLN A 63 -11.303 4.409 -8.365 1.00 0.00 N ATOM 950 CA GLN A 63 -12.140 4.184 -9.535 1.00 0.00 C ATOM 951 C GLN A 63 -11.905 5.266 -10.585 1.00 0.00 C ATOM 952 O GLN A 63 -10.978 6.067 -10.466 1.00 0.00 O ATOM 953 CB GLN A 63 -13.617 4.156 -9.132 1.00 0.00 C ATOM 954 CG GLN A 63 -14.129 5.485 -8.602 1.00 0.00 C ATOM 955 CD GLN A 63 -15.097 5.319 -7.447 1.00 0.00 C ATOM 956 OE1 GLN A 63 -16.252 5.739 -7.524 1.00 0.00 O ATOM 957 NE2 GLN A 63 -14.629 4.705 -6.367 1.00 0.00 N ATOM 0 H GLN A 63 -11.191 5.390 -8.110 1.00 0.00 H new ATOM 0 HA GLN A 63 -11.871 3.220 -9.967 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -14.215 3.864 -9.995 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -13.762 3.390 -8.370 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -13.284 6.093 -8.278 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -14.622 6.028 -9.409 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -13.665 4.373 -6.347 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -15.234 4.565 -5.558 1.00 0.00 H new ATOM 966 N ALA A 64 -12.747 5.284 -11.613 1.00 0.00 N ATOM 967 CA ALA A 64 -12.628 6.269 -12.682 1.00 0.00 C ATOM 968 C ALA A 64 -12.682 7.691 -12.132 1.00 0.00 C ATOM 969 O ALA A 64 -13.760 8.248 -11.931 1.00 0.00 O ATOM 970 CB ALA A 64 -13.723 6.060 -13.716 1.00 0.00 C ATOM 0 H ALA A 64 -13.519 4.628 -11.728 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.659 6.131 -13.161 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.622 6.802 -14.508 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -13.635 5.061 -14.142 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -14.698 6.167 -13.240 1.00 0.00 H new ATOM 976 N GLY A 65 -11.511 8.271 -11.890 1.00 0.00 N ATOM 977 CA GLY A 65 -11.447 9.623 -11.366 1.00 0.00 C ATOM 978 C GLY A 65 -10.562 9.729 -10.139 1.00 0.00 C ATOM 979 O GLY A 65 -9.965 10.775 -9.884 1.00 0.00 O ATOM 0 H GLY A 65 -10.605 7.829 -12.047 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.071 10.292 -12.140 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.453 9.960 -11.115 1.00 0.00 H new ATOM 983 N MET A 66 -10.478 8.643 -9.376 1.00 0.00 N ATOM 984 CA MET A 66 -9.662 8.618 -8.169 1.00 0.00 C ATOM 985 C MET A 66 -8.362 7.850 -8.399 1.00 0.00 C ATOM 986 O MET A 66 -7.386 8.034 -7.673 1.00 0.00 O ATOM 987 CB MET A 66 -10.442 7.987 -7.014 1.00 0.00 C ATOM 988 CG MET A 66 -11.507 8.898 -6.428 1.00 0.00 C ATOM 989 SD MET A 66 -12.820 7.984 -5.596 1.00 0.00 S ATOM 990 CE MET A 66 -13.361 9.192 -4.390 1.00 0.00 C ATOM 0 H MET A 66 -10.966 7.769 -9.573 1.00 0.00 H new ATOM 0 HA MET A 66 -9.411 9.647 -7.912 1.00 0.00 H new ATOM 0 HB2 MET A 66 -10.914 7.069 -7.364 1.00 0.00 H new ATOM 0 HB3 MET A 66 -9.743 7.705 -6.226 1.00 0.00 H new ATOM 0 HG2 MET A 66 -11.043 9.585 -5.720 1.00 0.00 H new ATOM 0 HG3 MET A 66 -11.939 9.504 -7.224 1.00 0.00 H new ATOM 0 HE1 MET A 66 -14.173 8.774 -3.795 1.00 0.00 H new ATOM 0 HE2 MET A 66 -12.528 9.451 -3.736 1.00 0.00 H new ATOM 0 HE3 MET A 66 -13.711 10.087 -4.904 1.00 0.00 H new ATOM 1000 N GLU A 67 -8.354 6.990 -9.414 1.00 0.00 N ATOM 1001 CA GLU A 67 -7.171 6.197 -9.735 1.00 0.00 C ATOM 1002 C GLU A 67 -5.947 7.087 -9.936 1.00 0.00 C ATOM 1003 O GLU A 67 -4.812 6.644 -9.770 1.00 0.00 O ATOM 1004 CB GLU A 67 -7.418 5.361 -10.993 1.00 0.00 C ATOM 1005 CG GLU A 67 -7.885 6.181 -12.186 1.00 0.00 C ATOM 1006 CD GLU A 67 -7.608 5.492 -13.509 1.00 0.00 C ATOM 1007 OE1 GLU A 67 -7.482 4.250 -13.517 1.00 0.00 O ATOM 1008 OE2 GLU A 67 -7.519 6.197 -14.536 1.00 0.00 O ATOM 0 H GLU A 67 -9.152 6.825 -10.027 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.976 5.532 -8.894 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.499 4.839 -11.259 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.165 4.599 -10.772 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.955 6.371 -12.096 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.387 7.151 -12.174 1.00 0.00 H new ATOM 1015 N LYS A 68 -6.186 8.344 -10.296 1.00 0.00 N ATOM 1016 CA LYS A 68 -5.102 9.293 -10.521 1.00 0.00 C ATOM 1017 C LYS A 68 -4.580 9.858 -9.201 1.00 0.00 C ATOM 1018 O LYS A 68 -3.441 10.320 -9.121 1.00 0.00 O ATOM 1019 CB LYS A 68 -5.577 10.433 -11.424 1.00 0.00 C ATOM 1020 CG LYS A 68 -6.266 9.956 -12.692 1.00 0.00 C ATOM 1021 CD LYS A 68 -7.173 11.028 -13.270 1.00 0.00 C ATOM 1022 CE LYS A 68 -8.312 11.369 -12.322 1.00 0.00 C ATOM 1023 NZ LYS A 68 -8.072 12.651 -11.603 1.00 0.00 N ATOM 0 H LYS A 68 -7.120 8.729 -10.438 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.286 8.761 -11.011 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.264 11.068 -10.864 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.721 11.051 -11.696 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.516 9.675 -13.431 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.850 9.062 -12.475 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.590 11.926 -13.477 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.581 10.686 -14.221 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -9.244 11.437 -12.884 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.434 10.564 -11.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.349 12.547 -10.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.063 12.897 -11.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.637 13.406 -12.042 1.00 0.00 H new ATOM 1037 N GLU A 69 -5.416 9.819 -8.167 1.00 0.00 N ATOM 1038 CA GLU A 69 -5.032 10.330 -6.856 1.00 0.00 C ATOM 1039 C GLU A 69 -3.973 9.437 -6.211 1.00 0.00 C ATOM 1040 O GLU A 69 -3.983 8.219 -6.392 1.00 0.00 O ATOM 1041 CB GLU A 69 -6.257 10.431 -5.943 1.00 0.00 C ATOM 1042 CG GLU A 69 -6.873 11.821 -5.904 1.00 0.00 C ATOM 1043 CD GLU A 69 -6.723 12.487 -4.550 1.00 0.00 C ATOM 1044 OE1 GLU A 69 -5.669 13.111 -4.308 1.00 0.00 O ATOM 1045 OE2 GLU A 69 -7.662 12.387 -3.732 1.00 0.00 O ATOM 0 H GLU A 69 -6.362 9.440 -8.212 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.608 11.325 -6.993 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.010 9.718 -6.279 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.971 10.141 -4.932 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.404 12.444 -6.665 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.931 11.753 -6.156 1.00 0.00 H new ATOM 1052 N PRO A 70 -3.040 10.034 -5.448 1.00 0.00 N ATOM 1053 CA PRO A 70 -1.970 9.289 -4.779 1.00 0.00 C ATOM 1054 C PRO A 70 -2.453 8.564 -3.529 1.00 0.00 C ATOM 1055 O PRO A 70 -3.553 8.812 -3.037 1.00 0.00 O ATOM 1056 CB PRO A 70 -0.968 10.380 -4.410 1.00 0.00 C ATOM 1057 CG PRO