USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 723 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 3 GLN : amide:sc= 2.15 K(o=3.4,f=-5.2!) USER MOD Set 1.2: A 77 SER OG : rot 116:sc= 1.21 USER MOD Set 2.1: A 64 SER OG : rot -61:sc= 1.31 USER MOD Set 2.2: A 67 SER OG : rot -159:sc= 1.37 USER MOD Set 3.1: A 19 TYR OH : rot 49:sc= 0.417 USER MOD Set 3.2: A 90 TYR OH : rot 180:sc= 0.395 USER MOD Single : A 1 MET CE :methyl -178:sc= 0 (180deg=-0.00674) USER MOD Single : A 1 MET N :NH3+ -113:sc= 0.0873 (180deg=0) USER MOD Single : A 4 TYR OH : rot -165:sc= 1.25 USER MOD Single : A 13 GLN : amide:sc= 1.71 K(o=1.7,f=-0.42) USER MOD Single : A 22 GLN : amide:sc= -1.99 X(o=-2,f=-1.9!) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 178:sc= 0.803 (180deg=0.778) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 166:sc= 2.19 (180deg=1.95) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 51 ASN : amide:sc= 0.796 K(o=0.8,f=-3.5!) USER MOD Single : A 54 GLN : amide:sc= -0.185 X(o=-0.19,f=-0.19) USER MOD Single : A 55 SER OG : rot 70:sc= 1.75 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0.772 K(o=0.77,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 83:sc= 1.12 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= 0.339 K(o=0.34,f=-1.6) USER MOD Single : A 84 HIS : no HD1:sc= -0.0133 X(o=-0.013,f=-0.013) USER MOD Single : A 87 SER OG : rot -141:sc= 0.584 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.306 -0.255 0.020 1.00 0.00 N ATOM 2 CA MET A 1 1.299 -0.137 -1.081 1.00 0.00 C ATOM 3 C MET A 1 2.002 -1.482 -1.318 1.00 0.00 C ATOM 4 O MET A 1 1.816 -2.440 -0.563 1.00 0.00 O ATOM 5 CB MET A 1 2.309 1.011 -0.843 1.00 0.00 C ATOM 6 CG MET A 1 1.677 2.390 -1.082 1.00 0.00 C ATOM 7 SD MET A 1 2.869 3.757 -1.122 1.00 0.00 S ATOM 8 CE MET A 1 1.725 5.144 -1.368 1.00 0.00 C ATOM 0 H1 MET A 1 -0.654 -0.140 -0.364 1.00 0.00 H new ATOM 0 H2 MET A 1 0.391 -1.191 0.465 1.00 0.00 H new ATOM 0 H3 MET A 1 0.485 0.484 0.730 1.00 0.00 H new ATOM 0 HA MET A 1 0.756 0.125 -1.989 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.686 0.957 0.178 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.165 0.884 -1.506 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.133 2.369 -2.026 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.946 2.583 -0.297 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.291 6.072 -1.453 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.151 4.985 -2.281 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.045 5.210 -0.519 1.00 0.00 H new ATOM 20 N LEU A 2 2.796 -1.567 -2.388 1.00 0.00 N ATOM 21 CA LEU A 2 3.455 -2.773 -2.883 1.00 0.00 C ATOM 22 C LEU A 2 4.906 -2.403 -3.222 1.00 0.00 C ATOM 23 O LEU A 2 5.238 -1.216 -3.294 1.00 0.00 O ATOM 24 CB LEU A 2 2.647 -3.255 -4.108 1.00 0.00 C ATOM 25 CG LEU A 2 3.145 -4.517 -4.842 1.00 0.00 C ATOM 26 CD1 LEU A 2 3.144 -5.751 -3.932 1.00 0.00 C ATOM 27 CD2 LEU A 2 2.246 -4.776 -6.056 1.00 0.00 C ATOM 0 H LEU A 2 3.006 -0.750 -2.962 1.00 0.00 H new ATOM 0 HA LEU A 2 3.486 -3.585 -2.157 1.00 0.00 H new ATOM 0 HB2 LEU A 2 1.623 -3.438 -3.784 1.00 0.00 H new ATOM 0 HB3 LEU A 2 2.612 -2.439 -4.830 1.00 0.00 H new ATOM 0 HG LEU A 2 4.174 -4.341 -5.156 1.00 0.00 H new ATOM 0 HD11 LEU A 2 3.502 -6.616 -4.491 1.00 0.00 H new ATOM 0 HD12 LEU A 2 3.799 -5.574 -3.079 1.00 0.00 H new ATOM 0 HD13 LEU A 2 2.131 -5.942 -3.579 1.00 0.00 H new ATOM 0 HD21 LEU A 2 2.591 -5.667 -6.581 1.00 0.00 H new ATOM 0 HD22 LEU A 2 1.219 -4.926 -5.723 1.00 0.00 H new ATOM 0 HD23 LEU A 2 2.288 -3.919 -6.729 1.00 0.00 H new ATOM 39 N GLN A 3 5.769 -3.397 -3.435 1.00 0.00 N ATOM 40 CA GLN A 3 7.161 -3.216 -3.818 1.00 0.00 C ATOM 41 C GLN A 3 7.512 -4.265 -4.878 1.00 0.00 C ATOM 42 O GLN A 3 6.923 -5.351 -4.905 1.00 0.00 O ATOM 43 CB GLN A 3 8.022 -3.312 -2.541 1.00 0.00 C ATOM 44 CG GLN A 3 9.543 -3.158 -2.708 1.00 0.00 C ATOM 45 CD GLN A 3 10.295 -4.494 -2.724 1.00 0.00 C ATOM 46 OE1 GLN A 3 10.033 -5.378 -3.535 1.00 0.00 O ATOM 47 NE2 GLN A 3 11.250 -4.684 -1.831 1.00 0.00 N ATOM 0 H GLN A 3 5.506 -4.378 -3.342 1.00 0.00 H new ATOM 0 HA GLN A 3 7.351 -2.240 -4.265 1.00 0.00 H new ATOM 0 HB2 GLN A 3 7.679 -2.548 -1.844 1.00 0.00 H new ATOM 0 HB3 GLN A 3 7.829 -4.278 -2.075 1.00 0.00 H new ATOM 0 HG2 GLN A 3 9.746 -2.625 -3.637 1.00 0.00 H new ATOM 0 HG3 GLN A 3 9.929 -2.542 -1.896 1.00 0.00 H new ATOM 0 HE21 GLN A 3 11.470 -3.952 -1.156 1.00 0.00 H new ATOM 0 HE22 GLN A 3 11.767 -5.563 -1.817 1.00 0.00 H new ATOM 56 N TYR A 4 8.465 -3.947 -5.753 1.00 0.00 N ATOM 57 CA TYR A 4 9.122 -4.929 -6.603 1.00 0.00 C ATOM 58 C TYR A 4 10.610 -4.623 -6.742 1.00 0.00 C ATOM 59 O TYR A 4 11.070 -3.517 -6.439 1.00 0.00 O ATOM 60 CB TYR A 4 8.408 -5.081 -7.959 1.00 0.00 C ATOM 61 CG TYR A 4 8.177 -3.868 -8.843 1.00 0.00 C ATOM 62 CD1 TYR A 4 9.215 -2.971 -9.177 1.00 0.00 C ATOM 63 CD2 TYR A 4 6.922 -3.740 -9.470 1.00 0.00 C ATOM 64 CE1 TYR A 4 9.002 -1.961 -10.130 1.00 0.00 C ATOM 65 CE2 TYR A 4 6.709 -2.745 -10.435 1.00 0.00 C ATOM 66 CZ TYR A 4 7.751 -1.857 -10.775 1.00 0.00 C ATOM 67 OH TYR A 4 7.571 -0.925 -11.742 1.00 0.00 O ATOM 0 H TYR A 4 8.802 -2.994 -5.890 1.00 0.00 H new ATOM 0 HA TYR A 4 9.046 -5.902 -6.117 1.00 0.00 H new ATOM 0 HB2 TYR A 4 8.977 -5.803 -8.544 1.00 0.00 H new ATOM 0 HB3 TYR A 4 7.433 -5.527 -7.762 1.00 0.00 H new ATOM 0 HD1 TYR A 4 10.178 -3.062 -8.697 1.00 0.00 H new ATOM 0 HD2 TYR A 4 6.119 -4.412 -9.206 1.00 0.00 H new ATOM 0 HE1 TYR A 4 9.794 -1.266 -10.368 1.00 0.00 H new ATOM 0 HE2 TYR A 4 5.747 -2.659 -10.918 1.00 0.00 H new ATOM 0 HH TYR A 4 6.613 -0.816 -11.917 1.00 0.00 H new ATOM 77 N ARG A 5 11.345 -5.599 -7.273 1.00 0.00 N ATOM 78 CA ARG A 5 12.724 -5.488 -7.726 1.00 0.00 C ATOM 79 C ARG A 5 12.723 -6.008 -9.159 1.00 0.00 C ATOM 80 O ARG A 5 12.095 -7.033 -9.430 1.00 0.00 O ATOM 81 CB ARG A 5 13.626 -6.315 -6.795 1.00 0.00 C ATOM 82 CG ARG A 5 15.130 -6.190 -7.098 1.00 0.00 C ATOM 83 CD ARG A 5 15.907 -7.082 -6.117 1.00 0.00 C ATOM 84 NE ARG A 5 17.352 -7.093 -6.403 1.00 0.00 N ATOM 85 CZ ARG A 5 18.164 -8.155 -6.428 1.00 0.00 C ATOM 86 NH1 ARG A 5 17.724 -9.370 -6.106 1.00 0.00 N ATOM 87 NH2 ARG A 5 19.431 -7.987 -6.786 1.00 0.00 N ATOM 0 H ARG A 5 10.970 -6.539 -7.404 1.00 0.00 H new ATOM 0 HA ARG A 5 13.110 -4.469 -7.701 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.447 -6.005 -5.765 1.00 0.00 H new ATOM 0 HB3 ARG A 5 13.338 -7.364 -6.867 1.00 0.00 H new ATOM 0 HG2 ARG A 5 15.335 -6.491 -8.125 1.00 0.00 H new ATOM 0 HG3 ARG A 5 15.450 -5.153 -7.000 1.00 0.00 H new ATOM 0 HD2 ARG A 5 15.742 -6.730 -5.099 1.00 0.00 H new ATOM 0 HD3 ARG A 5 15.520 -8.100 -6.169 1.00 0.00 H new ATOM 0 HE ARG A 5 17.781 -6.190 -6.604 1.00 0.00 H new ATOM 0 HH11 ARG A 5 16.750 -9.504 -5.834 1.00 0.00 H new ATOM 0 HH12 ARG A 5 18.361 -10.166 -6.132 1.00 0.00 H new ATOM 0 HH21 ARG A 5 19.771 -7.059 -7.037 1.00 0.00 H new ATOM 0 HH22 ARG A 5 20.064 -8.786 -6.811 1.00 0.00 H new ATOM 101 N ILE A 6 13.380 -5.305 -10.075 1.00 0.00 N ATOM 102 CA ILE A 6 13.417 -5.626 -11.496 1.00 0.00 C ATOM 103 C ILE A 6 14.879 -5.537 -11.922 1.00 0.00 C ATOM 104 O ILE A 6 15.598 -4.640 -11.478 1.00 0.00 O ATOM 105 CB ILE A 6 12.478 -4.685 -12.301 1.00 0.00 C ATOM 106 CG1 ILE A 6 11.019 -4.873 -11.822 1.00 0.00 C ATOM 107 CG2 ILE A 6 12.588 -4.920 -13.821 1.00 0.00 C ATOM 108 CD1 ILE A 6 9.941 -4.105 -12.597 1.00 0.00 C ATOM 0 H ILE A 6 13.918 -4.470 -9.841 1.00 0.00 H new ATOM 0 HA ILE A 6 13.044 -6.630 -11.698 1.00 0.00 H new ATOM 0 HB ILE A 6 12.791 -3.657 -12.116 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.779 -5.935 -11.866 1.00 0.00 H new ATOM 0 HG13 ILE A 6 10.963 -4.577 -10.775 1.00 0.00 H new ATOM 0 HG21 ILE A 6 11.915 -4.241 -14.344 1.00 0.00 H new ATOM 0 HG22 ILE A 6 13.612 -4.736 -14.144 1.00 0.00 H new ATOM 0 HG23 ILE A 6 12.315 -5.950 -14.051 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.962 -4.318 -12.167 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.140 -3.035 -12.534 1.00 0.00 H new ATOM 0 HD13 ILE A 6 9.954 -4.415 -13.642 1.00 0.00 H new ATOM 120 N ILE A 7 15.314 -6.438 -12.799 1.00 0.00 N ATOM 121 CA ILE A 7 16.645 -6.436 -13.392 1.00 0.00 C ATOM 122 C ILE A 7 16.420 -6.367 -14.902 1.00 0.00 C ATOM 123 O ILE A 7 15.490 -6.996 -15.409 1.00 0.00 O ATOM 124 CB ILE A 7 17.460 -7.699 -13.005 1.00 0.00 C ATOM 125 CG1 ILE A 7 17.239 -8.254 -11.576 1.00 0.00 C ATOM 126 CG2 ILE A 7 18.953 -7.434 -13.244 1.00 0.00 C ATOM 127 CD1 ILE A 7 17.719 -7.359 -10.427 1.00 0.00 C ATOM 0 H ILE A 7 14.733 -7.210 -13.125 1.00 0.00 H new ATOM 0 HA ILE A 7 17.232 -5.592 -13.028 1.00 0.00 H new ATOM 0 HB ILE A 7 17.078 -8.487 -13.654 1.00 0.00 H new ATOM 0 HG12 ILE A 7 16.174 -8.444 -11.442 1.00 0.00 H new ATOM 0 HG13 ILE A 7 17.747 -9.215 -11.498 1.00 0.00 H new ATOM 0 HG21 ILE A 7 19.528 -8.320 -12.973 1.00 0.00 H new ATOM 0 HG22 ILE A 7 19.118 -7.203 -14.296 1.00 0.00 H new ATOM 0 HG23 ILE A 7 19.275 -6.591 -12.633 1.00 0.00 H new ATOM 0 HD11 ILE A 7 17.513 -7.848 -9.475 1.00 0.00 H new ATOM 0 HD12 ILE A 7 18.791 -7.188 -10.523 1.00 0.00 H new ATOM 0 HD13 ILE A 7 17.194 -6.404 -10.466 1.00 0.00 H new ATOM 139 N VAL A 8 17.268 -5.633 -15.620 1.00 0.00 N ATOM 140 CA VAL A 8 17.163 -5.434 -17.057 1.00 0.00 C ATOM 141 C VAL A 8 18.550 -5.712 -17.635 1.00 0.00 C ATOM 142 O VAL A 8 19.538 -5.093 -17.228 1.00 0.00 O ATOM 143 CB VAL A 8 16.637 -4.012 -17.368 1.00 0.00 C ATOM 144 CG1 VAL A 8 16.345 -3.851 -18.867 1.00 0.00 C ATOM 145 CG2 VAL A 8 15.334 -3.688 -16.611 1.00 0.00 C ATOM 0 H VAL A 8 18.065 -5.150 -15.205 1.00 0.00 H new ATOM 0 HA VAL A 8 16.442 -6.110 -17.517 1.00 0.00 H new ATOM 0 HB VAL A 8 17.424 -3.329 -17.047 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.977 -2.843 -19.060 1.00 0.00 H new ATOM 0 HG12 VAL A 8 17.260 -4.018 -19.436 1.00 0.00 H new ATOM 0 HG13 VAL A 8 15.591 -4.577 -19.171 1.00 0.00 H new ATOM 0 HG21 VAL A 8 15.007 -2.679 -16.864 1.00 0.00 H new ATOM 0 HG22 VAL A 8 14.561 -4.402 -16.895 1.00 0.00 H new ATOM 0 HG23 VAL A 8 15.511 -3.753 -15.537 1.00 0.00 H new ATOM 155 N ASP A 9 18.621 -6.677 -18.549 1.00 0.00 N ATOM 156 CA ASP A 9 19.802 -7.046 -19.321 1.00 0.00 C ATOM 157 C ASP A 9 19.663 -6.393 -20.693 1.00 0.00 C ATOM 158 O ASP A 9 18.573 -6.421 -21.269 1.00 0.00 O ATOM 159 CB ASP A 9 19.843 -8.569 -19.487 1.00 0.00 C ATOM 160 CG ASP A 9 20.909 -9.008 -20.502 1.00 0.00 C ATOM 161 OD1 ASP A 9 22.098 -8.672 -20.310 1.00 0.00 O ATOM 162 OD2 ASP A 9 20.560 -9.718 -21.473 1.00 0.00 O ATOM 0 H ASP A 9 17.812 -7.253 -18.782 1.00 0.00 H new ATOM 0 HA ASP A 9 20.714 -6.720 -18.822 1.00 0.00 H new ATOM 0 HB2 ASP A 9 20.048 -9.034 -18.522 1.00 0.00 H new ATOM 0 