USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 725 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 THR OG1 : rot -96:sc= 0.867 USER MOD Set 1.2: A 52 HIS : no HD1:sc= 0.864 K(o=1.7,f=-2.3!) USER MOD Set 2.1: A 7 SER OG : rot 151:sc= -0.426 USER MOD Set 2.2: A 74 GLN : amide:sc= 0.548 K(o=0.12,f=-0.52) USER MOD Set 3.1: A 3 HIS : no HD1:sc= -0.0449 X(o=-1.8,f=-1.9) USER MOD Set 3.2: A 78 ASN : amide:sc= -1.77! X(o=-1.8!,f=-1.8) USER MOD Single : A 1 HIS : no HD1:sc= -0.0368 X(o=-0.037,f=-0.52) USER MOD Single : A 1 HIS N :NH3+ -164:sc= -0.0411 (180deg=-0.397) USER MOD Single : A 2 HIS : no HD1:sc= -0.0398 X(o=-0.04,f=-0.035) USER MOD Single : A 4 HIS : no HD1:sc=-0.00114 X(o=-0.0011,f=-0.046) USER MOD Single : A 5 HIS : no HD1:sc= -0.0391 X(o=-0.039,f=-0.045) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HE2:sc= -0.155 K(o=-0.15,f=-1.2) USER MOD Single : A 9 MET CE :methyl 164:sc= -0.0523 (180deg=-0.369) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.389 K(o=-0.39,f=-1.6) USER MOD Single : A 20 GLN : amide:sc= -0.0454 X(o=-0.045,f=-0.049) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0118 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ -170:sc=-0.00701 (180deg=-0.124) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.247 USER MOD Single : A 37 THR OG1 : rot 24:sc= 0.0642 USER MOD Single : A 38 THR OG1 : rot -153:sc= 1.29 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HE2:sc= -0.0751 X(o=-0.075,f=-0.049) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 LYS NZ :NH3+ -177:sc= 0.967 (180deg=0.958) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 5.328 -22.563 -5.944 1.00 75.00 N ATOM 2 CA HIS A 1 4.688 -23.887 -6.165 1.00 75.00 C ATOM 3 C HIS A 1 4.867 -24.770 -4.917 1.00 75.00 C ATOM 4 O HIS A 1 3.993 -25.581 -4.582 1.00 75.00 O ATOM 5 CB HIS A 1 5.292 -24.590 -7.412 1.00 75.00 C ATOM 6 CG HIS A 1 5.244 -23.761 -8.671 1.00 75.00 C ATOM 7 ND1 HIS A 1 4.126 -23.666 -9.466 1.00 75.00 N ATOM 8 CD2 HIS A 1 6.180 -22.971 -9.257 1.00 75.00 C ATOM 9 CE1 HIS A 1 4.376 -22.859 -10.477 1.00 75.00 C ATOM 10 NE2 HIS A 1 5.612 -22.426 -10.369 1.00 75.00 N ATOM 0 H1 HIS A 1 4.982 -21.887 -6.655 1.00 75.00 H new ATOM 0 H2 HIS A 1 5.090 -22.217 -4.993 1.00 75.00 H new ATOM 0 H3 HIS A 1 6.360 -22.658 -6.030 1.00 75.00 H new ATOM 0 HA HIS A 1 3.624 -23.733 -6.343 1.00 75.00 H new ATOM 0 HB2 HIS A 1 6.329 -24.851 -7.201 1.00 75.00 H new ATOM 0 HB3 HIS A 1 4.757 -25.524 -7.584 1.00 75.00 H new ATOM 0 HD2 HIS A 1 7.188 -22.805 -8.907 1.00 75.00 H new ATOM 0 HE1 HIS A 1 3.682 -22.597 -11.262 1.00 75.00 H new ATOM 0 HE2 HIS A 1 6.073 -21.784 -11.015 1.00 75.00 H new ATOM 21 N HIS A 2 6.022 -24.593 -4.246 1.00 75.00 N ATOM 22 CA HIS A 2 6.371 -25.287 -2.996 1.00 75.00 C ATOM 23 C HIS A 2 5.577 -24.685 -1.811 1.00 75.00 C ATOM 24 O HIS A 2 5.210 -23.500 -1.839 1.00 75.00 O ATOM 25 CB HIS A 2 7.912 -25.178 -2.762 1.00 75.00 C ATOM 26 CG HIS A 2 8.399 -25.744 -1.450 1.00 75.00 C ATOM 27 ND1 HIS A 2 8.429 -27.093 -1.180 1.00 75.00 N ATOM 28 CD2 HIS A 2 8.848 -25.136 -0.327 1.00 75.00 C ATOM 29 CE1 HIS A 2 8.857 -27.285 0.045 1.00 75.00 C ATOM 30 NE2 HIS A 2 9.121 -26.113 0.578 1.00 75.00 N ATOM 0 H HIS A 2 6.749 -23.953 -4.565 1.00 75.00 H new ATOM 0 HA HIS A 2 6.103 -26.341 -3.071 1.00 75.00 H new ATOM 0 HB2 HIS A 2 8.425 -25.692 -3.575 1.00 75.00 H new ATOM 0 HB3 HIS A 2 8.199 -24.128 -2.817 1.00 75.00 H new ATOM 0 HD2 HIS A 2 8.967 -24.073 -0.178 1.00 75.00 H new ATOM 0 HE1 HIS A 2 8.973 -28.242 0.532 1.00 75.00 H new ATOM 0 HE2 HIS A 2 9.475 -25.960 1.522 1.00 75.00 H new ATOM 39 N HIS A 3 5.306 -25.535 -0.800 1.00 75.00 N ATOM 40 CA HIS A 3 4.677 -25.144 0.479 1.00 75.00 C ATOM 41 C HIS A 3 5.495 -24.038 1.184 1.00 75.00 C ATOM 42 O HIS A 3 6.616 -24.285 1.623 1.00 75.00 O ATOM 43 CB HIS A 3 4.563 -26.403 1.383 1.00 75.00 C ATOM 44 CG HIS A 3 4.140 -26.149 2.819 1.00 75.00 C ATOM 45 ND1 HIS A 3 5.045 -25.967 3.847 1.00 75.00 N ATOM 46 CD2 HIS A 3 2.917 -26.075 3.390 1.00 75.00 C ATOM 47 CE1 HIS A 3 4.396 -25.797 4.978 1.00 75.00 C ATOM 48 NE2 HIS A 3 3.103 -25.856 4.728 1.00 75.00 N ATOM 0 H HIS A 3 5.522 -26.531 -0.850 1.00 75.00 H new ATOM 0 HA HIS A 3 3.684 -24.739 0.285 1.00 75.00 H new ATOM 0 HB2 HIS A 3 3.848 -27.089 0.929 1.00 75.00 H new ATOM 0 HB3 HIS A 3 5.528 -26.909 1.393 1.00 75.00 H new ATOM 0 HD2 HIS A 3 1.968 -26.171 2.884 1.00 75.00 H new ATOM 0 HE1 HIS A 3 4.846 -25.636 5.947 1.00 75.00 H new ATOM 0 HE2 HIS A 3 2.361 -25.755 5.420 1.00 75.00 H new ATOM 57 N HIS A 4 4.918 -22.829 1.271 1.00 75.00 N ATOM 58 CA HIS A 4 5.549 -21.677 1.942 1.00 75.00 C ATOM 59 C HIS A 4 5.393 -21.800 3.464 1.00 75.00 C ATOM 60 O HIS A 4 4.574 -22.574 3.961 1.00 75.00 O ATOM 61 CB HIS A 4 4.941 -20.325 1.447 1.00 75.00 C ATOM 62 CG HIS A 4 5.273 -19.978 0.022 1.00 75.00 C ATOM 63 ND1 HIS A 4 6.251 -19.067 -0.325 1.00 75.00 N ATOM 64 CD2 HIS A 4 4.745 -20.413 -1.145 1.00 75.00 C ATOM 65 CE1 HIS A 4 6.302 -18.963 -1.635 1.00 75.00 C ATOM 66 NE2 HIS A 4 5.403 -19.771 -2.158 1.00 75.00 N ATOM 0 H HIS A 4 4.000 -22.621 0.878 1.00 75.00 H new ATOM 0 HA HIS A 4 6.609 -21.681 1.688 1.00 75.00 H new ATOM 0 HB2 HIS A 4 3.857 -20.367 1.555 1.00 75.00 H new ATOM 0 HB3 HIS A 4 5.295 -19.523 2.095 1.00 75.00 H new ATOM 0 HD2 HIS A 4 3.950 -21.135 -1.257 1.00 75.00 H new ATOM 0 HE1 HIS A 4 6.970 -18.321 -2.190 1.00 75.00 H new ATOM 0 HE2 HIS A 4 5.226 -19.897 -3.155 1.00 75.00 H new ATOM 75 N HIS A 5 6.221 -21.052 4.187 1.00 75.00 N ATOM 76 CA HIS A 5 6.089 -20.859 5.641 1.00 75.00 C ATOM 77 C HIS A 5 6.446 -19.393 5.995 1.00 75.00 C ATOM 78 O HIS A 5 6.476 -19.008 7.172 1.00 75.00 O ATOM 79 CB HIS A 5 6.980 -21.890 6.403 1.00 75.00 C ATOM 80 CG HIS A 5 6.733 -21.930 7.889 1.00 75.00 C ATOM 81 ND1 HIS A 5 7.687 -21.616 8.831 1.00 75.00 N ATOM 82 CD2 HIS A 5 5.611 -22.233 8.588 1.00 75.00 C ATOM 83 CE1 HIS A 5 7.163 -21.720 10.033 1.00 75.00 C ATOM 84 NE2 HIS A 5 5.905 -22.084 9.911 1.00 75.00 N ATOM 0 H HIS A 5 7.014 -20.554 3.782 1.00 75.00 H new ATOM 0 HA HIS A 5 5.060 -21.037 5.954 1.00 75.00 H new ATOM 0 HB2 HIS A 5 6.805 -22.883 5.989 1.00 75.00 H new ATOM 0 HB3 HIS A 5 8.028 -21.651 6.225 1.00 75.00 H new ATOM 0 HD2 HIS A 5 4.661 -22.536 8.174 1.00 75.00 H new ATOM 0 HE1 HIS A 5 7.679 -21.537 10.964 1.00 75.00 H new ATOM 0 HE2 HIS A 5 5.254 -22.231 10.682 1.00 75.00 H new ATOM 93 N HIS A 6 6.681 -18.571 4.943 1.00 75.00 N ATOM 94 CA HIS A 6 7.063 -17.165 5.080 1.00 75.00 C ATOM 95 C HIS A 6 6.690 -16.399 3.793 1.00 75.00 C ATOM 96 O HIS A 6 7.302 -16.603 2.737 1.00 75.00 O ATOM 97 CB HIS A 6 8.585 -17.050 5.378 1.00 75.00 C ATOM 98 CG HIS A 6 9.097 -15.639 5.485 1.00 75.00 C ATOM 99 ND1 HIS A 6 9.029 -14.900 6.645 1.00 75.00 N ATOM 100 CD2 HIS A 6 9.672 -14.831 4.565 1.00 75.00 C ATOM 101 CE1 HIS A 6 9.540 -13.708 6.432 1.00 75.00 C ATOM 102 NE2 HIS A 6 9.937 -13.646 5.181 1.00 75.00 N ATOM 0 H HIS A 6 6.607 -18.878 3.973 1.00 75.00 H new ATOM 0 HA HIS A 6 6.522 -16.721 5.916 1.00 75.00 H new ATOM 0 HB2 HIS A 6 8.800 -17.572 6.310 1.00 75.00 H new ATOM 0 HB3 HIS A 6 9.136 -17.564 4.590 1.00 75.00 H new ATOM 0 HD2 HIS A 6 9.882 -15.079 3.535 1.00 75.00 H new ATOM 0 HE1 HIS A 6 9.620 -12.915 7.161 1.00 75.00 H new ATOM 0 HE2 HIS A 6 10.375 -12.837 4.740 1.00 75.00 H new ATOM 111 N SER A 7 5.661 -15.559 3.893 1.00 75.00 N ATOM 112 CA SER A 7 5.316 -14.550 2.875 1.00 75.00 C ATOM 113 C SER A 7 6.011 -13.217 3.243 1.00 75.00 C ATOM 114 O SER A 7 6.920 -13.198 4.095 1.00 75.00 O ATOM 115 CB SER A 7 3.771 -14.388 2.822 1.00 75.00 C ATOM 116 OG SER A 7 3.126 -15.614 2.535 1.00 75.00 O ATOM 0 H SER A 7 5.029 -15.555 4.694 1.00 75.00 H new ATOM 0 HA SER A 7 5.659 -14.860 1.888 1.00 75.00 H new ATOM 0 HB2 SER A 7 3.412 -14.003 3.777 1.00 75.00 H new ATOM 0 HB3 SER A 7 3.508 -13.652 2.062 1.00 75.00 H new ATOM 0 HG SER A 7 2.236 -15.620 2.946 1.00 75.00 H new ATOM 122 N HIS A 8 5.635 -12.109 2.559 1.00 50.00 N ATOM 123 CA HIS A 8 5.956 -10.747 3.033 1.00 50.00 C ATOM 124 C HIS A 8 5.424 -10.589 4.474 1.00 50.00 C ATOM 125 O HIS A 8 4.248 -10.896 4.721 1.00 50.00 O ATOM 126 CB HIS A 8 5.325 -9.658 2.121 1.00 50.00 C ATOM 127 CG HIS A 8 6.088 -9.351 0.857 1.00 50.00 C ATOM 128 ND1 HIS A 8 6.536 -8.082 0.552 1.00 75.00 N ATOM 129 CD2 HIS A 8 6.449 -10.135 -0.190 1.00 75.00 C ATOM 130 CE1 HIS A 8 7.135 -8.100 -0.617 1.00 75.00 C ATOM 131 NE2 HIS A 8 7.098 -9.331 -1.089 1.00 75.00 N ATOM 0 H HIS A 8 5.113 -12.134 1.683 1.00 50.00 H new ATOM 0 HA HIS A 8 7.037 -10.614 3.004 1.00 50.00 H new ATOM 0 HB2 HIS A 8 4.318 -9.975 1.849 1.00 50.00 H new ATOM 0 HB3 HIS A 8 5.226 -8.738 2.698 1.00 50.00 H new ATOM 0 HD1 HIS A 8 6.420 -7.258 1.142 1.00 75.00 H new ATOM 0 HD2 HIS A 8 6.260 -11.193 -0.295 1.00 75.00 H new ATOM 0 HE1 HIS A 8 7.583 -7.249 -1.109 1.00 75.00 H new ATOM 140 N MET A 9 6.308 -10.154 5.400 1.00 10.00 N ATOM 141 CA MET A 9 5.980 -10.012 6.829 1.00 10.00 C ATOM 142 C MET A 9 4.803 -9.031 7.019 1.00 10.00 C ATOM 143 O MET A 9 4.767 -7.957 6.400 1.00 50.00 O ATOM 144 CB MET A 9 7.230 -9.575 7.662 1.00 50.00 C ATOM 145 CG MET A 9 7.823 -8.196 7.315 1.00 50.00 C ATOM 146 SD MET A 9 9.283 -7.780 8.300 1.00 50.00 S ATOM 147 CE MET A 9 10.459 -9.037 7.784 1.00 75.00 C ATOM 0 H MET A 9 7.268 -9.893 5.174 1.00 10.00 H new ATOM 0 HA MET A 9 5.671 -10.988 7.204 1.00 10.00 H new ATOM 0 HB2 MET A 9 6.957 -9.576 8.717 1.00 50.00 H new ATOM 0 HB3 MET A 9 8.009 -10.327 7.533 1.00 50.00 H new ATOM 0 HG2 MET A 9 8.088 -8.177 6.258 1.00 50.00 H new ATOM 0 HG3 MET A 9 7.061 -7.431 7.466 1.00 50.00 H new ATOM 0 HE1 MET A 9 11.464 -8.740 8.084 1.00 75.00 H new ATOM 0 HE2 MET A 9 10.206 -9.987 8.255 1.00 75.00 H new ATOM 0 HE3 MET A 9 10.421 -9.148 6.700 1.00 75.00 H new ATOM 157 N VAL A 10 3.835 -9.458 7.841 1.00 10.00 N ATOM 158 CA VAL A 10 2.593 -8.723 8.127 1.00 10.00 C ATOM 159 C VAL A 10 2.911 -7.390 8.820 1.00 10.00 C ATOM 160 O VAL A 10 3.739 -7.351 9.721 1.00 50.00 O ATOM 161 CB VAL A 10 1.637 -9.609 9.016 1.00 50.00 C ATOM 162 CG1 VAL A 10 1.229 -10.896 8.258 1.00 50.00 C ATOM 163 CG2 VAL A 10 2.294 -9.971 10.375 1.00 50.00 C ATOM 0 H VAL A 10 3.894 -10.346 8.339 1.00 10.00 H new ATOM 0 HA VAL A 10 2.084 -8.502 7.189 1.00 10.00 H new ATOM 0 HB VAL A 10 0.743 -9.022 9.223 1.00 50.00 H new ATOM 0 HG11 