A 70 -1.799 11.601 -4.218 1.00 0.00 C ATOM 1058 CD PRO A 70 -2.951 11.485 -5.182 1.00 0.00 C ATOM 0 HA PRO A 70 -1.560 8.504 -5.415 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -0.421 10.126 -3.502 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -0.229 10.523 -5.198 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -2.157 11.670 -3.191 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.217 12.502 -4.414 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.875 11.870 -4.750 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.767 12.049 -6.096 1.00 0.00 H new ATOM 1066 N VAL A 71 -1.618 7.662 -3.022 1.00 0.00 N ATOM 1067 CA VAL A 71 -1.949 6.891 -1.828 1.00 0.00 C ATOM 1068 C VAL A 71 -2.022 7.784 -0.590 1.00 0.00 C ATOM 1069 O VAL A 71 -1.531 8.913 -0.598 1.00 0.00 O ATOM 1070 CB VAL A 71 -0.922 5.768 -1.579 1.00 0.00 C ATOM 1071 CG1 VAL A 71 -1.202 4.583 -2.489 1.00 0.00 C ATOM 1072 CG2 VAL A 71 0.497 6.280 -1.779 1.00 0.00 C ATOM 0 H VAL A 71 -0.704 7.447 -3.421 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.928 6.446 -2.006 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.017 5.437 -0.545 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.469 3.799 -2.301 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.203 4.199 -2.289 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.136 4.900 -3.530 1.00 0.00 H new ATOM 0 HG21 VAL A 71 1.205 5.471 -1.598 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.613 6.642 -2.801 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.691 7.095 -1.082 1.00 0.00 H new ATOM 1082 N PRO A 72 -2.643 7.286 0.495 1.00 0.00 N ATOM 1083 CA PRO A 72 -2.789 8.038 1.750 1.00 0.00 C ATOM 1084 C PRO A 72 -1.528 8.008 2.610 1.00 0.00 C ATOM 1085 O PRO A 72 -1.525 8.501 3.738 1.00 0.00 O ATOM 1086 CB PRO A 72 -3.912 7.283 2.454 1.00 0.00 C ATOM 1087 CG PRO A 72 -3.717 5.872 2.023 1.00 0.00 C ATOM 1088 CD PRO A 72 -3.264 5.946 0.589 1.00 0.00 C ATOM 0 HA PRO A 72 -2.984 9.096 1.573 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.844 7.383 3.537 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -4.892 7.659 2.160 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -2.974 5.372 2.644 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.642 5.303 2.113 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -2.552 5.156 0.351 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.100 5.841 -0.103 1.00 0.00 H new ATOM 1096 N LEU A 73 -0.466 7.411 2.082 1.00 0.00 N ATOM 1097 CA LEU A 73 0.790 7.298 2.813 1.00 0.00 C ATOM 1098 C LEU A 73 1.798 8.344 2.347 1.00 0.00 C ATOM 1099 O LEU A 73 1.708 8.853 1.230 1.00 0.00 O ATOM 1100 CB LEU A 73 1.358 5.889 2.639 1.00 0.00 C ATOM 1101 CG LEU A 73 0.302 4.799 2.424 1.00 0.00 C ATOM 1102 CD1 LEU A 73 0.946 3.499 1.980 1.00 0.00 C ATOM 1103 CD2 LEU A 73 -0.513 4.591 3.692 1.00 0.00 C ATOM 0 H LEU A 73 -0.450 6.998 1.150 1.00 0.00 H new ATOM 0 HA LEU A 73 0.594 7.480 3.870 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.040 5.889 1.789 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.947 5.637 3.521 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.370 5.128 1.632 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.175 2.742 1.834 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.479 