HB3 ASP A 9 18.865 -8.925 -19.811 1.00 0.00 H new ATOM 167 N GLY A 10 20.730 -5.791 -21.221 1.00 0.00 N ATOM 168 CA GLY A 10 20.670 -5.134 -22.515 1.00 0.00 C ATOM 169 C GLY A 10 21.820 -4.171 -22.745 1.00 0.00 C ATOM 170 O GLY A 10 22.717 -4.033 -21.908 1.00 0.00 O ATOM 0 H GLY A 10 21.643 -5.748 -20.768 1.00 0.00 H new ATOM 0 HA2 GLY A 10 20.674 -5.890 -23.300 1.00 0.00 H new ATOM 0 HA3 GLY A 10 19.728 -4.592 -22.598 1.00 0.00 H new ATOM 174 N ARG A 11 21.755 -3.450 -23.865 1.00 0.00 N ATOM 175 CA ARG A 11 22.407 -2.149 -23.981 1.00 0.00 C ATOM 176 C ARG A 11 21.600 -1.222 -23.079 1.00 0.00 C ATOM 177 O ARG A 11 20.511 -0.825 -23.489 1.00 0.00 O ATOM 178 CB ARG A 11 22.400 -1.681 -25.453 1.00 0.00 C ATOM 179 CG ARG A 11 23.126 -0.342 -25.663 1.00 0.00 C ATOM 180 CD ARG A 11 22.866 0.205 -27.074 1.00 0.00 C ATOM 181 NE ARG A 11 23.826 1.266 -27.432 1.00 0.00 N ATOM 182 CZ ARG A 11 23.574 2.396 -28.111 1.00 0.00 C ATOM 183 NH1 ARG A 11 22.331 2.781 -28.390 1.00 0.00 N ATOM 184 NH2 ARG A 11 24.591 3.149 -28.515 1.00 0.00 N ATOM 0 H ARG A 11 21.257 -3.747 -24.704 1.00 0.00 H new ATOM 0 HA ARG A 11 23.454 -2.170 -23.680 1.00 0.00 H new ATOM 0 HB2 ARG A 11 22.871 -2.444 -26.073 1.00 0.00 H new ATOM 0 HB3 ARG A 11 21.369 -1.586 -25.793 1.00 0.00 H new ATOM 0 HG2 ARG A 11 22.788 0.380 -24.920 1.00 0.00 H new ATOM 0 HG3 ARG A 11 24.197 -0.477 -25.512 1.00 0.00 H new ATOM 0 HD2 ARG A 11 22.934 -0.607 -27.798 1.00 0.00 H new ATOM 0 HD3 ARG A 11 21.851 0.598 -27.131 1.00 0.00 H new ATOM 0 HE ARG A 11 24.790 1.125 -27.130 1.00 0.00 H new ATOM 0 HH11 ARG A 11 21.541 2.212 -28.086 1.00 0.00 H new ATOM 0 HH12 ARG A 11 22.169 3.645 -28.908 1.00 0.00 H new ATOM 0 HH21 ARG A 11 25.549 2.866 -28.308 1.00 0.00 H new ATOM 0 HH22 ARG A 11 24.414 4.010 -29.032 1.00 0.00 H new ATOM 198 N VAL A 12 22.082 -0.930 -21.868 1.00 0.00 N ATOM 199 CA VAL A 12 21.377 -0.074 -20.904 1.00 0.00 C ATOM 200 C VAL A 12 22.327 0.843 -20.112 1.00 0.00 C ATOM 201 O VAL A 12 21.925 1.941 -19.727 1.00 0.00 O ATOM 202 CB VAL A 12 20.489 -0.919 -19.954 1.00 0.00 C ATOM 203 CG1 VAL A 12 19.202 -1.409 -20.633 1.00 0.00 C ATOM 204 CG2 VAL A 12 21.196 -2.135 -19.331 1.00 0.00 C ATOM 0 H VAL A 12 22.976 -1.281 -21.525 1.00 0.00 H new ATOM 0 HA VAL A 12 20.730 0.583 -21.485 1.00 0.00 H new ATOM 0 HB VAL A 12 20.249 -0.222 -19.151 1.00 0.00 H new ATOM 0 HG11 VAL A 12 18.617 -1.995 -19.924 1.00 0.00 H new ATOM 0 HG12 VAL A 12 18.617 -0.552 -20.965 1.00 0.00 H new ATOM 0 HG13 VAL A 12 19.457 -2.029 -21.493 1.00 0.00 H new ATOM 0 HG21 VAL A 12 20.501 -2.667 -18.682 1.00 0.00 H new ATOM 0 HG22 VAL A 12 21.537 -2.803 -20.122 1.00 0.00 H new ATOM 0 HG23 VAL A 12 22.052 -1.798 -18.747 1.00 0.00 H new ATOM 214 N GLN A 13 23.588 0.453 -19.878 1.00 0.00 N ATOM 215 CA GLN A 13 24.452 1.199 -18.956 1.00 0.00 C ATOM 216 C GLN A 13 25.030 2.445 -19.626 1.00 0.00 C ATOM 217 O GLN A 13 24.895 3.545 -19.085 1.00 0.00 O ATOM 218 CB GLN A 13 25.586 0.320 -18.401 1.00 0.00 C ATOM 219 CG GLN A 13 25.082 -0.790 -17.462 1.00 0.00 C ATOM 220 CD GLN A 13 26.204 -1.476 -16.671 1.00 0.00 C ATOM 221 OE1 GLN A 13 27.396 -1.284 -16.906 1.00 0.00 O ATOM 222 NE2 GLN A 13 25.841 -2.277 -15.684 1.00 0.00 N ATOM 0 H GLN A 13 24.026 -0.362 -20.307 1.00 0.00 H new ATOM 0 HA GLN A 13 23.828 1.512 -18.119 1.00 0.00 H new ATOM 0 HB2 GLN A 13 26.127 -0.133 -19.232 1.00 0.00 H new ATOM 0 HB3 GLN A 13 26.296 0.949 -17.863 1.00 0.00 H new ATOM 0 HG2 GLN A 13 24.362 -0.365 -16.763 1.00 0.00 H new ATOM 0 HG3 GLN A 13 24.551 -1.539 -18.049 1.00 0.00 H new ATOM 0 HE21 GLN A 13 24.852 -2.434 -15.492 1.00 0.00 H new ATOM 0 HE22 GLN A 13 26.550 -2.738 -15.114 1.00 0.00 H new ATOM 231 N GLY A 14 25.646 2.296 -20.804 1.00 0.00 N ATOM 232 CA GLY A 14 26.321 3.397 -21.490 1.00 0.00 C ATOM 233 C GLY A 14 25.328 4.429 -22.021 1.00 0.00 C ATOM 234 O GLY A 14 25.616 5.627 -22.030 1.00 0.00 O ATOM 0 H GLY A 14 25.689 1.409 -21.306 1.00 0.00 H new ATOM 0 HA2 GLY A 14 27.016 3.881 -20.804 1.00 0.00 H new ATOM 0 HA3 GLY A 14 26.912 3.002 -22.317 1.00 0.00 H new ATOM 238 N VAL A 15 24.134 3.974 -22.407 1.00 0.00 N ATOM 239 CA VAL A 15 23.019 4.822 -22.829 1.00 0.00 C ATOM 240 C VAL A 15 22.359 5.548 -21.642 1.00 0.00 C ATOM 241 O VAL A 15 21.504 6.409 -21.856 1.00 0.00 O ATOM 242 CB VAL A 15 22.011 3.989 -23.646 1.00 0.00 C ATOM 243 CG1 VAL A 15 22.638 3.538 -24.972 1.00 0.00 C ATOM 244 CG2 VAL A 15 21.510 2.749 -22.894 1.00 0.00 C ATOM 0 H VAL A 15 23.911 2.979 -22.435 1.00 0.00 H new ATOM 0 HA VAL A 15 23.408 5.611 -23.473 1.00 0.00 H new ATOM 0 HB VAL A 15 21.157 4.641 -23.827 1.00 0.00 H new ATOM 0 HG11 VAL A 15 21.913 2.951 -25.536 1.00 0.00 H new ATOM 0 HG12 VAL A 15 22.928 4.413 -25.554 1.00 0.00 H new ATOM 0 HG13 VAL A 15 23.519 2.929 -24.769 1.00 0.00 H new ATOM 0 HG21 VAL A 15 20.804 2.204 -23.521 1.00 0.00 H new ATOM 0 HG22 VAL A 15 22.355 2.103 -22.653 1.00 0.00 H new ATOM 0 HG23 VAL A 15 21.015 3.057 -21.973 1.00 0.00 H new ATOM 254 N GLY A 16 22.752 5.242 -20.398 1.00 0.00 N ATOM 255 CA GLY A 16 22.279 5.952 -19.220 1.00 0.00 C ATOM 256 C GLY A 16 20.822 5.634 -18.900 1.00 0.00 C ATOM 257 O GLY A 16 20.103 6.519 -18.440 1.00 0.00 O ATOM 0 H GLY A 16 23.410 4.491 -20.188 1.00 0.00 H new ATOM 0 HA2 GLY A 16 22.902 5.689 -18.365 1.00 0.00 H new ATOM 0 HA3 GLY A 16 22.389 7.025 -19.377 1.00 0.00 H new ATOM 261 N PHE A 17 20.373 4.393 -19.132 1.00 0.00 N ATOM 262 CA PHE A 17 18.994 3.969 -18.877 1.00 0.00 C ATOM 263 C PHE A 17 18.533 4.365 -17.470 1.00 0.00 C ATOM 264 O PHE A 17 17.416 4.850 -17.306 1.00 0.00 O ATOM 265 CB PHE A 17 18.883 2.454 -19.096 1.00 0.00 C ATOM 266 CG PHE A 17 17.549 1.814 -18.751 1.00 0.00 C ATOM 267 CD1 PHE A 17 16.332 2.409 -19.139 1.00 0.00 C ATOM 268 CD2 PHE A 17 17.528 0.601 -18.036 1.00 0.00 C ATOM 269 CE1 PHE A 17 15.108 1.791 -18.823 1.00 0.00 C ATOM 270 CE2 PHE A 17 16.309 -0.020 -17.729 1.00 0.00 C ATOM 271 CZ PHE A 17 15.098 0.566 -18.131 1.00 0.00 C ATOM 0 H PHE A 17 20.964 3.650 -19.505 1.00 0.00 H new ATOM 0 HA PHE A 17 18.333 4.480 -19.577 1.00 0.00 H new ATOM 0 HB2 PHE A 17 19.101 2.244 -20.143 1.00 0.00 H new ATOM 0 HB3 PHE A 17 19.658 1.966 -18.505 1.00 0.00 H new ATOM 0 HD1 PHE A 17 16.339 3.343 -19.681 1.00 0.00 H new ATOM 0 HD2 PHE A 17 18.456 0.146 -17.722 1.00 0.00 H new ATOM 0 HE1 PHE A 17 14.177 2.257 -19.111 1.00 0.00 H new ATOM 0 HE2 PHE A 17 16.301 -0.951 -17.182 1.00 0.00 H new ATOM 0 HZ PHE A 17 14.161 0.077 -17.909 1.00 0.00 H new ATOM 281 N ARG A 18 19.412 4.251 -16.468 1.00 0.00 N ATOM 282 CA ARG A 18 19.131 4.649 -15.085 1.00 0.00 C ATOM 283 C ARG A 18 18.555 6.063 -14.953 1.00 0.00 C ATOM 284 O ARG A 18 17.723 6.276 -14.076 1.00 0.00 O ATOM 285 CB ARG A 18 20.388 4.451 -14.212 1.00 0.00 C ATOM 286 CG ARG A 18 21.539 5.399 -14.591 1.00 0.00 C ATOM 287 CD ARG A 18 22.877 4.970 -13.978 1.00 0.00 C ATOM 288 NE ARG A 18 23.983 5.754 -14.555 1.00 0.00 N ATOM 289 CZ ARG A 18 24.608 5.519 -15.716 1.00 0.00 C ATOM 290 NH1 ARG A 18 24.356 4.413 -16.415 1.00 0.00 N ATOM 291 NH2 ARG A 18 25.477 6.410 -16.179 1.00 0.00 N ATOM 0 H ARG A 18 20.351 3.875 -16.597 1.00 0.00 H new ATOM 0 HA ARG A 18 18.341 3.993 -14.720 1.00 0.00 H new ATOM 0 HB2 ARG A 18 20.125 4.608 -13.166 1.00 0.00 H new ATOM 0 HB3 ARG A 18 20.729 3.420 -14.304 1.00 0.00 H new ATOM 0 HG2 ARG A 18 21.635 5.434 -15.676 1.00 0.00 H new ATOM 0 HG3 ARG A 18 21.298 6.409 -14.259 1.00 0.00 H new ATOM 0 HD2 ARG A 18 22.850 5.109 -12.897 1.00 0.00 H new ATOM 0 HD3 ARG A 18 23.043 3.908 -14.159 1.00 0.00 H new ATOM 0 HE ARG A 18 24.305 6.557 -14.015 1.00 0.00 H new ATOM 0 HH11 ARG A 18 23.680 3.733 -16.067 1.00 0.00 H new ATOM 0 HH12 ARG A 18 24.839 4.246 -17.298 1.00 0.00 H new ATOM 0 HH21 ARG A 18 25.663 7.263 -15.652 1.00 0.00 H new ATOM 0 HH22 ARG A 18 25.959 6.241 -17.062 1.00 0.00 H new ATOM 305 N TYR A 19 18.940 7.020 -15.800 1.00 0.00 N ATOM 306 CA TYR A 19 18.403 8.377 -15.726 1.00 0.00 C ATOM 307 C TYR A 19 16.952 8.398 -16.218 1.00 0.00 C ATOM 308 O TYR A 19 16.100 9.024 -15.589 1.00 0.00 O ATOM 309 CB TYR A 19 19.285 9.345 -16.531 1.00 0.00 C ATOM 310 CG TYR A 19 20.755 9.317 -16.138 1.00 0.00 C ATOM 311 CD1 TYR A 19 21.148 9.666 -14.832 1.00 0.00 C ATOM 312 CD2 TYR A 19 21.729 8.912 -17.070 1.00 0.00 C ATOM 313 CE1 TYR A 19 22.497 9.571 -14.443 1.00 0.00 C ATOM 314 CE2 TYR A 19 23.080 8.813 -16.691 1.00 0.00 C ATOM 315 CZ TYR A 19 23.470 9.132 -15.371 1.00 0.00 C ATOM 316 OH TYR A 19 24.779 9.005 -15.008 1.00 0.00 O ATOM 0 H TYR A 19 19.622 6.878 -16.545 1.00 0.00 H new ATOM 0 HA TYR A 19 18.410 8.708 -14.687 1.00 0.00 H new ATOM 0 HB2 TYR A 19 19.198 9.103 -17.590 1.00 0.00 H new ATOM 0 HB3 TYR A 19 18.905 10.358 -16.403 1.00 0.00 H new ATOM 0 HD1 TYR A 19 20.409 10.009 -14.123 1.00 0.00 H new ATOM 0 HD2 TYR A 19 21.437 8.676 -18.083 1.00 0.00 H new ATOM 0 HE1 TYR A 19 22.789 9.833 -13.437 1.00 0.00 H new ATOM 0 HE2 TYR A 19 23.820 8.493 -17.410 1.00 0.00 H new ATOM 0 HH TYR A 19 24.839 8.502 -14.169 1.00 0.00 H new ATOM 326 N PHE A 20 16.641 7.668 -17.293 1.00 0.00 N ATOM 327 CA PHE A 20 15.275 7.525 -17.781 1.00 0.00 C ATOM 328 C PHE A 20 14.417 6.867 -16.700 1.00 0.00 C ATOM 329 O PHE A 20 13.347 7.377 -16.374 1.00 0.00 O ATOM 330 CB PHE A 20 15.229 6.720 -19.092 1.00 0.00 C ATOM 331 CG PHE A 20 15.929 7.388 -20.264 1.00 0.00 C ATOM 332 CD1 PHE A 20 17.328 7.293 -20.405 1.00 0.00 C ATOM 333 CD2 PHE A 20 15.186 8.112 -21.217 1.00 0.00 C ATOM 334 CE1 PHE A 20 17.979 7.916 -21.483 1.00 0.00 C ATOM 335 CE2 PHE A 20 15.836 8.734 -22.298 1.00 0.00 C ATOM 336 CZ PHE A 20 17.233 8.639 -22.430 1.00 0.00 C ATOM 0 H PHE A 20 17.332 7.161 -17.846 1.00 0.00 H new ATOM 0 HA PHE A 20 14.875 8.515 -18.001 1.00 0.00 H new ATOM 0 HB2 PHE A 20 15.684 5.744 -18.921 1.00 0.00 H new ATOM 0 HB3 PHE A 20 14.187 6.544 -19.359 1.00 0.00 H new ATOM 0 HD1 PHE A 20 17.904 6.737 -19.679 1.00 0.00 H new ATOM 0 HD2 PHE A 20 14.113 8.190 -21.117 1.00 0.00 H new ATOM 0 HE1 PHE A 20 19.052 7.839 -21.584 1.00 0.00 H new ATOM 0 HE2 PHE A 20 15.262 9.285 -23.028 1.00 0.00 H new ATOM 0 HZ PHE A 20 17.732 9.121 -23.258 1.00 0.00 H new ATOM 346 N VAL A 21 14.912 5.786 -16.088 1.00 0.00 N ATOM 347 CA VAL A 21 14.238 5.112 -14.983 1.00 0.00 C ATOM 348 C VAL A 21 14.009 6.100 -13.830 1.00 0.00 C ATOM 349 O VAL A 21 12.909 6.138 -13.281 1.00 0.00 O ATOM 350 CB VAL A 21 15.058 3.879 -14.552 1.00 0.00 C ATOM 351 CG1 VAL A 21 14.427 3.142 -13.371 1.00 0.00 C ATOM 352 CG2 VAL A 21 15.190 2.850 -15.681 1.00 0.00 C ATOM 0 H VAL A 21 15.798 5.354 -16.350 1.00 0.00 H new ATOM 0 HA VAL A 21 13.257 4.757 -15.300 1.00 0.00 H new ATOM 0 HB VAL A 21 16.033 4.281 -14.276 1.00 0.00 H new ATOM 0 HG11 VAL A 