VAL A 10 0.570 -11.495 8.886 1.00 50.00 H new ATOM 0 HG12 VAL A 10 0.709 -10.627 7.339 1.00 50.00 H new ATOM 0 HG13 VAL A 10 2.121 -11.473 8.015 1.00 50.00 H new ATOM 0 HG21 VAL A 10 1.606 -10.582 10.960 1.00 50.00 H new ATOM 0 HG22 VAL A 10 3.213 -10.529 10.197 1.00 50.00 H new ATOM 0 HG23 VAL A 10 2.524 -9.057 10.923 1.00 50.00 H new ATOM 173 N GLY A 11 2.258 -6.300 8.389 1.00 10.00 N ATOM 174 CA GLY A 11 2.626 -4.968 8.850 1.00 10.00 C ATOM 175 C GLY A 11 3.602 -4.251 7.922 1.00 10.00 C ATOM 176 O GLY A 11 4.165 -3.222 8.316 1.00 50.00 O ATOM 0 H GLY A 11 1.481 -6.321 7.728 1.00 10.00 H new ATOM 0 HA2 GLY A 11 1.724 -4.365 8.951 1.00 10.00 H new ATOM 0 HA3 GLY A 11 3.071 -5.045 9.842 1.00 10.00 H new ATOM 180 N ASP A 12 3.815 -4.821 6.702 1.00 10.00 N ATOM 181 CA ASP A 12 4.780 -4.304 5.695 1.00 10.00 C ATOM 182 C ASP A 12 4.557 -2.786 5.423 1.00 10.00 C ATOM 183 O ASP A 12 3.535 -2.391 4.855 1.00 50.00 O ATOM 184 CB ASP A 12 4.639 -5.142 4.389 1.00 50.00 C ATOM 185 CG ASP A 12 5.681 -4.885 3.278 1.00 50.00 C ATOM 186 OD1 ASP A 12 6.577 -4.031 3.433 1.00 50.00 O ATOM 187 OD2 ASP A 12 5.631 -5.599 2.240 1.00 50.00 O ATOM 0 H ASP A 12 3.318 -5.656 6.391 1.00 10.00 H new ATOM 0 HA ASP A 12 5.794 -4.406 6.081 1.00 10.00 H new ATOM 0 HB2 ASP A 12 4.682 -6.198 4.657 1.00 50.00 H new ATOM 0 HB3 ASP A 12 3.648 -4.959 3.974 1.00 50.00 H new ATOM 192 N THR A 13 5.543 -1.963 5.818 1.00 10.00 N ATOM 193 CA THR A 13 5.410 -0.502 5.838 1.00 10.00 C ATOM 194 C THR A 13 5.432 0.057 4.400 1.00 10.00 C ATOM 195 O THR A 13 6.461 0.028 3.729 1.00 50.00 O ATOM 196 CB THR A 13 6.550 0.137 6.694 1.00 50.00 C ATOM 197 OG1 THR A 13 6.620 -0.517 7.979 1.00 50.00 O ATOM 198 CG2 THR A 13 6.337 1.655 6.905 1.00 50.00 C ATOM 0 H THR A 13 6.455 -2.296 6.132 1.00 10.00 H new ATOM 0 HA THR A 13 4.454 -0.245 6.294 1.00 10.00 H new ATOM 0 HB THR A 13 7.484 0.001 6.148 1.00 50.00 H new ATOM 0 HG1 THR A 13 7.337 -0.115 8.512 1.00 50.00 H new ATOM 0 HG21 THR A 13 7.153 2.057 7.505 1.00 50.00 H new ATOM 0 HG22 THR A 13 6.316 2.157 5.938 1.00 50.00 H new ATOM 0 HG23 THR A 13 5.391 1.821 7.421 1.00 50.00 H new ATOM 206 N VAL A 14 4.256 0.520 3.925 1.00 10.00 N ATOM 207 CA VAL A 14 4.066 1.064 2.562 1.00 10.00 C ATOM 208 C VAL A 14 3.299 2.397 2.608 1.00 10.00 C ATOM 209 O VAL A 14 2.935 2.876 3.683 1.00 50.00 O ATOM 210 CB VAL A 14 3.306 0.053 1.621 1.00 50.00 C ATOM 211 CG1 VAL A 14 4.093 -1.270 1.451 1.00 50.00 C ATOM 212 CG2 VAL A 14 1.854 -0.195 2.111 1.00 50.00 C ATOM 0 H VAL A 14 3.402 0.527 4.483 1.00 10.00 H new ATOM 0 HA VAL A 14 5.061 1.230 2.149 1.00 10.00 H new ATOM 0 HB VAL A 14 3.238 0.511 0.634 1.00 50.00 H new ATOM 0 HG11 VAL A 14 3.538 -1.942 0.796 1.00 50.00 H new ATOM 0 HG12 VAL A 14 5.068 -1.059 1.013 1.00 50.00 H new ATOM 0 HG13 VAL A 14 4.227 -1.741 2.425 1.00 50.00 H new ATOM 0 HG21 VAL A 14 1.358 -0.897 1.440 1.00 50.00 H new ATOM 0 HG22 VAL A 14 1.876 -0.610 3.118 1.00 50.00 H new ATOM 0 HG23 VAL A 14 1.307 0.748 2.119 1.00 50.00 H new ATOM 222 N TRP A 15 3.079 2.972 1.420 1.00 10.00 N ATOM 223 CA TRP A 15 2.318 4.212 1.201 1.00 10.00 C ATOM 224 C TRP A 15 1.289 3.954 0.095 1.00 10.00 C ATOM 225 O TRP A 15 1.506 3.077 -0.749 1.00 50.00 O ATOM 226 CB TRP A 15 3.280 5.369 0.793 1.00 50.00 C ATOM 227 CG TRP A 15 4.241 5.809 1.883 1.00 50.00 C ATOM 228 CD1 TRP A 15 4.014 5.805 3.230 1.00 50.00 C ATOM 229 CD2 TRP A 15 5.577 6.317 1.718 1.00 50.00 C ATOM 230 NE1 TRP A 15 5.102 6.280 3.900 1.00 50.00 N ATOM 231 CE2 TRP A 15 6.079 6.598 3.002 1.00 50.00 C ATOM 232 CE3 TRP A 15 6.395 6.555 0.618 1.00 50.00 C ATOM 233 CZ2 TRP A 15 7.352 7.110 3.214 1.00 50.00 C ATOM 234 CZ3 TRP A 15 7.666 7.063 0.828 1.00 50.00 C ATOM 235 CH2 TRP A 15 8.133 7.336 2.118 1.00 50.00 C ATOM 0 H TRP A 15 3.438 2.574 0.552 1.00 10.00 H new ATOM 0 HA TRP A 15 1.809 4.508 2.118 1.00 10.00 H new ATOM 0 HB2 TRP A 15 3.857 5.054 -0.076 1.00 50.00 H new ATOM 0 HB3 TRP A 15 2.683 6.228 0.485 1.00 50.00 H new ATOM 0 HD1 TRP A 15 3.100 5.472 3.699 1.00 50.00 H new ATOM 0 HE1 TRP A 15 5.174 6.382 4.912 1.00 50.00 H new ATOM 0 HE3 TRP A 15 6.045 6.347 -0.382 1.00 50.00 H new ATOM 0 HZ2 TRP A 15 7.711 7.322 4.210 1.00 50.00 H new ATOM 0 HZ3 TRP A 15 8.308 7.252 -0.019 1.00 50.00 H new ATOM 0 HH2 TRP A 15 9.129 7.733 2.249 1.00 50.00 H new ATOM 246 N VAL A 16 0.176 4.709 0.087 1.00 10.00 N ATOM 247 CA VAL A 16 -0.867 4.585 -0.957 1.00 10.00 C ATOM 248 C VAL A 16 -0.843 5.833 -1.860 1.00 10.00 C ATOM 249 O VAL A 16 -1.298 6.920 -1.478 1.00 50.00 O ATOM 250 CB VAL A 16 -2.313 4.354 -0.368 1.00 50.00 C ATOM 251 CG1 VAL A 16 -3.392 4.356 -1.492 1.00 50.00 C ATOM 252 CG2 VAL A 16 -2.366 3.032 0.435 1.00 50.00 C ATOM 0 H VAL A 16 -0.028 5.416 0.794 1.00 10.00 H new ATOM 0 HA VAL A 16 -0.633 3.696 -1.542 1.00 10.00 H new ATOM 0 HB VAL A 16 -2.535 5.181 0.306 1.00 50.00 H new ATOM 0 HG11 VAL A 16 -4.376 4.194 -1.052 1.00 50.00 H new ATOM 0 HG12 VAL A 16 -3.378 5.316 -2.008 1.00 50.00 H new ATOM 0 HG13 VAL A 16 -3.177 3.559 -2.204 1.00 50.00 H new ATOM 0 HG21 VAL A 16 -3.370 2.889 0.834 1.00 50.00 H new ATOM 0 HG22 VAL A 16 -2.113 2.198 -0.220 1.00 50.00 H new ATOM 0 HG23 VAL A 16 -1.652 3.077 1.257 1.00 50.00 H new ATOM 262 N ARG A 17 -0.288 5.626 -3.058 1.00 10.00 N ATOM 263 CA ARG A 17 -0.131 6.626 -4.115 1.00 10.00 C ATOM 264 C ARG A 17 -1.458 6.759 -4.909 1.00 10.00 C ATOM 265 O ARG A 17 -1.801 5.881 -5.704 1.00 50.00 O ATOM 266 CB ARG A 17 1.039 6.142 -5.022 1.00 50.00 C ATOM 267 CG ARG A 17 1.354 7.039 -6.224 1.00 50.00 C ATOM 268 CD ARG A 17 2.365 6.406 -7.198 1.00 50.00 C ATOM 269 NE ARG A 17 2.621 7.271 -8.368 1.00 50.00 N ATOM 270 CZ ARG A 17 2.881 6.839 -9.617 1.00 50.00 C ATOM 271 NH1 ARG A 17 2.929 5.539 -9.898 1.00 75.00 N ATOM 272 NH2 ARG A 17 3.094 7.718 -10.587 1.00 75.00 N ATOM 0 H ARG A 17 0.081 4.714 -3.328 1.00 10.00 H new ATOM 0 HA ARG A 17 0.098 7.612 -3.711 1.00 10.00 H new ATOM 0 HB2 ARG A 17 1.937 6.054 -4.411 1.00 50.00 H new ATOM 0 HB3 ARG A 17 0.803 5.143 -5.388 1.00 50.00 H new ATOM 0 HG2 ARG A 17 0.430 7.258 -6.759 1.00 50.00 H new ATOM 0 HG3 ARG A 17 1.748 7.990 -5.867 1.00 50.00 H new ATOM 0 HD2 ARG A 17 3.302 6.216 -6.675 1.00 50.00 H new ATOM 0 HD3 ARG A 17 1.988 5.441 -7.536 1.00 50.00 H new ATOM 0 HE ARG A 17 2.599 8.280 -8.217 1.00 50.00 H new ATOM 0 HH11 ARG A 17 2.767 4.852 -9.162 1.00 75.00 H new ATOM 0 HH12 ARG A 17 3.127 5.230 -10.850 1.00 75.00 H new ATOM 0 HH21 ARG A 17 3.061 8.717 -10.386 1.00 75.00 H new ATOM 0 HH22 ARG A 17 3.291 7.395 -11.534 1.00 75.00 H new ATOM 286 N ARG A 18 -2.222 7.849 -4.686 1.00 10.00 N ATOM 287 CA ARG A 18 -3.582 7.997 -5.262 1.00 10.00 C ATOM 288 C ARG A 18 -3.758 9.343 -6.001 1.00 10.00 C ATOM 289 O ARG A 18 -3.394 10.399 -5.483 1.00 50.00 O ATOM 290 CB ARG A 18 -4.639 7.847 -4.144 1.00 50.00 C ATOM 291 CG ARG A 18 -6.107 7.967 -4.634 1.00 50.00 C ATOM 292 CD ARG A 18 -7.138 7.794 -3.512 1.00 50.00 C ATOM 293 NE ARG A 18 -7.127 6.427 -2.953 1.00 75.00 N ATOM 294 CZ ARG A 18 -6.855 6.103 -1.677 1.00 75.00 C ATOM 295 NH1 ARG A 18 -6.554 7.041 -0.779 1.00 75.00 N ATOM 296 NH2 ARG A 18 -6.901 4.836 -1.304 1.00 75.00 N ATOM 0 H ARG A 18 -1.924 8.639 -4.114 1.00 10.00 H new ATOM 0 HA ARG A 18 -3.721 7.209 -6.002 1.00 10.00 H new ATOM 0 HB2 ARG A 18 -4.507 6.878 -3.663 1.00 50.00 H new ATOM 0 HB3 ARG A 18 -4.458 8.608 -3.384 1.00 50.00 H new ATOM 0 HG2 ARG A 18 -6.248 8.942 -5.100 1.00 50.00 H new ATOM 0 HG3 ARG A 18 -6.288 7.216 -5.403 1.00 50.00 H new ATOM 0 HD2 ARG A 18 -6.932 8.512 -2.718 1.00 50.00 H new ATOM 0 HD3 ARG A 18 -8.133 8.020 -3.896 1.00 50.00 H new ATOM 0 HE ARG A 18 -7.345 5.662 -3.591 1.00 75.00 H new ATOM 0 HH11 ARG A 18 -6.527 8.022 -1.056 1.00 75.00 H new ATOM 0 HH12 ARG A 18 -6.350 6.777 0.185 1.00 75.00 H new ATOM 0 HH21 ARG A 18 -7.141 4.113 -1.982 1.00 75.00 H new ATOM 0 HH22 ARG A 18 -6.696 4.581 -0.338 1.00 75.00 H new ATOM 310 N HIS A 19 -4.331 9.269 -7.214 1.00 50.00 N ATOM 311 CA HIS A 19 -4.666 10.430 -8.061 1.00 50.00 C ATOM 312 C HIS A 19 -6.157 10.379 -8.410 1.00 50.00 C ATOM 313 O HIS A 19 -6.705 9.295 -8.638 1.00 75.00 O ATOM 314 CB HIS A 19 -3.808 10.430 -9.357 1.00 75.00 C ATOM 315 CG HIS A 19 -3.812 9.120 -10.122 1.00 75.00 C ATOM 316 ND1 HIS A 19 -4.600 8.892 -11.222 1.00 75.00 N ATOM 317 CD2 HIS A 19 -3.099 7.978 -9.940 1.00 75.00 C ATOM 318 CE1 HIS A 19 -4.373 7.680 -11.680 1.00 75.00 C ATOM 319 NE2 HIS A 19 -3.468 7.101 -10.920 1.00 75.00 N ATOM 0 H HIS A 19 -4.581 8.379 -7.645 1.00 50.00 H new ATOM 0 HA HIS A 19 -4.449 11.348 -7.515 1.00 50.00 H new ATOM 0 HB2 HIS A 19 -4.169 11.220 -10.015 1.00 75.00 H new ATOM 0 HB3 HIS A 19 -2.780 10.679 -9.095 1.00 75.00 H new ATOM 0 HD2 HIS A 19 -2.372 7.797 -9.162 1.00 75.00 H new ATOM 0 HE1 HIS A 19 -4.851 7.233 -12.539 1.00 75.00 H new ATOM 0 HE2 HIS A 19 -3.103 6.156 -11.042 1.00 75.00 H new ATOM 328 N GLN A 20 -6.810 11.555 -8.442 1.00 75.00 N ATOM 329 CA GLN A 20 -8.237 11.670 -8.809 1.00 75.00 C ATOM 330 C GLN A 20 -8.436 11.318 -10.289 1.00 75.00 C ATOM 331 O GLN A 20 -9.356 10.570 -10.646 1.00 75.00 O ATOM 332 CB GLN A 20 -8.760 13.098 -8.517 1.00 75.00 C ATOM 333 CG GLN A 20 -8.657 13.525 -7.043 1.00 75.00 C ATOM 334 CD GLN A 20 -9.482 12.646 -6.102 1.00 75.00 C ATOM 335 OE1 GLN A 20 -8.998 11.638 -5.596 1.00 75.00 O ATOM 336 NE2 GLN A 20 -10.737 13.011 -5.880 1.00 75.00 N ATOM 0 H GLN A 20 -6.369 12.447 -8.216 1.00 75.00 H new ATOM 0 HA GLN A 20 -8.808 10.965 -8.204 1.00 75.00 H new ATOM 0 HB2 GLN A 20 -8.202 13.808 -9.128 1.00 75.00 H new ATOM 0 HB3 GLN A 20 -9.803 13.160 -8.828 1.00 75.00 H new ATOM 0 HG2 GLN A 20 -7.612 13.495 -6.735 1.00 75.00 H new ATOM 0 HG3 GLN A 20 -8.988 14.559 -6.947 1.00 75.00 H new ATOM 0 HE21 GLN A 20 -11.108 13.855 -6.317 1.00 75.00 H new ATOM 0 HE22 GLN A 20 -11.332 12.448 -5.272 1.00 75.00 H new ATOM 345 N THR A 21 -7.552 11.860 -11.137 1.00 75.00 N ATOM 346 CA THR A 21 -7.504 11.546 -12.572 1.00 75.00 C ATOM 347 C THR A 21 -6.035 11.378 -13.008 1.00 75.00 C ATOM 348 O THR A 21 -5.118 11.660 -12.226 1.00 75.00 O ATOM 349 CB THR A 21 -8.240 12.633 -13.435 1.00 75.00 C ATOM 350 OG1 THR A 21 -8.367 12.168 -14.787 1.00 75.00 O ATOM 351 CG2 THR A 21 -7.517 13.992 -13.437 1.00 75.00 C ATOM 0 H THR A 21 -6.844 12.534 -10.845 1.00 75.00 H new ATOM 0 HA THR A 21 -8.035 