3.659 1.043 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.647 3.161 2.743 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.258 3.814 3.522 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.148 4.288 4.504 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.014 5.522 3.959 1.00 0.00 H new ATOM 1115 N GLN A 74 2.752 8.669 3.217 1.00 0.00 N ATOM 1116 CA GLN A 74 3.771 9.664 2.899 1.00 0.00 C ATOM 1117 C GLN A 74 5.149 9.220 3.379 1.00 0.00 C ATOM 1118 O GLN A 74 5.305 8.140 3.949 1.00 0.00 O ATOM 1119 CB GLN A 74 3.410 11.009 3.532 1.00 0.00 C ATOM 1120 CG GLN A 74 2.038 11.523 3.130 1.00 0.00 C ATOM 1121 CD GLN A 74 2.018 12.096 1.726 1.00 0.00 C ATOM 1122 OE1 GLN A 74 3.021 12.623 1.245 1.00 0.00 O ATOM 1123 NE2 GLN A 74 0.872 11.998 1.063 1.00 0.00 N ATOM 0 H GLN A 74 2.840 8.258 4.146 1.00 0.00 H new ATOM 0 HA GLN A 74 3.806 9.771 1.815 1.00 0.00 H new ATOM 0 HB2 GLN A 74 3.449 10.912 4.617 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.162 11.747 3.251 1.00 0.00 H new ATOM 0 HG2 GLN A 74 1.316 10.710 3.197 1.00 0.00 H new ATOM 0 HG3 GLN A 74 1.720 12.290 3.836 1.00 0.00 H new ATOM 0 HE21 GLN A 74 0.066 11.553 1.501 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.798 12.368 0.115 1.00 0.00 H new ATOM 1132 N HIS A 75 6.147 10.065 3.138 1.00 0.00 N ATOM 1133 CA HIS A 75 7.520 9.773 3.537 1.00 0.00 C ATOM 1134 C HIS A 75 7.621 9.542 5.041 1.00 0.00 C ATOM 1135 O HIS A 75 7.509 10.479 5.831 1.00 0.00 O ATOM 1136 CB HIS A 75 8.445 10.918 3.123 1.00 0.00 C ATOM 1137 CG HIS A 75 9.886 10.521 3.028 1.00 0.00 C ATOM 1138 ND1 HIS A 75 10.442 9.511 3.785 1.00 0.00 N ATOM 1139 CD2 HIS A 75 10.889 11.005 2.257 1.00 0.00 C ATOM 1140 CE1 HIS A 75 11.723 9.392 3.485 1.00 0.00 C ATOM 1141 NE2 HIS A 75 12.019 10.287 2.560 1.00 0.00 N ATOM 0 H HIS A 75 6.029 10.962 2.666 1.00 0.00 H new ATOM 0 HA HIS A 75 7.829 8.859 3.030 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.119 11.306 2.158 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.348 11.731 3.843 1.00 0.00 H new ATOM 0 HD2 HIS A 75 10.814 11.807 1.537 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.411 8.683 3.922 1.00 0.00 H new ATOM 0 HE2 HIS A 75 12.938 10.423 2.139 1.00 0.00 H new ATOM 1150 N GLY A 76 7.839 8.291 5.428 1.00 0.00 N ATOM 1151 CA GLY A 76 7.960 7.961 6.835 1.00 0.00 C ATOM 1152 C GLY A 76 6.750 7.224 7.377 1.00 0.00 C ATOM 1153 O GLY A 76 6.655 6.984 8.582 1.00 0.00 O ATOM 0 H GLY A 76 7.934 7.499 4.792 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.849 7.348 6.984 1.00 0.00 H new ATOM 0 HA3 GLY A 76 8.106 8.878 7.406 1.00 0.00 H new ATOM 1157 N ASP A 77 5.823 6.861 6.496 1.00 0.00 N ATOM 1158 CA ASP A 77 4.622 6.148 6.912 1.00 0.00 C ATOM 1159 C ASP A 77 4.872 4.645 6.960 1.00 0.00 C ATOM 1160 O ASP A 77 5.964 4.175 6.641 1.00 0.00 O ATOM 1161 CB ASP A 77 3.465 6.456 5.959 1.00 0.00 C ATOM 1162 CG ASP A 77 2.500 7.476 6.532 1.00 0.00 C ATOM 1163 OD1 ASP A 77 2.947 8.592 6.871 1.00 0.00 O ATOM 1164 OD2 ASP A 77 1.297 7.159 6.642 1.00 0.00 O ATOM 0 H ASP A 77 5.880 7.048 5.495 1.00 0.00 H new ATOM 0 HA ASP A 77 4.357 6.486 7.914 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.864 6.828 5.015 1.00 0.00 H new ATOM 0 HB3 ASP A 77 2.926 5.535 5.736 1.00 0.00 H new ATOM 1169 N ARG