21 15.043 2.282 -13.107 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.359 3.815 -12.517 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.429 2.802 -13.646 1.00 0.00 H new ATOM 0 HG21 VAL A 21 15.775 1.999 -15.331 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.199 2.510 -15.981 1.00 0.00 H new ATOM 0 HG23 VAL A 21 15.690 3.308 -16.534 1.00 0.00 H new ATOM 362 N GLN A 22 15.008 6.923 -13.482 1.00 0.00 N ATOM 363 CA GLN A 22 14.891 7.901 -12.409 1.00 0.00 C ATOM 364 C GLN A 22 13.715 8.839 -12.670 1.00 0.00 C ATOM 365 O GLN A 22 12.878 9.046 -11.791 1.00 0.00 O ATOM 366 CB GLN A 22 16.208 8.694 -12.264 1.00 0.00 C ATOM 367 CG GLN A 22 16.249 9.579 -11.003 1.00 0.00 C ATOM 368 CD GLN A 22 16.315 8.793 -9.697 1.00 0.00 C ATOM 369 OE1 GLN A 22 15.965 9.295 -8.638 1.00 0.00 O ATOM 370 NE2 GLN A 22 16.744 7.542 -9.746 1.00 0.00 N ATOM 0 H GLN A 22 15.918 6.924 -13.942 1.00 0.00 H new ATOM 0 HA GLN A 22 14.703 7.376 -11.473 1.00 0.00 H new ATOM 0 HB2 GLN A 22 17.044 7.995 -12.237 1.00 0.00 H new ATOM 0 HB3 GLN A 22 16.346 9.321 -13.145 1.00 0.00 H new ATOM 0 HG2 GLN A 22 17.114 10.239 -11.062 1.00 0.00 H new ATOM 0 HG3 GLN A 22 15.364 10.215 -10.988 1.00 0.00 H new ATOM 0 HE21 GLN A 22 17.033 7.136 -10.636 1.00 0.00 H new ATOM 0 HE22 GLN A 22 16.786 6.983 -8.894 1.00 0.00 H new ATOM 379 N MET A 23 13.651 9.398 -13.877 1.00 0.00 N ATOM 380 CA MET A 23 12.650 10.398 -14.216 1.00 0.00 C ATOM 381 C MET A 23 11.262 9.759 -14.304 1.00 0.00 C ATOM 382 O MET A 23 10.286 10.354 -13.845 1.00 0.00 O ATOM 383 CB MET A 23 13.058 11.089 -15.522 1.00 0.00 C ATOM 384 CG MET A 23 14.383 11.846 -15.339 1.00 0.00 C ATOM 385 SD MET A 23 15.064 12.532 -16.873 1.00 0.00 S ATOM 386 CE MET A 23 16.657 13.130 -16.245 1.00 0.00 C ATOM 0 H MET A 23 14.288 9.170 -14.640 1.00 0.00 H new ATOM 0 HA MET A 23 12.595 11.155 -13.433 1.00 0.00 H new ATOM 0 HB2 MET A 23 13.162 10.349 -16.315 1.00 0.00 H new ATOM 0 HB3 MET A 23 12.276 11.782 -15.833 1.00 0.00 H new ATOM 0 HG2 MET A 23 14.230 12.658 -14.628 1.00 0.00 H new ATOM 0 HG3 MET A 23 15.117 11.171 -14.899 1.00 0.00 H new ATOM 0 HE1 MET A 23 17.220 13.588 -17.058 1.00 0.00 H new ATOM 0 HE2 MET A 23 16.485 13.868 -15.461 1.00 0.00 H new ATOM 0 HE3 MET A 23 17.225 12.293 -15.837 1.00 0.00 H new ATOM 396 N GLU A 24 11.162 8.537 -14.833 1.00 0.00 N ATOM 397 CA GLU A 24 9.894 7.824 -14.939 1.00 0.00 C ATOM 398 C GLU A 24 9.363 7.408 -13.562 1.00 0.00 C ATOM 399 O GLU A 24 8.147 7.415 -13.360 1.00 0.00 O ATOM 400 CB GLU A 24 10.039 6.612 -15.879 1.00 0.00 C ATOM 401 CG GLU A 24 10.175 7.013 -17.359 1.00 0.00 C ATOM 402 CD GLU A 24 8.909 7.706 -17.884 1.00 0.00 C ATOM 403 OE1 GLU A 24 7.951 7.015 -18.300 1.00 0.00 O ATOM 404 OE2 GLU A 24 8.826 8.953 -17.836 1.00 0.00 O ATOM 0 H GLU A 24 11.960 8.017 -15.199 1.00 0.00 H new ATOM 0 HA GLU A 24 9.158 8.503 -15.369 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.913 6.032 -15.583 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.171 5.963 -15.762 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.029 7.680 -17.477 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.378 6.125 -17.958 1.00 0.00 H new ATOM 411 N ALA A 25 10.238 7.096 -12.601 1.00 0.00 N ATOM 412 CA ALA A 25 9.831 6.837 -11.225 1.00 0.00 C ATOM 413 C ALA A 25 9.354 8.127 -10.561 1.00 0.00 C ATOM 414 O ALA A 25 8.323 8.135 -9.886 1.00 0.00 O ATOM 415 CB ALA A 25 11.013 6.276 -10.434 1.00 0.00 C ATOM 0 H ALA A 25 11.243 7.017 -12.758 1.00 0.00 H new ATOM 0 HA ALA A 25 9.015 6.114 -11.234 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.705 6.084 -9.406 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.349 5.346 -10.892 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.830 6.998 -10.439 1.00 0.00 H new ATOM 421 N ASP A 26 10.108 9.215 -10.750 1.00 0.00 N ATOM 422 CA ASP A 26 9.855 10.500 -10.108 1.00 0.00 C ATOM 423 C ASP A 26 8.524 11.093 -10.559 1.00 0.00 C ATOM 424 O ASP A 26 7.723 11.497 -9.715 1.00 0.00 O ATOM 425 CB ASP A 26 10.993 11.482 -10.405 1.00 0.00 C ATOM 426 CG ASP A 26 10.688 12.860 -9.796 1.00 0.00 C ATOM 427 OD1 ASP A 26 10.829 13.024 -8.563 1.00 0.00 O ATOM 428 OD2 ASP A 26 10.330 13.793 -10.548 1.00 0.00 O ATOM 0 H ASP A 26 10.923 9.223 -11.364 1.00 0.00 H new ATOM 0 HA ASP A 26 9.805 10.328 -9.033 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.928 11.097 -9.999 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.128 11.576 -11.482 1.00 0.00 H new ATOM 433 N LYS A 27 8.226 11.079 -11.867 1.00 0.00 N ATOM 434 CA LYS A 27 6.944 11.581 -12.367 1.00 0.00 C ATOM 435 C LYS A 27 5.761 10.753 -11.860 1.00 0.00 C ATOM 436 O LYS A 27 4.640 11.258 -11.832 1.00 0.00 O ATOM 437 CB LYS A 27 6.966 11.758 -13.900 1.00 0.00 C ATOM 438 CG LYS A 27 7.000 10.475 -14.749 1.00 0.00 C ATOM 439 CD LYS A 27 5.613 9.878 -15.056 1.00 0.00 C ATOM 440 CE LYS A 27 5.703 8.618 -15.930 1.00 0.00 C ATOM 441 NZ LYS A 27 6.109 8.910 -17.326 1.00 0.00 N ATOM 0 H LYS A 27 8.853 10.727 -12.591 1.00 0.00 H new ATOM 0 HA LYS A 27 6.793 12.577 -11.952 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.085 12.332 -14.188 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.837 12.360 -14.159 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.506 10.690 -15.690 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.598 9.726 -14.230 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.110 9.634 -14.121 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.002 10.626 -15.561 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.418 7.925 -15.487 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.735 8.117 -15.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.186 8.020 -17.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.397 9.521 -17.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.030 9.394 -17.326 1.00 0.00 H new ATOM 455 N ARG A 28 5.992 9.501 -11.438 1.00 0.00 N ATOM 456 CA ARG A 28 4.970 8.625 -10.859 1.00 0.00 C ATOM 457 C ARG A 28 5.062 8.594 -9.324 1.00 0.00 C ATOM 458 O ARG A 28 4.366 7.795 -8.697 1.00 0.00 O ATOM 459 CB ARG A 28 5.084 7.220 -11.494 1.00 0.00 C ATOM 460 CG ARG A 28 3.731 6.588 -11.843 1.00 0.00 C ATOM 461 CD ARG A 28 3.042 7.256 -13.043 1.00 0.00 C ATOM 462 NE ARG A 28 1.870 6.484 -13.496 1.00 0.00 N ATOM 463 CZ ARG A 28 0.691 6.353 -12.872 1.00 0.00 C ATOM 464 NH1 ARG A 28 0.402 7.058 -11.780 1.00 0.00 N ATOM 465 NH2 ARG A 28 -0.192 5.485 -13.342 1.00 0.00 N ATOM 0 H ARG A 28 6.912 9.064 -11.492 1.00 0.00 H new ATOM 0 HA ARG A 28 3.980 9.019 -11.088 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.687 7.288 -12.399 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.615 6.562 -10.806 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.877 5.530 -12.059 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.074 6.649 -10.975 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.731 8.264 -12.769 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.753 7.354 -13.863 1.00 0.00 H new ATOM 0 HE ARG A 28 1.968 5.994 -14.385 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.085 7.715 -11.401 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.502 6.941 -11.322 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.030 4.928 -14.167 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.094 5.373 -12.879 1.00 0.00 H new ATOM 479 N LYS A 29 5.887 9.460 -8.718 1.00 0.00 N ATOM 480 CA LYS A 29 6.112 9.594 -7.276 1.00 0.00 C ATOM 481 C LYS A 29 6.390 8.253 -6.581 1.00 0.00 C ATOM 482 O LYS A 29 5.974 8.046 -5.438 1.00 0.00 O ATOM 483 CB LYS A 29 4.972 10.411 -6.634 1.00 0.00 C ATOM 484 CG LYS A 29 4.831 11.814 -7.252 1.00 0.00 C ATOM 485 CD LYS A 29 3.726 12.614 -6.551 1.00 0.00 C ATOM 486 CE LYS A 29 3.607 14.009 -7.178 1.00 0.00 C ATOM 487 NZ LYS A 29 2.548 14.827 -6.533 1.00 0.00 N ATOM 0 H LYS A 29 6.446 10.123 -9.255 1.00 0.00 H new ATOM 0 HA LYS A 29 7.033 10.157 -7.127 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.032 9.871 -6.750 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.156 10.506 -5.564 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.778 12.348 -7.172 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.603 11.726 -8.314 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.776 12.087 -6.635 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.949 12.702 -5.488 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.563 14.525 -7.095 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.390 13.910 -8.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.504 15.761 -6.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.630 14.349 -6.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.767 14.945 -5.523 1.00 0.00 H new ATOM 501 N LEU A 30 7.082 7.330 -7.258 1.00 0.00 N ATOM 502 CA LEU A 30 7.576 6.104 -6.627 1.00 0.00 C ATOM 503 C LEU A 30 8.765 6.440 -5.719 1.00 0.00 C ATOM 504 O LEU A 30 9.356 7.517 -5.838 1.00 0.00 O ATOM 505 CB LEU A 30 7.975 5.074 -7.699 1.00 0.00 C ATOM 506 CG LEU A 30 6.788 4.555 -8.532 1.00 0.00 C ATOM 507 CD1 LEU A 30 7.298 3.620 -9.623 1.00 0.00 C ATOM 508 CD2 LEU A 30 5.750 3.803 -7.695 1.00 0.00 C ATOM 0 H LEU A 30 7.313 7.411 -8.248 1.00 0.00 H new ATOM 0 HA LEU A 30 6.785 5.665 -6.020 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.707 5.525 -8.368 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.464 4.229 -7.214 1.00 0.00 H new ATOM 0 HG LEU A 30 6.300 5.432 -8.957 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.456 3.254 -10.211 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.987 4.160 -10.272 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.816 2.776 -9.166 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.940 3.463 -8.340 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.220 2.942 -7.219 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.350 4.467 -6.929 1.00 0.00 H new ATOM 520 N ALA A 31 9.148 5.507 -4.843 1.00 0.00 N ATOM 521 CA ALA A 31 10.302 5.638 -3.955 1.00 0.00 C ATOM 522 C ALA A 31 11.114 4.341 -3.992 1.00 0.00 C ATOM 523 O ALA A 31 10.536 3.278 -4.215 1.00 0.00 O ATOM 524 CB ALA A 31 9.822 5.961 -2.536 1.00 0.00 C ATOM 0 H ALA A 31 8.653 4.622 -4.731 1.00 0.00 H new ATOM 0 HA ALA A 31 10.945 6.454 -4.286 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.683 6.059 -1.874 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.263 6.897 -2.545 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.178 5.158 -2.178 1.00 0.00 H new ATOM 530 N GLY A 32 12.438 4.418 -3.828 1.00 0.00 N ATOM 531 CA GLY A 32 13.335 3.290 -4.076 1.00 0.00 C ATOM 532 C GLY A 32 14.617 3.739 -4.782 1.00 0.00 C ATOM 533 O GLY A 32 15.041 4.887 -4.618 1.00 0.00 O ATOM 0 H GLY A 32 12.916 5.265 -3.520 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.588 2.810 -3.131 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.824 2.545 -4.686 1.00 0.00 H new ATOM 537 N TRP A 33 15.241 2.862 -5.573 1.00 0.00 N ATOM 538 CA TRP A 33 16.461 3.183 -6.306 1.00 0.00 C ATOM 539 C TRP A 33 16.506 2.551 -7.695 1.00 0.00 C ATOM 540 O TRP A 33 15.790 1.594 -7.996 1.00 0.00 O ATOM 541 CB TRP A 33 17.710 2.778 -5.501 1.00 0.00 C ATOM 542 CG TRP A 33 17.899 1.327 -5.146 1.00 0.00 C ATOM 543 CD1 TRP A 33 18.299 0.337 -5.983 1.00 0.00 C ATOM 544 CD2 TRP A 33 17.807 0.702 -3.827 1.00 0.00 C ATOM 545 NE1 TRP A 33 18.433 -0.845 -5.284 1.00 0.00 N ATOM 546 CE2 TRP A 33 18.194 -0.666 -3.943 1.00 0.00 C ATOM 547 CE3 TRP A 33 17.474 1.159 -2.534 1.00 0.00 C ATOM 548 CZ2 TRP A 33 18.275 -1.526 -2.840 1.00 0.00 C ATOM 549 CZ3 TRP A 33 17.534 0.302 -1.418 1.00 0.00 C ATOM 550 CH2 TRP A 33 17.939 -1.038 -1.567 1.00 0.00 C ATOM 0 H TRP A 33 14.911 1.908 -5.721 1.00 0.00 H new ATOM 0 HA TRP A 33 16.456 4.264 -6.445 1.00 0.00 H new ATOM 0 HB2 TRP A 33 18.586 3.097 -6.066 1.00 0.00 H new ATOM 0 HB3 TRP A 33 17.704 3.348 -4.572 1.00 0.00 H new ATOM 0 HD1 TRP A 33 18.485 0.456 -7.040 1.00 0.00 H new ATOM 0 HE1 TRP A 33 18.679 -1.739 -5.709 1.00 0.00 H new ATOM 0 HE3 TRP A 33 17.167 2.186 -2.398 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 18.592 -2.551 -2.