USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 750 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 80 SER OG : rot 180:sc= -0.561 USER MOD Set 1.2: A 87 SER OG : rot 170:sc= 0.191 USER MOD Set 2.1: A 37 HIS : no HD1:sc= -8.88! C(o=-10!,f=-12!) USER MOD Set 2.2: A 57 GLN : amide:sc= -1.15 K(o=-10,f=-7.8) USER MOD Set 3.1: A 21 THR OG1 : rot 146:sc= 0.0982 USER MOD Set 3.2: A 24 THR OG1 : rot 180:sc= -0.388 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HE2:sc= -0.899 X(o=-0.9,f=-1) USER MOD Single : A 28 THR OG1 : rot -11:sc= 0.674 USER MOD Single : A 30 GLN : amide:sc= -1.31 K(o=-1.3,f=-4.4!) USER MOD Single : A 32 SER OG : rot 81:sc= 0.00497 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 30:sc= 0.256 USER MOD Single : A 42 CYS SG : rot 180:sc= -0.917 USER MOD Single : A 43 SER OG : rot 180:sc= -0.811 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 160:sc= -0.0324 (180deg=-0.255) USER MOD Single : A 74 TYR OH : rot 30:sc= 0.00867 USER MOD Single : A 77 SER OG : rot -150:sc= -0.159 USER MOD Single : A 79 GLN : amide:sc= -3.65! C(o=-3.6!,f=-4.1!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 37:sc= 0.899 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.002 -24.884 0.500 1.00 0.00 N ATOM 2 CA GLY A 1 -12.645 -24.853 1.906 1.00 0.00 C ATOM 3 C GLY A 1 -11.154 -25.007 2.130 1.00 0.00 C ATOM 4 O GLY A 1 -10.553 -24.253 2.894 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.031 -24.775 0.401 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.522 -24.107 0.003 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.709 -25.792 0.087 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.979 -23.911 2.342 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.172 -25.651 2.429 1.00 0.00 H new ATOM 8 N SER A 2 -10.556 -25.989 1.463 1.00 0.00 N ATOM 9 CA SER A 2 -9.126 -26.244 1.597 1.00 0.00 C ATOM 10 C SER A 2 -8.516 -26.636 0.254 1.00 0.00 C ATOM 11 O SER A 2 -8.970 -27.579 -0.394 1.00 0.00 O ATOM 12 CB SER A 2 -8.878 -27.349 2.625 1.00 0.00 C ATOM 13 OG SER A 2 -7.517 -27.744 2.631 1.00 0.00 O ATOM 0 H SER A 2 -11.039 -26.621 0.825 1.00 0.00 H new ATOM 0 HA SER A 2 -8.648 -25.326 1.939 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.162 -26.998 3.617 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.508 -28.209 2.399 1.00 0.00 H new ATOM 0 HG SER A 2 -7.384 -28.450 3.297 1.00 0.00 H new ATOM 19 N SER A 3 -7.485 -25.905 -0.156 1.00 0.00 N ATOM 20 CA SER A 3 -6.814 -26.173 -1.422 1.00 0.00 C ATOM 21 C SER A 3 -5.319 -26.391 -1.210 1.00 0.00 C ATOM 22 O SER A 3 -4.762 -27.405 -1.628 1.00 0.00 O ATOM 23 CB SER A 3 -7.038 -25.016 -2.398 1.00 0.00 C ATOM 24 OG SER A 3 -8.292 -25.133 -3.048 1.00 0.00 O ATOM 0 H SER A 3 -7.096 -25.122 0.370 1.00 0.00 H new ATOM 0 HA SER A 3 -7.240 -27.083 -1.844 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.990 -24.069 -1.861 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.240 -25.002 -3.140 1.00 0.00 H new ATOM 0 HG SER A 3 -8.412 -24.381 -3.665 1.00 0.00 H new ATOM 30 N GLY A 4 -4.674 -25.430 -0.556 1.00 0.00 N ATOM 31 CA GLY A 4 -3.250 -25.534 -0.298 1.00 0.00 C ATOM 32 C GLY A 4 -2.489 -24.297 -0.734 1.00 0.00 C ATOM 33 O GLY A 4 -2.831 -23.671 -1.737 1.00 0.00 O ATOM 0 H GLY A 4 -5.113 -24.581 -0.200 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.088 -25.700 0.767 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.852 -26.404 -0.820 1.00 0.00 H new ATOM 37 N SER A 5 -1.456 -23.942 0.024 1.00 0.00 N ATOM 38 CA SER A 5 -0.649 -22.768 -0.286 1.00 0.00 C ATOM 39 C SER A 5 -0.068 -22.864 -1.694 1.00 0.00 C ATOM 40 O SER A 5 -0.244 -21.962 -2.512 1.00 0.00 O ATOM 41 CB SER A 5 0.480 -22.616 0.735 1.00 0.00 C ATOM 42 OG SER A 5 -0.035 -22.448 2.044 1.00 0.00 O ATOM 0 H SER A 5 -1.159 -24.451 0.857 1.00 0.00 H new ATOM 0 HA SER A 5 -1.294 -21.891 -0.237 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.123 -23.495 0.704 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.099 -21.759 0.472 1.00 0.00 H new ATOM 0 HG SER A 5 0.707 -22.355 2.678 1.00 0.00 H new ATOM 48 N SER A 6 0.624 -23.965 -1.967 1.00 0.00 N ATOM 49 CA SER A 6 1.235 -24.179 -3.274 1.00 0.00 C ATOM 50 C SER A 6 2.021 -22.948 -3.714 1.00 0.00 C ATOM 51 O SER A 6 1.910 -22.502 -4.856 1.00 0.00 O ATOM 52 CB SER A 6 0.163 -24.512 -4.313 1.00 0.00 C ATOM 53 OG SER A 6 -0.319 -25.834 -4.143 1.00 0.00 O ATOM 0 H SER A 6 0.776 -24.723 -1.301 1.00 0.00 H new ATOM 0 HA SER A 6 1.925 -25.019 -3.192 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.663 -23.806 -4.227 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.576 -24.398 -5.315 1.00 0.00 H new ATOM 0 HG SER A 6 -1.004 -26.022 -4.818 1.00 0.00 H new ATOM 59 N GLY A 7 2.816 -22.402 -2.799 1.00 0.00 N ATOM 60 CA GLY A 7 3.610 -21.228 -3.111 1.00 0.00 C ATOM 61 C GLY A 7 4.055 -20.482 -1.868 1.00 0.00 C ATOM 62 O GLY A 7 3.361 -19.596 -1.368 1.00 0.00 O ATOM 0 H GLY A 7 