A 78 3.850 3.897 7.360 1.00 0.00 N ATOM 1170 CA ARG A 78 3.949 2.446 7.448 1.00 0.00 C ATOM 1171 C ARG A 78 2.646 1.801 7.005 1.00 0.00 C ATOM 1172 O ARG A 78 1.567 2.363 7.195 1.00 0.00 O ATOM 1173 CB ARG A 78 4.289 2.017 8.876 1.00 0.00 C ATOM 1174 CG ARG A 78 3.487 2.750 9.940 1.00 0.00 C ATOM 1175 CD ARG A 78 4.217 3.988 10.438 1.00 0.00 C ATOM 1176 NE ARG A 78 4.629 3.855 11.833 1.00 0.00 N ATOM 1177 CZ ARG A 78 5.515 4.655 12.423 1.00 0.00 C ATOM 1178 NH1 ARG A 78 6.083 5.644 11.743 1.00 0.00 N ATOM 1179 NH2 ARG A 78 5.833 4.465 13.696 1.00 0.00 N ATOM 0 H ARG A 78 2.941 4.273 7.629 1.00 0.00 H new ATOM 0 HA ARG A 78 4.749 2.115 6.786 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.115 0.946 8.976 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.351 2.185 9.054 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.518 3.038 9.532 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.294 2.079 10.777 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.094 4.167 9.816 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.569 4.858 10.333 1.00 0.00 H new ATOM 0 HE ARG A 78 4.214 3.106 12.387 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.841 5.794 10.763 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.761 6.254 12.200 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.399 3.707 14.222 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.512 5.077 14.149 1.00 0.00 H new ATOM 1193 N ILE A 79 2.749 0.625 6.402 1.00 0.00 N ATOM 1194 CA ILE A 79 1.572 -0.079 5.923 1.00 0.00 C ATOM 1195 C ILE A 79 1.700 -1.583 6.109 1.00 0.00 C ATOM 1196 O ILE A 79 2.791 -2.105 6.334 1.00 0.00 O ATOM 1197 CB ILE A 79 1.309 0.218 4.435 1.00 0.00 C ATOM 1198 CG1 ILE A 79 2.628 0.377 3.671 1.00 0.00 C ATOM 1199 CG2 ILE A 79 0.453 1.463 4.290 1.00 0.00 C ATOM 1200 CD1 ILE A 79 2.445 0.550 2.179 1.00 0.00 C ATOM 0 H ILE A 79 3.631 0.142 6.234 1.00 0.00 H new ATOM 0 HA ILE A 79 0.734 0.282 6.519 1.00 0.00 H new ATOM 0 HB ILE A 79 0.769 -0.626 4.005 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.165 1.239 4.065 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.252 -0.498 3.853 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.275 1.661 3.233 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.500 1.310 4.796 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.969 2.313 4.737 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.420 0.657 1.703 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.936 -0.323 1.771 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.848 1.441 1.987 1.00 0.00 H new ATOM 1212 N THR A 80 0.570 -2.272 6.005 1.00 0.00 N ATOM 1213 CA THR A 80 0.539 -3.719 6.152 1.00 0.00 C ATOM 1214 C THR A 80 -0.225 -4.353 4.997 1.00 0.00 C ATOM 1215 O THR A 80 -1.349 -3.955 4.688 1.00 0.00 O ATOM 1216 CB THR A 80 -0.108 -4.108 7.478 1.00 0.00 C ATOM 1217 OG1 THR A 80 0.575 -3.509 8.565 1.00 0.00 O ATOM 1218 CG2 THR A 80 -0.132 -5.603 7.715 1.00 0.00 C ATOM 0 H THR A 80 -0.339 -1.849 5.819 1.00 0.00 H new ATOM 0 HA THR A 80 1.565 -4.086 6.141 1.00 0.00 H new ATOM 0 HB THR A 80 -1.136 -3.750 7.415 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.144 -3.769 9.406 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.605 -5.812 8.675 