10.609 -12.742 1.00 75.00 H new ATOM 0 HB THR A 21 -9.219 12.786 -12.981 1.00 75.00 H new ATOM 0 HG1 THR A 21 -8.828 12.846 -15.324 1.00 75.00 H new ATOM 0 HG21 THR A 21 -8.075 14.700 -14.050 1.00 75.00 H new ATOM 0 HG22 THR A 21 -7.450 14.370 -12.417 1.00 75.00 H new ATOM 0 HG23 THR A 21 -6.514 13.870 -13.845 1.00 75.00 H new ATOM 359 N LYS A 22 -5.837 10.915 -14.260 1.00 75.00 N ATOM 360 CA LYS A 22 -4.513 10.578 -14.828 1.00 75.00 C ATOM 361 C LYS A 22 -3.548 11.779 -14.771 1.00 75.00 C ATOM 362 O LYS A 22 -2.374 11.630 -14.412 1.00 75.00 O ATOM 363 CB LYS A 22 -4.674 10.135 -16.305 1.00 75.00 C ATOM 364 CG LYS A 22 -5.699 8.997 -16.549 1.00 75.00 C ATOM 365 CD LYS A 22 -5.981 8.769 -18.057 1.00 75.00 C ATOM 366 CE LYS A 22 -6.613 10.008 -18.733 1.00 75.00 C ATOM 367 NZ LYS A 22 -6.831 9.806 -20.186 1.00 75.00 N ATOM 0 H LYS A 22 -6.604 10.762 -14.915 1.00 75.00 H new ATOM 0 HA LYS A 22 -4.094 9.768 -14.231 1.00 75.00 H new ATOM 0 HB2 LYS A 22 -4.971 11.001 -16.896 1.00 75.00 H new ATOM 0 HB3 LYS A 22 -3.702 9.812 -16.678 1.00 75.00 H new ATOM 0 HG2 LYS A 22 -5.324 8.073 -16.109 1.00 75.00 H new ATOM 0 HG3 LYS A 22 -6.632 9.237 -16.040 1.00 75.00 H new ATOM 0 HD2 LYS A 22 -5.049 8.518 -18.564 1.00 75.00 H new ATOM 0 HD3 LYS A 22 -6.648 7.915 -18.174 1.00 75.00 H new ATOM 0 HE2 LYS A 22 -7.565 10.235 -18.253 1.00 75.00 H new ATOM 0 HE3 LYS A 22 -5.966 10.872 -18.582 1.00 75.00 H new ATOM 0 HZ1 LYS A 22 -7.256 10.662 -20.596 1.00 75.00 H new ATOM 0 HZ2 LYS A 22 -5.920 9.615 -20.650 1.00 75.00 H new ATOM 0 HZ3 LYS A 22 -7.470 8.999 -20.332 1.00 75.00 H new ATOM 381 N ASN A 23 -4.086 12.960 -15.128 1.00 75.00 N ATOM 382 CA ASN A 23 -3.318 14.205 -15.285 1.00 75.00 C ATOM 383 C ASN A 23 -2.950 14.830 -13.918 1.00 50.00 C ATOM 384 O ASN A 23 -1.935 15.531 -13.809 1.00 50.00 O ATOM 385 CB ASN A 23 -4.128 15.188 -16.169 1.00 50.00 C ATOM 386 CG ASN A 23 -3.376 16.479 -16.529 1.00 75.00 C ATOM 387 OD1 ASN A 23 -2.584 16.507 -17.471 1.00 75.00 O ATOM 388 ND2 ASN A 23 -3.637 17.557 -15.810 1.00 75.00 N ATOM 0 H ASN A 23 -5.081 13.076 -15.318 1.00 75.00 H new ATOM 0 HA ASN A 23 -2.372 13.980 -15.777 1.00 75.00 H new ATOM 0 HB2 ASN A 23 -4.415 14.679 -17.089 1.00 50.00 H new ATOM 0 HB3 ASN A 23 -5.050 15.451 -15.650 1.00 50.00 H new ATOM 0 HD21 ASN A 23 -3.178 18.441 -16.030 1.00 75.00 H new ATOM 0 HD22 ASN A 23 -4.298 17.505 -15.035 1.00 75.00 H new ATOM 395 N LEU A 24 -3.774 14.567 -12.881 1.00 10.00 N ATOM 396 CA LEU A 24 -3.480 15.018 -11.500 1.00 50.00 C ATOM 397 C LEU A 24 -2.378 14.150 -10.856 1.00 50.00 C ATOM 398 O LEU A 24 -2.270 12.949 -11.143 1.00 50.00 O ATOM 399 CB LEU A 24 -4.756 15.016 -10.607 1.00 50.00 C ATOM 400 CG LEU A 24 -5.821 16.114 -10.931 1.00 75.00 C ATOM 401 CD1 LEU A 24 -7.056 15.997 -10.018 1.00 75.00 C ATOM 402 CD2 LEU A 24 -5.214 17.531 -10.838 1.00 75.00 C ATOM 0 H LEU A 24 -4.646 14.046 -12.972 1.00 10.00 H new ATOM 0 HA LEU A 24 -3.121 16.045 -11.570 1.00 50.00 H new ATOM 0 HB2 LEU A 24 -5.233 14.039 -10.691 1.00 50.00 H new ATOM 0 HB3 LEU A 24 -4.448 15.132 -9.568 1.00 50.00 H new ATOM 0 HG LEU A 24 -6.146 15.948 -11.958 1.00 75.00 H new ATOM 0 HD11 LEU A 24 -7.773 16.777 -10.274 1.00 75.00 H new ATOM 0 HD12 LEU A 24 -7.519 15.020 -10.155 1.00 75.00 H new ATOM 0 HD13 LEU A 24 -6.752 16.111 -8.978 1.00 75.00 H new ATOM 0 HD21 LEU A 24 -5.980 18.271 -11.069 1.00 75.00 H new ATOM 0 HD22 LEU A 24 -4.838 17.700 -9.829 1.00 75.00 H new ATOM 0 HD23 LEU A 24 -4.394 17.623 -11.551 1.00 75.00 H new ATOM 414 N GLU A 25 -1.585 14.790 -9.976 1.00 50.00 N ATOM 415 CA GLU A 25 -0.465 14.163 -9.254 1.00 10.00 C ATOM 416 C GLU A 25 -0.962 13.006 -8.354 1.00 10.00 C ATOM 417 O GLU A 25 -1.921 13.193 -7.592 1.00 50.00 O ATOM 418 CB GLU A 25 0.270 15.239 -8.409 1.00 50.00 C ATOM 419 CG GLU A 25 0.895 16.372 -9.254 1.00 50.00 C ATOM 420 CD GLU A 25 1.393 17.551 -8.409 1.00 75.00 C ATOM 421 OE1 GLU A 25 0.562 18.382 -7.984 1.00 75.00 O ATOM 422 OE2 GLU A 25 2.606 17.639 -8.136 1.00 75.00 O ATOM 0 H GLU A 25 -1.708 15.776 -9.744 1.00 50.00 H new ATOM 0 HA GLU A 25 0.230 13.739 -9.979 1.00 10.00 H new ATOM 0 HB2 GLU A 25 -0.433 15.673 -7.699 1.00 50.00 H new ATOM 0 HB3 GLU A 25 1.055 14.757 -7.826 1.00 50.00 H new ATOM 0 HG2 GLU A 25 1.728 15.969 -9.831 1.00 50.00 H new ATOM 0 HG3 GLU A 25 0.156 16.733 -9.970 1.00 50.00 H new ATOM 429 N PRO A 26 -0.347 11.781 -8.458 1.00 10.00 N ATOM 430 CA PRO A 26 -0.677 10.640 -7.588 1.00 50.00 C ATOM 431 C PRO A 26 -0.134 10.853 -6.163 1.00 10.00 C ATOM 432 O PRO A 26 0.960 10.397 -5.816 1.00 50.00 O ATOM 433 CB PRO A 26 -0.045 9.423 -8.323 1.00 50.00 C ATOM 434 CG PRO A 26 0.383 9.935 -9.666 1.00 50.00 C ATOM 435 CD PRO A 26 0.692 11.398 -9.444 1.00 50.00 C ATOM 0 HA PRO A 26 -1.747 10.497 -7.438 1.00 50.00 H new ATOM 0 HB2 PRO A 26 0.805 9.028 -7.766 1.00 50.00 H new ATOM 0 HB3 PRO A 26 -0.765 8.611 -8.425 1.00 50.00 H new ATOM 0 HG2 PRO A 26 1.257 9.398 -10.033 1.00 50.00 H new ATOM 0 HG3 PRO A 26 -0.405 9.806 -10.408 1.00 50.00 H new ATOM 0 HD2 PRO A 26 1.699 11.549 -9.056 1.00 50.00 H new ATOM 0 HD3 PRO A 26 0.615 11.976 -10.365 1.00 50.00 H new ATOM 443 N ARG A 27 -0.921 11.580 -5.362 1.00 10.00 N ATOM 444 CA ARG A 27 -0.545 12.024 -4.019 1.00 10.00 C ATOM 445 C ARG A 27 -0.540 10.829 -3.055 1.00 10.00 C ATOM 446 O ARG A 27 -1.586 10.201 -2.837 1.00 50.00 O ATOM 447 CB ARG A 27 -1.531 13.115 -3.532 1.00 50.00 C ATOM 448 CG ARG A 27 -1.112 13.830 -2.231 1.00 50.00 C ATOM 449 CD ARG A 27 -2.083 14.949 -1.817 1.00 50.00 C ATOM 450 NE ARG A 27 -2.342 15.913 -2.909 1.00 50.00 N ATOM 451 CZ ARG A 27 -2.321 17.252 -2.806 1.00 75.00 C ATOM 452 NH1 ARG A 27 -2.040 17.853 -1.655 1.00 75.00 N ATOM 453 NH2 ARG A 27 -2.607 17.981 -3.870 1.00 75.00 N ATOM 0 H ARG A 27 -1.856 11.881 -5.637 1.00 10.00 H new ATOM 0 HA ARG A 27 0.458 12.449 -4.047 1.00 10.00 H new ATOM 0 HB2 ARG A 27 -1.644 13.860 -4.319 1.00 50.00 H new ATOM 0 HB3 ARG A 27 -2.510 12.659 -3.381 1.00 50.00 H new ATOM 0 HG2 ARG A 27 -1.047 13.098 -1.426 1.00 50.00 H new ATOM 0 HG3 ARG A 27 -0.115 14.252 -2.360 1.00 50.00 H new ATOM 0 HD2 ARG A 27 -3.026 14.506 -1.498 1.00 50.00 H new ATOM 0 HD3 ARG A 27 -1.673 15.481 -0.958 1.00 50.00 H new ATOM 0 HE ARG A 27 -2.557 15.524 -3.827 1.00 50.00 H new ATOM 0 HH11 ARG A 27 -1.834 17.296 -0.826 1.00 75.00 H new ATOM 0 HH12 ARG A 27 -2.030 18.871 -1.601 1.00 75.00 H new ATOM 0 HH21 ARG A 27 -2.839 17.526 -4.753 1.00 75.00 H new ATOM 0 HH22 ARG A 27 -2.596 18.999 -3.809 1.00 75.00 H new ATOM 467 N TRP A 28 0.646 10.506 -2.511 1.00 10.00 N ATOM 468 CA TRP A 28 0.821 9.379 -1.586 1.00 10.00 C ATOM 469 C TRP A 28 0.412 9.787 -0.156 1.00 10.00 C ATOM 470 O TRP A 28 0.640 10.927 0.268 1.00 50.00 O ATOM 471 CB TRP A 28 2.289 8.846 -1.612 1.00 50.00 C ATOM 472 CG TRP A 28 3.340 9.840 -1.144 1.00 50.00 C ATOM 473 CD1 TRP A 28 3.985 10.784 -1.897 1.00 50.00 C ATOM 474 CD2 TRP A 28 3.866 9.980 0.194 1.00 50.00 C ATOM 475 NE1 TRP A 28 4.882 11.474 -1.121 1.00 50.00 N ATOM 476 CE2 TRP A 28 4.824 11.001 0.166 1.00 50.00 C ATOM 477 CE3 TRP A 28 3.616 9.326 1.404 1.00 50.00 C ATOM 478 CZ2 TRP A 28 5.533 11.391 1.298 1.00 50.00 C ATOM 479 CZ3 TRP A 28 4.316 9.713 2.528 1.00 50.00 C ATOM 480 CH2 TRP A 28 5.265 10.741 2.470 1.00 50.00 C ATOM 0 H TRP A 28 1.507 11.019 -2.701 1.00 10.00 H new ATOM 0 HA TRP A 28 0.170 8.569 -1.915 1.00 10.00 H new ATOM 0 HB2 TRP A 28 2.348 7.956 -0.986 1.00 50.00 H new ATOM 0 HB3 TRP A 28 2.530 8.537 -2.629 1.00 50.00 H new ATOM 0 HD1 TRP A 28 3.813 10.960 -2.949 1.00 50.00 H new ATOM 0 HE1 TRP A 28 5.495 12.220 -1.449 1.00 50.00 H new ATOM 0 HE3 TRP A 28 2.887 8.531 1.458 1.00 50.00 H new ATOM 0 HZ2 TRP A 28 6.269 12.180 1.252 1.00 50.00 H new ATOM 0 HZ3 TRP A 28 4.129 9.215 3.468 1.00 50.00 H new ATOM 0 HH2 TRP A 28 5.795 11.025 3.367 1.00 50.00 H new ATOM 491 N LYS A 29 -0.222 8.850 0.545 1.00 10.00 N ATOM 492 CA LYS A 29 -0.516 8.955 1.982 1.00 10.00 C ATOM 493 C LYS A 29 0.303 7.904 2.720 1.00 10.00 C ATOM 494 O LYS A 29 0.707 6.897 2.119 1.00 50.00 O ATOM 495 CB LYS A 29 -2.023 8.734 2.257 1.00 50.00 C ATOM 496 CG LYS A 29 -2.952 9.765 1.595 1.00 50.00 C ATOM 497 CD LYS A 29 -4.428 9.545 1.981 1.00 50.00 C ATOM 498 CE LYS A 29 -5.365 10.585 1.359 1.00 50.00 C ATOM 499 NZ LYS A 29 -5.025 11.972 1.769 1.00 75.00 N ATOM 0 H LYS A 29 -0.554 7.980 0.128 1.00 10.00 H new ATOM 0 HA LYS A 29 -0.255 9.954 2.330 1.00 10.00 H new ATOM 0 HB2 LYS A 29 -2.300 7.739 1.910 1.00 50.00 H new ATOM 0 HB3 LYS A 29 -2.189 8.753 3.334 1.00 50.00 H new ATOM 0 HG2 LYS A 29 -2.646 10.769 1.889 1.00 50.00 H new ATOM 0 HG3 LYS A 29 -2.848 9.704 0.512 1.00 50.00 H new ATOM 0 HD2 LYS A 29 -4.737 8.549 1.665 1.00 50.00 H new ATOM 0 HD3 LYS A 29 -4.524 9.579 3.066 1.00 50.00 H new ATOM 0 HE2 LYS A 29 -5.318 10.508 0.273 1.00 50.00 H new ATOM 0 HE3 LYS A 29 -6.392 10.365 1.650 1.00 50.00 H new ATOM 0 HZ1 LYS A 29 -5.780 12.619 1.464 1.00 75.00 H new ATOM 0 HZ2 LYS A 29 -4.929 12.014 2.804 1.00 75.00 H new ATOM 0 HZ3 LYS A 29 -4.127 12.255 1.326 1.00 75.00 H new ATOM 513 N GLY A 30 0.524 8.123 4.022 1.00 10.00 N ATOM 514 CA GLY A 30 1.284 7.180 4.820 1.00 10.00 C ATOM 515 C GLY A 30 1.303 7.516 6.310 1.00 10.00 C ATOM 516 O GLY A 30 0.851 8.601 6.705 1.00 50.00 O ATOM 0 H GLY A 30 0.187 8.939 4.532 1.00 10.00 H new ATOM 0 HA2 GLY A 30 0.865 6.183 4.686 1.00 10.00 H new ATOM 0 HA3 GLY A 30 2.309 7.147 4.450 1.00 10.00 H new ATOM 520 N PRO A 31 1.818 6.583 7.180 1.00 10.00 N ATOM 521 CA PRO A 31 2.255 5.215 6.772 1.00 10.00 C ATOM 522 C PRO A 31 1.084 4.197 6.713 1.00 10.00 C ATOM 523 O PRO A 31 0.009 4.430 7.274 1.00 50.00 O ATOM 524 CB PRO A 31 3.271 4.849 7.882 1.00 50.00 C ATOM 525 CG PRO A 31 2.732 5.520 9.118 1.00 50.00 C ATOM 526 CD PRO A 31 2.047 6.805 8.641 1.00 50.00 C ATOM 0 HA PRO A 31 2.669 5.189 5.764 1.00 10.00 H new ATOM 0 HB2 PRO A 31 3.343 3.770 8.015 1.00 50.00 H new ATOM 0 HB3 PRO A 31 4.271 5.207 7.639 1.00 50.00 H new ATOM 0 HG2 PRO A 31 2.026 4.872 9.637 1.00 50.00 H new ATOM 0 HG3 PRO A 31 3.534 5.744 9.821 1.00 50.00 H new ATOM 0 HD2 PRO A 31 1.109 6.975 9.169 1.00 50.00 H new ATOM 0 HD3 PRO A 31 2.674 7.679 8.817 1.00 50.00 H new ATOM 534 N TYR A 32 1.317 3.098 5.992 1.00 10.00 N ATOM 535 CA TYR A 32 0.383 1.963 5.851 1.00 10.00 C ATOM 536 C TYR A 32 