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 17.267 0.676 -0.440 1.00 0.00 H new ATOM 0 HH2 TRP A 33 17.991 -1.688 -0.706 1.00 0.00 H new ATOM 561 N VAL A 34 17.448 3.036 -8.504 1.00 0.00 N ATOM 562 CA VAL A 34 17.964 2.337 -9.673 1.00 0.00 C ATOM 563 C VAL A 34 19.489 2.345 -9.568 1.00 0.00 C ATOM 564 O VAL A 34 20.074 3.283 -9.023 1.00 0.00 O ATOM 565 CB VAL A 34 17.406 2.953 -10.976 1.00 0.00 C ATOM 566 CG1 VAL A 34 17.641 4.466 -11.094 1.00 0.00 C ATOM 567 CG2 VAL A 34 17.967 2.267 -12.230 1.00 0.00 C ATOM 0 H VAL A 34 17.881 3.948 -8.358 1.00 0.00 H new ATOM 0 HA VAL A 34 17.632 1.299 -9.706 1.00 0.00 H new ATOM 0 HB VAL A 34 16.331 2.782 -10.914 1.00 0.00 H new ATOM 0 HG11 VAL A 34 17.222 4.827 -12.033 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.156 4.976 -10.261 1.00 0.00 H new ATOM 0 HG13 VAL A 34 18.711 4.671 -11.071 1.00 0.00 H new ATOM 0 HG21 VAL A 34 17.546 2.735 -13.120 1.00 0.00 H new ATOM 0 HG22 VAL A 34 19.052 2.369 -12.246 1.00 0.00 H new ATOM 0 HG23 VAL A 34 17.702 1.210 -12.216 1.00 0.00 H new ATOM 577 N LYS A 35 20.137 1.291 -10.061 1.00 0.00 N ATOM 578 CA LYS A 35 21.579 1.126 -9.997 1.00 0.00 C ATOM 579 C LYS A 35 22.096 0.369 -11.207 1.00 0.00 C ATOM 580 O LYS A 35 21.371 -0.429 -11.803 1.00 0.00 O ATOM 581 CB LYS A 35 21.954 0.405 -8.690 1.00 0.00 C ATOM 582 CG LYS A 35 21.455 -1.052 -8.598 1.00 0.00 C ATOM 583 CD LYS A 35 21.713 -1.695 -7.227 1.00 0.00 C ATOM 584 CE LYS A 35 23.144 -1.511 -6.700 1.00 0.00 C ATOM 585 NZ LYS A 35 24.180 -2.147 -7.554 1.00 0.00 N ATOM 0 H LYS A 35 19.661 0.516 -10.524 1.00 0.00 H new ATOM 0 HA LYS A 35 22.049 2.109 -10.006 1.00 0.00 H new ATOM 0 HB2 LYS A 35 23.039 0.412 -8.584 1.00 0.00 H new ATOM 0 HB3 LYS A 35 21.549 0.968 -7.850 1.00 0.00 H new ATOM 0 HG2 LYS A 35 20.386 -1.077 -8.808 1.00 0.00 H new ATOM 0 HG3 LYS A 35 21.945 -1.646 -9.369 1.00 0.00 H new ATOM 0 HD2 LYS A 35 21.015 -1.273 -6.504 1.00 0.00 H new ATOM 0 HD3 LYS A 35 21.497 -2.761 -7.293 1.00 0.00 H new ATOM 0 HE2 LYS A 35 23.357 -0.445 -6.618 1.00 0.00 H new ATOM 0 HE3 LYS A 35 23.208 -1.928 -5.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 25.119 -1.792 -7.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 24.149 -3.179 -7.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 23.998 -1.916 -8.551 1.00 0.00 H new ATOM 599 N ASN A 36 23.370 0.570 -11.538 1.00 0.00 N ATOM 600 CA ASN A 36 24.089 -0.359 -12.403 1.00 0.00 C ATOM 601 C ASN A 36 24.366 -1.651 -11.625 1.00 0.00 C ATOM 602 O ASN A 36 24.345 -1.661 -10.388 1.00 0.00 O ATOM 603 CB ASN A 36 25.410 0.262 -12.901 1.00 0.00 C ATOM 604 CG ASN A 36 26.525 0.190 -11.858 1.00 0.00 C ATOM 605 OD1 ASN A 36 26.452 0.838 -10.820 1.00 0.00 O ATOM 606 ND2 ASN A 36 27.563 -0.596 -12.097 1.00 0.00 N ATOM 0 H ASN A 36 23.923 1.366 -11.221 1.00 0.00 H new ATOM 0 HA ASN A 36 23.477 -0.580 -13.277 1.00 0.00 H new ATOM 0 HB2 ASN A 36 25.731 -0.254 -13.806 1.00 0.00 H new ATOM 0 HB3 ASN A 36 25.238 1.304 -13.172 1.00 0.00 H new ATOM 0 HD21 ASN A 36 28.316 -0.668 -11.413 1.00 0.00 H new ATOM 0 HD22 ASN A 36 27.610 -1.129 -12.965 1.00 0.00 H new ATOM 613 N ARG A 37 24.712 -2.720 -12.340 1.00 0.00 N ATOM 614 CA ARG A 37 25.273 -3.937 -11.764 1.00 0.00 C ATOM 615 C ARG A 37 26.615 -4.203 -12.432 1.00 0.00 C ATOM 616 O ARG A 37 26.765 -3.960 -13.631 1.00 0.00 O ATOM 617 CB ARG A 37 24.312 -5.115 -11.987 1.00 0.00 C ATOM 618 CG ARG A 37 23.019 -5.003 -11.158 1.00 0.00 C ATOM 619 CD ARG A 37 22.132 -6.250 -11.299 1.00 0.00 C ATOM 620 NE ARG A 37 22.872 -7.479 -10.989 1.00 0.00 N ATOM 621 CZ ARG A 37 23.094 -7.994 -9.778 1.00 0.00 C ATOM 622 NH1 ARG A 37 22.458 -7.552 -8.693 1.00 0.00 N ATOM 623 NH2 ARG A 37 24.001 -8.960 -9.687 1.00 0.00 N ATOM 0 H ARG A 37 24.608 -2.764 -13.354 1.00 0.00 H new ATOM 0 HA ARG A 37 25.414 -3.820 -10.690 1.00 0.00 H new ATOM 0 HB2 ARG A 37 24.055 -5.172 -13.045 1.00 0.00 H new ATOM 0 HB3 ARG A 37 24.821 -6.045 -11.732 1.00 0.00 H new ATOM 0 HG2 ARG A 37 23.273 -4.857 -10.108 1.00 0.00 H new ATOM 0 HG3 ARG A 37 22.460 -4.123 -11.476 1.00 0.00 H new ATOM 0 HD2 ARG A 37 21.274 -6.164 -10.632 1.00 0.00 H new ATOM 0 HD3 ARG A 37 21.742 -6.306 -12.315 1.00 0.00 H new ATOM 0 HE ARG A 37 23.257 -7.993 -11.782 1.00 0.00 H new ATOM 0 HH11 ARG A 37 21.777 -6.797 -8.773 1.00 0.00 H new ATOM 0 HH12 ARG A 37 22.652 -7.969 -7.783 1.00 0.00 H new ATOM 0 HH21 ARG A 37 24.494 -9.277 -10.522 1.00 0.00 H new ATOM 0 HH22 ARG A 37 24.205 -9.384 -8.782 1.00 0.00 H new ATOM 637 N ASP A 38 27.581 -4.726 -11.679 1.00 0.00 N ATOM 638 CA ASP A 38 28.924 -5.015 -12.191 1.00 0.00 C ATOM 639 C ASP A 38 28.886 -6.060 -13.312 1.00 0.00 C ATOM 640 O ASP A 38 29.688 -6.007 -14.243 1.00 0.00 O ATOM 641 CB ASP A 38 29.822 -5.508 -11.051 1.00 0.00 C ATOM 642 CG ASP A 38 31.224 -5.880 -11.563 1.00 0.00 C ATOM 643 OD1 ASP A 38 32.017 -4.968 -11.885 1.00 0.00 O ATOM 644 OD2 ASP A 38 31.555 -7.086 -11.609 1.00 0.00 O ATOM 0 H ASP A 38 27.457 -4.963 -10.695 1.00 0.00 H new ATOM 0 HA ASP A 38 29.330 -4.092 -12.605 1.00 0.00 H new ATOM 0 HB2 ASP A 38 29.905 -4.733 -10.289 1.00 0.00 H new ATOM 0 HB3 ASP A 38 29.365 -6.375 -10.574 1.00 0.00 H new ATOM 649 N ASP A 39 27.917 -6.980 -13.249 1.00 0.00 N ATOM 650 CA ASP A 39 27.683 -8.003 -14.270 1.00 0.00 C ATOM 651 C ASP A 39 27.166 -7.433 -15.604 1.00 0.00 C ATOM 652 O ASP A 39 27.154 -8.158 -16.602 1.00 0.00 O ATOM 653 CB ASP A 39 26.761 -9.112 -13.738 1.00 0.00 C ATOM 654 CG ASP A 39 25.314 -8.684 -13.476 1.00 0.00 C ATOM 655 OD1 ASP A 39 24.648 -8.102 -14.356 1.00 0.00 O ATOM 656 OD2 ASP A 39 24.798 -8.989 -12.375 1.00 0.00 O ATOM 0 H ASP A 39 27.261 -7.034 -12.470 1.00 0.00 H new ATOM 0 HA ASP A 39 28.657 -8.439 -14.492 1.00 0.00 H new ATOM 0 HB2 ASP A 39 26.756 -9.934 -14.454 1.00 0.00 H new ATOM 0 HB3 ASP A 39 27.182 -9.500 -12.811 1.00 0.00 H new ATOM 661 N GLY A 40 26.780 -6.151 -15.654 1.00 0.00 N ATOM 662 CA GLY A 40 26.400 -5.451 -16.878 1.00 0.00 C ATOM 663 C GLY A 40 24.914 -5.096 -16.932 1.00 0.00 C ATOM 664 O GLY A 40 24.520 -4.254 -17.741 1.00 0.00 O ATOM 0 H GLY A 40 26.724 -5.563 -14.823 1.00 0.00 H new ATOM 0 HA2 GLY A 40 26.989 -4.538 -16.964 1.00 0.00 H new ATOM 0 HA3 GLY A 40 26.650 -6.073 -17.737 1.00 0.00 H new ATOM 668 N ARG A 41 24.076 -5.704 -16.085 1.00 0.00 N ATOM 669 CA ARG A 41 22.660 -5.359 -15.986 1.00 0.00 C ATOM 670 C ARG A 41 22.468 -3.988 -15.340 1.00 0.00 C ATOM 671 O ARG A 41 23.404 -3.368 -14.821 1.00 0.00 O ATOM 672 CB ARG A 41 21.922 -6.477 -15.222 1.00 0.00 C ATOM 673 CG ARG A 41 21.659 -7.660 -16.169 1.00 0.00 C ATOM 674 CD ARG A 41 21.227 -8.988 -15.555 1.00 0.00 C ATOM 675 NE ARG A 41 22.135 -9.462 -14.499 1.00 0.00 N ATOM 676 CZ ARG A 41 21.899 -10.506 -13.694 1.00 0.00 C ATOM 677 NH1 ARG A 41 20.796 -11.240 -13.834 1.00 0.00 N ATOM 678 NH2 ARG A 41 22.770 -10.811 -12.741 1.00 0.00 N ATOM 0 H ARG A 41 24.364 -6.449 -15.450 1.00 0.00 H new ATOM 0 HA ARG A 41 22.231 -5.284 -16.985 1.00 0.00 H new ATOM 0 HB2 ARG A 41 22.519 -6.805 -14.371 1.00 0.00 H new ATOM 0 HB3 ARG A 41 20.980 -6.099 -14.825 1.00 0.00 H new ATOM 0 HG2 ARG A 41 20.890 -7.355 -16.879 1.00 0.00 H new ATOM 0 HG3 ARG A 41 22.569 -7.838 -16.742 1.00 0.00 H new ATOM 0 HD2 ARG A 41 20.224 -8.880 -15.141 1.00 0.00 H new ATOM 0 HD3 ARG A 41 21.169 -9.742 -16.340 1.00 0.00 H new ATOM 0 HE ARG A 41 23.012 -8.957 -14.370 1.00 0.00 H new ATOM 0 HH11 ARG A 41 20.119 -11.009 -14.561 1.00 0.00 H new ATOM 0 HH12 ARG A 41 20.629 -12.033 -13.214 1.00 0.00 H new ATOM 0 HH21 ARG A 41 23.615 -10.251 -12.624 1.00 0.00 H new ATOM 0 HH22 ARG A 41 22.595 -11.605 -12.125 1.00 0.00 H new ATOM 692 N VAL A 42 21.223 -3.541 -15.328 1.00 0.00 N ATOM 693 CA VAL A 42 20.735 -2.464 -14.482 1.00 0.00 C ATOM 694 C VAL A 42 19.693 -3.115 -13.571 1.00 0.00 C ATOM 695 O VAL A 42 19.040 -4.087 -13.960 1.00 0.00 O ATOM 696 CB VAL A 42 20.194 -1.321 -15.377 1.00 0.00 C ATOM 697 CG1 VAL A 42 19.362 -0.262 -14.637 1.00 0.00 C ATOM 698 CG2 VAL A 42 21.367 -0.599 -16.063 1.00 0.00 C ATOM 0 H VAL A 42 20.498 -3.932 -15.929 1.00 0.00 H new ATOM 0 HA VAL A 42 21.498 -1.993 -13.862 1.00 0.00 H new ATOM 0 HB VAL A 42 19.531 -1.810 -16.091 1.00 0.00 H new ATOM 0 HG11 VAL A 42 19.027 0.497 -15.344 1.00 0.00 H new ATOM 0 HG12 VAL A 42 18.496 -0.737 -14.176 1.00 0.00 H new ATOM 0 HG13 VAL A 42 19.973 0.206 -13.865 1.00 0.00 H new ATOM 0 HG21 VAL A 42 20.982 0.204 -16.692 1.00 0.00 H new ATOM 0 HG22 VAL A 42 22.030 -0.181 -15.306 1.00 0.00 H new ATOM 0 HG23 VAL A 42 21.921 -1.308 -16.679 1.00 0.00 H new ATOM 708 N GLU A 43 19.551 -2.605 -12.352 1.00 0.00 N ATOM 709 CA GLU A 43 18.648 -3.122 -11.338 1.00 0.00 C ATOM 710 C GLU A 43 17.873 -1.944 -10.769 1.00 0.00 C ATOM 711 O GLU A 43 18.410 -0.851 -10.593 1.00 0.00 O ATOM 712 CB GLU A 43 19.449 -3.894 -10.278 1.00 0.00 C ATOM 713 CG GLU A 43 18.734 -4.043 -8.927 1.00 0.00 C ATOM 714 CD GLU A 43 19.461 -4.967 -7.942 1.00 0.00 C ATOM 715 OE1 GLU A 43 20.332 -5.783 -8.327 1.00 0.00 O ATOM 716 OE2 GLU A 43 19.092 -4.949 -6.750 1.00 0.00 O ATOM 0 H GLU A 43 20.081 -1.793 -12.035 1.00 0.00 H new ATOM 0 HA GLU A 43 17.932 -3.832 -11.752 1.00 0.00 H new ATOM 0 HB2 GLU A 43 19.679 -4.887 -10.665 1.00 0.00 H new ATOM 0 HB3 GLU A 43 20.400 -3.386 -10.118 1.00 0.00 H new ATOM 0 HG2 GLU A 43 18.624 -3.058 -8.474 1.00 0.00 H new ATOM 0 HG3 GLU A 43 17.729 -4.429 -9.099 1.00 0.00 H new ATOM 723 N ILE A 44 16.594 -2.172 -10.514 1.00 0.00 N ATOM 724 CA ILE A 44 15.604 -1.177 -10.171 1.00 0.00 C ATOM 725 C ILE A 44 14.840 -1.789 -9.000 1.00 0.00 C ATOM 726 O ILE A 44 14.566 -2.992 -9.000 1.00 0.00 O ATOM 727 CB ILE A 44 14.685 -0.949 -11.395 1.00 0.00 C ATOM 728 CG1 ILE A 44 15.458 -0.713 -12.720 1.00 0.00 C ATOM 729 CG2 ILE A 44 13.717 0.218 -11.131 1.00 0.00 C ATOM 730 CD1 ILE A 44 14.608 -1.052 -13.936 1.00 0.00 C ATOM 0 H ILE A 44 16.202 -3.113 -10.544 1.00 0.00 H new ATOM 0 HA ILE A 44 16.025 -0.208 -9.902 1.00 0.00 H new ATOM 0 HB ILE A 44 14.124 -1.874 -11.527 1.00 0.00 H new ATOM 0 HG12 ILE A 44 15.774 0.329 -12.776 1.00 0.00 H new ATOM 0 HG13 ILE A 44 16.362 -1.322 -12.727 1.00 0.00 H new ATOM 0 HG21 ILE A 44 13.078 0.365 -12.002 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.100 -0.011 -10.262 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.287 1.128 -10.942 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.184 -0.874 -14.844 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.314 -2.101 -13.893 1.00 0.00 H new ATOM 0 HD13 ILE A 44 13.717 -0.425 -13.943 1.00 0.00 H new ATOM 742 N LEU A 45 14.488 -0.993 -8.000 1.00 0.00 N ATOM 743 CA LEU A 45 13.764 -1.459 -6.829 1.00 0.00 C ATOM 744 C LEU A 45 12.857 -0.307 -6.439 1.00 0.00 C ATOM 745 O LEU A 45 13.357 0.791 -6.200 1.00 0.00 O ATOM 746 CB LEU A 45 14.782 -1.838 -5.739 1.00 0.00 C ATOM 747 CG LEU A 45 14.220 -2.777 -4.657 1.00 0.00 C ATOM 748 CD1 LEU A 45 15.360 -3.154 -3.708 1.00 0.00 C ATOM 749 CD2 LEU A 45 13.083 -2.156 -3.843 1.00 0.00 C ATOM 0 H LEU A 45 14.700 0.005 -7.980 1.00 0.00 H new ATOM 0 HA LEU A 45 13.162 -2.352 -7.000 1.00 0.00 H new ATOM 0 HB2 LEU A 45 15.642 -2.316 -6.209 1.00 0.00 H new ATOM 0 HB3 LEU A 45 15.145 -0.927 -5.262 1.00 0.00 H new ATOM 0 HG LEU A 45 13.805 -3.648 -5.165 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.982 -3.820 -2.932 1.00 0.00 H new ATOM 0 HD12 LEU A 45 16.148 -3.658 -4.268 1.00 0.00 H new ATOM 0 HD13 LEU A 45 15.763 -2.252 -3.247 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.735 -2.872 -3.099 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.443 -1.258 -3.341 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.260 -1.895 -4.508 1.00 0.00 H new ATOM 761 N ALA A 46 11.542 -0.520 -6.433 1.00 0.00 N ATOM 762 CA ALA A 46 10.570 0.550 -6.276 1.00 0.00 C ATOM 763 C ALA A 46 9.417 0.091 -5.397 1.00 0.00 C ATOM 764 O ALA A 46 9.000 -1.066 -5.455 1.00 0.00 O ATOM 765 CB ALA A 46 10.047 0.980 -7.650 1.00 0.00 C ATOM 0 H ALA A 46 11.124 -1.444 -6.538 1.00 0.00 H new ATOM 0 HA ALA A 46 11.054 1.400 -5.796 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.319 1.782 -7.528 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.877 1.334 -8.261 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.572 0.130 -8.141 1.00 0.00 H new ATOM 771 N GLU A 47 8.877 1.034 -4.637 1.00 0.00 N ATOM 772 CA GLU A 47 7.726 0.912 -3.763 1.00 0.00 C ATOM 773 C GLU A 47 6.721 1.981 -4.199 1.00 0.00 C ATOM 774 O GLU A 47 7.115 3.100 -4.550 1.00 0.00 O ATOM 775 CB GLU A 47 8.195 1.154 -2.320 1.00 0.00 C ATOM 776 CG GLU A 47 7.074 1.036 -1.276 1.00 0.00 C ATOM 777 CD GLU A 47 7.490 1.687 0.051 1.00 0.00 C ATOM 778 OE1 GLU A 47 8.455 1.198 0.673 1.00 0.00 O ATOM 779 OE2 GLU A 47 6.850 2.678 0.472 1.00 0.00 O ATOM 0 H GLU A 47 9.266 1.977 -4.617 1.00 0.00 H new ATOM 0 HA GLU A 47 7.263 -0.073 -3.817 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.981 0.438 -2.078 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.638 2.148 -2.253 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.169 1.514 -1.652 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.834 -0.014 -1.111 1.00 0.00 H new ATOM 786 N GLY A 48 5.428 1.649 -4.166 1.00 0.00 N ATOM 787 CA GLY A 48 4.357 2.584 -4.476 1.00 0.00 C ATOM 788 C GLY A 48 3.003 1.884 -4.567 1.00 0.00 C ATOM 789 O GLY A 48 2.899 0.703 -4.219 1.00 0.00 O ATOM 0 H GLY A 48 5.098 0.715 -3.921 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.316 3.357 -3.709 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.572 3.083 -5.421 1.00 0.00 H new ATOM 793 N PRO A 49 1.952 2.590 -5.011 1.00 0.00 N ATOM 794 CA PRO A 49 0.681 1.966 -5.344 1.00 0.00 C ATOM 795 C PRO A 49 0.839 1.112 -6.609 1.00 0.00 C ATOM 796 O PRO A 49 1.656 1.413 -7.485 1.00 0.00 O ATOM 797 CB PRO A 49 -0.302 3.124 -5.530 1.00 0.00 C ATOM 798 CG PRO A 49 0.579 4.286 -5.986 1.00 0.00 C ATOM 799 CD PRO A 49 1.929 4.014 -5.319 1.00 0.00 C ATOM 0 HA PRO A 49 0.320 1.288 -4.571 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.064 2.886 -6.272 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.823 3.358 -4.602 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.669 4.316 -7.072 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.166 5.246 -5.674 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.752 4.282 -5.982 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.043 4.610 -4.413 1.00 0.00 H new ATOM 807 N GLU A 50 0.031 0.056 -6.719 1.00 0.00 N ATOM 808 CA GLU A 50 0.146 -0.938 -7.785 1.00 0.00 C ATOM 809 C GLU A 50 -0.012 -0.299 -9.169 1.00 0.00 C ATOM 810 O GLU A 50 0.721 -0.659 -10.083 1.00 0.00 O ATOM 811 CB GLU A 50 -0.878 -2.058 -7.538 1.00 0.00 C ATOM 812 CG GLU A 50 -0.782 -3.202 -8.558 1.00 0.00 C ATOM 813 CD GLU A 50 -1.815 -4.305 -8.258 1.00 0.00 C ATOM 814 OE1 GLU A 50 -2.967 -4.213 -8.740 1.00 0.00 O ATOM 815 OE2 GLU A 50 -1.485 -5.285 -7.553 1.00 0.00 O ATOM 0 H GLU A 50 -0.728 -0.134 -6.064 1.00 0.00 H new ATOM 0 HA GLU A 50 1.146 -1.372 -7.769 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.732 -2.460 -6.536 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -1.883 -1.636 -7.569 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.945 -2.811 -9.563 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.222 -3.626 -8.539 1.00 0.00 H new ATOM 822 N ASN A 51 -0.913 0.676 -9.336 1.00 0.00 N ATOM 823 CA ASN A 51 -1.136 1.319 -10.636 1.00 0.00 C ATOM 824 C ASN A 51 0.109 2.073 -11.116 1.00 0.00 C ATOM 825 O ASN A 51 0.498 1.954 -12.283 1.00 0.00 O ATOM 826 CB ASN A 51 -2.340 2.269 -10.549 1.00 0.00 C ATOM 827 CG ASN A 51 -2.535 3.041 -11.850 1.00 0.00 C ATOM 828 OD1 ASN A 51 -2.231 4.228 -11.925 1.00 0.00 O ATOM 829 ND2 ASN A 51 -3.024 2.397 -12.896 1.00 0.00 N ATOM 0 H ASN A 51 -1.501 1.038 -8.585 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.346 0.538 -11.367 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.241 1.698 -10.325 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.194 2.970 -9.727 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.153 2.886 -13.781 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.272 1.411 -12.818 1.00 0.00 H new ATOM 836 N ALA A 52 0.759 2.819 -10.214 1.00 0.00 N ATOM 837 CA ALA A 52 1.999 3.520 -10.526 1.00 0.00 C ATOM 838 C ALA A 52 3.094 2.511 -10.857 1.00 0.00 C ATOM 839 O ALA A 52 3.810 2.684 -11.841 1.00 0.00 O ATOM 840 CB ALA A 52 2.431 4.398 -9.344 1.00 0.00 C ATOM 0 H ALA A 52 0.438 2.950 -9.255 1.00 0.00 H new ATOM 0 HA ALA A 52 1.831 4.162 -11.391 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.358 4.914 -9.594 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.653 5.132 -9.132 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.589 3.773 -8.465 1.00 0.00 H new ATOM 846 N LEU A 53 3.203 1.446 -10.060 1.00 0.00 N ATOM 847 CA LEU A 53 4.206 0.410 -10.253 1.00 0.00 C ATOM 848 C LEU A 53 4.013 -0.290 -11.598 1.00 0.00 C ATOM 849 O LEU A 53 4.988 -0.459 -12.323 1.00 0.00 O ATOM 850 CB LEU A 53 4.144 -0.584 -9.082 1.00 0.00 C ATOM 851 CG LEU A 53 4.804 -0.073 -7.789 1.00 0.00 C ATOM 852 CD1 LEU A 53 4.453 -1.027 -6.649 1.00 0.00 C ATOM 853 CD2 LEU A 53 6.333 0.031 -7.886 1.00 0.00 C ATOM 0 H LEU A 53 2.592 1.282 -9.260 1.00 0.00 H new ATOM 0 HA LEU A 53 5.197 0.864 -10.270 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.100 -0.821 -8.875 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.629 -1.513 -9.382 1.00 0.00 H new ATOM 0 HG LEU A 53 4.423 0.933 -7.611 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.915 -0.676 -5.726 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.371 -1.061 -6.523 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.823 -2.025 -6.883 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.733 0.397 -6.941 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.752 -0.952 -8.101 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.601 0.722 -8.685 1.00 0.00 H new ATOM 865 N GLN A 54 2.791 -0.667 -11.979 1.00 0.00 N ATOM 866 CA GLN A 54 2.527 -1.316 -13.262 1.00 0.00 C ATOM 867 C GLN A 54 2.858 -0.374 -14.424 1.00 0.00 C ATOM 868 O GLN A 54 3.529 -0.786 -15.375 1.00 0.00 O ATOM 869 CB GLN A 54 1.063 -1.784 -13.330 1.00 0.00 C ATOM 870 CG GLN A 54 0.784 -3.016 -12.451 1.00 0.00 C ATOM 871 CD GLN A 54 1.572 -4.253 -12.894 1.00 0.00 C ATOM 872 OE1 GLN A 54 1.458 -4.715 -14.026 1.00 0.00 O ATOM 873 NE2 GLN A 54 2.399 -4.809 -12.023 1.00 0.00 N ATOM 0 H GLN A 54 1.958 -0.531 -11.406 1.00 0.00 H new ATOM 0 HA GLN A 54 3.171 -2.191 -13.349 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.412 -0.967 -13.019 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.810 -2.017 -14.364 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.035 -2.783 -11.416 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -0.282 -3.241 -12.477 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.488 -4.420 -11.084 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.947 -5.627 -12.290 1.00 0.00 H new ATOM 882 N SER A 55 2.461 0.899 -14.322 1.00 0.00 N ATOM 883 CA SER A 55 2.825 1.905 -15.318 1.00 0.00 C ATOM 884 C SER A 55 4.353 2.001 -15.448 1.00 0.00 C ATOM 885 O SER A 55 4.894 2.113 -16.549 1.00 0.00 O ATOM 886 CB SER A 55 2.241 3.266 -14.928 1.00 0.00 C ATOM 887 OG SER A 55 0.841 3.202 -14.703 1.00 0.00 O ATOM 0 H SER A 55 1.887 1.255 -13.558 1.00 0.00 H new ATOM 0 HA SER A 55 2.413 1.607 -16.282 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.736 3.628 -14.027 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.448 3.988 -15.717 1.00 0.00 H new ATOM 0 HG SER A 55 0.665 2.704 -13.878 1.00 0.00 H new ATOM 893 N PHE A 56 5.061 1.918 -14.321 1.00 0.00 N ATOM 894 CA PHE A 56 6.505 1.955 -14.293 1.00 0.00 C ATOM 895 C PHE A 56 7.114 0.675 -14.882 1.00 0.00 C ATOM 896 O PHE A 56 8.140 0.794 -15.543 1.00 0.00 O ATOM 897 CB PHE A 56 6.964 2.279 -12.867 1.00 0.00 C ATOM 898 CG PHE A 56 8.449 2.515 -12.675 1.00 0.00 C ATOM 899 CD1 PHE A 56 9.127 3.469 -13.458 1.00 0.00 C ATOM 900 CD2 PHE A 56 9.135 1.851 -11.639 1.00 0.00 C ATOM 