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.697 -6.089 6.919 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.888 -5.987 7.722 1.00 0.00 H new ATOM 1226 N ILE A 81 0.393 -5.337 4.361 1.00 0.00 N ATOM 1227 CA ILE A 81 -0.222 -6.024 3.238 1.00 0.00 C ATOM 1228 C ILE A 81 -0.793 -7.372 3.661 1.00 0.00 C ATOM 1229 O ILE A 81 -0.324 -7.985 4.619 1.00 0.00 O ATOM 1230 CB ILE A 81 0.788 -6.243 2.097 1.00 0.00 C ATOM 1231 CG1 ILE A 81 1.511 -4.935 1.774 1.00 0.00 C ATOM 1232 CG2 ILE A 81 0.086 -6.790 0.864 1.00 0.00 C ATOM 1233 CD1 ILE A 81 0.577 -3.795 1.430 1.00 0.00 C ATOM 0 H ILE A 81 1.323 -5.678 4.605 1.00 0.00 H new ATOM 0 HA ILE A 81 -1.032 -5.387 2.882 1.00 0.00 H new ATOM 0 HB ILE A 81 1.528 -6.975 2.419 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.123 -4.647 2.629 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.190 -5.102 0.938 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.814 -6.939 0.067 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.386 -7.742 1.107 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.674 -6.082 0.534 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.160 -2.900 1.213 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.017 -4.062 0.556 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.086 -3.600 2.273 1.00 0.00 H new ATOM 1245 N GLU A 82 -1.805 -7.832 2.936 1.00 0.00 N ATOM 1246 CA GLU A 82 -2.431 -9.113 3.235 1.00 0.00 C ATOM 1247 C GLU A 82 -2.620 -9.926 1.958 1.00 0.00 C ATOM 1248 O GLU A 82 -3.357 -9.525 1.058 1.00 0.00 O ATOM 1249 CB GLU A 82 -3.775 -8.898 3.942 1.00 0.00 C ATOM 1250 CG GLU A 82 -4.733 -10.076 3.827 1.00 0.00 C ATOM 1251 CD GLU A 82 -5.970 -9.909 4.687 1.00 0.00 C ATOM 1252 OE1 GLU A 82 -5.863 -9.297 5.770 1.00 0.00 O ATOM 1253 OE2 GLU A 82 -7.048 -10.389 4.276 1.00 0.00 O ATOM 0 H GLU A 82 -2.208 -7.339 2.139 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.776 -9.672 3.903 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.590 -8.695 4.997 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.254 -8.012 3.526 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.033 -10.195 2.786 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.215 -10.990 4.116 1.00 0.00 H new ATOM 1260 N ILE A 83 -1.952 -11.074 1.890 1.00 0.00 N ATOM 1261 CA ILE A 83 -2.052 -11.942 0.726 1.00 0.00 C ATOM 1262 C ILE A 83 -3.477 -12.460 0.562 1.00 0.00 C ATOM 1263 O ILE A 83 -3.938 -13.299 1.335 1.00 0.00 O ATOM 1264 CB ILE A 83 -1.081 -13.138 0.821 1.00 0.00 C ATOM 1265 CG1 ILE A 83 0.369 -12.641 0.882 1.00 0.00 C ATOM 1266 CG2 ILE A 83 -1.275 -14.075 -0.364 1.00 0.00 C ATOM 1267 CD1 ILE A 83 0.986 -12.731 2.261 1.00 0.00 C ATOM 0 H ILE A 83 -1.338 -11.422 2.626 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.779 -11.344 -0.144 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.297 -13.691 1.735 1.00 0.00 H new ATOM 0 HG12 ILE A 83 0.973 -13.222 0.185 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.403 -11.605 0.545 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.583 -14.913 -0.282 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.299 -14.449 -0.368 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.082 -13.534 -1.291 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.011 -12.362 2.226 