1.125 0.656 6.142 1.00 10.00 C ATOM 537 O TYR A 32 2.358 0.630 6.180 1.00 50.00 O ATOM 538 CB TYR A 32 -0.253 1.936 4.436 1.00 50.00 C ATOM 539 CG TYR A 32 -1.285 3.041 4.186 1.00 50.00 C ATOM 540 CD1 TYR A 32 -0.915 4.284 3.680 1.00 50.00 C ATOM 541 CD2 TYR A 32 -2.645 2.829 4.455 1.00 50.00 C ATOM 542 CE1 TYR A 32 -1.850 5.269 3.460 1.00 50.00 C ATOM 543 CE2 TYR A 32 -3.581 3.820 4.233 1.00 50.00 C ATOM 544 CZ TYR A 32 -3.175 5.038 3.732 1.00 50.00 C ATOM 545 OH TYR A 32 -4.101 6.036 3.506 1.00 50.00 O ATOM 0 H TYR A 32 2.184 2.963 5.472 1.00 10.00 H new ATOM 0 HA TYR A 32 -0.428 2.081 6.569 1.00 10.00 H new ATOM 0 HB2 TYR A 32 0.540 2.021 3.693 1.00 50.00 H new ATOM 0 HB3 TYR A 32 -0.731 0.968 4.284 1.00 50.00 H new ATOM 0 HD1 TYR A 32 0.124 4.478 3.456 1.00 50.00 H new ATOM 0 HD2 TYR A 32 -2.966 1.874 4.843 1.00 50.00 H new ATOM 0 HE1 TYR A 32 -1.540 6.228 3.072 1.00 50.00 H new ATOM 0 HE2 TYR A 32 -4.624 3.642 4.450 1.00 50.00 H new ATOM 0 HH TYR A 32 -4.994 5.714 3.748 1.00 50.00 H new ATOM 555 N THR A 33 0.355 -0.421 6.381 1.00 10.00 N ATOM 556 CA THR A 33 0.892 -1.730 6.791 1.00 10.00 C ATOM 557 C THR A 33 0.184 -2.871 6.026 1.00 10.00 C ATOM 558 O THR A 33 -0.997 -3.130 6.254 1.00 50.00 O ATOM 559 CB THR A 33 0.719 -1.932 8.344 1.00 50.00 C ATOM 560 OG1 THR A 33 -0.661 -1.790 8.717 1.00 50.00 O ATOM 561 CG2 THR A 33 1.574 -0.951 9.171 1.00 50.00 C ATOM 0 H THR A 33 -0.661 -0.407 6.295 1.00 10.00 H new ATOM 0 HA THR A 33 1.955 -1.755 6.549 1.00 10.00 H new ATOM 0 HB THR A 33 1.065 -2.941 8.566 1.00 50.00 H new ATOM 0 HG1 THR A 33 -0.754 -1.920 9.684 1.00 50.00 H new ATOM 0 HG21 THR A 33 1.415 -1.136 10.233 1.00 50.00 H new ATOM 0 HG22 THR A 33 2.627 -1.095 8.931 1.00 50.00 H new ATOM 0 HG23 THR A 33 1.285 0.073 8.934 1.00 50.00 H new ATOM 569 N VAL A 34 0.921 -3.557 5.133 1.00 10.00 N ATOM 570 CA VAL A 34 0.396 -4.684 4.336 1.00 10.00 C ATOM 571 C VAL A 34 0.365 -5.954 5.204 1.00 10.00 C ATOM 572 O VAL A 34 1.409 -6.394 5.706 1.00 50.00 O ATOM 573 CB VAL A 34 1.260 -4.956 3.045 1.00 50.00 C ATOM 574 CG1 VAL A 34 0.667 -6.092 2.186 1.00 50.00 C ATOM 575 CG2 VAL A 34 1.444 -3.678 2.208 1.00 50.00 C ATOM 0 H VAL A 34 1.900 -3.346 4.942 1.00 10.00 H new ATOM 0 HA VAL A 34 -0.610 -4.417 4.011 1.00 10.00 H new ATOM 0 HB VAL A 34 2.244 -5.279 3.386 1.00 50.00 H new ATOM 0 HG11 VAL A 34 1.292 -6.247 1.307 1.00 50.00 H new ATOM 0 HG12 VAL A 34 0.630 -7.010 2.772 1.00 50.00 H new ATOM 0 HG13 VAL A 34 -0.341 -5.822 1.871 1.00 50.00 H new ATOM 0 HG21 VAL A 34 2.044 -3.904 1.327 1.00 50.00 H new ATOM 0 HG22 VAL A 34 0.469 -3.303 1.897 1.00 50.00 H new ATOM 0 HG23 VAL A 34 1.949 -2.920 2.807 1.00 50.00 H new ATOM 585 N LEU A 35 -0.842 -6.509 5.392 1.00 10.00 N ATOM 586 CA LEU A 35 -1.061 -7.738 6.179 1.00 10.00 C ATOM 587 C LEU A 35 -0.972 -8.987 5.286 1.00 10.00 C ATOM 588 O LEU A 35 -0.765 -10.095 5.788 1.00 50.00 O ATOM 589 CB LEU A 35 -2.435 -7.675 6.889 1.00 50.00 C ATOM 590 CG LEU A 35 -2.657 -6.439 7.816 1.00 50.00 C ATOM 591 CD1 LEU A 35 -4.061 -6.463 8.442 1.00 50.00 C ATOM 592 CD2 LEU A 35 -1.554 -6.336 8.901 1.00 50.00 C ATOM 0 H LEU A 35 -1.699 -6.118 5.002 1.00 10.00 H new ATOM 0 HA LEU A 35 -0.277 -7.809 6.933 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -3.217 -7.683 6.130 1.00 50.00 H new ATOM 0 HB3 LEU A 35 -2.559 -8.580 7.484 1.00 50.00 H new ATOM 0 HG LEU A 35 -2.585 -5.545 7.197 1.00 50.00 H new ATOM 0 HD11 LEU A 35 -4.189 -5.591 9.083 1.00 50.00 H new ATOM 0 HD12 LEU A 35 -4.812 -6.446 7.652 1.00 50.00 H new ATOM 0 HD13 LEU A 35 -4.179 -7.370 9.035 1.00 50.00 H new ATOM 0 HD21 LEU A 35 -1.741 -5.464 9.528 1.00 50.00 H new ATOM 0 HD22 LEU A 35 -1.565 -7.235 9.517 1.00 50.00 H new ATOM 0 HD23 LEU A 35 -0.580 -6.236 8.422 1.00 50.00 H new ATOM 604 N LEU A 36 -1.159 -8.803 3.963 1.00 10.00 N ATOM 605 CA LEU A 36 -1.043 -9.899 2.984 1.00 10.00 C ATOM 606 C LEU A 36 -0.717 -9.351 1.590 1.00 10.00 C ATOM 607 O LEU A 36 -1.275 -8.342 1.177 1.00 50.00 O ATOM 608 CB LEU A 36 -2.361 -10.715 2.932 1.00 50.00 C ATOM 609 CG LEU A 36 -2.432 -11.851 1.853 1.00 50.00 C ATOM 610 CD1 LEU A 36 -1.350 -12.927 2.089 1.00 50.00 C ATOM 611 CD2 LEU A 36 -3.838 -12.459 1.787 1.00 50.00 C ATOM 0 H LEU A 36 -1.392 -7.901 3.548 1.00 10.00 H new ATOM 0 HA LEU A 36 -0.230 -10.552 3.301 1.00 10.00 H new ATOM 0 HB2 LEU A 36 -2.525 -11.163 3.912 1.00 50.00 H new ATOM 0 HB3 LEU A 36 -3.185 -10.024 2.756 1.00 50.00 H new ATOM 0 HG LEU A 36 -2.224 -11.402 0.882 1.00 50.00 H new ATOM 0 HD11 LEU A 36 -1.430 -13.698 1.322 1.00 50.00 H new ATOM 0 HD12 LEU A 36 -0.363 -12.467 2.040 1.00 50.00 H new ATOM 0 HD13 LEU A 36 -1.492 -13.377 3.072 1.00 50.00 H new ATOM 0 HD21 LEU A 36 -3.860 -13.244 1.031 1.00 50.00 H new ATOM 0 HD22 LEU A 36 -4.097 -12.882 2.757 1.00 50.00 H new ATOM 0 HD23 LEU A 36 -4.558 -11.683 1.525 1.00 50.00 H new ATOM 623 N THR A 37 0.161 -10.049 0.863 1.00 10.00 N ATOM 624 CA THR A 37 0.502 -9.724 -0.527 1.00 10.00 C ATOM 625 C THR A 37 -0.121 -10.763 -1.475 1.00 10.00 C ATOM 626 O THR A 37 0.033 -11.967 -1.261 1.00 50.00 O ATOM 627 CB THR A 37 2.055 -9.668 -0.704 1.00 50.00 C ATOM 628 OG1 THR A 37 2.654 -10.894 -0.229 1.00 50.00 O ATOM 629 CG2 THR A 37 2.663 -8.483 0.063 1.00 50.00 C ATOM 0 H THR A 37 0.659 -10.862 1.225 1.00 10.00 H new ATOM 0 HA THR A 37 0.097 -8.743 -0.775 1.00 10.00 H new ATOM 0 HB THR A 37 2.261 -9.540 -1.767 1.00 50.00 H new ATOM 0 HG1 THR A 37 1.990 -11.614 -0.255 1.00 50.00 H new ATOM 0 HG21 THR A 37 3.743 -8.473 -0.081 1.00 50.00 H new ATOM 0 HG22 THR A 37 2.238 -7.551 -0.311 1.00 50.00 H new ATOM 0 HG23 THR A 37 2.439 -8.584 1.125 1.00 50.00 H new ATOM 637 N THR A 38 -0.834 -10.278 -2.496 1.00 10.00 N ATOM 638 CA THR A 38 -1.514 -11.109 -3.505 1.00 10.00 C ATOM 639 C THR A 38 -1.050 -10.665 -4.925 1.00 10.00 C ATOM 640 O THR A 38 -0.411 -9.604 -5.047 1.00 50.00 O ATOM 641 CB THR A 38 -3.079 -10.997 -3.338 1.00 50.00 C ATOM 642 OG1 THR A 38 -3.490 -9.619 -3.343 1.00 50.00 O ATOM 643 CG2 THR A 38 -3.585 -11.680 -2.044 1.00 50.00 C ATOM 0 H THR A 38 -0.960 -9.278 -2.651 1.00 10.00 H new ATOM 0 HA THR A 38 -1.249 -12.157 -3.368 1.00 10.00 H new ATOM 0 HB THR A 38 -3.522 -11.518 -4.187 1.00 50.00 H new ATOM 0 HG1 THR A 38 -4.325 -9.525 -2.839 1.00 50.00 H new ATOM 0 HG21 THR A 38 -4.668 -11.575 -1.976 1.00 50.00 H new ATOM 0 HG22 THR A 38 -3.324 -12.738 -2.065 1.00 50.00 H new ATOM 0 HG23 THR A 38 -3.120 -11.209 -1.178 1.00 50.00 H new ATOM 651 N PRO A 39 -1.308 -11.492 -6.015 1.00 10.00 N ATOM 652 CA PRO A 39 -0.916 -11.145 -7.414 1.00 10.00 C ATOM 653 C PRO A 39 -1.366 -9.714 -7.811 1.00 10.00 C ATOM 654 O PRO A 39 -2.563 -9.415 -7.781 1.00 50.00 O ATOM 655 CB PRO A 39 -1.616 -12.243 -8.284 1.00 50.00 C ATOM 656 CG PRO A 39 -2.588 -12.925 -7.356 1.00 50.00 C ATOM 657 CD PRO A 39 -1.971 -12.828 -5.983 1.00 50.00 C ATOM 0 HA PRO A 39 0.165 -11.133 -7.549 1.00 10.00 H new ATOM 0 HB2 PRO A 39 -2.131 -11.800 -9.137 1.00 50.00 H new ATOM 0 HB3 PRO A 39 -0.890 -12.951 -8.683 1.00 50.00 H new ATOM 0 HG2 PRO A 39 -3.563 -12.439 -7.383 1.00 50.00 H new ATOM 0 HG3 PRO A 39 -2.742 -13.965 -7.644 1.00 50.00 H new ATOM 0 HD2 PRO A 39 -2.723 -12.888 -5.196 1.00 50.00 H new ATOM 0 HD3 PRO A 39 -1.256 -13.631 -5.803 1.00 50.00 H new ATOM 665 N THR A 40 -0.364 -8.845 -8.095 1.00 10.00 N ATOM 666 CA THR A 40 -0.504 -7.429 -8.547 1.00 10.00 C ATOM 667 C THR A 40 -1.375 -6.532 -7.610 1.00 10.00 C ATOM 668 O THR A 40 -1.761 -5.413 -7.985 1.00 50.00 O ATOM 669 CB THR A 40 -0.957 -7.320 -10.070 1.00 50.00 C ATOM 670 OG1 THR A 40 -0.643 -6.010 -10.586 1.00 50.00 O ATOM 671 CG2 THR A 40 -2.460 -7.596 -10.318 1.00 50.00 C ATOM 0 H THR A 40 0.614 -9.122 -8.012 1.00 10.00 H new ATOM 0 HA THR A 40 0.503 -7.017 -8.475 1.00 10.00 H new ATOM 0 HB THR A 40 -0.403 -8.102 -10.588 1.00 50.00 H new ATOM 0 HG1 THR A 40 -1.433 -5.434 -10.517 1.00 50.00 H new ATOM 0 HG21 THR A 40 -2.677 -7.499 -11.382 1.00 50.00 H new ATOM 0 HG22 THR A 40 -2.704 -8.606 -9.988 1.00 50.00 H new ATOM 0 HG23 THR A 40 -3.059 -6.877 -9.759 1.00 50.00 H new ATOM 679 N ALA A 41 -1.603 -6.986 -6.356 1.00 10.00 N ATOM 680 CA ALA A 41 -2.440 -6.257 -5.374 1.00 10.00 C ATOM 681 C ALA A 41 -1.928 -6.512 -3.958 1.00 10.00 C ATOM 682 O ALA A 41 -1.531 -7.624 -3.634 1.00 50.00 O ATOM 683 CB ALA A 41 -3.911 -6.685 -5.501 1.00 50.00 C ATOM 0 H ALA A 41 -1.216 -7.859 -5.998 1.00 10.00 H new ATOM 0 HA ALA A 41 -2.375 -5.189 -5.581 1.00 10.00 H new ATOM 0 HB1 ALA A 41 -4.512 -6.141 -4.773 1.00 50.00 H new ATOM 0 HB2 ALA A 41 -4.269 -6.463 -6.506 1.00 50.00 H new ATOM 0 HB3 ALA A 41 -3.996 -7.755 -5.314 1.00 50.00 H new ATOM 689 N LEU A 42 -1.931 -5.479 -3.109 1.00 10.00 N ATOM 690 CA LEU A 42 -1.471 -5.585 -1.716 1.00 10.00 C ATOM 691 C LEU A 42 -2.647 -5.342 -0.764 1.00 10.00 C ATOM 692 O LEU A 42 -3.300 -4.293 -0.827 1.00 50.00 O ATOM 693 CB LEU A 42 -0.321 -4.582 -1.435 1.00 50.00 C ATOM 694 CG LEU A 42 0.932 -4.670 -2.375 1.00 50.00 C ATOM 695 CD1 LEU A 42 2.066 -3.757 -1.879 1.00 50.00 C ATOM 696 CD2 LEU A 42 1.429 -6.121 -2.543 1.00 50.00 C ATOM 0 H LEU A 42 -2.252 -4.545 -3.366 1.00 10.00 H new ATOM 0 HA LEU A 42 -1.083 -6.590 -1.550 1.00 10.00 H new ATOM 0 HB2 LEU A 42 -0.726 -3.572 -1.500 1.00 50.00 H new ATOM 0 HB3 LEU A 42 0.013 -4.726 -0.407 1.00 50.00 H new ATOM 0 HG LEU A 42 0.617 -4.319 -3.357 1.00 50.00 H new ATOM 0 HD11 LEU A 42 2.920 -3.840 -2.551 1.00 50.00 H new ATOM 0 HD12 LEU A 42 1.719 -2.724 -1.859 1.00 50.00 H new ATOM 0 HD13 LEU A 42 2.364 -4.059 -0.875 1.00 50.00 H new ATOM 0 HD21 LEU A 42 2.298 -6.134 -3.202 1.00 50.00 H new ATOM 0 HD22 LEU A 42 1.706 -6.526 -1.570 1.00 50.00 H new ATOM 0 HD23 LEU A 42 0.635 -6.729 -2.977 1.00 50.00 H new ATOM 708 N LYS A 43 -2.909 -6.328 0.111 1.00 10.00 N ATOM 709 CA LYS A 43 -3.952 -6.239 1.132 1.00 10.00 C ATOM 710 C LYS A 43 -3.369 -5.536 2.363 1.00 10.00 C ATOM 711 O LYS A 43 -2.535 -6.108 3.096 1.00 50.00 O ATOM 712 CB LYS A 43 -4.481 -7.648 1.505 1.00 50.00 C ATOM 713 CG LYS A 43 -5.609 -7.640 2.555 1.00 50.00 C ATOM 714 CD LYS A 43 -6.188 -9.044 2.814 1.00 50.00 C ATOM 715 CE LYS A 43 -7.313 -9.032 3.859 1.00 50.00 C ATOM 716 NZ LYS A 43 -7.819 -10.398 4.145 1.00 75.00 N ATOM 0 H LYS A 43 -2.398 -7.210 0.125 1.00 10.00 H new ATOM 0 HA LYS A 43 -4.795 -5.667 0.745 