2.924 -22.752 -1.847 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.487 -21.528 -3.684 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.029 -20.558 -3.745 1.00 0.00 H new ATOM 66 N PRO A 8 5.237 -20.843 -1.348 1.00 0.00 N ATOM 67 CA PRO A 8 5.800 -20.215 -0.149 1.00 0.00 C ATOM 68 C PRO A 8 6.238 -18.777 -0.399 1.00 0.00 C ATOM 69 O PRO A 8 7.338 -18.529 -0.897 1.00 0.00 O ATOM 70 CB PRO A 8 7.010 -21.094 0.177 1.00 0.00 C ATOM 71 CG PRO A 8 7.397 -21.704 -1.126 1.00 0.00 C ATOM 72 CD PRO A 8 6.117 -21.892 -1.892 1.00 0.00 C ATOM 0 HA PRO A 8 5.071 -20.153 0.659 1.00 0.00 H new ATOM 0 HB2 PRO A 8 7.826 -20.505 0.596 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.758 -21.858 0.912 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.086 -21.058 -1.670 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.905 -22.657 -0.975 1.00 0.00 H new ATOM 0 HD2 PRO A 8 6.269 -21.772 -2.965 1.00 0.00 H new ATOM 0 HD3 PRO A 8 5.699 -22.887 -1.738 1.00 0.00 H new ATOM 80 N LEU A 9 5.373 -17.830 -0.051 1.00 0.00 N ATOM 81 CA LEU A 9 5.672 -16.415 -0.238 1.00 0.00 C ATOM 82 C LEU A 9 5.151 -15.589 0.934 1.00 0.00 C ATOM 83 O LEU A 9 3.952 -15.341 1.067 1.00 0.00 O ATOM 84 CB LEU A 9 5.056 -15.911 -1.545 1.00 0.00 C ATOM 85 CG LEU A 9 5.800 -14.772 -2.242 1.00 0.00 C ATOM 86 CD1 LEU A 9 7.164 -15.240 -2.723 1.00 0.00 C ATOM 87 CD2 LEU A 9 4.979 -14.232 -3.404 1.00 0.00 C ATOM 0 H LEU A 9 4.459 -18.017 0.362 1.00 0.00 H new ATOM 0 HA LEU A 9 6.755 -16.301 -0.286 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.986 -16.750 -2.237 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.038 -15.581 -1.340 1.00 0.00 H new ATOM 0 HG LEU A 9 5.949 -13.967 -1.522 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.678 -14.415 -3.216 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.754 -15.578 -1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.039 -16.063 -3.427 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.524 -13.422 -3.889 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.799 -15.030 -4.124 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.025 -13.857 -3.032 1.00 0.00 H new ATOM 99 N PRO A 10 6.072 -15.151 1.805 1.00 0.00 N ATOM 100 CA PRO A 10 5.730 -14.344 2.980 1.00 0.00 C ATOM 101 C PRO A 10 5.274 -12.938 2.605 1.00 0.00 C ATOM 102 O PRO A 10 6.058 -12.106 2.149 1.00 0.00 O ATOM 103 CB PRO A 10 7.042 -14.288 3.767 1.00 0.00 C ATOM 104 CG PRO A 10 8.106 -14.488 2.743 1.00 0.00 C ATOM 105 CD PRO A 10 7.519 -15.409 1.709 1.00 0.00 C ATOM 0 HA PRO A 10 4.899 -14.773 3.540 1.00 0.00 H new ATOM 0 HB2 PRO A 10 7.158 -13.331 4.277 1.00 0.00 H new ATOM 0 HB3 PRO A 10 7.078 -15.063 4.532 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.401 -13.538 2.297 1.00 0.00 H new ATOM 0 HG3 PRO A 10 9.000 -14.922 3.190 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.901 -15.190 0.712 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.756 -16.452 1.919 1.00 0.00 H new ATOM 113 N PRO A 11 3.975 -12.665 2.801 1.00 0.00 N ATOM 114 CA PRO A 11 3.386 -11.359 2.491 1.00 0.00 C ATOM 115 C PRO A 11 3.860 -10.268 3.444 1.00 0.00 C ATOM 116 O PRO A 11 4.506 -10.533 4.458 1.00 0.00 O ATOM 117 CB PRO A 11 1.883 -11.600 2.658 1.00 0.00 C ATOM 118 CG PRO A 11 1.786 -12.740 3.612 1.00 0.00 C ATOM 119 CD PRO A 11 2.983 -13.609 3.341 1.00 0.00 C ATOM 0 HA PRO A 11 3.668 -11.010 1.498 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.381 -10.714 3.047 1.00 0.00 H new ATOM 0 HB3 PRO A 11 1.412 -11.840 1.705 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.785 -12.387 4.643 1.00 0.00 H new ATOM 0 HG3 PRO A 11 0.859 -13.295 3.464 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.342 -14.093 4.249 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.752 -14.400 2.628 1.00 0.00 H new ATOM 127 N PRO A 12 3.533 -9.010 3.114 1.00 0.00 N ATOM 128 CA PRO A 12 3.915 -7.853 3.929 1.00 0.00 C ATOM 129 C PRO A 12 3.163 -7.804 5.255 1.00 0.00 C ATOM 130 O PRO A 12 1.981 -7.465 5.297 1.00 0.00 O ATOM 131 CB PRO A 12 3.529 -6.658 3.052 1.00 0.00 C ATOM 132 CG PRO A 12 2.445 -7.171 2.169 1.00 0.00 C ATOM 133 CD PRO A 12 2.764 -8.620 1.920 1.00 0.00 C ATOM 0 HA PRO A 12 4.970 -7.877 4.201 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.184 -5.819 3.656 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.379 -6.303 2.470 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.470 -7.062 2.644 1.00 0.00 H new ATOM 0 HG3 PRO A 12 2.407 -6.613 1.233 1.00 0.00 H new ATOM 0 HD2 PRO A 12 1.859 -9.218 1.812 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.345 -8.753 1.007 1.00 0.00 H new ATOM 141 N ARG A 13 3.857 -8.145 6.336 1.00 0.00 N ATOM 142 CA ARG A 13 3.255 -8.141 7.664 1.00 0.00 C ATOM 143 C ARG A 13 3.521 -6.819 8.377 1.00 0.00 C ATOM 144 O ARG A 13 2.598 -6.170 8.868 1.00 0.00 O ATOM 145 CB ARG A 13 3.800 -9.302 8.498 1.00 0.00 C ATOM 146 CG ARG A 13 5.315 -9.306 8.620 1.00 