901 CE1 PHE A 56 10.484 3.738 -13.212 1.00 0.00 C ATOM 902 CE2 PHE A 56 10.486 2.128 -11.389 1.00 0.00 C ATOM 903 CZ PHE A 56 11.155 3.078 -12.169 1.00 0.00 C ATOM 0 H PHE A 56 4.635 1.823 -13.399 1.00 0.00 H new ATOM 0 HA PHE A 56 6.877 2.750 -14.940 1.00 0.00 H new ATOM 0 HB2 PHE A 56 6.430 3.168 -12.530 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.661 1.459 -12.216 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.605 3.993 -14.246 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.616 1.123 -11.033 1.00 0.00 H new ATOM 0 HE1 PHE A 56 11.012 4.453 -13.826 1.00 0.00 H new ATOM 0 HE2 PHE A 56 11.008 1.611 -10.598 1.00 0.00 H new ATOM 0 HZ PHE A 56 12.192 3.305 -11.968 1.00 0.00 H new ATOM 913 N VAL A 57 6.489 -0.511 -14.779 1.00 0.00 N ATOM 914 CA VAL A 57 6.953 -1.675 -15.545 1.00 0.00 C ATOM 915 C VAL A 57 6.823 -1.368 -17.035 1.00 0.00 C ATOM 916 O VAL A 57 7.764 -1.631 -17.782 1.00 0.00 O ATOM 917 CB VAL A 57 6.219 -2.997 -15.217 1.00 0.00 C ATOM 918 CG1 VAL A 57 6.914 -4.180 -15.914 1.00 0.00 C ATOM 919 CG2 VAL A 57 6.190 -3.318 -13.722 1.00 0.00 C ATOM 0 H VAL A 57 5.678 -0.685 -14.185 1.00 0.00 H new ATOM 0 HA VAL A 57 7.991 -1.840 -15.258 1.00 0.00 H new ATOM 0 HB VAL A 57 5.197 -2.857 -15.569 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.387 -5.104 -15.675 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.902 -4.025 -16.993 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.946 -4.251 -15.569 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.661 -4.257 -13.562 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.210 -3.408 -13.349 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.678 -2.518 -13.188 1.00 0.00 H new ATOM 929 N GLU A 58 5.695 -0.800 -17.479 1.00 0.00 N ATOM 930 CA GLU A 58 5.493 -0.495 -18.893 1.00 0.00 C ATOM 931 C GLU A 58 6.550 0.494 -19.400 1.00 0.00 C ATOM 932 O GLU A 58 7.022 0.353 -20.530 1.00 0.00 O ATOM 933 CB GLU A 58 4.066 0.012 -19.160 1.00 0.00 C ATOM 934 CG GLU A 58 3.027 -1.106 -19.000 1.00 0.00 C ATOM 935 CD GLU A 58 1.610 -0.613 -19.346 1.00 0.00 C ATOM 936 OE1 GLU A 58 1.199 -0.716 -20.525 1.00 0.00 O ATOM 937 OE2 GLU A 58 0.884 -0.136 -18.445 1.00 0.00 O ATOM 0 H GLU A 58 4.912 -0.544 -16.877 1.00 0.00 H new ATOM 0 HA GLU A 58 5.615 -1.421 -19.454 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.834 0.825 -18.472 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.008 0.421 -20.169 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.290 -1.944 -19.646 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.044 -1.476 -17.975 1.00 0.00 H new ATOM 944 N ALA A 59 6.972 1.451 -18.566 1.00 0.00 N ATOM 945 CA ALA A 59 8.099 2.317 -18.875 1.00 0.00 C ATOM 946 C ALA A 59 9.415 1.525 -18.928 1.00 0.00 C ATOM 947 O ALA A 59 10.156 1.618 -19.905 1.00 0.00 O ATOM 948 CB ALA A 59 8.184 3.453 -17.850 1.00 0.00 C ATOM 0 H ALA A 59 6.539 1.641 -17.662 1.00 0.00 H new ATOM 0 HA ALA A 59 7.939 2.748 -19.863 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.031 4.096 -18.089 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.265 4.038 -17.878 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.317 3.034 -16.853 1.00 0.00 H new ATOM 954 N VAL A 60 9.716 0.743 -17.889 1.00 0.00 N ATOM 955 CA VAL A 60 10.991 0.055 -17.719 1.00 0.00 C ATOM 956 C VAL A 60 11.217 -0.970 -18.833 1.00 0.00 C ATOM 957 O VAL A 60 12.321 -1.032 -19.375 1.00 0.00 O ATOM 958 CB VAL A 60 11.031 -0.556 -16.299 1.00 0.00 C ATOM 959 CG1 VAL A 60 12.078 -1.662 -16.112 1.00 0.00 C ATOM 960 CG2 VAL A 60 11.315 0.549 -15.266 1.00 0.00 C ATOM 0 H VAL A 60 9.062 0.569 -17.126 1.00 0.00 H new ATOM 0 HA VAL A 60 11.820 0.757 -17.806 1.00 0.00 H new ATOM 0 HB VAL A 60 10.052 -1.013 -16.153 1.00 0.00 H new ATOM 0 HG11 VAL A 60 12.036 -2.033 -15.088 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.871 -2.479 -16.803 1.00 0.00 H new ATOM 0 HG13 VAL A 60 13.071 -1.260 -16.312 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.342 0.115 -14.267 1.00 0.00 H new ATOM 0 HG22 VAL A 60 12.276 1.014 -15.486 1.00 0.00 H new ATOM 0 HG23 VAL A 60 10.528 1.302 -15.313 1.00 0.00 H new ATOM 970 N LYS A 61 10.201 -1.750 -19.221 1.00 0.00 N ATOM 971 CA LYS A 61 10.371 -2.810 -20.216 1.00 0.00 C ATOM 972 C LYS A 61 10.759 -2.272 -21.598 1.00 0.00 C ATOM 973 O LYS A 61 11.279 -3.032 -22.414 1.00 0.00 O ATOM 974 CB LYS A 61 9.135 -3.731 -20.257 1.00 0.00 C ATOM 975 CG LYS A 61 7.882 -3.101 -20.889 1.00 0.00 C ATOM 976 CD LYS A 61 6.725 -4.110 -20.924 1.00 0.00 C ATOM 977 CE LYS A 61 5.529 -3.534 -21.697 1.00 0.00 C ATOM 978 NZ LYS A 61 4.399 -4.495 -21.780 1.00 0.00 N ATOM 0 H LYS A 61 9.251 -1.665 -18.859 1.00 0.00 H new ATOM 0 HA LYS A 61 11.218 -3.419 -19.900 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.390 -4.634 -20.812 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.895 -4.040 -19.239 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.585 -2.220 -20.320 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.109 -2.765 -21.901 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.057 -5.036 -21.394 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.422 -4.359 -19.907 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.191 -2.619 -21.210 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.846 -3.261 -22.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.615 -4.064 -22.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.713 -5.358 -22.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.077 -4.736 -20.821 1.00 0.00 H new ATOM 992 N ASN A 62 10.533 -0.980 -21.871 1.00 0.00 N ATOM 993 CA ASN A 62 10.987 -0.341 -23.105 1.00 0.00 C ATOM 994 C ASN A 62 12.517 -0.244 -23.166 1.00 0.00 C ATOM 995 O ASN A 62 13.082 -0.191 -24.258 1.00 0.00 O ATOM 996 CB ASN A 62 10.391 1.071 -23.216 1.00 0.00 C ATOM 997 CG ASN A 62 10.724 1.717 -24.558 1.00 0.00 C ATOM 998 OD1 ASN A 62 10.139 1.382 -25.585 1.00 0.00 O ATOM 999 ND2 ASN A 62 11.651 2.659 -24.577 1.00 0.00 N ATOM 0 H ASN A 62 10.031 -0.353 -21.242 1.00 0.00 H new ATOM 0 HA ASN A 62 10.648 -0.960 -23.936 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.309 1.021 -23.094 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.774 1.693 -22.407 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.891 3.121 -25.454 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.126 2.924 -23.714 1.00 0.00 H new ATOM 1006 N GLY A 63 13.194 -0.185 -22.012 1.00 0.00 N ATOM 1007 CA GLY A 63 14.508 0.440 -21.918 1.00 0.00 C ATOM 1008 C GLY A 63 14.366 1.953 -22.129 1.00 0.00 C ATOM 1009 O GLY A 63 13.248 2.471 -22.231 1.00 0.00 O ATOM 0 H GLY A 63 12.847 -0.565 -21.131 1.00 0.00 H new ATOM 0 HA2 GLY A 63 14.951 0.237 -20.943 1.00 0.00 H new ATOM 0 HA3 GLY A 63 15.179 0.018 -22.667 1.00 0.00 H new ATOM 1013 N SER A 64 15.471 2.692 -22.224 1.00 0.00 N ATOM 1014 CA SER A 64 15.394 4.014 -22.835 1.00 0.00 C ATOM 1015 C SER A 64 15.078 3.836 -24.331 1.00 0.00 C ATOM 1016 O SER A 64 15.351 2.769 -24.891 1.00 0.00 O ATOM 1017 CB SER A 64 16.694 4.797 -22.618 1.00 0.00 C ATOM 1018 OG SER A 64 17.770 4.260 -23.366 1.00 0.00 O ATOM 0 H SER A 64 16.396 2.411 -21.899 1.00 0.00 H new ATOM 0 HA SER A 64 14.601 4.597 -22.366 1.00 0.00 H new ATOM 0 HB2 SER A 64 16.541 5.839 -22.900 1.00 0.00 H new ATOM 0 HB3 SER A 64 16.950 4.788 -21.558 1.00 0.00 H new ATOM 0 HG SER A 64 17.940 3.339 -23.079 1.00 0.00 H new ATOM 1024 N PRO A 65 14.606 4.879 -25.030 1.00 0.00 N ATOM 1025 CA PRO A 65 14.533 4.896 -26.491 1.00 0.00 C ATOM 1026 C PRO A 65 15.892 4.712 -27.204 1.00 0.00 C ATOM 1027 O PRO A 65 15.911 4.635 -28.435 1.00 0.00 O ATOM 1028 CB PRO A 65 13.834 6.213 -26.858 1.00 0.00 C ATOM 1029 CG PRO A 65 13.977 7.085 -25.610 1.00 0.00 C ATOM 1030 CD PRO A 65 13.992 6.071 -24.471 1.00 0.00 C ATOM 0 HA PRO A 65 13.970 4.032 -26.845 1.00 0.00 H new ATOM 0 HB2 PRO A 65 14.300 6.681 -27.725 1.00 0.00 H new ATOM 0 HB3 PRO A 65 12.786 6.049 -27.109 1.00 0.00 H new ATOM 0 HG2 PRO A 65 14.893 7.675 -25.635 1.00 0.00 H new ATOM 0 HG3 PRO A 65 13.148 7.787 -25.513 1.00 0.00 H new ATOM 0 HD2 PRO A 65 14.560 6.444 -23.619 1.00 0.00 H new ATOM 0 HD3 PRO A 65 12.983 5.864 -24.115 1.00 0.00 H new ATOM 1038 N PHE A 66 17.013 4.603 -26.476 1.00 0.00 N ATOM 1039 CA PHE A 66 18.340 4.308 -27.018 1.00 0.00 C ATOM 1040 C PHE A 66 18.855 2.939 -26.545 1.00 0.00 C ATOM 1041 O PHE A 66 19.856 2.444 -27.071 1.00 0.00 O ATOM 1042 CB PHE A 66 19.309 5.426 -26.606 1.00 0.00 C ATOM 1043 CG PHE A 66 18.849 6.819 -26.997 1.00 0.00 C ATOM 1044 CD1 PHE A 66 19.074 7.300 -28.302 1.00 0.00 C ATOM 1045 CD2 PHE A 66 18.163 7.626 -26.067 1.00 0.00 C ATOM 1046 CE1 PHE A 66 18.619 8.578 -28.673 1.00 0.00 C ATOM 1047 CE2 PHE A 66 17.704 8.902 -26.440 1.00 0.00 C ATOM 1048 CZ PHE A 66 17.933 9.379 -27.742 1.00 0.00 C ATOM 0 H PHE A 66 17.017 4.722 -25.463 1.00 0.00 H new ATOM 0 HA PHE A 66 18.272 4.263 -28.105 1.00 0.00 H new ATOM 0 HB2 PHE A 66 19.449 5.391 -25.526 1.00 0.00 H new ATOM 0 HB3 PHE A 66 20.281 5.235 -27.060 1.00 0.00 H new ATOM 0 HD1 PHE A 66 19.597 6.686 -29.020 1.00 0.00 H new ATOM 0 HD2 PHE A 66 17.989 7.263 -25.065 1.00 0.00 H new ATOM 0 HE1 PHE A 66 18.796 8.945 -29.673 1.00 0.00 H new ATOM 0 HE2 PHE A 66 17.175 9.516 -25.726 1.00 0.00 H new ATOM 0 HZ PHE A 66 17.583 10.360 -28.028 1.00 0.00 H new ATOM 1058 N SER A 67 18.196 2.319 -25.564 1.00 0.00 N ATOM 1059 CA SER A 67 18.552 1.006 -25.056 1.00 0.00 C ATOM 1060 C SER A 67 18.181 -0.096 -26.052 1.00 0.00 C ATOM 1061 O SER A 67 17.444 0.123 -27.019 1.00 0.00 O ATOM 1062 CB SER A 67 17.820 0.766 -23.730 1.00 0.00 C ATOM 1063 OG SER A 67 18.214 1.685 -22.728 1.00 0.00 O ATOM 0 H SER A 67 17.387 2.728 -25.097 1.00 0.00 H new ATOM 0 HA SER A 67 19.631 0.975 -24.904 1.00 0.00 H new ATOM 0 HB2 SER A 67 16.745 0.845 -23.891 1.00 0.00 H new ATOM 0 HB3 SER A 67 18.017 -0.250 -23.387 1.00 0.00 H new ATOM 0 HG SER A 67 18.001 1.317 -21.845 1.00 0.00 H new ATOM 1069 N LYS A 68 18.636 -1.314 -25.752 1.00 0.00 N ATOM 1070 CA LYS A 68 18.168 -2.549 -26.370 1.00 0.00 C ATOM 1071 C LYS A 68 18.069 -3.556 -25.238 1.00 0.00 C ATOM 1072 O LYS A 68 19.086 -4.137 -24.863 1.00 0.00 O ATOM 1073 CB LYS A 68 19.126 -3.002 -27.490 1.00 0.00 C ATOM 1074 CG LYS A 68 18.622 -4.286 -28.178 1.00 0.00 C ATOM 1075 CD LYS A 68 19.639 -4.892 -29.154 1.00 0.00 C ATOM 1076 CE LYS A 68 19.943 -3.957 -30.334 1.00 0.00 C ATOM 1077 NZ LYS A 68 20.872 -4.574 -31.315 1.00 0.00 N ATOM 0 H LYS A 68 19.361 -1.469 -25.052 1.00 0.00 H new ATOM 0 HA LYS A 68 17.201 -2.428 -26.858 1.00 0.00 H new ATOM 0 HB2 LYS A 68 19.226 -2.207 -28.229 1.00 0.00 H new ATOM 0 HB3 LYS A 68 20.118 -3.176 -27.074 1.00 0.00 H new ATOM 0 HG2 LYS A 68 18.376 -5.025 -27.416 1.00 0.00 H new ATOM 0 HG3 LYS A 68 17.701 -4.064 -28.716 1.00 0.00 H new ATOM 0 HD2 LYS A 68 20.564 -5.113 -28.621 1.00 0.00 H new ATOM 0 HD3 LYS A 68 19.255 -5.839 -29.533 1.00 0.00 H new ATOM 0 HE2 LYS A 68 19.012 -3.693 -30.835 1.00 0.00 H new ATOM 0 HE3 LYS A 68 20.377 -3.030 -29.