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -4.844 -8.139 0.602 1.00 50.00 H new ATOM 0 HB3 LYS A 43 -3.652 -8.247 1.882 1.00 50.00 H new ATOM 0 HG2 LYS A 43 -5.227 -7.231 3.490 1.00 50.00 H new ATOM 0 HG3 LYS A 43 -6.407 -6.978 2.220 1.00 50.00 H new ATOM 0 HD2 LYS A 43 -6.569 -9.454 1.879 1.00 50.00 H new ATOM 0 HD3 LYS A 43 -5.390 -9.706 3.151 1.00 50.00 H new ATOM 0 HE2 LYS A 43 -6.947 -8.580 4.781 1.00 50.00 H new ATOM 0 HE3 LYS A 43 -8.133 -8.409 3.502 1.00 50.00 H new ATOM 0 HZ1 LYS A 43 -8.577 -10.346 4.855 1.00 75.00 H new ATOM 0 HZ2 LYS A 43 -8.192 -10.820 3.271 1.00 75.00 H new ATOM 0 HZ3 LYS A 43 -7.043 -10.986 4.510 1.00 75.00 H new ATOM 730 N VAL A 44 -3.825 -4.297 2.565 1.00 10.00 N ATOM 731 CA VAL A 44 -3.306 -3.371 3.579 1.00 10.00 C ATOM 732 C VAL A 44 -4.352 -3.173 4.695 1.00 10.00 C ATOM 733 O VAL A 44 -5.555 -3.146 4.424 1.00 50.00 O ATOM 734 CB VAL A 44 -2.958 -1.981 2.918 1.00 50.00 C ATOM 735 CG1 VAL A 44 -2.359 -0.987 3.939 1.00 50.00 C ATOM 736 CG2 VAL A 44 -2.025 -2.140 1.688 1.00 50.00 C ATOM 0 H VAL A 44 -4.585 -3.898 2.014 1.00 10.00 H new ATOM 0 HA VAL A 44 -2.399 -3.794 4.011 1.00 10.00 H new ATOM 0 HB VAL A 44 -3.901 -1.563 2.566 1.00 50.00 H new ATOM 0 HG11 VAL A 44 -2.135 -0.044 3.440 1.00 50.00 H new ATOM 0 HG12 VAL A 44 -3.077 -0.812 4.740 1.00 50.00 H new ATOM 0 HG13 VAL A 44 -1.443 -1.403 4.357 1.00 50.00 H new ATOM 0 HG21 VAL A 44 -1.811 -1.159 1.264 1.00 50.00 H new ATOM 0 HG22 VAL A 44 -1.093 -2.613 1.997 1.00 50.00 H new ATOM 0 HG23 VAL A 44 -2.515 -2.760 0.938 1.00 50.00 H new ATOM 746 N ASP A 45 -3.872 -3.047 5.943 1.00 10.00 N ATOM 747 CA ASP A 45 -4.694 -2.719 7.125 1.00 10.00 C ATOM 748 C ASP A 45 -5.325 -1.316 6.965 1.00 10.00 C ATOM 749 O ASP A 45 -4.642 -0.375 6.551 1.00 50.00 O ATOM 750 CB ASP A 45 -3.809 -2.772 8.399 1.00 50.00 C ATOM 751 CG ASP A 45 -4.587 -2.537 9.706 1.00 50.00 C ATOM 752 OD1 ASP A 45 -5.201 -3.492 10.219 1.00 50.00 O ATOM 753 OD2 ASP A 45 -4.591 -1.395 10.225 1.00 50.00 O ATOM 0 H ASP A 45 -2.884 -3.172 6.165 1.00 10.00 H new ATOM 0 HA ASP A 45 -5.499 -3.448 7.218 1.00 10.00 H new ATOM 0 HB2 ASP A 45 -3.318 -3.744 8.449 1.00 50.00 H new ATOM 0 HB3 ASP A 45 -3.023 -2.022 8.315 1.00 50.00 H new ATOM 758 N GLY A 46 -6.625 -1.198 7.290 1.00 10.00 N ATOM 759 CA GLY A 46 -7.371 0.063 7.178 1.00 10.00 C ATOM 760 C GLY A 46 -8.032 0.246 5.813 1.00 10.00 C ATOM 761 O GLY A 46 -8.988 1.015 5.681 1.00 50.00 O ATOM 0 H GLY A 46 -7.186 -1.976 7.638 1.00 10.00 H new ATOM 0 HA2 GLY A 46 -8.136 0.096 7.954 1.00 10.00 H new ATOM 0 HA3 GLY A 46 -6.694 0.897 7.362 1.00 10.00 H new ATOM 765 N ILE A 47 -7.504 -0.464 4.798 1.00 10.00 N ATOM 766 CA ILE A 47 -8.028 -0.469 3.419 1.00 10.00 C ATOM 767 C ILE A 47 -9.211 -1.452 3.316 1.00 10.00 C ATOM 768 O ILE A 47 -9.296 -2.408 4.101 1.00 50.00 O ATOM 769 CB ILE A 47 -6.867 -0.833 2.411 1.00 50.00 C ATOM 770 CG1 ILE A 47 -5.757 0.276 2.435 1.00 50.00 C ATOM 771 CG2 ILE A 47 -7.365 -1.093 0.968 1.00 50.00 C ATOM 772 CD1 ILE A 47 -6.225 1.679 2.072 1.00 50.00 C ATOM 0 H ILE A 47 -6.686 -1.061 4.916 1.00 10.00 H new ATOM 0 HA ILE A 47 -8.398 0.522 3.155 1.00 10.00 H new ATOM 0 HB ILE A 47 -6.439 -1.776 2.752 1.00 50.00 H new ATOM 0 HG12 ILE A 47 -5.318 0.305 3.432 1.00 50.00 H new ATOM 0 HG13 ILE A 47 -4.964 -0.013 1.746 1.00 50.00 H new ATOM 0 HG21 ILE A 47 -6.517 -1.337 0.329 1.00 50.00 H new ATOM 0 HG22 ILE A 47 -8.069 -1.925 0.970 1.00 50.00 H new ATOM 0 HG23 ILE A 47 -7.860 -0.200 0.588 1.00 50.00 H new ATOM 0 HD11 ILE A 47 -5.381 2.368 2.119 1.00 50.00 H new ATOM 0 HD12 ILE A 47 -6.635 1.676 1.062 1.00 50.00 H new ATOM 0 HD13 ILE A 47 -6.994 1.999 2.775 1.00 50.00 H new ATOM 784 N ALA A 48 -10.127 -1.202 2.350 1.00 10.00 N ATOM 785 CA ALA A 48 -11.326 -2.034 2.140 1.00 10.00 C ATOM 786 C ALA A 48 -10.948 -3.505 1.845 1.00 10.00 C ATOM 787 O ALA A 48 -11.448 -4.417 2.525 1.00 50.00 O ATOM 788 CB ALA A 48 -12.196 -1.445 1.015 1.00 50.00 C ATOM 0 H ALA A 48 -10.052 -0.420 1.699 1.00 10.00 H new ATOM 0 HA ALA A 48 -11.908 -2.029 3.061 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -13.077 -2.070 0.872 1.00 50.00 H new ATOM 0 HB2 ALA A 48 -12.507 -0.436 1.286 1.00 50.00 H new ATOM 0 HB3 ALA A 48 -11.621 -1.411 0.090 1.00 50.00 H new ATOM 794 N ALA A 49 -10.050 -3.737 0.861 1.00 10.00 N ATOM 795 CA ALA A 49 -9.554 -5.098 0.560 1.00 10.00 C ATOM 796 C ALA A 49 -8.132 -5.080 -0.028 1.00 10.00 C ATOM 797 O ALA A 49 -7.203 -5.623 0.573 1.00 50.00 O ATOM 798 CB ALA A 49 -10.524 -5.807 -0.402 1.00 50.00 C ATOM 0 H ALA A 49 -9.657 -3.007 0.267 1.00 10.00 H new ATOM 0 HA ALA A 49 -9.506 -5.649 1.499 1.00 10.00 H new ATOM 0 HB1 ALA A 49 -10.153 -6.809 -0.620 1.00 50.00 H new ATOM 0 HB2 ALA A 49 -11.509 -5.877 0.060 1.00 50.00 H new ATOM 0 HB3 ALA A 49 -10.598 -5.238 -1.329 1.00 50.00 H new ATOM 804 N TRP A 50 -7.955 -4.421 -1.188 1.00 10.00 N ATOM 805 CA TRP A 50 -6.663 -4.398 -1.910 1.00 10.00 C ATOM 806 C TRP A 50 -6.424 -3.035 -2.559 1.00 10.00 C ATOM 807 O TRP A 50 -7.349 -2.429 -3.122 1.00 50.00 O ATOM 808 CB TRP A 50 -6.586 -5.502 -3.013 1.00 50.00 C ATOM 809 CG TRP A 50 -6.528 -6.928 -2.501 1.00 50.00 C ATOM 810 CD1 TRP A 50 -5.433 -7.567 -1.994 1.00 50.00 C ATOM 811 CD2 TRP A 50 -7.589 -7.901 -2.498 1.00 50.00 C ATOM 812 NE1 TRP A 50 -5.755 -8.853 -1.639 1.00 50.00 N ATOM 813 CE2 TRP A 50 -7.070 -9.087 -1.940 1.00 50.00 C ATOM 814 CE3 TRP A 50 -8.927 -7.880 -2.898 1.00 50.00 C ATOM 815 CZ2 TRP A 50 -7.839 -10.239 -1.775 1.00 50.00 C ATOM 816 CZ3 TRP A 50 -9.692 -9.023 -2.737 1.00 50.00 C ATOM 817 CH2 TRP A 50 -9.147 -10.189 -2.178 1.00 50.00 C ATOM 0 H TRP A 50 -8.695 -3.893 -1.651 1.00 10.00 H new ATOM 0 HA TRP A 50 -5.891 -4.594 -1.166 1.00 10.00 H new ATOM 0 HB2 TRP A 50 -7.454 -5.403 -3.664 1.00 50.00 H new ATOM 0 HB3 TRP A 50 -5.704 -5.318 -3.627 1.00 50.00 H new ATOM 0 HD1 TRP A 50 -4.454 -7.124 -1.888 1.00 50.00 H new ATOM 0 HE1 TRP A 50 -5.116 -9.527 -1.218 1.00 50.00 H new ATOM 0 HE3 TRP A 50 -9.358 -6.987 -3.326 1.00 50.00 H new ATOM 0 HZ2 TRP A 50 -7.419 -11.137 -1.346 1.00 50.00 H new ATOM 0 HZ3 TRP A 50 -10.726 -9.017 -3.047 1.00 50.00 H new ATOM 0 HH2 TRP A 50 -9.771 -11.063 -2.063 1.00 50.00 H new ATOM 828 N ILE A 51 -5.175 -2.572 -2.460 1.00 10.00 N ATOM 829 CA ILE A 51 -4.640 -1.469 -3.260 1.00 10.00 C ATOM 830 C ILE A 51 -3.742 -2.094 -4.344 1.00 10.00 C ATOM 831 O ILE A 51 -2.750 -2.758 -4.015 1.00 50.00 O ATOM 832 CB ILE A 51 -3.813 -0.452 -2.379 1.00 50.00 C ATOM 833 CG1 ILE A 51 -4.691 0.159 -1.242 1.00 50.00 C ATOM 834 CG2 ILE A 51 -3.190 0.669 -3.247 1.00 50.00 C ATOM 835 CD1 ILE A 51 -5.852 1.017 -1.718 1.00 50.00 C ATOM 0 H ILE A 51 -4.494 -2.962 -1.808 1.00 10.00 H new ATOM 0 HA ILE A 51 -5.458 -0.900 -3.702 1.00 10.00 H new ATOM 0 HB ILE A 51 -3.001 -1.012 -1.916 1.00 50.00 H new ATOM 0 HG12 ILE A 51 -5.085 -0.653 -0.632 1.00 50.00 H new ATOM 0 HG13 ILE A 51 -4.054 0.763 -0.596 1.00 50.00 H new ATOM 0 HG21 ILE A 51 -2.628 1.352 -2.610 1.00 50.00 H new ATOM 0 HG22 ILE A 51 -2.521 0.228 -3.986 1.00 50.00 H new ATOM 0 HG23 ILE A 51 -3.982 1.217 -3.757 1.00 50.00 H new ATOM 0 HD11 ILE A 51 -6.402 1.396 -0.856 1.00 50.00 H new ATOM 0 HD12 ILE A 51 -5.470 1.855 -2.302 1.00 50.00 H new ATOM 0 HD13 ILE A 51 -6.518 0.417 -2.338 1.00 50.00 H new ATOM 847 N HIS A 52 -4.117 -1.911 -5.636 1.00 10.00 N ATOM 848 CA HIS A 52 -3.330 -2.417 -6.786 1.00 10.00 C ATOM 849 C HIS A 52 -1.906 -1.814 -6.743 1.00 10.00 C ATOM 850 O HIS A 52 -1.751 -0.659 -6.334 1.00 50.00 O ATOM 851 CB HIS A 52 -4.041 -2.089 -8.136 1.00 50.00 C ATOM 852 CG HIS A 52 -3.374 -2.680 -9.364 1.00 50.00 C ATOM 853 ND1 HIS A 52 -2.279 -2.108 -9.977 1.00 50.00 N ATOM 854 CD2 HIS A 52 -3.622 -3.821 -10.050 1.00 50.00 C ATOM 855 CE1 HIS A 52 -1.897 -2.866 -10.986 1.00 50.00 C ATOM 856 NE2 HIS A 52 -2.693 -3.912 -11.048 1.00 50.00 N ATOM 0 H HIS A 52 -4.965 -1.413 -5.906 1.00 10.00 H new ATOM 0 HA HIS A 52 -3.254 -3.502 -6.715 1.00 10.00 H new ATOM 0 HB2 HIS A 52 -5.068 -2.451 -8.087 1.00 50.00 H new ATOM 0 HB3 HIS A 52 -4.090 -1.006 -8.252 1.00 50.00 H new ATOM 0 HD2 HIS A 52 -4.411 -4.530 -9.846 1.00 50.00 H new ATOM 0 HE1 HIS A 52 -1.070 -2.663 -11.650 1.00 50.00 H new ATOM 0 HE2 HIS A 52 -2.627 -4.668 -11.730 1.00 50.00 H new ATOM 865 N ALA A 53 -0.903 -2.608 -7.178 1.00 10.00 N ATOM 866 CA ALA A 53 0.545 -2.316 -7.011 1.00 10.00 C ATOM 867 C ALA A 53 0.960 -0.917 -7.520 1.00 10.00 C ATOM 868 O ALA A 53 1.825 -0.278 -6.916 1.00 50.00 O ATOM 869 CB ALA A 53 1.379 -3.425 -7.690 1.00 50.00 C ATOM 0 H ALA A 53 -1.076 -3.487 -7.665 1.00 10.00 H new ATOM 0 HA ALA A 53 0.746 -2.305 -5.940 1.00 10.00 H new ATOM 0 HB1 ALA A 53 2.440 -3.209 -7.567 1.00 50.00 H new ATOM 0 HB2 ALA A 53 1.148 -4.386 -7.231 1.00 50.00 H new ATOM 0 HB3 ALA A 53 1.138 -3.463 -8.752 1.00 50.00 H new ATOM 875 N ALA A 54 0.314 -0.448 -8.607 1.00 10.00 N ATOM 876 CA ALA A 54 0.561 0.890 -9.216 1.00 10.00 C ATOM 877 C ALA A 54 0.325 2.057 -8.229 1.00 10.00 C ATOM 878 O ALA A 54 0.884 3.153 -8.391 1.00 50.00 O ATOM 879 CB ALA A 54 -0.349 1.068 -10.442 1.00 50.00 C ATOM 0 H ALA A 54 -0.401 -0.986 -9.096 1.00 10.00 H new ATOM 0 HA ALA A 54 1.612 0.921 -9.504 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -0.170 2.046 -10.889 1.00 50.00 H new ATOM 0 HB2 ALA A 54 -0.131 0.289 -11.173 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -1.392 0.995 -10.134 1.00 50.00 H new ATOM 885 N HIS A 55 -0.515 1.804 -7.226 1.00 10.00 N ATOM 886 CA HIS A 55 -0.963 2.803 -6.241 1.00 10.00 C ATOM 887 C HIS A 55 -0.307 2.554 -4.881 1.00 10.00 C ATOM 888 O HIS A 55 -0.837 2.955 -3.850 1.00 50.00 O ATOM 889 CB HIS A 55 -2.508 2.750 -6.116 1.00 50.00 C ATOM 890 CG HIS A 55 -3.221 2.971 -7.414 1.00 50.00 C ATOM 891 ND1 HIS A 55 -3.295 4.200 -8.014 1.00 50.00 N ATOM 892 CD2 HIS A 55 -3.866 2.112 -8.235 1.00 50.00 C ATOM 893 CE1 HIS A 55 -3.950 4.092 -9.145 1.00 50.00 C ATOM 894 NE2 HIS A 55 -4.305 2.835 -9.307 1.00 50.00 N ATOM 0 H HIS A 55 -0.915 0.879 -7.067 1.00 10.00 H new ATOM 0 HA HIS A 55 -0.665 3.795 -6.581 1.00 10.00 H new ATOM 0 HB2 HIS A 55 -2.799 1.780 -5.712 1.00 50.00 H new ATOM 0 HB3 HIS A 55 -2.833 3.505 -5.399 1.00 50.00 H new ATOM 0 HD1 HIS A 55 -2.902 5.064 -7.640 1.00 50.00 H new ATOM 0 HD2 HIS A 55 -4.007 1.054 -8.073 1.00 50.00 H new ATOM 0 HE1 HIS A 55 -4.163 