0.00 C ATOM 147 CD ARG A 13 5.817 -10.576 9.288 1.00 0.00 C ATOM 148 NE ARG A 13 5.766 -10.486 10.745 1.00 0.00 N ATOM 149 CZ ARG A 13 5.845 -11.539 11.550 1.00 0.00 C ATOM 150 NH1 ARG A 13 5.978 -12.757 11.042 1.00 0.00 N ATOM 151 NH2 ARG A 13 5.792 -11.376 12.865 1.00 0.00 N ATOM 0 H ARG A 13 4.837 -8.428 6.318 1.00 0.00 H new ATOM 0 HA ARG A 13 2.178 -8.261 7.548 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.364 -9.258 9.496 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.478 -10.242 8.051 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.761 -9.214 7.630 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.637 -8.439 9.197 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.215 -11.422 8.956 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.842 -10.770 8.973 1.00 0.00 H new ATOM 0 HE ARG A 13 5.664 -9.563 11.167 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.020 -12.886 10.031 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.039 -13.564 11.662 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.690 -10.441 13.259 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.853 -12.186 13.482 1.00 0.00 H new ATOM 165 N ALA A 14 4.790 -6.426 8.431 1.00 0.00 N ATOM 166 CA ALA A 14 5.177 -5.182 9.083 1.00 0.00 C ATOM 167 C ALA A 14 4.817 -3.976 8.223 1.00 0.00 C ATOM 168 O ALA A 14 5.683 -3.180 7.857 1.00 0.00 O ATOM 169 CB ALA A 14 6.668 -5.188 9.389 1.00 0.00 C ATOM 0 H ALA A 14 5.567 -6.952 8.031 1.00 0.00 H new ATOM 0 HA ALA A 14 4.625 -5.105 10.020 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.943 -4.253 9.876 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.900 -6.023 10.050 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.230 -5.293 8.461 1.00 0.00 H new ATOM 175 N LEU A 15 3.534 -3.846 7.901 1.00 0.00 N ATOM 176 CA LEU A 15 3.059 -2.737 7.082 1.00 0.00 C ATOM 177 C LEU A 15 2.963 -1.455 7.904 1.00 0.00 C ATOM 178 O LEU A 15 2.007 -1.255 8.654 1.00 0.00 O ATOM 179 CB LEU A 15 1.695 -3.071 6.477 1.00 0.00 C ATOM 180 CG LEU A 15 1.710 -3.992 5.256 1.00 0.00 C ATOM 181 CD1 LEU A 15 0.443 -4.831 5.205 1.00 0.00 C ATOM 182 CD2 LEU A 15 1.866 -3.180 3.978 1.00 0.00 C ATOM 0 H LEU A 15 2.804 -4.495 8.195 1.00 0.00 H new ATOM 0 HA LEU A 15 3.777 -2.579 6.278 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.081 -3.534 7.249 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.205 -2.138 6.198 1.00 0.00 H new ATOM 0 HG LEU A 15 2.563 -4.665 5.342 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.471 -5.480 4.330 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.373 -5.440 6.106 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.425 -4.175 5.142 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.875 -3.851 3.119 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.033 -2.483 3.886 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.802 -2.623 4.013 1.00 0.00 H new ATOM 194 N THR A 16 3.959 -0.587 7.757 1.00 0.00 N ATOM 195 CA THR A 16 3.987 0.675 8.484 1.00 0.00 C ATOM 196 C THR A 16 3.904 1.861 7.530 1.00 0.00 C ATOM 197 O THR A 16 4.520 1.857 6.463 1.00 0.00 O ATOM 198 CB THR A 16 5.264 0.805 9.336 1.00 0.00 C ATOM 199 OG1 THR A 16 5.332 -0.268 10.282 1.00 0.00 O ATOM 200 CG2 THR A 16 5.291 2.137 10.070 1.00 0.00 C ATOM 0 H THR A 16 4.758 -0.736 7.140 1.00 0.00 H new ATOM 0 HA THR A 16 3.118 0.680 9.142 1.00 0.00 H new ATOM 0 HB THR A 16 6.126 0.758 8.670 1.00 0.00 H new ATOM 0 HG1 THR A 16 6.147 -0.180 10.819 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.202 2.206 10.665 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.268 2.952 9.346 1.00 0.00 H new ATOM 0 HG23 THR A 16 4.423 2.209 10.725 1.00 0.00 H new ATOM 208 N LEU A 17 3.141 2.876 7.919 1.00 0.00 N ATOM 209 CA LEU A 17 2.978 4.071 7.098 1.00 0.00 C ATOM 210 C LEU A 17 4.218 4.956 7.173 1.00 0.00 C ATOM 211 O LEU A 17 4.432 5.659 8.160 1.00 0.00 O ATOM 212 CB LEU A 17 1.747 4.859 7.548 1.00 0.00 C ATOM 213 CG LEU A 17 1.015 5.641 6.457 1.00 0.00 C ATOM 214 CD1 LEU A 17 -0.347 6.102 6.953 1.00 0.00 C ATOM 215 CD2 LEU A 17 1.849 6.829 6.001 1.00 0.00 C ATOM 0 H LEU A 17 2.625 2.896 8.799 1.00 0.00 H new ATOM 0 HA LEU A 17 2.841 3.755 6.064 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.042 4.164 8.004 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.053 5.559 8.326 1.00 0.00 H new ATOM 0 HG LEU A 17 0.863 4.981 5.603 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.853 6.657 6.163 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.947 5.234 7.229 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.219 6.746 7.823 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.312 7.374 5.224 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.033 7.491 6.847 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.800 6.475 5.604 1.00 0.00 H new ATOM 227 N ALA A 18 5.031 4.917 6.122 1.00 0.00 N ATOM 228 CA ALA A 18 6.247 5.719 6.067 1.00 0.00 