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 21.048 -3.907 -32.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 21.771 -4.803 -30.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 20.448 -5.445 -31.694 1.00 0.00 H new ATOM 1091 N VAL A 69 16.887 -3.708 -24.642 1.00 0.00 N ATOM 1092 CA VAL A 69 16.645 -4.757 -23.657 1.00 0.00 C ATOM 1093 C VAL A 69 16.772 -6.100 -24.388 1.00 0.00 C ATOM 1094 O VAL A 69 16.188 -6.274 -25.463 1.00 0.00 O ATOM 1095 CB VAL A 69 15.257 -4.578 -23.000 1.00 0.00 C ATOM 1096 CG1 VAL A 69 14.989 -5.654 -21.931 1.00 0.00 C ATOM 1097 CG2 VAL A 69 15.119 -3.187 -22.352 1.00 0.00 C ATOM 0 H VAL A 69 16.079 -3.113 -24.827 1.00 0.00 H new ATOM 0 HA VAL A 69 17.371 -4.712 -22.845 1.00 0.00 H new ATOM 0 HB VAL A 69 14.522 -4.680 -23.799 1.00 0.00 H new ATOM 0 HG11 VAL A 69 14.004 -5.494 -21.493 1.00 0.00 H new ATOM 0 HG12 VAL A 69 15.025 -6.641 -22.391 1.00 0.00 H new ATOM 0 HG13 VAL A 69 15.748 -5.589 -21.151 1.00 0.00 H new ATOM 0 HG21 VAL A 69 14.132 -3.093 -21.899 1.00 0.00 H new ATOM 0 HG22 VAL A 69 15.884 -3.066 -21.585 1.00 0.00 H new ATOM 0 HG23 VAL A 69 15.244 -2.417 -23.113 1.00 0.00 H new ATOM 1107 N THR A 70 17.498 -7.046 -23.800 1.00 0.00 N ATOM 1108 CA THR A 70 17.664 -8.401 -24.306 1.00 0.00 C ATOM 1109 C THR A 70 17.079 -9.430 -23.327 1.00 0.00 C ATOM 1110 O THR A 70 16.706 -10.520 -23.767 1.00 0.00 O ATOM 1111 CB THR A 70 19.147 -8.636 -24.661 1.00 0.00 C ATOM 1112 OG1 THR A 70 20.019 -8.218 -23.631 1.00 0.00 O ATOM 1113 CG2 THR A 70 19.524 -7.800 -25.892 1.00 0.00 C ATOM 0 H THR A 70 18.003 -6.883 -22.929 1.00 0.00 H new ATOM 0 HA THR A 70 17.095 -8.533 -25.226 1.00 0.00 H new ATOM 0 HB THR A 70 19.253 -9.707 -24.831 1.00 0.00 H new ATOM 0 HG1 THR A 70 20.083 -8.921 -22.951 1.00 0.00 H new ATOM 0 HG21 THR A 70 20.572 -7.969 -26.139 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.900 -8.094 -26.736 1.00 0.00 H new ATOM 0 HG23 THR A 70 19.368 -6.743 -25.676 1.00 0.00 H new ATOM 1121 N ASP A 71 16.894 -9.084 -22.044 1.00 0.00 N ATOM 1122 CA ASP A 71 16.067 -9.844 -21.101 1.00 0.00 C ATOM 1123 C ASP A 71 15.656 -8.935 -19.935 1.00 0.00 C ATOM 1124 O ASP A 71 16.287 -7.906 -19.692 1.00 0.00 O ATOM 1125 CB ASP A 71 16.815 -11.086 -20.579 1.00 0.00 C ATOM 1126 CG ASP A 71 15.919 -12.003 -19.728 1.00 0.00 C ATOM 1127 OD1 ASP A 71 14.714 -12.138 -20.036 1.00 0.00 O ATOM 1128 OD2 ASP A 71 16.430 -12.620 -18.767 1.00 0.00 O ATOM 0 H ASP A 71 17.322 -8.256 -21.629 1.00 0.00 H new ATOM 0 HA ASP A 71 15.175 -10.192 -21.621 1.00 0.00 H new ATOM 0 HB2 ASP A 71 17.208 -11.651 -21.424 1.00 0.00 H new ATOM 0 HB3 ASP A 71 17.671 -10.767 -19.984 1.00 0.00 H new ATOM 1133 N ILE A 72 14.611 -9.309 -19.200 1.00 0.00 N ATOM 1134 CA ILE A 72 14.107 -8.602 -18.027 1.00 0.00 C ATOM 1135 C ILE A 72 13.639 -9.650 -17.004 1.00 0.00 C ATOM 1136 O ILE A 72 13.128 -10.708 -17.384 1.00 0.00 O ATOM 1137 CB ILE A 72 13.018 -7.580 -18.451 1.00 0.00 C ATOM 1138 CG1 ILE A 72 12.460 -6.811 -17.231 1.00 0.00 C ATOM 1139 CG2 ILE A 72 11.876 -8.214 -19.276 1.00 0.00 C ATOM 1140 CD1 ILE A 72 11.647 -5.562 -17.596 1.00 0.00 C ATOM 0 H ILE A 72 14.071 -10.147 -19.415 1.00 0.00 H new ATOM 0 HA ILE A 72 14.882 -8.006 -17.544 1.00 0.00 H new ATOM 0 HB ILE A 72 13.515 -6.868 -19.109 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.831 -7.483 -16.648 1.00 0.00 H new ATOM 0 HG13 ILE A 72 13.291 -6.516 -16.590 1.00 0.00 H new ATOM 0 HG21 ILE A 72 11.149 -7.446 -19.540 1.00 0.00 H new ATOM 0 HG22 ILE A 72 12.285 -8.655 -20.185 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.387 -8.989 -18.685 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.292 -5.080 -16.685 1.00 0.00 H new ATOM 0 HD12 ILE A 72 12.277 -4.867 -18.152 1.00 0.00 H new ATOM 0 HD13 ILE A 72 10.794 -5.850 -18.211 1.00 0.00 H new ATOM 1152 N SER A 73 13.805 -9.354 -15.715 1.00 0.00 N ATOM 1153 CA SER A 73 13.529 -10.252 -14.596 1.00 0.00 C ATOM 1154 C SER A 73 12.837 -9.446 -13.497 1.00 0.00 C ATOM 1155 O SER A 73 13.140 -8.263 -13.344 1.00 0.00 O ATOM 1156 CB SER A 73 14.855 -10.832 -14.072 1.00 0.00 C ATOM 1157 OG SER A 73 15.626 -11.426 -15.109 1.00 0.00 O ATOM 0 H SER A 73 14.150 -8.444 -15.410 1.00 0.00 H new ATOM 0 HA SER A 73 12.887 -11.074 -14.911 1.00 0.00 H new ATOM 0 HB2 SER A 73 15.435 -10.040 -13.598 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.646 -11.577 -13.304 1.00 0.00 H new ATOM 0 HG SER A 73 16.460 -11.780 -14.735 1.00 0.00 H new ATOM 1163 N VAL A 74 11.926 -10.056 -12.734 1.00 0.00 N ATOM 1164 CA VAL A 74 11.079 -9.369 -11.758 1.00 0.00 C ATOM 1165 C VAL A 74 10.938 -10.249 -10.507 1.00 0.00 C ATOM 1166 O VAL A 74 10.838 -11.474 -10.615 1.00 0.00 O ATOM 1167 CB VAL A 74 9.692 -9.064 -12.386 1.00 0.00 C ATOM 1168 CG1 VAL A 74 8.780 -8.271 -11.433 1.00 0.00 C ATOM 1169 CG2 VAL A 74 9.796 -8.303 -13.719 1.00 0.00 C ATOM 0 H VAL A 74 11.754 -11.060 -12.779 1.00 0.00 H new ATOM 0 HA VAL A 74 11.534 -8.421 -11.470 1.00 0.00 H new ATOM 0 HB VAL A 74 9.249 -10.042 -12.575 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.822 -8.083 -11.918 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.618 -8.846 -10.522 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.253 -7.321 -11.183 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.796 -8.118 -14.111 1.00 0.00 H new ATOM 0 HG22 VAL A 74 10.304 -7.352 -13.557 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.362 -8.899 -14.435 1.00 0.00 H new ATOM 1179 N THR A 75 10.861 -9.612 -9.338 1.00 0.00 N ATOM 1180 CA THR A 75 10.371 -10.182 -8.088 1.00 0.00 C ATOM 1181 C THR A 75 9.404 -9.143 -7.512 1.00 0.00 C ATOM 1182 O THR A 75 9.696 -7.949 -7.574 1.00 0.00 O ATOM 1183 CB THR A 75 11.540 -10.443 -7.113 1.00 0.00 C ATOM 1184 OG1 THR A 75 12.653 -11.025 -7.771 1.00 0.00 O ATOM 1185 CG2 THR A 75 11.131 -11.375 -5.967 1.00 0.00 C ATOM 0 H THR A 75 11.153 -8.640 -9.235 1.00 0.00 H new ATOM 0 HA THR A 75 9.879 -11.141 -8.248 1.00 0.00 H new ATOM 0 HB THR A 75 11.814 -9.467 -6.713 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.374 -11.174 -7.124 1.00 0.00 H new ATOM 0 HG21 THR A 75 11.982 -11.532 -5.305 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.313 -10.924 -5.406 1.00 0.00 H new ATOM 0 HG23 THR A 75 10.807 -12.332 -6.375 1.00 0.00 H new ATOM 1193 N GLU A 76 8.272 -9.567 -6.953 1.00 0.00 N ATOM 1194 CA GLU A 76 7.283 -8.679 -6.343 1.00 0.00 C ATOM 1195 C GLU A 76 7.165 -9.077 -4.872 1.00 0.00 C ATOM 1196 O GLU A 76 7.230 -10.270 -4.549 1.00 0.00 O ATOM 1197 CB GLU A 76 5.928 -8.798 -7.061 1.00 0.00 C ATOM 1198 CG GLU A 76 5.992 -8.403 -8.543 1.00 0.00 C ATOM 1199 CD GLU A 76 4.608 -8.488 -9.206 1.00 0.00 C ATOM 1200 OE1 GLU A 76 4.222 -9.581 -9.684 1.00 0.00 O ATOM 1201 OE2 GLU A 76 3.895 -7.462 -9.272 1.00 0.00 O ATOM 0 H GLU A 76 8.012 -10.552 -6.910 1.00 0.00 H new ATOM 0 HA GLU A 76 7.594 -7.638 -6.429 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.570 -9.825 -6.980 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.199 -8.166 -6.554 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.379 -7.388 -8.634 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.689 -9.058 -9.066 1.00 0.00 H new ATOM 1208 N SER A 77 7.008 -8.095 -3.984 1.00 0.00 N ATOM 1209 CA SER A 77 7.210 -8.290 -2.555 1.00 0.00 C ATOM 1210 C SER A 77 6.242 -7.396 -1.782 1.00 0.00 C ATOM 1211 O SER A 77 6.134 -6.198 -2.055 1.00 0.00 O ATOM 1212 CB SER A 77 8.670 -7.956 -2.173 1.00 0.00 C ATOM 1213 OG SER A 77 9.599 -8.049 -3.243 1.00 0.00 O ATOM 0 H SER A 77 6.738 -7.145 -4.238 1.00 0.00 H new ATOM 0 HA SER A 77 7.018 -9.332 -2.301 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.703 -6.945 -1.768 1.00 0.00 H new ATOM 0 HB3 SER A 77 8.986 -8.629 -1.376 1.00 0.00 H new ATOM 0 HG SER A 77 9.982 -7.165 -3.421 1.00 0.00 H new ATOM 1219 N ARG A 78 5.575 -7.944 -0.764 1.00 0.00 N ATOM 1220 CA ARG A 78 4.800 -7.159 0.203 1.00 0.00 C ATOM 1221 C ARG A 78 5.754 -6.703 1.312 1.00 0.00 C ATOM 1222 O ARG A 78 5.539 -6.983 2.493 1.00 0.00 O ATOM 1223 CB ARG A 78 3.592 -7.968 0.709 1.00 0.00 C ATOM 1224 CG ARG A 78 2.597 -8.259 -0.427 1.00 0.00 C ATOM 1225 CD ARG A 78 1.350 -8.979 0.102 1.00 0.00 C ATOM 1226 NE ARG A 78 0.404 -9.291 -0.984 1.00 0.00 N ATOM 1227 CZ ARG A 78 -0.536 -8.477 -1.484 1.00 0.00 C ATOM 1228 NH1 ARG A 78 -0.698 -7.246 -1.004 1.00 0.00 N ATOM 1229 NH2 ARG A 78 -1.315 -8.903 -2.473 1.00 0.00 N ATOM 0 H ARG A 78 5.556 -8.948 -0.585 1.00 0.00 H new ATOM 0 HA ARG A 78 4.372 -6.268 -0.256 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.937 -8.907 1.142 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.089 -7.416 1.503 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.305 -7.325 -0.907 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.079 -8.872 -1.189 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.646 -9.900 0.604 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.857 -8.355 0.847 1.00 0.00 H new ATOM 0 HE ARG A 78 0.471 -10.221 -1.397 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.103 -6.912 -0.246 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.417 -6.637 -1.394 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.196 -9.844 -2.847 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.032 -8.289 -2.858 1.00 0.00 H new ATOM 1243 N SER A 79 6.843 -6.051 0.907 1.00 0.00 N ATOM 1244 CA SER A 79 8.013 -5.782 1.730 1.00 0.00 C ATOM 1245 C SER A 79 8.442 -4.349 1.429 1.00 0.00 C ATOM 1246 O SER A 79 9.067 -4.080 0.403 1.00 0.00 O ATOM 1247 CB SER A 79 9.119 -6.805 1.422 1.00 0.00 C ATOM 1248 OG SER A 79 8.615 -8.134 1.468 1.00 0.00 O ATOM 0 H SER A 79 6.934 -5.683 -0.040 1.00 0.00 H new ATOM 0 HA SER A 79 7.796 -5.880 2.794 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.538 -6.606 0.436 1.00 0.00 H new ATOM 0 HB3 SER A 79 9.930 -6.695 2.141 1.00 0.00 H new ATOM 0 HG SER A 79 9.337 -8.765 1.267 1.00 0.00 H new ATOM 1254 N LEU A 80 8.001 -3.412 2.268 1.00 0.00 N ATOM 1255 CA LEU A 80 8.212 -1.988 2.053 1.00 0.00 C ATOM 1256 C LEU A 80 9.692 -1.661 2.283 1.00 0.00 C ATOM 1257 O LEU A 80 10.331 -2.218 3.181 1.00 0.00 O ATOM 1258 CB LEU A 80 7.321 -1.153 2.998 1.00 0.00 C ATOM 1259 CG LEU A 80 5.785 -1.261 2.837 1.00 0.00 C ATOM 1260 CD1 LEU A 80 5.308 -1.067 1.392 1.00 0.00 C ATOM 1261 CD2 LEU A 80 5.197 -2.571 3.382 1.00 0.00 C ATOM 0 H LEU A 80 7.484 -3.625 