4.900 -9.829 1.00 50.00 H new ATOM 903 N VAL A 56 0.864 1.894 -4.883 1.00 10.00 N ATOM 904 CA VAL A 56 1.631 1.619 -3.652 1.00 10.00 C ATOM 905 C VAL A 56 3.088 2.092 -3.832 1.00 10.00 C ATOM 906 O VAL A 56 3.607 2.099 -4.955 1.00 50.00 O ATOM 907 CB VAL A 56 1.626 0.083 -3.273 1.00 50.00 C ATOM 908 CG1 VAL A 56 2.289 -0.148 -1.895 1.00 50.00 C ATOM 909 CG2 VAL A 56 0.202 -0.522 -3.303 1.00 50.00 C ATOM 0 H VAL A 56 1.305 1.538 -5.731 1.00 10.00 H new ATOM 0 HA VAL A 56 1.149 2.165 -2.840 1.00 10.00 H new ATOM 0 HB VAL A 56 2.213 -0.434 -4.032 1.00 50.00 H new ATOM 0 HG11 VAL A 56 2.273 -1.212 -1.657 1.00 50.00 H new ATOM 0 HG12 VAL A 56 3.321 0.202 -1.924 1.00 50.00 H new ATOM 0 HG13 VAL A 56 1.741 0.403 -1.131 1.00 50.00 H new ATOM 0 HG21 VAL A 56 0.250 -1.578 -3.036 1.00 50.00 H new ATOM 0 HG22 VAL A 56 -0.432 0.004 -2.590 1.00 50.00 H new ATOM 0 HG23 VAL A 56 -0.216 -0.419 -4.304 1.00 50.00 H new ATOM 919 N LYS A 57 3.723 2.507 -2.728 1.00 10.00 N ATOM 920 CA LYS A 57 5.173 2.709 -2.663 1.00 10.00 C ATOM 921 C LYS A 57 5.691 2.059 -1.376 1.00 10.00 C ATOM 922 O LYS A 57 5.223 2.399 -0.292 1.00 50.00 O ATOM 923 CB LYS A 57 5.551 4.208 -2.703 1.00 50.00 C ATOM 924 CG LYS A 57 7.078 4.459 -2.565 1.00 50.00 C ATOM 925 CD LYS A 57 7.491 5.932 -2.748 1.00 50.00 C ATOM 926 CE LYS A 57 7.226 6.468 -4.167 1.00 50.00 C ATOM 927 NZ LYS A 57 7.649 7.884 -4.308 1.00 75.00 N ATOM 0 H LYS A 57 3.242 2.712 -1.852 1.00 10.00 H new ATOM 0 HA LYS A 57 5.634 2.247 -3.536 1.00 10.00 H new ATOM 0 HB2 LYS A 57 5.202 4.639 -3.641 1.00 50.00 H new ATOM 0 HB3 LYS A 57 5.030 4.729 -1.900 1.00 50.00 H new ATOM 0 HG2 LYS A 57 7.404 4.121 -1.581 1.00 50.00 H new ATOM 0 HG3 LYS A 57 7.604 3.851 -3.301 1.00 50.00 H new ATOM 0 HD2 LYS A 57 6.949 6.546 -2.028 1.00 50.00 H new ATOM 0 HD3 LYS A 57 8.552 6.035 -2.520 1.00 50.00 H new ATOM 0 HE2 LYS A 57 7.760 5.855 -4.893 1.00 50.00 H new ATOM 0 HE3 LYS A 57 6.164 6.381 -4.396 1.00 50.00 H new ATOM 0 HZ1 LYS A 57 7.455 8.210 -5.276 1.00 75.00 H new ATOM 0 HZ2 LYS A 57 7.121 8.473 -3.632 1.00 75.00 H new ATOM 0 HZ3 LYS A 57 8.668 7.963 -4.114 1.00 75.00 H new ATOM 941 N ALA A 58 6.643 1.117 -1.517 1.00 10.00 N ATOM 942 CA ALA A 58 7.301 0.450 -0.380 1.00 10.00 C ATOM 943 C ALA A 58 8.054 1.493 0.469 1.00 10.00 C ATOM 944 O ALA A 58 9.056 2.058 0.015 1.00 50.00 O ATOM 945 CB ALA A 58 8.267 -0.633 -0.894 1.00 50.00 C ATOM 0 H ALA A 58 6.978 0.797 -2.426 1.00 10.00 H new ATOM 0 HA ALA A 58 6.547 -0.030 0.245 1.00 10.00 H new ATOM 0 HB1 ALA A 58 8.750 -1.122 -0.048 1.00 50.00 H new ATOM 0 HB2 ALA A 58 7.711 -1.372 -1.471 1.00 50.00 H new ATOM 0 HB3 ALA A 58 9.025 -0.173 -1.528 1.00 50.00 H new ATOM 951 N ALA A 59 7.546 1.762 1.675 1.00 10.00 N ATOM 952 CA ALA A 59 8.084 2.792 2.578 1.00 10.00 C ATOM 953 C ALA A 59 9.231 2.220 3.407 1.00 10.00 C ATOM 954 O ALA A 59 9.182 1.051 3.808 1.00 50.00 O ATOM 955 CB ALA A 59 6.969 3.313 3.492 1.00 50.00 C ATOM 0 H ALA A 59 6.741 1.267 2.059 1.00 10.00 H new ATOM 0 HA ALA A 59 8.469 3.621 1.985 1.00 10.00 H new ATOM 0 HB1 ALA A 59 7.372 4.075 4.159 1.00 50.00 H new ATOM 0 HB2 ALA A 59 6.173 3.745 2.885 1.00 50.00 H new ATOM 0 HB3 ALA A 59 6.568 2.489 4.083 1.00 50.00 H new ATOM 961 N ASP A 60 10.259 3.052 3.647 1.00 10.00 N ATOM 962 CA ASP A 60 11.408 2.696 4.488 1.00 10.00 C ATOM 963 C ASP A 60 10.962 2.687 5.970 1.00 50.00 C ATOM 964 O ASP A 60 10.519 3.721 6.479 1.00 50.00 O ATOM 965 CB ASP A 60 12.580 3.711 4.268 1.00 50.00 C ATOM 966 CG ASP A 60 13.941 3.320 4.903 1.00 50.00 C ATOM 967 OD1 ASP A 60 14.041 2.295 5.620 1.00 50.00 O ATOM 968 OD2 ASP A 60 14.938 4.033 4.654 1.00 75.00 O ATOM 0 H ASP A 60 10.314 3.994 3.260 1.00 10.00 H new ATOM 0 HA ASP A 60 11.769 1.705 4.215 1.00 10.00 H new ATOM 0 HB2 ASP A 60 12.725 3.842 3.196 1.00 50.00 H new ATOM 0 HB3 ASP A 60 12.278 4.678 4.669 1.00 50.00 H new ATOM 973 N PRO A 61 11.017 1.505 6.670 1.00 50.00 N ATOM 974 CA PRO A 61 10.661 1.413 8.118 1.00 50.00 C ATOM 975 C PRO A 61 11.733 2.042 9.042 1.00 50.00 C ATOM 976 O PRO A 61 11.545 2.115 10.264 1.00 75.00 O ATOM 977 CB PRO A 61 10.533 -0.125 8.359 1.00 75.00 C ATOM 978 CG PRO A 61 10.565 -0.766 6.992 1.00 75.00 C ATOM 979 CD PRO A 61 11.381 0.164 6.130 1.00 50.00 C ATOM 0 HA PRO A 61 9.752 1.967 8.352 1.00 50.00 H new ATOM 0 HB2 PRO A 61 11.350 -0.492 8.981 1.00 75.00 H new ATOM 0 HB3 PRO A 61 9.605 -0.362 8.879 1.00 75.00 H new ATOM 0 HG2 PRO A 61 11.015 -1.758 7.034 1.00 75.00 H new ATOM 0 HG3 PRO A 61 9.558 -0.889 6.593 1.00 75.00 H new ATOM 0 HD2 PRO A 61 12.449 -0.033 6.219 1.00 50.00 H new ATOM 0 HD3 PRO A 61 11.126 0.068 5.075 1.00 50.00 H new ATOM 987 N GLY A 62 12.861 2.477 8.444 1.00 50.00 N ATOM 988 CA GLY A 62 13.997 3.029 9.191 1.00 50.00 C ATOM 989 C GLY A 62 14.886 1.939 9.785 1.00 75.00 C ATOM 990 O GLY A 62 15.745 2.221 10.632 1.00 75.00 O ATOM 0 H GLY A 62 13.004 2.453 7.434 1.00 50.00 H new ATOM 0 HA2 GLY A 62 14.592 3.659 8.530 1.00 50.00 H new ATOM 0 HA3 GLY A 62 13.626 3.668 9.992 1.00 50.00 H new ATOM 994 N GLY A 63 14.678 0.689 9.322 1.00 75.00 N ATOM 995 CA GLY A 63 15.411 -0.473 9.814 1.00 75.00 C ATOM 996 C GLY A 63 14.602 -1.737 9.601 1.00 75.00 C ATOM 997 O GLY A 63 14.869 -2.513 8.672 1.00 75.00 O ATOM 0 H GLY A 63 13.995 0.468 8.597 1.00 75.00 H new ATOM 0 HA2 GLY A 63 16.367 -0.554 9.296 1.00 75.00 H new ATOM 0 HA3 GLY A 63 15.632 -0.349 10.874 1.00 75.00 H new ATOM 1001 N GLY A 64 13.584 -1.931 10.455 1.00 75.00 N ATOM 1002 CA GLY A 64 12.687 -3.075 10.355 1.00 75.00 C ATOM 1003 C GLY A 64 11.701 -3.118 11.515 1.00 75.00 C ATOM 1004 O GLY A 64 12.139 -3.108 12.667 1.00 75.00 O ATOM 0 H GLY A 64 13.367 -1.300 11.226 1.00 75.00 H new ATOM 0 HA2 GLY A 64 12.140 -3.028 9.413 1.00 75.00 H new ATOM 0 HA3 GLY A 64 13.271 -3.995 10.339 1.00 75.00 H new ATOM 1008 N PRO A 65 10.352 -3.201 11.259 1.00 75.00 N ATOM 1009 CA PRO A 65 9.324 -3.207 12.328 1.00 75.00 C ATOM 1010 C PRO A 65 9.104 -4.613 12.921 1.00 75.00 C ATOM 1011 O PRO A 65 8.221 -4.791 13.763 1.00 75.00 O ATOM 1012 CB PRO A 65 8.072 -2.706 11.570 1.00 75.00 C ATOM 1013 CG PRO A 65 8.223 -3.259 10.171 1.00 75.00 C ATOM 1014 CD PRO A 65 9.726 -3.335 9.906 1.00 75.00 C ATOM 0 HA PRO A 65 9.594 -2.597 13.190 1.00 75.00 H new ATOM 0 HB2 PRO A 65 7.156 -3.063 12.040 1.00 75.00 H new ATOM 0 HB3 PRO A 65 8.023 -1.617 11.562 1.00 75.00 H new ATOM 0 HG2 PRO A 65 7.762 -4.244 10.089 1.00 75.00 H new ATOM 0 HG3 PRO A 65 7.731 -2.615 9.442 1.00 75.00 H new ATOM 0 HD2 PRO A 65 9.999 -4.279 9.434 1.00 75.00 H new ATOM 0 HD3 PRO A 65 10.052 -2.538 9.237 1.00 75.00 H new ATOM 1022 N SER A 66 9.947 -5.579 12.468 1.00 75.00 N ATOM 1023 CA SER A 66 9.850 -7.027 12.741 1.00 75.00 C ATOM 1024 C SER A 66 9.612 -7.354 14.228 1.00 75.00 C ATOM 1025 O SER A 66 8.684 -8.095 14.559 1.00 75.00 O ATOM 1026 CB SER A 66 11.142 -7.705 12.228 1.00 75.00 C ATOM 1027 OG SER A 66 12.300 -7.072 12.762 1.00 75.00 O ATOM 0 H SER A 66 10.747 -5.353 11.876 1.00 75.00 H new ATOM 0 HA SER A 66 8.976 -7.413 12.216 1.00 75.00 H new ATOM 0 HB2 SER A 66 11.139 -8.759 12.507 1.00 75.00 H new ATOM 0 HB3 SER A 66 11.171 -7.663 11.139 1.00 75.00 H new ATOM 0 HG SER A 66 13.103 -7.520 12.424 1.00 75.00 H new ATOM 1033 N SER A 67 10.436 -6.751 15.108 1.00 75.00 N ATOM 1034 CA SER A 67 10.403 -7.006 16.559 1.00 75.00 C ATOM 1035 C SER A 67 9.083 -6.530 17.209 1.00 75.00 C ATOM 1036 O SER A 67 8.718 -6.996 18.299 1.00 75.00 O ATOM 1037 CB SER A 67 11.631 -6.332 17.231 1.00 75.00 C ATOM 1038 OG SER A 67 11.705 -6.635 18.615 1.00 75.00 O ATOM 0 H SER A 67 11.144 -6.072 14.830 1.00 75.00 H new ATOM 0 HA SER A 67 10.451 -8.084 16.714 1.00 75.00 H new ATOM 0 HB2 SER A 67 12.544 -6.664 16.737 1.00 75.00 H new ATOM 0 HB3 SER A 67 11.571 -5.252 17.098 1.00 75.00 H new ATOM 0 HG SER A 67 12.490 -6.196 19.004 1.00 75.00 H new ATOM 1044 N ARG A 68 8.376 -5.615 16.524 1.00 75.00 N ATOM 1045 CA ARG A 68 7.139 -4.987 17.027 1.00 75.00 C ATOM 1046 C ARG A 68 5.881 -5.430 16.246 1.00 75.00 C ATOM 1047 O ARG A 68 4.777 -5.003 16.599 1.00 75.00 O ATOM 1048 CB ARG A 68 7.265 -3.445 16.973 1.00 75.00 C ATOM 1049 CG ARG A 68 8.400 -2.847 17.835 1.00 75.00 C ATOM 1050 CD ARG A 68 8.306 -1.320 17.940 1.00 75.00 C ATOM 1051 NE ARG A 68 7.006 -0.891 18.489 1.00 75.00 N ATOM 1052 CZ ARG A 68 6.703 0.342 18.906 1.00 75.00 C ATOM 1053 NH1 ARG A 68 7.595 1.325 18.857 1.00 75.00 N ATOM 1054 NH2 ARG A 68 5.490 0.582 19.368 1.00 75.00 N ATOM 0 H ARG A 68 8.648 -5.287 15.597 1.00 75.00 H new ATOM 0 HA ARG A 68 7.015 -5.319 18.058 1.00 75.00 H new ATOM 0 HB2 ARG A 68 7.421 -3.145 15.937 1.00 75.00 H new ATOM 0 HB3 ARG A 68 6.319 -3.008 17.292 1.00 75.00 H new ATOM 0 HG2 ARG A 68 8.362 -3.281 18.834 1.00 75.00 H new ATOM 0 HG3 ARG A 68 9.363 -3.121 17.405 1.00 75.00 H new ATOM 0 HD2 ARG A 68 9.110 -0.949 18.575 1.00 75.00 H new ATOM 0 HD3 ARG A 68 8.449 -0.878 16.954 1.00 75.00 H new ATOM 0 HE ARG A 68 6.274 -1.598 18.556 1.00 75.00 H new ATOM 0 HH11 ARG A 68 8.532 1.146 18.496 1.00 75.00 H new ATOM 0 HH12 ARG A 68 7.343 2.259 19.180 1.00 75.00 H new ATOM 0 HH21 ARG A 68 4.800 -0.168 19.403 1.00 75.00 H new ATOM 0 HH22 ARG A 68 5.243 1.518 19.690 1.00 75.00 H new ATOM 1068 N LEU A 69 6.036 -6.264 15.190 1.00 75.00 N ATOM 1069 CA LEU A 69 4.885 -6.750 14.384 1.00 75.00 C ATOM 1070 C LEU A 69 4.035 -7.738 15.206 1.00 75.00 C ATOM 1071 O LEU A 69 4.288 -8.949 15.210 1.00 75.00 O ATOM 1072 CB LEU A 69 5.371 -7.410 13.062 1.00 75.00 C ATOM 1073 CG LEU A 69 6.132 -6.474 12.075 1.00 75.00 C ATOM 1074 CD1 LEU A 69 6.664 -7.241 10.849 1.00 75.00 C ATOM 1075 CD2 LEU A 69 5.255 -5.274 11.656 1.00 75.00 C ATOM 0 H LEU A 69 6.941 -6.614 14.876 1.00 75.00 H new ATOM 0 HA LEU A 69 4.264 -5.893 14.122 1.00 75.00 H new ATOM 0 HB2 LEU A 69 6.022 -8.247 13.314 1.00 75.00 H new ATOM 0 HB3 LEU A 69 4.505 -7.824 12.545 1.00 75.00 H new ATOM 0 HG LEU A 69 7.000 -6.082 12.605 1.00 75.00 H new ATOM 0 HD11 LEU A 69 7.188 -6.551 10.187 1.00 75.00 H new ATOM 0 HD12 LEU A 69 7.351 -8.021 11.178 1.00 75.00 H new ATOM 0 HD13 LEU A 69 5.830 -7.695 10.314 1.00 75.00 H new ATOM 0 HD21 LEU A 69 5.812 -4.639 10.968 1.00 75.00 H new ATOM 0 HD22 LEU A 69 4.352 -5.637 11.165 1.00 75.00 H new ATOM 0 HD23 LEU A 69 4.980 -4.698 12.540 1.00 75.00 H new ATOM 1087 N THR A 70 3.056 -7.189 15.942 1.00 75.00 N ATOM 1088 CA THR A 70 2.161 -7.965 16.823 1.00 75.00 C ATOM 1089 C THR A 70 1.044 -8.651 16.025 1.00 75.00 C ATOM 1090 O THR A 70 0.363 -9.550 16.551 1.00 75.00 O ATOM 1091 CB THR A 70 1.531 -7.052 17.918 1.00 75.00 C ATOM 1092 OG1 THR A 70 0.787 -6.002 17.285 1.00 75.00 O ATOM 1093 CG2 THR A 70 2.594 -6.438 18.846 1.00 75.00 C ATOM 0 H THR A 70 2.860 -6.188 15.944 1.00 75.00 H new ATOM 0 HA THR A 70 2.769 -8.733 17.302 1.00 75.00 H new ATOM 0 HB THR A 70 0.877 -7.671 18.532 1.00 75.00 H new ATOM 0 HG1 THR A 70 0.387 -5.426 17.970 1.00 75.00 H new ATOM 0 HG21 THR A 70 2.107 -5.810 19.592 1.00 75.00 H new ATOM 0 HG22 THR A 70 3.145 -7.235 19.346 1.00 75.00 H new ATOM 0 HG23 THR A 70 3.285 -5.833 18.258 1.00 75.00 H new ATOM 1101 N TRP A 71 0.847 -8.201 14.768 1.00 75.00 N ATOM 1102 CA TRP A 71 -0.081 -8.843 13.832 1.00 75.00 C ATOM 1103 C TRP A 71 0.332 -10.308 13.618 1.00 75.00 C ATOM 1104 O TRP A 71 1.510 -10.597 13.399 1.00 75.00 O ATOM 1105 CB TRP A 71 -0.115 -8.087 12.479 1.00 75.00 C ATOM 1106 CG TRP A 71 -0.615 -6.667 12.580 1.00 75.00 C ATOM 1107 CD1 TRP A 71 -1.910 -6.265 12.764 1.00 75.00 C ATOM 1108 CD2 TRP A 71 0.165 -5.466 12.495 1.00 75.00 C ATOM 1109 NE1 TRP A 71 -1.980 -4.897 12.794 1.00 75.00 N ATOM 1110 CE2 TRP A 71 -0.720 -4.383 12.633 1.00 75.00 C ATOM 1111 CE3 TRP A 71 1.527 -5.205 12.316 1.00 75.00 C ATOM 1112 CZ2 TRP A 71 -0.291 -3.063 12.594 1.00 75.00 C ATOM 1113 CZ3 TRP A 71 1.951 -3.890 12.280 1.00 75.00 C ATOM 1114 CH2 TRP A 71 1.045 -2.834 12.418 1.00 75.00 C ATOM 0 H TRP A 71 1.326 -7.388 14.382 1.00 75.00 H new ATOM 0 HA TRP A 71 -1.084 -8.812 14.258 1.00 75.00 H new ATOM 0 HB2 TRP A 71 0.889 -8.078 12.055 1.00 75.00 H new ATOM 0 HB3 TRP A 71 -0.750 -8.636 11.784 1.00 75.00 H new ATOM 0 HD1 TRP A 71 -2.755 -6.930 12.870 1.00 75.00 H new ATOM 0 HE1 TRP A 71 -2.832 -4.350 12.916 1.00 75.00 H new ATOM 0 HE3 TRP A 71 2.233 -6.015 12.208 1.00 75.00 H new ATOM 0 HZ2 TRP A 71 -0.989 -2.245 12.699 1.00 75.00 H new ATOM 0 HZ3 TRP A 71 3.000 -3.674 12.143 1.00 75.00 H new ATOM 0 HH2 TRP A 71 1.408 -1.817 12.385 1.00 75.00 H new ATOM 1125 N ARG A 72 -0.632 -11.220 13.742 1.00 75.00 N ATOM 1126 CA ARG A 72 -0.416 -12.659 13.547 1.00 75.00 C ATOM 1127 C ARG A 72 -1.412 -13.184 12.496 1.00 75.00 C ATOM 1128 O ARG A 72 -2.461 -13.758 12.815 1.00 75.00 O ATOM 1129 CB ARG A 72 -0.489 -13.425 14.912 1.00 75.00 C ATOM 1130 CG ARG A 72 -1.729 -13.106 15.792 1.00 75.00 C ATOM 1131 CD ARG A 72 -1.781 -13.946 17.085 1.00 75.00 C ATOM 1132 NE ARG A 72 -0.639 -13.672 17.977 1.00 75.00 N ATOM 1133 CZ ARG A 72 -0.059 -14.561 18.807 1.00 75.00 C ATOM 1134 NH1 ARG A 72 -0.491 -15.812 18.893 1.00 75.00 N ATOM 1135 NH2 ARG A 72 0.965 -14.179 19.553 1.00 75.00 N ATOM 0 H ARG A 72 -1.594 -10.982 13.983 1.00 75.00 H new ATOM 0 HA ARG A 72 0.588 -12.839 13.163 1.00 75.00 H new ATOM 0 HB2 ARG A 72 -0.475 -14.496 14.709 1.00 75.00 H new ATOM 0 HB3 ARG A 72 0.410 -13.197 15.485 1.00 75.00 H new ATOM 0 HG2 ARG A 72 -1.720 -12.048 16.053 1.00 75.00 H new ATOM 0 HG3 ARG A 72 -2.635 -13.284 15.212 1.00 75.00 H new ATOM 0 HD2 ARG A 72 -2.711 -13.737 17.614 1.00 75.00 H new ATOM 0 HD3 ARG A 72 -1.792 -15.005 16.827 1.00 75.00 H new ATOM 0 HE ARG A 72 -0.255 -12.727 17.965 1.00 75.00 H new ATOM 0 HH11 ARG A 72 -1.279 -16.120 18.323 1.00 75.00 H new ATOM 0 HH12 ARG A 72 -0.035 -16.466 19.529 1.00 75.00 H new ATOM 0 HH21 ARG A 72 1.308 -13.220 19.496 1.00 75.00 H new ATOM 0 HH22 ARG A 72 1.412 -14.844 20.185 1.00 75.00 H new ATOM 1149 N VAL A 73 -1.076 -12.923 11.224 1.00 75.00 N ATOM 1150 CA VAL A 73 -1.854 -13.372 10.056 1.00 75.00 C ATOM 1151 C VAL A 73 -1.078 -14.527 9.357 1.00 75.00 C ATOM 1152 O VAL A 73 0.159 -14.570 9.445 1.00 75.00 O ATOM 1153 CB VAL A 73 -2.097 -12.174 9.057 1.00 75.00 C ATOM 1154 CG1 VAL A 73 -3.075 -12.548 7.923 1.00 75.00 C ATOM 1155 CG2 VAL A 73 -2.578 -10.899 9.806 1.00 50.00 C ATOM 0 H VAL A 73 -0.245 -12.387 10.973 1.00 75.00 H new ATOM 0 HA VAL A 73 -2.831 -13.732 10.380 1.00 75.00 H new ATOM 0 HB VAL A 73 -1.135 -11.953 8.594 1.00 75.00 H new ATOM 0 HG11 VAL A 73 -3.210 -11.692 7.262 1.00 75.00 H new ATOM 0 HG12 VAL A 73 -2.670 -13.385 7.354 1.00 75.00 H new ATOM 0 HG13 VAL A 73 -4.037 -12.832 8.351 1.00 75.00 H new ATOM 0 HG21 VAL A 73 -2.736 -10.093 9.089 1.00 50.00 H new ATOM 0 HG22 VAL A 73 -3.513 -11.112 10.324 1.00 50.00 H new ATOM 0 HG23 VAL A 73 -1.823 -10.596 10.531 1.00 50.00 H new ATOM 1165 N GLN A 74 -1.830 -15.445 8.702 1.00 75.00 N ATOM 1166 CA GLN A 74 -1.306 -16.644 7.995 1.00 75.00 C ATOM 1167 C GLN A 74 -0.657 -17.645 8.996 1.00 75.00 C ATOM 1168 O GLN A 74 0.366 -18.285 8.713 1.00 75.00 O ATOM 1169 CB GLN A 74 -0.343 -16.218 6.832 1.00 75.00 C ATOM 1170 CG GLN A 74 0.028 -17.343 5.828 1.00 75.00 C ATOM 1171 CD GLN A 74 0.861 -16.868 4.631 1.00 75.00 C ATOM 1172 OE1 GLN A 74 0.723 -15.736 4.166 1.00 75.00 O ATOM 1173 NE2 GLN A 74 1.745 -17.728 4.130 1.00 75.00 N ATOM 0 H GLN A 74 -2.846 -15.372 8.648 1.00 75.00 H new ATOM 0 HA GLN A 74 -2.137 -17.177 7.533 1.00 75.00 H new ATOM 0 HB2 GLN A 74 -0.807 -15.400 6.280 1.00 75.00 H new ATOM 0 HB3 GLN A 74 0.576 -15.827 7.269 1.00 75.00 H new ATOM 0 HG2 GLN A 74 0.582 -18.118 6.357 1.00 75.00 H new ATOM 0 HG3 GLN A 74 -0.889 -17.802 5.459 1.00 75.00 H new ATOM 0 HE21 GLN A 74 1.837 -18.659 4.536 1.00 75.00 H new ATOM 0 HE22 GLN A 74 2.330 -17.456 3.340 1.00 75.00 H new ATOM 1182 N ARG A 75 -1.308 -17.816 10.163 1.00 75.00 N ATOM 1183 CA ARG A 75 -0.773 -18.635 11.276 1.00 75.00 C ATOM 1184 C ARG A 75 -1.430 -20.031 11.310 1.00 75.00 C ATOM 1185 O ARG A 75 -2.144 -20.385 12.259 1.00 75.00 O ATOM 1186 CB ARG A 75 -0.968 -17.886 12.618 1.00 75.00 C ATOM 1187 CG ARG A 75 -0.262 -16.517 12.692 1.00 75.00 C ATOM 1188 CD ARG A 75 1.265 -16.618 12.527 1.00 75.00 C ATOM 1189 NE ARG A 75 1.874 -17.534 13.511 1.00 75.00 N ATOM 1190 CZ ARG A 75 3.079 -17.388 14.078 1.00 75.00 C ATOM 1191 NH1 ARG A 75 3.856 -16.349 13.783 1.00 75.00 N ATOM 1192 NH2 ARG A 75 3.502 -18.296 14.939 1.00 75.00 N ATOM 0 H ARG A 75 -2.215 -17.394 10.363 1.00 75.00 H new ATOM 0 HA ARG A 75 0.294 -18.789 11.116 1.00 75.00 H new ATOM 0 HB2 ARG A 75 -2.035 -17.741 12.787 1.00 75.00 H new ATOM 0 HB3 ARG A 75 -0.600 -18.515 13.428 1.00 75.00 H new ATOM 0 HG2 ARG A 75 -0.663 -15.865 11.916 1.00 75.00 H new ATOM 0 HG3 ARG A 75 -0.488 -16.049 13.650 1.00 75.00 H new ATOM 0 HD2 ARG A 75 1.498 -16.963 11.520 1.00 75.00 H new ATOM 0 HD3 ARG A 75 1.706 -15.627 12.634 1.00 75.00 H new ATOM 0 HE ARG A 75 1.329 -18.352 13.784 1.00 75.00 H new ATOM 0 HH11 ARG A 75 3.537 -15.647 13.115 1.00 75.00 H new ATOM 0 HH12 ARG A 75 4.771 -16.254 14.225 1.00 75.00 H new ATOM 0 HH21 ARG A 75 2.913 -19.097 15.166 1.00 75.00 H new ATOM 0 HH22 ARG A 75 4.418 -18.196 15.377 1.00 75.00 H new ATOM 1206 N SER A 76 -1.180 -20.797 10.236 1.00 75.00 N ATOM 1207 CA SER A 76 -1.628 -22.193 10.076 1.00 75.00 C ATOM 1208 C SER A 76 -0.990 -22.776 8.797 1.00 75.00 C ATOM 1209 O SER A 76 -0.073 -22.158 8.230 1.00 75.00 O ATOM 1210 CB SER A 76 -3.178 -22.286 10.047 1.00 75.00 C ATOM 1211 OG SER A 76 -3.735 -21.398 9.101 1.00 75.00 O ATOM 0 H SER A 76 -0.648 -20.456 9.435 1.00 75.00 H new ATOM 0 HA SER A 76 -1.302 -22.783 10.933 1.00 75.00 H new ATOM 0 HB2 SER A 76 -3.477 -23.307 9.809 1.00 75.00 H new ATOM 0 HB3 SER A 76 -3.575 -22.060 11.037 1.00 75.00 H new ATOM 0 HG SER A 76 -4.711 -21.483 9.107 1.00 75.00 H new ATOM 1217 N GLN A 77 -1.458 -23.965 8.349 1.00 75.00 N ATOM 1218 CA GLN A 77 -0.912 -24.645 7.157 1.00 75.00 C ATOM 1219 C GLN A 77 -1.390 -23.943 5.864 1.00 75.00 C ATOM 1220 O GLN A 77 -2.361 -24.372 5.222 1.00 75.00 O ATOM 1221 CB GLN A 77 -1.289 -26.150 7.167 1.00 75.00 C ATOM 1222 CG GLN A 77 -0.621 -26.988 6.058 1.00 75.00 C ATOM 1223 CD GLN A 77 -1.023 -28.461 6.094 1.00 75.00 C ATOM 1224 OE1 GLN A 77 -0.382 -29.278 6.756 1.00 75.00 O ATOM 1225 NE2 GLN A 77 -2.084 -28.816 5.392 1.00 75.00 N ATOM 0 H GLN A 77 -2.218 -24.474 8.801 1.00 75.00 H new ATOM 0 HA GLN A 77 0.176 -24.579 7.183 1.00 75.00 H new ATOM 0 HB2 GLN A 77 -1.019 -26.572 8.135 1.00 75.00 H new ATOM 0 HB3 GLN A 77 -2.371 -26.240 7.070 1.00 75.00 H new ATOM 0 HG2 GLN A 77 -0.884 -26.570 5.087 1.00 75.00 H new ATOM 0 HG3 GLN A 77 0.462 -26.911 6.155 1.00 75.00 H new ATOM 0 HE21 GLN A 77 -2.596 -28.118 4.853 1.00 75.00 H new ATOM 0 HE22 GLN A 77 -2.392 -29.789 5.389 1.00 75.00 H new ATOM 1234 N ASN A 78 -0.711 -22.816 5.550 1.00 75.00 N ATOM 1235 CA ASN A 78 -0.920 -21.995 4.333 1.00 75.00 C ATOM 1236 C ASN A 78 -2.421 -21.653 4.106 1.00 75.00 C ATOM 1237 O ASN A 78 -3.019 -22.115 3.128 1.00 75.00 O ATOM 1238 CB ASN A 78 -0.283 -22.670 3.070 1.00 75.00 C ATOM 1239 CG ASN A 78 1.244 -22.831 3.123 1.00 75.00 C ATOM 1240 OD1 ASN A 78 1.924 -22.725 2.096 1.00 75.00 O ATOM 1241 ND2 ASN A 78 1.804 -23.145 4.286 1.00 75.00 N ATOM 0 H ASN A 78 0.020 -22.441 6.154 1.00 75.00 H new ATOM 0 HA ASN A 78 -0.404 -21.049 4.495 1.00 75.00 H new ATOM 0 HB2 ASN A 78 -0.733 -23.654 2.936 1.00 75.00 H new ATOM 0 HB3 ASN A 78 -0.541 -22.079 2.191 1.00 75.00 H new ATOM 0 HD21 ASN A 78 2.810 -23.303 4.341 1.00 75.00 H new ATOM 0 HD22 ASN A 78 1.228 -23.228 5.124 1.00 75.00 H new ATOM 1248 N PRO A 79 -3.058 -20.839 5.015 1.00 75.00 N ATOM 1249 CA PRO A 79 -4.489 -20.443 4.870 1.00 75.00 C ATOM 1250 C PRO A 79 -4.692 -19.412 3.741 1.00 75.00 C ATOM 1251 O PRO A 79 -5.795 -19.269 3.200 1.00 75.00 O ATOM 1252 CB PRO A 79 -4.820 -19.836 6.256 1.00 75.00 C ATOM 1253 CG PRO A 79 -3.514 -19.271 6.736 1.00 75.00 C ATOM 1254 CD PRO A 79 -2.449 -20.236 6.240 1.00 75.00 C ATOM 0 HA PRO A 79 -5.134 -21.278 4.597 1.00 75.00 H new ATOM 0 HB2 PRO A 79 -5.584 -19.062 6.179 1.00 75.00 H new ATOM 0 HB3 PRO A 79 -5.201 -20.593 6.941 1.00 75.00 H new ATOM 0 HG2 PRO A 79 -3.351 -18.269 6.340 1.00 75.00 H new ATOM 0 HG3 PRO A 79 -3.496 -19.191 7.823 1.00 75.00 H new ATOM 0 HD2 PRO A 79 -1.517 -19.720 6.011 1.00 75.00 H new ATOM 0 HD3 PRO A 79 -2.218 -20.995 6.987 1.00 75.00 H new ATOM 1262 N LEU A 80 -3.597 -18.708 3.401 1.00 75.00 N ATOM 1263 CA LEU A 80 -3.579 -17.650 2.390 1.00 75.00 C ATOM 1264 C LEU A 80 -2.711 -18.113 1.219 1.00 75.00 C ATOM 1265 O LEU A 80 -1.476 -18.108 1.310 1.00 75.00 O ATOM 1266 CB LEU A 80 -3.042 -16.338 3.023 