C ATOM 229 C ALA A 18 5.964 7.172 6.433 1.00 0.00 C ATOM 230 O ALA A 18 6.636 7.749 7.287 1.00 0.00 O ATOM 231 CB ALA A 18 6.872 5.634 4.683 1.00 0.00 C ATOM 0 H ALA A 18 4.869 4.339 5.298 1.00 0.00 H new ATOM 0 HA ALA A 18 6.950 5.318 6.797 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.779 6.237 4.656 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.119 4.596 4.459 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.166 6.007 3.941 1.00 0.00 H new ATOM 237 N ALA A 19 4.964 7.758 5.782 1.00 0.00 N ATOM 238 CA ALA A 19 4.592 9.143 6.040 1.00 0.00 C ATOM 239 C ALA A 19 3.159 9.418 5.598 1.00 0.00 C ATOM 240 O ALA A 19 2.716 8.933 4.556 1.00 0.00 O ATOM 241 CB ALA A 19 5.554 10.088 5.336 1.00 0.00 C ATOM 0 H ALA A 19 4.397 7.294 5.072 1.00 0.00 H new ATOM 0 HA ALA A 19 4.652 9.315 7.115 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.264 11.119 5.538 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.566 9.917 5.703 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.522 9.906 4.262 1.00 0.00 H new ATOM 247 N VAL A 20 2.437 10.198 6.396 1.00 0.00 N ATOM 248 CA VAL A 20 1.053 10.538 6.086 1.00 0.00 C ATOM 249 C VAL A 20 0.947 11.951 5.525 1.00 0.00 C ATOM 250 O VAL A 20 1.215 12.930 6.222 1.00 0.00 O ATOM 251 CB VAL A 20 0.155 10.423 7.332 1.00 0.00 C ATOM 252 CG1 VAL A 20 0.630 11.371 8.422 1.00 0.00 C ATOM 253 CG2 VAL A 20 -1.296 10.698 6.969 1.00 0.00 C ATOM 0 H VAL A 20 2.787 10.607 7.262 1.00 0.00 H new ATOM 0 HA VAL A 20 0.712 9.826 5.335 1.00 0.00 H new ATOM 0 HB VAL A 20 0.223 9.405 7.715 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.017 11.276 9.294 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.654 11.122 8.700 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.594 12.396 8.054 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.917 10.613 7.861 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.384 11.705 6.561 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.628 9.974 6.225 1.00 0.00 H new ATOM 263 N THR A 21 0.552 12.051 4.259 1.00 0.00 N ATOM 264 CA THR A 21 0.411 13.345 3.603 1.00 0.00 C ATOM 265 C THR A 21 -1.012 13.550 3.095 1.00 0.00 C ATOM 266 O THR A 21 -1.632 12.648 2.531 1.00 0.00 O ATOM 267 CB THR A 21 1.391 13.486 2.423 1.00 0.00 C ATOM 268 OG1 THR A 21 2.586 12.744 2.687 1.00 0.00 O ATOM 269 CG2 THR A 21 1.739 14.948 2.181 1.00 0.00 C ATOM 0 H THR A 21 0.324 11.251 3.668 1.00 0.00 H new ATOM 0 HA THR A 21 0.641 14.106 4.349 1.00 0.00 H new ATOM 0 HB THR A 21 0.908 13.090 1.529 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.935 12.376 1.848 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.432 15.023 1.343 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.831 15.505 1.951 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.204 15.364 3.075 1.00 0.00 H new ATOM 277 N PRO A 22 -1.543 14.765 3.296 1.00 0.00 N ATOM 278 CA PRO A 22 -2.899 15.118 2.864 1.00 0.00 C ATOM 279 C PRO A 22 -3.018 15.210 1.347 1.00 0.00 C ATOM 280 O PRO A 22 -4.107 15.423 0.812 1.00 0.00 O ATOM 281 CB PRO A 22 -3.129 16.490 3.503 1.00 0.00 C ATOM 282 CG PRO A 22 -1.764 17.058 3.682 1.00 0.00 C ATOM 283 CD PRO A 22 -0.861 15.888 3.961 1.00 0.00 C ATOM 0 HA PRO A 22 -3.630 14.366 3.161 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.742 17.126 2.865 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -3.649 16.400 4.457 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -1.444 17.593 2.788 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.743 17.772 4.506 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.139 16.047 3.557 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.749 15.713 5.031 1.00 0.00 H new ATOM 291 N ARG A 23 -1.893 15.048 0.659 1.00 0.00 N ATOM 292 CA ARG A 23 -1.872 15.114 -0.798 1.00 0.00 C ATOM 293 C ARG A 23 -1.226 13.865 -1.389 1.00 0.00 C ATOM 294 O ARG A 23 -1.286 13.633 -2.597 1.00 0.00 O ATOM 295 CB ARG A 23 -1.117 16.361 -1.262 1.00 0.00 C ATOM 296 CG ARG A 23 -0.019 16.799 -0.307 1.00 0.00 C ATOM 297 CD ARG A 23 0.707 18.032 -0.821 1.00 0.00 C ATOM 298 NE ARG A 23 -0.072 19.251 -0.618 1.00 0.00 N ATOM 299 CZ ARG A 23 0.457 20.469 -0.614 1.00 0.00 C ATOM 300 NH1 ARG A 23 1.759 20.631 -0.800 1.00 0.00 N ATOM 301 NH2 ARG A 23 -0.318 21.529 -0.423 1.00 0.00 N ATOM 0 H ARG A 23 -0.984 14.870 1.086 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.902 15.170 -1.150 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.679 16.167 -2.241 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.826 17.179 -1.387 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.450 17.011 0.672 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.694 15.985 -0.173 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.666 18.126 -0.312 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.920 17.911 -1.883 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.077 19.162 -0.471 