3.121 1.00 0.00 H new ATOM 0 HA LEU A 80 7.938 -1.735 1.029 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.569 -1.431 4.022 1.00 0.00 H new ATOM 0 HB3 LEU A 80 7.596 -0.105 2.876 1.00 0.00 H new ATOM 0 HG LEU A 80 5.410 -0.436 3.444 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.222 -1.155 1.352 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.605 -0.079 1.040 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.758 -1.829 0.755 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.117 -2.574 3.234 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.638 -3.416 2.853 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.418 -2.654 4.446 1.00 0.00 H new ATOM 1273 N GLU A 81 10.219 -0.718 1.505 1.00 0.00 N ATOM 1274 CA GLU A 81 11.528 -0.108 1.710 1.00 0.00 C ATOM 1275 C GLU A 81 11.426 1.089 2.668 1.00 0.00 C ATOM 1276 O GLU A 81 12.440 1.523 3.218 1.00 0.00 O ATOM 1277 CB GLU A 81 12.097 0.379 0.366 1.00 0.00 C ATOM 1278 CG GLU A 81 12.267 -0.707 -0.696 1.00 0.00 C ATOM 1279 CD GLU A 81 13.065 -1.911 -0.167 1.00 0.00 C ATOM 1280 OE1 GLU A 81 14.279 -1.773 0.107 1.00 0.00 O ATOM 1281 OE2 GLU A 81 12.472 -2.999 -0.014 1.00 0.00 O ATOM 0 H GLU A 81 9.731 -0.347 0.690 1.00 0.00 H new ATOM 0 HA GLU A 81 12.187 -0.860 2.144 1.00 0.00 H new ATOM 0 HB2 GLU A 81 11.440 1.153 -0.030 1.00 0.00 H new ATOM 0 HB3 GLU A 81 13.066 0.844 0.546 1.00 0.00 H new ATOM 0 HG2 GLU A 81 11.286 -1.042 -1.032 1.00 0.00 H new ATOM 0 HG3 GLU A 81 12.776 -0.288 -1.564 1.00 0.00 H new ATOM 1288 N GLY A 82 10.224 1.651 2.847 1.00 0.00 N ATOM 1289 CA GLY A 82 9.969 2.798 3.714 1.00 0.00 C ATOM 1290 C GLY A 82 10.665 4.077 3.232 1.00 0.00 C ATOM 1291 O GLY A 82 10.828 5.016 4.015 1.00 0.00 O ATOM 0 H GLY A 82 9.384 1.309 2.380 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.895 2.974 3.769 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.306 2.566 4.724 1.00 0.00 H new ATOM 1295 N HIS A 83 11.115 4.108 1.973 1.00 0.00 N ATOM 1296 CA HIS A 83 11.774 5.258 1.369 1.00 0.00 C ATOM 1297 C HIS A 83 10.753 6.373 1.101 1.00 0.00 C ATOM 1298 O HIS A 83 9.545 6.127 1.045 1.00 0.00 O ATOM 1299 CB HIS A 83 12.478 4.813 0.076 1.00 0.00 C ATOM 1300 CG HIS A 83 13.770 4.058 0.297 1.00 0.00 C ATOM 1301 ND1 HIS A 83 14.077 3.201 1.334 1.00 0.00 N ATOM 1302 CD2 HIS A 83 14.881 4.134 -0.501 1.00 0.00 C ATOM 1303 CE1 HIS A 83 15.338 2.771 1.158 1.00 0.00 C ATOM 1304 NE2 HIS A 83 15.876 3.317 0.051 1.00 0.00 N ATOM 0 H HIS A 83 11.027 3.315 1.337 1.00 0.00 H new ATOM 0 HA HIS A 83 12.524 5.659 2.051 1.00 0.00 H new ATOM 0 HB2 HIS A 83 11.797 4.183 -0.496 1.00 0.00 H new ATOM 0 HB3 HIS A 83 12.685 5.693 -0.532 1.00 0.00 H new ATOM 0 HD1 HIS A 83 13.456 2.940 2.100 1.00 0.00 H new ATOM 0 HD2 HIS A 83 14.974 4.723 -1.401 1.00 0.00 H new ATOM 0 HE1 HIS A 83 15.849 2.082 1.814 1.00 0.00 H new ATOM 1312 N HIS A 84 11.252 7.594 0.884 1.00 0.00 N ATOM 1313 CA HIS A 84 10.442 8.788 0.628 1.00 0.00 C ATOM 1314 C HIS A 84 10.960 9.569 -0.597 1.00 0.00 C ATOM 1315 O HIS A 84 10.516 10.688 -0.864 1.00 0.00 O ATOM 1316 CB HIS A 84 10.400 9.633 1.916 1.00 0.00 C ATOM 1317 CG HIS A 84 9.303 10.671 1.949 1.00 0.00 C ATOM 1318 ND1 HIS A 84 9.462 12.040 1.921 1.00 0.00 N ATOM 1319 CD2 HIS A 84 7.957 10.426 2.038 1.00 0.00 C ATOM 1320 CE1 HIS A 84 8.245 12.605 1.982 1.00 0.00 C ATOM 1321 NE2 HIS A 84 7.288 11.659 2.057 1.00 0.00 N ATOM 0 H HIS A 84 12.254 7.783 0.882 1.00 0.00 H new ATOM 0 HA HIS A 84 9.421 8.504 0.372 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.277 8.966 2.769 1.00 0.00 H new ATOM 0 HB3 HIS A 84 11.360 10.134 2.038 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.492 9.452 2.085 1.00 0.00 H new ATOM 0 HE1 HIS A 84 8.059 13.669 1.972 1.00 0.00 H new ATOM 0 HE2 HIS A 84 6.281 11.809 2.116 1.00 0.00 H new ATOM 1329 N ARG A 85 11.894 8.990 -1.362 1.00 0.00 N ATOM 1330 CA ARG A 85 12.413 9.532 -2.616 1.00 0.00 C ATOM 1331 C ARG A 85 12.783 8.362 -3.521 1.00 0.00 C ATOM 1332 O ARG A 85 12.923 7.235 -3.032 1.00 0.00 O ATOM 1333 CB ARG A 85 13.627 10.449 -2.347 1.00 0.00 C ATOM 1334 CG ARG A 85 14.923 9.690 -1.991 1.00 0.00 C ATOM 1335 CD ARG A 85 16.056 10.605 -1.506 1.00 0.00 C ATOM 1336 NE ARG A 85 16.320 11.741 -2.410 1.00 0.00 N ATOM 1337 CZ ARG A 85 17.159 11.763 -3.455 1.00 0.00 C ATOM 1338 NH1 ARG A 85 17.768 10.660 -3.881 1.00 0.00 N ATOM 1339 NH2 ARG A 85 17.395 12.917 -4.072 1.00 0.00 N ATOM 0 H ARG A 85 12.322 8.099 -1.112 1.00 0.00 H new ATOM 0 HA ARG A 85 11.657 10.144 -3.109 1.00 0.00 H new ATOM 0 HB2 ARG A 85 13.808 11.062 -3.230 1.00 0.00 H new ATOM 0 HB3 ARG A 85 13.381 11.129 -1.532 1.00 0.00 H new ATOM 0 HG2 ARG A 85 14.703 8.956 -1.216 1.00 0.00 H new ATOM 0 HG3 ARG A 85 15.263 9.137 -2.867 1.00 0.00 H new ATOM 0 HD2 ARG A 85 15.805 10.988 -0.517 1.00 0.00 H new ATOM 0 HD3 ARG A 85 16.967 10.017 -1.398 1.00 0.00 H new ATOM 0 HE ARG A 85 15.809 12.603 -2.219 1.00 0.00 H new ATOM 0 HH11 ARG A 85 17.601 9.771 -3.410 1.00 0.00 H new ATOM 0 HH12 ARG A 85 18.402 10.703 -4.679 1.00 0.00 H new ATOM 0 HH21 ARG A 85 16.940 13.771 -3.749 1.00 0.00 H new ATOM 0 HH22 ARG A 85 18.031 12.949 -4.869 1.00 0.00 H new ATOM 1353 N PHE A 86 12.990 8.622 -4.808 1.00 0.00 N ATOM 1354 CA PHE A 86 13.700 7.697 -5.679 1.00 0.00 C ATOM 1355 C PHE A 86 15.164 8.158 -5.748 1.00 0.00 C ATOM 1356 O PHE A 86 15.426 9.357 -5.610 1.00 0.00 O ATOM 1357 CB PHE A 86 13.019 7.637 -7.057 1.00 0.00 C ATOM 1358 CG PHE A 86 13.181 6.293 -7.742 1.00 0.00 C ATOM 1359 CD1 PHE A 86 12.557 5.149 -7.216 1.00 0.00 C ATOM 1360 CD2 PHE A 86 13.941 6.181 -8.914 1.00 0.00 C ATOM 1361 CE1 PHE A 86 12.745 3.894 -7.818 1.00 0.00 C ATOM 1362 CE2 PHE A 86 14.130 4.930 -9.526 1.00 0.00 C ATOM 1363 CZ PHE A 86 13.540 3.782 -8.971 1.00 0.00 C ATOM 0 H PHE A 86 12.673 9.473 -5.272 1.00 0.00 H new ATOM 0 HA PHE A 86 13.675 6.679 -5.290 1.00 0.00 H new ATOM 0 HB2 PHE A 86 11.957 7.853 -6.941 1.00 0.00 H new ATOM 0 HB3 PHE A 86 13.435 8.416 -7.696 1.00 0.00 H new ATOM 0 HD1 PHE A 86 11.928 5.235 -6.342 1.00 0.00 H new ATOM 0 HD2 PHE A 86 14.385 7.063 -9.351 1.00 0.00 H new ATOM 0 HE1 PHE A 86 12.279 3.016 -7.395 1.00 0.00 H new ATOM 0 HE2 PHE A 86 14.728 4.851 -10.422 1.00 0.00 H new ATOM 0 HZ PHE A 86 13.697 2.817 -9.429 1.00 0.00 H new ATOM 1373 N SER A 87 16.106 7.232 -5.953 1.00 0.00 N ATOM 1374 CA SER A 87 17.542 7.520 -5.947 1.00 0.00 C ATOM 1375 C SER A 87 18.269 6.795 -7.088 1.00 0.00 C ATOM 1376 O SER A 87 17.750 5.823 -7.645 1.00 0.00 O ATOM 1377 CB SER A 87 18.119 7.104 -4.584 1.00 0.00 C ATOM 1378 OG SER A 87 17.506 7.819 -3.518 1.00 0.00 O ATOM 0 H SER A 87 15.890 6.251 -6.130 1.00 0.00 H new ATOM 0 HA SER A 87 17.692 8.588 -6.105 1.00 0.00 H new ATOM 0 HB2 SER A 87 17.973 6.034 -4.437 1.00 0.00 H new ATOM 0 HB3 SER A 87 19.194 7.283 -4.573 1.00 0.00 H new ATOM 0 HG SER A 87 18.181 8.045 -2.845 1.00 0.00 H new ATOM 1384 N ILE A 88 19.476 7.252 -7.435 1.00 0.00 N ATOM 1385 CA ILE A 88 20.410 6.524 -8.297 1.00 0.00 C ATOM 1386 C ILE A 88 21.547 6.083 -7.371 1.00 0.00 C ATOM 1387 O ILE A 88 21.997 6.863 -6.526 1.00 0.00 O ATOM 1388 CB ILE A 88 20.932 7.371 -9.491 1.00 0.00 C ATOM 1389 CG1 ILE A 88 19.794 8.066 -10.267 1.00 0.00 C ATOM 1390 CG2 ILE A 88 21.710 6.465 -10.466 1.00 0.00 C ATOM 1391 CD1 ILE A 88 20.234 8.936 -11.450 1.00 0.00 C ATOM 0 H ILE A 88 19.837 8.152 -7.119 1.00 0.00 H new ATOM 0 HA ILE A 88 19.915 5.678 -8.774 1.00 0.00 H new ATOM 0 HB ILE A 88 21.577 8.145 -9.075 1.00 0.00 H new ATOM 0 HG12 ILE A 88 19.110 7.301 -10.636 1.00 0.00 H new ATOM 0 HG13 ILE A 88 19.231 8.688 -9.571 1.00 0.00 H new ATOM 0 HG21 ILE A 88 22.075 7.060 -11.303 1.00 0.00 H new ATOM 0 HG22 ILE A 88 22.555 6.012 -9.947 1.00 0.00 H new ATOM 0 HG23 ILE A 88 21.051 5.681 -10.839 1.00 0.00 H new ATOM 0 HD11 ILE A 88 19.357 9.376 -11.924 1.00 0.00 H new ATOM 0 HD12 ILE A 88 20.891 9.730 -11.094 1.00 0.00 H new ATOM 0 HD13 ILE A 88 20.768 8.321 -12.175 1.00 0.00 H new ATOM 1403 N VAL A 89 21.996 4.838 -7.512 1.00 0.00 N ATOM 1404 CA VAL A 89 22.965 4.193 -6.632 1.00 0.00 C ATOM 1405 C VAL A 89 24.003 3.496 -7.526 1.00 0.00 C ATOM 1406 O VAL A 89 23.693 3.107 -8.653 1.00 0.00 O ATOM 1407 CB VAL A 89 22.194 3.237 -5.683 1.00 0.00 C ATOM 1408 CG1 VAL A 89 23.114 2.461 -4.730 1.00 0.00 C ATOM 1409 CG2 VAL A 89 21.154 3.987 -4.829 1.00 0.00 C ATOM 0 H VAL A 89 21.684 4.230 -8.269 1.00 0.00 H new ATOM 0 HA VAL A 89 23.506 4.892 -5.994 1.00 0.00 H new ATOM 0 HB VAL A 89 21.697 2.532 -6.349 1.00 0.00 H new ATOM 0 HG11 VAL A 89 22.514 1.811 -4.094 1.00 0.00 H new ATOM 0 HG12 VAL A 89 23.812 1.857 -5.310 1.00 0.00 H new ATOM 0 HG13 VAL A 89 23.670 3.163 -4.109 1.00 0.00 H new ATOM 0 HG21 VAL A 89 20.638 3.280 -4.180 1.00 0.00 H new ATOM 0 HG22 VAL A 89 21.657 4.738 -4.220 1.00 0.00 H new ATOM 0 HG23 VAL A 89 20.430 4.475 -5.482 1.00 0.00 H new ATOM 1419 N TYR A 90 25.238 3.336 -7.035 1.00 0.00 N ATOM 1420 CA TYR A 90 26.357 2.780 -7.804 1.00 0.00 C ATOM 1421 C TYR A 90 27.177 1.763 -6.988 1.00 0.00 C ATOM 1422 O TYR A 90 28.262 1.358 -7.412 1.00 0.00 O ATOM 1423 CB TYR A 90 27.232 3.933 -8.329 1.00 0.00 C ATOM 1424 CG TYR A 90 26.553 4.842 -9.340 1.00 0.00 C ATOM 1425 CD1 TYR A 90 26.476 4.448 -10.690 1.00 0.00 C ATOM 1426 CD2 TYR A 90 26.016 6.084 -8.945 1.00 0.00 C ATOM 1427 CE1 TYR A 90 25.880 5.290 -11.644 1.00 0.00 C ATOM 1428 CE2 TYR A 90 25.416 6.932 -9.895 1.00 0.00 C ATOM 1429 CZ TYR A 90 25.350 6.540 -11.253 1.00 0.00 C ATOM 1430 OH TYR A 90 24.792 7.360 -12.188 1.00 0.00 O ATOM 0 H TYR A 90 25.491 3.592 -6.081 1.00 0.00 H new ATOM 0 HA TYR A 90 25.955 2.224 -8.651 1.00 0.00 H new ATOM 0 HB2 TYR A 90 27.559 4.536 -7.482 1.00 0.00 H new ATOM 0 HB3 TYR A 90 28.128 3.511 -8.785 1.00 0.00 H new ATOM 0 HD1 TYR A 90 26.878 3.493 -10.994 1.00 0.00 H new ATOM 0 HD2 TYR A 90 26.065 6.386 -7.909 1.00 0.00 H new ATOM 0 HE1 TYR A 90 25.827 4.981 -12.678 1.00 0.00 H new ATOM 0 HE2 TYR A 90 25.006 7.882 -9.587 1.00 0.00 H new ATOM 0 HH TYR A 90 24.474 8.180 -11.756 1.00 0.00 H new ATOM 1440 N SER A 91 26.686 1.365 -5.808 1.00 0.00 N ATOM 1441 CA SER A 91 27.301 0.358 -4.951 1.00 0.00 C ATOM 1442 C SER A 91 27.511 -0.947 -5.722 1.00 0.00 C ATOM 1443 O SER A 91 26.569 -1.387 -6.419 1.00 0.00 O ATOM 1444 CB SER A 91 26.423 0.136 -3.713 1.00 0.00 C ATOM 1445 OG SER A 91 26.058 1.383 -3.131 1.00 0.00 O ATOM 1446 OXT SER A 91 28.608 -1.535 -5.616 1.00 0.00 O ATOM 0 H SER A 91 25.826 1.749 -5.417 1.00 0.00 H new ATOM 0 HA SER A 91 28.280 0.709 -4.626 1.00 0.00 H new ATOM 0 HB2 SER A 91 25.527 -0.419 -3.990 1.00 0.00 H new ATOM 0 HB3 SER A 91 26.960 -0.470 -2.983 1.00 0.00 H new ATOM 0 HG SER A 91 25.497 1.225 -2.343 1.00 0.00 H new TER 1452 SER A 91