1.00 75.00 C ATOM 1267 CG LEU A 80 -3.834 -15.826 4.273 1.00 75.00 C ATOM 1268 CD1 LEU A 80 -3.177 -14.585 4.889 1.00 75.00 C ATOM 1269 CD2 LEU A 80 -5.319 -15.565 3.922 1.00 75.00 C ATOM 0 H LEU A 80 -2.686 -18.866 3.833 1.00 75.00 H new ATOM 0 HA LEU A 80 -4.584 -17.449 2.019 1.00 75.00 H new ATOM 0 HB2 LEU A 80 -2.002 -16.492 3.310 1.00 75.00 H new ATOM 0 HB3 LEU A 80 -3.051 -15.557 2.263 1.00 75.00 H new ATOM 0 HG LEU A 80 -3.804 -16.613 5.027 1.00 75.00 H new ATOM 0 HD11 LEU A 80 -3.755 -14.259 5.754 1.00 75.00 H new ATOM 0 HD12 LEU A 80 -2.162 -14.828 5.202 1.00 75.00 H new ATOM 0 HD13 LEU A 80 -3.147 -13.784 4.150 1.00 75.00 H new ATOM 0 HD21 LEU A 80 -5.845 -15.210 4.808 1.00 75.00 H new ATOM 0 HD22 LEU A 80 -5.380 -14.811 3.137 1.00 75.00 H new ATOM 0 HD23 LEU A 80 -5.778 -16.490 3.573 1.00 75.00 H new ATOM 1281 N LYS A 81 -3.372 -18.595 0.152 1.00 75.00 N ATOM 1282 CA LYS A 81 -2.696 -19.086 -1.054 1.00 75.00 C ATOM 1283 C LYS A 81 -2.180 -17.893 -1.883 1.00 75.00 C ATOM 1284 O LYS A 81 -2.921 -17.306 -2.686 1.00 75.00 O ATOM 1285 CB LYS A 81 -3.647 -19.991 -1.887 1.00 75.00 C ATOM 1286 CG LYS A 81 -4.089 -21.296 -1.178 1.00 75.00 C ATOM 1287 CD LYS A 81 -2.889 -22.200 -0.788 1.00 75.00 C ATOM 1288 CE LYS A 81 -3.323 -23.583 -0.271 1.00 75.00 C ATOM 1289 NZ LYS A 81 -4.235 -23.501 0.901 1.00 75.00 N ATOM 0 H LYS A 81 -4.389 -18.654 0.105 1.00 75.00 H new ATOM 0 HA LYS A 81 -1.841 -19.696 -0.763 1.00 75.00 H new ATOM 0 HB2 LYS A 81 -4.536 -19.417 -2.148 1.00 75.00 H new ATOM 0 HB3 LYS A 81 -3.151 -20.252 -2.822 1.00 75.00 H new ATOM 0 HG2 LYS A 81 -4.656 -21.044 -0.282 1.00 75.00 H new ATOM 0 HG3 LYS A 81 -4.760 -21.852 -1.833 1.00 75.00 H new ATOM 0 HD2 LYS A 81 -2.241 -22.329 -1.655 1.00 75.00 H new ATOM 0 HD3 LYS A 81 -2.298 -21.700 -0.020 1.00 75.00 H new ATOM 0 HE2 LYS A 81 -3.820 -24.127 -1.075 1.00 75.00 H new ATOM 0 HE3 LYS A 81 -2.438 -24.157 0.003 1.00 75.00 H new ATOM 0 HZ1 LYS A 81 -4.454 -24.460 1.238 1.00 75.00 H new ATOM 0 HZ2 LYS A 81 -3.774 -22.963 1.663 1.00 75.00 H new ATOM 0 HZ3 LYS A 81 -5.115 -23.022 0.623 1.00 75.00 H new ATOM 1303 N ILE A 82 -0.927 -17.503 -1.612 1.00 75.00 N ATOM 1304 CA ILE A 82 -0.245 -16.417 -2.330 1.00 75.00 C ATOM 1305 C ILE A 82 0.132 -16.868 -3.765 1.00 75.00 C ATOM 1306 O ILE A 82 1.210 -17.422 -4.007 1.00 75.00 O ATOM 1307 CB ILE A 82 1.013 -15.896 -1.522 1.00 75.00 C ATOM 1308 CG1 ILE A 82 1.993 -17.064 -1.139 1.00 75.00 C ATOM 1309 CG2 ILE A 82 0.555 -15.137 -0.253 1.00 75.00 C ATOM 1310 CD1 ILE A 82 3.324 -16.607 -0.572 1.00 75.00 C ATOM 0 H ILE A 82 -0.355 -17.934 -0.885 1.00 75.00 H new ATOM 0 HA ILE A 82 -0.933 -15.576 -2.418 1.00 75.00 H new ATOM 0 HB ILE A 82 1.561 -15.213 -2.171 1.00 75.00 H new ATOM 0 HG12 ILE A 82 1.503 -17.708 -0.409 1.00 75.00 H new ATOM 0 HG13 ILE A 82 2.179 -17.671 -2.025 1.00 75.00 H new ATOM 0 HG21 ILE A 82 1.429 -14.783 0.295 1.00 75.00 H new ATOM 0 HG22 ILE A 82 -0.062 -14.286 -0.541 1.00 75.00 H new ATOM 0 HG23 ILE A 82 -0.025 -15.807 0.382 1.00 75.00 H new ATOM 0 HD11 ILE A 82 3.937 -17.477 -0.336 1.00 75.00 H new ATOM 0 HD12 ILE A 82 3.840 -15.989 -1.307 1.00 75.00 H new ATOM 0 HD13 ILE A 82 3.153 -16.026 0.335 1.00 75.00 H new ATOM 1322 N ARG A 83 -0.804 -16.684 -4.714 1.00 75.00 N ATOM 1323 CA ARG A 83 -0.598 -17.066 -6.119 1.00 75.00 C ATOM 1324 C ARG A 83 0.369 -16.080 -6.801 1.00 75.00 C ATOM 1325 O ARG A 83 -0.030 -15.022 -7.286 1.00 75.00 O ATOM 1326 CB ARG A 83 -1.948 -17.125 -6.869 1.00 75.00 C ATOM 1327 CG ARG A 83 -1.839 -17.504 -8.368 1.00 75.00 C ATOM 1328 CD ARG A 83 -3.176 -17.384 -9.109 1.00 75.00 C ATOM 1329 NE ARG A 83 -3.746 -16.023 -8.996 1.00 75.00 N ATOM 1330 CZ ARG A 83 -4.420 -15.376 -9.958 1.00 75.00 C ATOM 1331 NH1 ARG A 83 -4.634 -15.935 -11.140 1.00 75.00 N ATOM 1332 NH2 ARG A 83 -4.890 -14.168 -9.727 1.00 75.00 N ATOM 0 H ARG A 83 -1.717 -16.269 -4.528 1.00 75.00 H new ATOM 0 HA ARG A 83 -0.153 -18.060 -6.151 1.00 75.00 H new ATOM 0 HB2 ARG A 83 -2.594 -17.849 -6.371 1.00 75.00 H new ATOM 0 HB3 ARG A 83 -2.436 -16.154 -6.788 1.00 75.00 H new ATOM 0 HG2 ARG A 83 -1.103 -16.859 -8.849 1.00 75.00 H new ATOM 0 HG3 ARG A 83 -1.471 -18.527 -8.454 1.00 75.00 H new ATOM 0 HD2 ARG A 83 -3.032 -17.632 -10.161 1.00 75.00 H new ATOM 0 HD3 ARG A 83 -3.882 -18.109 -8.704 1.00 75.00 H new ATOM 0 HE ARG A 83 -3.615 -15.535 -8.110 1.00 75.00 H new ATOM 0 HH11 ARG A 83 -4.284 -16.874 -11.331 1.00 75.00 H new ATOM 0 HH12 ARG A 83 -5.149 -15.427 -11.859 1.00 75.00 H new ATOM 0 HH21 ARG A 83 -4.741 -13.728 -8.819 1.00 75.00 H new ATOM 0 HH22 ARG A 83 -5.403 -13.672 -10.456 1.00 75.00 H new ATOM 1346 N LEU A 84 1.656 -16.425 -6.783 1.00 75.00 N ATOM 1347 CA LEU A 84 2.710 -15.634 -7.436 1.00 75.00 C ATOM 1348 C LEU A 84 2.772 -15.983 -8.940 1.00 75.00 C ATOM 1349 O LEU A 84 2.336 -17.074 -9.342 1.00 75.00 O ATOM 1350 CB LEU A 84 4.058 -15.910 -6.727 1.00 75.00 C ATOM 1351 CG LEU A 84 4.076 -15.666 -5.178 1.00 75.00 C ATOM 1352 CD1 LEU A 84 5.434 -16.057 -4.564 1.00 75.00 C ATOM 1353 CD2 LEU A 84 3.705 -14.205 -4.836 1.00 75.00 C ATOM 0 H LEU A 84 2.003 -17.262 -6.315 1.00 75.00 H new ATOM 0 HA LEU A 84 2.490 -14.569 -7.355 1.00 75.00 H new ATOM 0 HB2 LEU A 84 4.341 -16.945 -6.916 1.00 75.00 H new ATOM 0 HB3 LEU A 84 4.823 -15.282 -7.184 1.00 75.00 H new ATOM 0 HG LEU A 84 3.318 -16.311 -4.735 1.00 75.00 H new ATOM 0 HD11 LEU A 84 5.413 -15.876 -3.489 1.00 75.00 H new ATOM 0 HD12 LEU A 84 5.627 -17.114 -4.750 1.00 75.00 H new ATOM 0 HD13 LEU A 84 6.224 -15.459 -5.018 1.00 75.00 H new ATOM 0 HD21 LEU A 84 3.726 -14.068 -3.755 1.00 75.00 H new ATOM 0 HD22 LEU A 84 4.422 -13.529 -5.302 1.00 75.00 H new ATOM 0 HD23 LEU A 84 2.705 -13.987 -5.210 1.00 75.00 H new ATOM 1365 N THR A 85 3.294 -15.040 -9.750 1.00 75.00 N ATOM 1366 CA THR A 85 3.375 -15.164 -11.217 1.00 75.00 C ATOM 1367 C THR A 85 4.158 -16.431 -11.634 1.00 75.00 C ATOM 1368 O THR A 85 5.282 -16.661 -11.154 1.00 75.00 O ATOM 1369 CB THR A 85 4.039 -13.886 -11.838 1.00 75.00 C ATOM 1370 OG1 THR A 85 3.345 -12.711 -11.385 1.00 75.00 O ATOM 1371 CG2 THR A 85 4.043 -13.918 -13.381 1.00 75.00 C ATOM 0 H THR A 85 3.675 -14.162 -9.399 1.00 75.00 H new ATOM 0 HA THR A 85 2.359 -15.257 -11.600 1.00 75.00 H new ATOM 0 HB THR A 85 5.077 -13.865 -11.506 1.00 75.00 H new ATOM 0 HG1 THR A 85 3.763 -11.914 -11.773 1.00 75.00 H new ATOM 0 HG21 THR A 85 4.513 -13.012 -13.763 1.00 75.00 H new ATOM 0 HG22 THR A 85 4.601 -14.789 -13.725 1.00 75.00 H new ATOM 0 HG23 THR A 85 3.018 -13.976 -13.746 1.00 75.00 H new ATOM 1379 N ARG A 86 3.540 -17.236 -12.515 1.00 75.00 N ATOM 1380 CA ARG A 86 4.117 -18.482 -13.031 1.00 75.00 C ATOM 1381 C ARG A 86 5.279 -18.169 -13.998 1.00 75.00 C ATOM 1382 O ARG A 86 5.187 -17.213 -14.788 1.00 75.00 O ATOM 1383 CB ARG A 86 3.036 -19.291 -13.790 1.00 75.00 C ATOM 1384 CG ARG A 86 3.456 -20.734 -14.176 1.00 75.00 C ATOM 1385 CD ARG A 86 2.508 -21.385 -15.187 1.00 75.00 C ATOM 1386 NE ARG A 86 2.621 -20.743 -16.519 1.00 75.00 N ATOM 1387 CZ ARG A 86 1.594 -20.332 -17.284 1.00 75.00 C ATOM 1388 NH1 ARG A 86 0.338 -20.469 -16.875 1.00 75.00 N ATOM 1389 NH2 ARG A 86 1.832 -19.795 -18.468 1.00 75.00 N ATOM 0 H ARG A 86 2.614 -17.034 -12.892 1.00 75.00 H new ATOM 0 HA ARG A 86 4.490 -19.065 -12.189 1.00 75.00 H new ATOM 0 HB2 ARG A 86 2.139 -19.341 -13.172 1.00 75.00 H new ATOM 0 HB3 ARG A 86 2.768 -18.750 -14.698 1.00 75.00 H new ATOM 0 HG2 ARG A 86 4.463 -20.714 -14.592 1.00 75.00 H new ATOM 0 HG3 ARG A 86 3.495 -21.348 -13.276 1.00 75.00 H new ATOM 0 HD2 ARG A 86 2.737 -22.447 -15.272 1.00 75.00 H new ATOM 0 HD3 ARG A 86 1.481 -21.307 -14.829 1.00 75.00 H new ATOM 0 HE ARG A 86 3.561 -20.600 -16.888 1.00 75.00 H new ATOM 0 HH11 ARG A 86 0.140 -20.891 -15.968 1.00 75.00 H new ATOM 0 HH12 ARG A 86 -0.429 -20.152 -17.468 1.00 75.00 H new ATOM 0 HH21 ARG A 86 2.792 -19.694 -18.798 1.00 75.00 H new ATOM 0 HH22 ARG A 86 1.056 -19.482 -19.051 1.00 75.00 H new ATOM 1403 N GLU A 87 6.353 -18.980 -13.940 1.00 75.00 N ATOM 1404 CA GLU A 87 7.445 -18.956 -14.941 1.00 75.00 C ATOM 1405 C GLU A 87 6.920 -19.524 -16.272 1.00 75.00 C ATOM 1406 O GLU A 87 5.959 -20.299 -16.275 1.00 75.00 O ATOM 1407 CB GLU A 87 8.697 -19.752 -14.444 1.00 75.00 C ATOM 1408 CG GLU A 87 8.530 -21.296 -14.290 1.00 75.00 C ATOM 1409 CD GLU A 87 7.654 -21.727 -13.093 1.00 75.00 C ATOM 1410 OE1 GLU A 87 8.184 -21.848 -11.966 1.00 75.00 O ATOM 1411 OE2 GLU A 87 6.436 -21.931 -13.262 1.00 75.00 O ATOM 0 H GLU A 87 6.491 -19.670 -13.201 1.00 75.00 H new ATOM 0 HA GLU A 87 7.766 -17.925 -15.089 1.00 75.00 H new ATOM 0 HB2 GLU A 87 9.516 -19.566 -15.139 1.00 75.00 H new ATOM 0 HB3 GLU A 87 8.998 -19.344 -13.479 1.00 75.00 H new ATOM 0 HG2 GLU A 87 8.094 -21.695 -15.206 1.00 75.00 H new ATOM 0 HG3 GLU A 87 9.517 -21.747 -14.184 1.00 75.00 H new ATOM 1418 N ALA A 88 7.560 -19.119 -17.383 1.00 75.00 N ATOM 1419 CA ALA A 88 7.116 -19.429 -18.761 1.00 75.00 C ATOM 1420 C ALA A 88 5.642 -18.988 -18.983 1.00 75.00 C ATOM 1421 O ALA A 88 4.731 -19.827 -18.951 1.00 75.00 O ATOM 1422 CB ALA A 88 7.345 -20.917 -19.120 1.00 75.00 C ATOM 0 H ALA A 88 8.412 -18.559 -17.353 1.00 75.00 H new ATOM 0 HA ALA A 88 7.734 -18.851 -19.448 1.00 75.00 H new ATOM 0 HB1 ALA A 88 7.006 -21.102 -20.139 1.00 75.00 H new ATOM 0 HB2 ALA A 88 8.407 -21.151 -19.043 1.00 75.00 H new ATOM 0 HB3 ALA A 88 6.784 -21.548 -18.431 1.00 75.00 H new ATOM 1428 N PRO A 89 5.382 -17.644 -19.120 1.00 75.00 N ATOM 1429 CA PRO A 89 4.027 -17.103 -19.409 1.00 75.00 C ATOM 1430 C PRO A 89 3.548 -17.483 -20.837 1.00 75.00 C ATOM 1431 O PRO A 89 4.048 -16.889 -21.822 1.00 75.00 O ATOM 1432 CB PRO A 89 4.190 -15.558 -19.209 1.00 75.00 C ATOM 1433 CG PRO A 89 5.495 -15.404 -18.475 1.00 75.00 C ATOM 1434 CD PRO A 89 6.362 -16.537 -18.968 1.00 75.00 C ATOM 1435 OXT PRO A 89 2.696 -18.390 -20.976 1.00 75.00 O ATOM 0 HA PRO A 89 3.256 -17.515 -18.758 1.00 75.00 H new ATOM 0 HB2 PRO A 89 4.209 -15.035 -20.165 1.00 75.00 H new ATOM 0 HB3 PRO A 89 3.361 -15.143 -18.635 1.00 75.00 H new ATOM 0 HG2 PRO A 89 5.953 -14.437 -18.685 1.00 75.00 H new ATOM 0 HG3 PRO A 89 5.349 -15.460 -17.396 1.00 75.00 H new ATOM 0 HD2 PRO A 89 6.850 -16.294 -19.912 1.00 75.00 H new ATOM 0 HD3 PRO A 89 7.149 -16.786 -18.256 1.00 75.00 H new TER 1443 PRO A 89