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.358 19.819 -0.947 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.162 21.568 -0.796 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.321 21.408 -0.279 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.089 22.464 -0.420 1.00 0.00 H new ATOM 315 N THR A 24 -0.606 13.062 -0.529 1.00 0.00 N ATOM 316 CA THR A 24 0.053 11.837 -0.966 1.00 0.00 C ATOM 317 C THR A 24 0.056 10.790 0.142 1.00 0.00 C ATOM 318 O THR A 24 -0.144 11.110 1.313 1.00 0.00 O ATOM 319 CB THR A 24 1.504 12.107 -1.407 1.00 0.00 C ATOM 320 OG1 THR A 24 2.289 12.518 -0.282 1.00 0.00 O ATOM 321 CG2 THR A 24 1.552 13.179 -2.484 1.00 0.00 C ATOM 0 H THR A 24 -0.547 13.238 0.474 1.00 0.00 H new ATOM 0 HA THR A 24 -0.513 11.459 -1.817 1.00 0.00 H new ATOM 0 HB THR A 24 1.913 11.184 -1.818 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.211 12.686 -0.570 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.587 13.352 -2.779 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.978 12.850 -3.350 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.126 14.104 -2.096 1.00 0.00 H new ATOM 329 N VAL A 25 0.286 9.536 -0.237 1.00 0.00 N ATOM 330 CA VAL A 25 0.317 8.441 0.725 1.00 0.00 C ATOM 331 C VAL A 25 1.531 7.546 0.500 1.00 0.00 C ATOM 332 O VAL A 25 1.662 6.913 -0.549 1.00 0.00 O ATOM 333 CB VAL A 25 -0.961 7.585 0.644 1.00 0.00 C ATOM 334 CG1 VAL A 25 -0.742 6.233 1.306 1.00 0.00 C ATOM 335 CG2 VAL A 25 -2.133 8.316 1.281 1.00 0.00 C ATOM 0 H VAL A 25 0.453 9.254 -1.203 1.00 0.00 H new ATOM 0 HA VAL A 25 0.380 8.892 1.715 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.196 7.414 -0.406 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.656 5.643 1.239 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.068 5.707 0.800 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.481 6.379 2.354 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.027 7.697 1.215 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.909 8.519 2.328 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.303 9.257 0.757 1.00 0.00 H new ATOM 345 N HIS A 26 2.415 7.497 1.490 1.00 0.00 N ATOM 346 CA HIS A 26 3.619 6.677 1.401 1.00 0.00 C ATOM 347 C HIS A 26 3.540 5.489 2.355 1.00 0.00 C ATOM 348 O HIS A 26 3.390 5.661 3.565 1.00 0.00 O ATOM 349 CB HIS A 26 4.858 7.517 1.714 1.00 0.00 C ATOM 350 CG HIS A 26 6.140 6.877 1.280 1.00 0.00 C ATOM 351 ND1 HIS A 26 7.313 7.583 1.109 1.00 0.00 N ATOM 352 CD2 HIS A 26 6.431 5.589 0.983 1.00 0.00 C ATOM 353 CE1 HIS A 26 8.269 6.756 0.724 1.00 0.00 C ATOM 354 NE2 HIS A 26 7.760 5.540 0.640 1.00 0.00 N ATOM 0 H HIS A 26 2.321 8.015 2.364 1.00 0.00 H new ATOM 0 HA HIS A 26 3.695 6.297 0.382 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.762 8.487 1.226 1.00 0.00 H new ATOM 0 HB3 HIS A 26 4.899 7.703 2.787 1.00 0.00 H new ATOM 0 HD1 HIS A 26 7.425 8.586 1.257 1.00 0.00 H new ATOM 0 HD2 HIS A 26 5.746 4.755 1.011 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.293 7.028 0.514 1.00 0.00 H new ATOM 363 N LEU A 27 3.641 4.285 1.803 1.00 0.00 N ATOM 364 CA LEU A 27 3.580 3.068 2.605 1.00 0.00 C ATOM 365 C LEU A 27 4.888 2.290 2.513 1.00 0.00 C ATOM 366 O LEU A 27 5.632 2.415 1.539 1.00 0.00 O ATOM 367 CB LEU A 27 2.416 2.189 2.145 1.00 0.00 C ATOM 368 CG LEU A 27 1.896 1.176 3.166 1.00 0.00 C ATOM 369 CD1 LEU A 27 1.039 1.869 4.215 1.00 0.00 C ATOM 370 CD2 LEU A 27 1.106 0.076 2.472 1.00 0.00 C ATOM 0 H LEU A 27 3.766 4.125 0.803 1.00 0.00 H new ATOM 0 HA LEU A 27 3.422 3.354 3.645 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.590 2.838 1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.727 1.648 1.251 1.00 0.00 H new ATOM 0 HG LEU A 27 2.751 0.721 3.666 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.677 1.133 4.933 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.635 2.620 4.734 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.190 2.351 3.731 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.744 -0.636 3.214 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.258 0.514 1.945 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.749 -0.439 1.759 1.00 0.00 H new ATOM 382 N THR A 28 5.164 1.482 3.532 1.00 0.00 N ATOM 383 CA THR A 28 6.382 0.682 3.566 1.00 0.00 C ATOM 384 C THR A 28 6.175 -0.600 4.365 1.00 0.00 C ATOM 385 O THR A 28 5.690 -0.566 5.496 1.00 0.00 O ATOM 386 CB THR A 28 7.555 1.471 4.177 1.00 0.00 C ATOM 387 OG1 THR A 28 7.239 1.859 5.519 1.00 0.00 O ATOM 388 CG2 THR A 28 7.868 2.706 3.347 1.00 0.00 C ATOM 0 H THR A 28 4.560 1.364 4.345 1.00 0.00 H new ATOM 0 HA THR A 28 6.623 0.429 2.534 1.00 0.00 H new ATOM 0 HB THR A 28 8.433 0.825 4.183 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.289 1.692 5.693 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.700 3.247 3.799 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.138 2.405 2.335 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.991 3.353 3.312 1.00 