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.407 -12.127 2.959 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.985 -13.769 2.593 1.00 0.00 H new ATOM 1279 N LEU A 84 -4.167 -11.953 -0.452 1.00 0.00 N ATOM 1280 CA LEU A 84 -5.539 -12.359 -0.721 1.00 0.00 C ATOM 1281 C LEU A 84 -5.583 -13.742 -1.360 1.00 0.00 C ATOM 1282 O LEU A 84 -4.548 -14.310 -1.708 1.00 0.00 O ATOM 1283 CB LEU A 84 -6.226 -11.339 -1.631 1.00 0.00 C ATOM 1284 CG LEU A 84 -6.102 -9.882 -1.178 1.00 0.00 C ATOM 1285 CD1 LEU A 84 -6.919 -8.972 -2.083 1.00 0.00 C ATOM 1286 CD2 LEU A 84 -6.545 -9.734 0.271 1.00 0.00 C ATOM 0 H LEU A 84 -3.798 -11.259 -1.102 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.071 -12.403 0.229 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.808 -11.429 -2.634 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.284 -11.593 -1.703 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.055 -9.587 -1.248 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.820 -7.940 -1.747 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.556 -9.056 -3.107 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.968 -9.267 -2.044 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.450 -8.692 0.576 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.585 -10.047 0.367 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.918 -10.357 0.909 1.00 0.00 H new ATOM 1298 N LYS A 85 -6.788 -14.280 -1.513 1.00 0.00 N ATOM 1299 CA LYS A 85 -6.969 -15.596 -2.109 1.00 0.00 C ATOM 1300 C LYS A 85 -7.281 -15.477 -3.595 1.00 0.00 C ATOM 1301 O LYS A 85 -8.426 -15.247 -3.986 1.00 0.00 O ATOM 1302 CB LYS A 85 -8.090 -16.355 -1.393 1.00 0.00 C ATOM 1303 CG LYS A 85 -7.642 -17.676 -0.791 1.00 0.00 C ATOM 1304 CD LYS A 85 -6.973 -17.474 0.559 1.00 0.00 C ATOM 1305 CE LYS A 85 -5.458 -17.522 0.444 1.00 0.00 C ATOM 1306 NZ LYS A 85 -4.925 -18.888 0.701 1.00 0.00 N ATOM 0 H LYS A 85 -7.655 -13.823 -1.231 1.00 0.00 H new ATOM 0 HA LYS A 85 -6.039 -16.153 -1.996 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.497 -15.724 -0.602 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -8.899 -16.543 -2.099 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -8.502 -18.336 -0.677 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.949 -18.171 -1.471 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.277 -16.514 0.977 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.311 -18.244 1.252 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -5.159 -17.197 -0.553 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -5.018 -16.821 1.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -3.889 -18.879 0.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.188 -19.188 1.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.325 -19.553 0.008 1.00 0.00 H new ATOM 1320 N GLY A 86 -6.253 -15.636 -4.417 1.00 0.00 N ATOM 1321 CA GLY A 86 -6.429 -15.544 -5.855 1.00 0.00 C ATOM 1322 C GLY A 86 -7.411 -16.569 -6.386 1.00 0.00 C ATOM 1323 O GLY A 86 -7.750 -17.511 -5.639 1.00 0.00 O ATOM 1324 OXT GLY A 86 -7.844 -16.430 -7.550 1.00 0.00 O ATOM 0 H GLY A 86 -5.298 -15.827 -4.114 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.778 -14.544 -6.112 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.465 -15.681 -6.345 1.00 0.00 H new TER 1328 GLY A 86