0.00 H new ATOM 396 N TRP A 29 6.547 -1.728 3.771 1.00 0.00 N ATOM 397 CA TRP A 29 6.402 -3.021 4.429 1.00 0.00 C ATOM 398 C TRP A 29 7.723 -3.782 4.429 1.00 0.00 C ATOM 399 O TRP A 29 8.751 -3.258 4.000 1.00 0.00 O ATOM 400 CB TRP A 29 5.321 -3.851 3.735 1.00 0.00 C ATOM 401 CG TRP A 29 5.480 -3.908 2.246 1.00 0.00 C ATOM 402 CD1 TRP A 29 6.202 -4.822 1.533 1.00 0.00 C ATOM 403 CD2 TRP A 29 4.906 -3.012 1.288 1.00 0.00 C ATOM 404 NE1 TRP A 29 6.111 -4.549 0.189 1.00 0.00 N ATOM 405 CE2 TRP A 29 5.321 -3.444 0.013 1.00 0.00 C ATOM 406 CE3 TRP A 29 4.079 -1.890 1.383 1.00 0.00 C ATOM 407 CZ2 TRP A 29 4.938 -2.790 -1.155 1.00 0.00 C ATOM 408 CZ3 TRP A 29 3.701 -1.241 0.222 1.00 0.00 C ATOM 409 CH2 TRP A 29 4.129 -1.693 -1.033 1.00 0.00 C ATOM 0 H TRP A 29 6.951 -1.773 2.836 1.00 0.00 H new ATOM 0 HA TRP A 29 6.106 -2.844 5.463 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.340 -4.865 4.134 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.343 -3.433 3.973 1.00 0.00 H new ATOM 0 HD1 TRP A 29 6.762 -5.639 1.962 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.559 -5.082 -0.556 1.00 0.00 H new ATOM 0 HE3 TRP A 29 3.741 -1.536 2.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.268 -3.136 -2.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 3.065 -0.371 0.284 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.814 -1.166 -1.921 1.00 0.00 H new ATOM 420 N GLN A 30 7.688 -5.020 4.912 1.00 0.00 N ATOM 421 CA GLN A 30 8.884 -5.852 4.967 1.00 0.00 C ATOM 422 C GLN A 30 9.183 -6.467 3.604 1.00 0.00 C ATOM 423 O GLN A 30 8.293 -6.955 2.907 1.00 0.00 O ATOM 424 CB GLN A 30 8.715 -6.957 6.012 1.00 0.00 C ATOM 425 CG GLN A 30 9.180 -6.556 7.402 1.00 0.00 C ATOM 426 CD GLN A 30 10.660 -6.804 7.617 1.00 0.00 C ATOM 427 OE1 GLN A 30 11.311 -7.476 6.816 1.00 0.00 O ATOM 428 NE2 GLN A 30 11.200 -6.263 8.703 1.00 0.00 N ATOM 0 H GLN A 30 6.845 -5.469 5.271 1.00 0.00 H new ATOM 0 HA GLN A 30 9.724 -5.218 5.251 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.665 -7.244 6.058 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.272 -7.837 5.691 1.00 0.00 H new ATOM 0 HG2 GLN A 30 8.966 -5.499 7.562 1.00 0.00 H new ATOM 0 HG3 GLN A 30 8.610 -7.113 8.146 1.00 0.00 H new ATOM 0 HE21 GLN A 30 10.623 -5.713 9.340 1.00 0.00 H new ATOM 0 HE22 GLN A 30 12.192 -6.397 8.900 1.00 0.00 H new ATOM 437 N PRO A 31 10.466 -6.444 3.212 1.00 0.00 N ATOM 438 CA PRO A 31 10.912 -6.995 1.929 1.00 0.00 C ATOM 439 C PRO A 31 10.826 -8.517 1.891 1.00 0.00 C ATOM 440 O PRO A 31 11.256 -9.196 2.822 1.00 0.00 O ATOM 441 CB PRO A 31 12.371 -6.539 1.835 1.00 0.00 C ATOM 442 CG PRO A 31 12.800 -6.349 3.249 1.00 0.00 C ATOM 443 CD PRO A 31 11.580 -5.878 3.992 1.00 0.00 C ATOM 0 HA PRO A 31 10.291 -6.654 1.101 1.00 0.00 H new ATOM 0 HB2 PRO A 31 12.987 -7.284 1.331 1.00 0.00 H new ATOM 0 HB3 PRO A 31 12.461 -5.614 1.266 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.178 -7.280 3.671 1.00 0.00 H new ATOM 0 HG3 PRO A 31 13.605 -5.618 3.318 1.00 0.00 H new ATOM 0 HD2 PRO A 31 11.573 -6.237 5.021 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.530 -4.790 4.033 1.00 0.00 H new ATOM 451 N SER A 32 10.267 -9.046 0.807 1.00 0.00 N ATOM 452 CA SER A 32 10.122 -10.488 0.649 1.00 0.00 C ATOM 453 C SER A 32 11.451 -11.129 0.261 1.00 0.00 C ATOM 454 O SER A 32 12.363 -10.454 -0.215 1.00 0.00 O ATOM 455 CB SER A 32 9.063 -10.802 -0.410 1.00 0.00 C ATOM 456 OG SER A 32 8.456 -12.059 -0.168 1.00 0.00 O ATOM 0 H SER A 32 9.907 -8.498 0.026 1.00 0.00 H new ATOM 0 HA SER A 32 9.804 -10.903 1.605 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.302 -10.021 -0.410 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.522 -10.801 -1.399 1.00 0.00 H new ATOM 0 HG SER A 32 7.760 -11.960 0.515 1.00 0.00 H new ATOM 462 N ALA A 33 11.552 -12.438 0.469 1.00 0.00 N ATOM 463 CA ALA A 33 12.768 -13.171 0.141 1.00 0.00 C ATOM 464 C ALA A 33 12.603 -13.955 -1.157 1.00 0.00 C ATOM 465 O ALA A 33 12.814 -15.166 -1.193 1.00 0.00 O ATOM 466 CB ALA A 33 13.145 -14.107 1.280 1.00 0.00 C ATOM 0 H ALA A 33 10.806 -13.012 0.863 1.00 0.00 H new ATOM 0 HA ALA A 33 13.571 -12.448 -0.001 1.00 0.00 H new ATOM 0 HB1 ALA A 33 14.055 -14.648 1.021 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.314 -13.527 2.187 1.00 0.00 H new ATOM 0 HB3 ALA A 33 12.336 -14.818 1.449 1.00 0.00 H new ATOM 472 N GLY A 34 12.221 -13.255 -2.221 1.00 0.00 N ATOM 473 CA GLY A 34 12.033 -13.903 -3.506 1.00 0.00 C ATOM 474 C GLY A 34 11.284 -13.028 -4.492 1.00 0.00 C ATOM 475 O GLY A 34 11.742 -12.814 -5.614 1.00 0.00 O ATOM 0 H GLY A 34 12.039 -12.251 -2.216 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.005 -14.165 -3.923 1.00 0.00 H new ATOM 0 HA3 GLY A 34 11.486 -14.835 -3.363 1.00 0.00 H new ATOM 479 N ALA A 35 10.129 -12.521 -4.073 1.00 0.00 N ATOM 480 CA ALA A 35 9.316 -11.665 -4.927 1.00 0.00 C ATOM 481 C ALA A 35 10.145 -10.525 -5.510 1.00 0.00 C ATOM 482 O ALA A 35 10.809 -9.789 -4.779 1.00 0.00 O ATOM 483 CB ALA A 35 8.132 -11.113 -4.148 1.00 0.00 C ATOM 0 H ALA A 35 9.736 -12.689 -3.147 1.00 0.00 H new ATOM 0 HA ALA A 35 8.943 -12.269 -5.754 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.534 -10.475 -4.799 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.519 -11.938 -3.785 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.494 -10.530 -3.301 1.00 0.00 H new ATOM 489 N THR A 36 10.103 -10.384 -6.831 1.00 0.00 N ATOM 490 CA THR A 36 10.851 -9.335 -7.512 1.00 0.00 C ATOM 491 C THR A 36 10.086 -8.017 -7.501 1.00 0.00 C ATOM 492 O THR A 36 10.681 -6.942 -7.422 1.00 0.00 O ATOM 493 CB THR A 36 11.162 -9.723 -8.971 1.00 0.00 C ATOM 494 OG1 THR A 36 11.560 -8.564 -9.712 1.00 0.00 O ATOM 495 CG2 THR A 36 9.949 -10.362 -9.631 1.00 0.00 C ATOM 0 H THR A 36 9.558 -10.984 -7.451 1.00 0.00 H new ATOM 0 HA THR A 36 11.788 -9.212 -6.968 1.00 0.00 H new ATOM 0 HB THR A 36 11.977 -10.447 -8.966 1.00 0.00 H new ATOM 0 HG1 THR A 36 11.757 -8.819 -10.637 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.192 -10.627 -10.660 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.667 -11.260 -9.082 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.118 -9.657 -9.625 1.00 0.00 H new ATOM 503 N HIS A 37 8.762 -8.107 -7.579 1.00 0.00 N ATOM 504 CA HIS A 37 7.914 -6.920 -7.577 1.00 0.00 C ATOM 505 C HIS A 37 6.694 -7.126 -6.683 1.00 0.00 C ATOM 506 O HIS A 37 6.341 -8.257 -6.348 1.00 0.00 O ATOM 507 CB HIS A 37 7.467 -6.583 -9.000 1.00 0.00 C ATOM 508 CG HIS A 37 6.634 -7.653 -9.635 1.00 0.00 C ATOM 509 ND1 HIS A 37 7.175 -8.728 -10.309 1.00 0.00 N ATOM 510 CD2 HIS A 37 5.291 -7.811 -9.696 1.00 0.00 C ATOM 511 CE1 HIS A 37 6.201 -9.499 -10.757 1.00 0.00 C ATOM 512 NE2 HIS A 37 5.048 -8.965 -10.398 1.00 0.00 N ATOM 0 H HIS A 37 8.253 -8.989 -7.644 1.00 0.00 H new ATOM 0 HA HIS A 37 8.497 -6.088 -7.181 1.00 0.00 H new ATOM 0 HB2 HIS A 37 6.898 -5.653 -8.983 1.00 0.00 H new ATOM 0 HB3 HIS A 37 8.348 -6.406 -9.617 1.00 0.00 H new ATOM 0 HD2 HIS A 37 4.549 -7.152 -9.271 1.00 0.00 H new ATOM 0 HE1 HIS A 37 6.326 -10.411 -11.321 1.00 0.00 H new ATOM 0 HE2 HIS A 37 4.126 -9.348 -10.608 1.00 0.00 H new ATOM 521 N TYR A 38 6.055 -6.026 -6.301 1.00 0.00 N ATOM 522 CA TYR A 38 4.877 -6.086 -5.444 1.00 0.00 C ATOM 523 C TYR A 38 3.701 -5.352 -6.082 1.00 0.00 C ATOM 524 O TYR A 38 3.869 -4.292 -6.686 1.00 0.00 O ATOM 525 CB TYR A 38 5.186 -5.482 -4.073 1.00 0.00 C ATOM 526 CG TYR A 38 6.470 -5.994 -3.462 1.00 0.00 C ATOM 527 CD1 TYR A 38 7.699 -5.460 -3.829 1.00 0.00 C ATOM 528 CD2 TYR A 38 6.454 -7.011 -2.515 1.00 0.00 C ATOM 529 CE1 TYR A 38 8.875 -5.926 -3.273 1.00 0.00 C ATOM 530 CE2 TYR A 38 7.625 -7.482 -1.953 1.00 0.00 C ATOM 531 CZ TYR A 38 8.833 -6.937 -2.336 1.00 0.00 C ATOM 532 OH TYR A 38 10.002 -7.402 -1.779 1.00 0.00 O ATOM 0 H TYR A 38 6.333 -5.082 -6.571 1.00 0.00 H new ATOM 0 HA TYR A 38 4.604 -7.134 -5.319 1.00 0.00 H new ATOM 0 HB2 TYR A 38 5.246 -4.398 -4.168 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.360 -5.698 -3.396 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.736 -4.667 -4.561 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.510 -7.440 -2.213 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.822 -5.501 -3.571 1.00 0.00 H new ATOM 0 HE2 TYR A 38 7.595 -8.273 -1.218 1.00 0.00 H new ATOM 0 HH TYR A 38 10.662 -6.678 -1.751 1.00 0.00 H new ATOM 542 N LEU A 39 2.510 -5.924 -5.944 1.00 0.00 N ATOM 543 CA LEU A 39 1.304 -5.325 -6.505 1.00 0.00 C ATOM 544 C LEU A 39 0.592 -4.461 -5.469 1.00 0.00 C ATOM 545 O LEU A 39 0.158 -4.953 -4.428 1.00 0.00 O ATOM 546 CB LEU A 39 0.359 -6.415 -7.013 1.00 0.00 C ATOM 547 CG LEU A 39 -0.646 -5.987 -8.083 1.00 0.00 C ATOM 548 CD1 LEU A 39 -1.813 -5.243 -7.452 1.00 0.00 C ATOM 549 CD2 LEU A 39 0.032 -5.124 -9.137 1.00 0.00 C ATOM 0 H LEU A 39 2.354 -6.802 -5.449 1.00 0.00 H new ATOM 0 HA LEU A 39 1.598 -4.689 -7.340 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.960 -7.231 -7.413 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.194 -6.814 -6.163 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.033 -6.882 -8.570 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.518 -4.946 -8.229 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.315 -5.894 -6.736 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.444 -4.355 -6.939 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.698 -4.829 -9.890 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.448 -4.233 -8.666 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.833 -5.691 -9.611 1.00 0.00 H new ATOM 561 N VAL A 40 0.473 -3.170 -5.764 1.00 0.00 N ATOM 562 CA VAL A 40 -0.189 -2.238 -4.860 1.00 0.00 C ATOM 563 C VAL A 40 -1.517 -1.762 -5.438 1.00 0.00 C ATOM 564 O VAL A 40 -1.549 -0.931 -6.345 1.00 0.00 O ATOM 565 CB VAL A 40 0.698 -1.013 -4.568 1.00 0.00 C ATOM 566 CG1 VAL A 40 -0.133 0.125 -3.995 1.00 0.00 C ATOM 567 CG2 VAL A 40 1.828 -1.389 -3.620 1.00 0.00 C ATOM 0 H VAL A 40 0.827 -2.746 -6.622 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.372 -2.776 -3.930 1.00 0.00 H new ATOM 0 HB VAL A 40 1.138 -0.672 -5.505 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.511 0.981 -3.795 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.903 0.410 -4.712 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.603 -0.199 -3.067 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.445 -0.512 -3.424 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.410 -1.755 -2.682 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.439 -2.169 -4.074 1.00 0.00 H new ATOM 577 N ARG A 41 -2.613 -2.295 -4.906 1.00 0.00 N ATOM 578 CA ARG A 41 -3.945 -1.926 -5.369 1.00 0.00 C ATOM 579 C ARG A 41 -4.497 -0.757 -4.559 1.00 0.00 C ATOM 580 O ARG A 41 -4.693 -0.866 -3.347 1.00 0.00 O ATOM 581 CB ARG A 41 -4.892 -3.123 -5.270 1.00 0.00 C ATOM 582 CG ARG A 41 -4.907 -3.993 -6.515 1.00 0.00 C ATOM 583 CD ARG A 41 -5.469 -5.376 -6.223 1.00 0.00 C ATOM 584 NE ARG A 41 -4.473 -6.254 -5.614 1.00 0.00 N ATOM 585 CZ ARG A 41 -4.571 -7.579 -5.602 1.00 0.00 C ATOM 586 NH1 ARG A 41 -5.615 -8.175 -6.161 1.00 0.00 N ATOM 587 NH2 ARG A 41 -3.624 -8.310 -5.029 1.00 0.00 N ATOM 0 H ARG A 41 -2.604 -2.984 -4.154 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.868 -1.618 -6.412 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.604 -3.733 -4.414 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.902 -2.761 -5.078 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.505 -3.512 -7.289 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -3.894 -4.086 -6.907 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.328 -5.285 -5.558 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.829 -5.824 -7.149 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.658 -5.827 -5.174 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.346 -7.616 -6.602 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.688 -9.192 -6.150 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.820 -7.855 -4.597 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.700 -9.327 -5.020 1.00 0.00 H new ATOM 601 N CYS A 42 -4.747 0.359 -5.234 1.00 0.00 N ATOM 602 CA CYS A 42 -5.276 1.549 -4.577 1.00 0.00 C ATOM 603 C CYS A 42 -6.796 1.601 -4.689 1.00 0.00 C ATOM 604 O CYS A 42 -7.341 1.879 -5.757 1.00 0.00 O ATOM 605 CB CYS A 42 -4.664 2.809 -5.189 1.00 0.00 C ATOM 606 SG CYS A 42 -4.917 4.305 -4.205 1.00 0.00 S ATOM 0 H CYS A 42 -4.592 0.465 -6.237 1.00 0.00 H new ATOM 0 HA CYS A 42 -5.009 1.500 -3.521 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.594 2.652 -5.323 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -5.090 2.963 -6.180 1.00 0.00 H new ATOM 0 HG CYS A 42 -4.362 5.317 -4.803 1.00 0.00 H new ATOM 612 N SER A 43 -7.476 1.330 -3.579 1.00 0.00 N ATOM 613 CA SER A 43 -8.934 1.341 -3.553 1.00 0.00 C ATOM 614 C SER A 43 -9.450 2.059 -2.310 1.00 0.00 C ATOM 615 O SER A 43 -8.846 2.011 -1.238 1.00 0.00 O ATOM 616 CB SER A 43 -9.476 -0.090 -3.591 1.00 0.00 C ATOM 617 OG SER A 43 -8.962 -0.800 -4.704 1.00 0.00 O ATOM 0 H SER A 43 -7.040 1.100 -2.686 1.00 0.00 H new ATOM 0 HA SER A 43 -9.285 1.879 -4.434 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.209 -0.608 -2.670 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.565 -0.069 -3.640 1.00 0.00 H new ATOM 0 HG SER A 43 -9.322 -1.711 -4.705 1.00 0.00 H new ATOM 623 N PRO A 44 -10.594 2.743 -2.456 1.00 0.00 N ATOM 624 CA PRO A 44 -11.219 3.485 -1.356 1.00 0.00 C ATOM 625 C PRO A 44 -11.792 2.562 -0.286 1.00 0.00 C ATOM 626 O PRO A 44 -12.181 1.431 -0.573 1.00 0.00 O ATOM 627 CB PRO A 44 -12.341 4.265 -2.047 1.00 0.00 C ATOM 628 CG PRO A 44 -12.663 3.468 -3.263 1.00 0.00 C ATOM 629 CD PRO A 44 -11.368 2.844 -3.705 1.00 0.00 C ATOM 0 HA PRO A 44 -10.502 4.117 -0.831 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.211 4.366 -1.398 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.020 5.273 -2.308 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.409 2.704 -3.043 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.078 4.102 -4.046 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -11.528 1.866 -4.159 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -10.857 3.460 -4.445 1.00 0.00 H new ATOM 637 N ALA A 45 -11.840 3.053 0.948 1.00 0.00 N ATOM 638 CA ALA A 45 -12.368 2.273 2.060 1.00 0.00 C ATOM 639 C ALA A 45 -13.879 2.105 1.945 1.00 0.00 C ATOM 640 O ALA A 45 -14.425 1.056 2.287 1.00 0.00 O ATOM 641 CB ALA A 45 -12.008 2.931 3.384 1.00 0.00 C ATOM 0 H ALA A 45 -11.520 3.987 1.203 1.00 0.00 H new ATOM 0 HA ALA A 45 -11.915 1.282 2.023 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -12.409 2.338 4.206 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.924 2.993 3.476 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -12.433 3.934 3.419 1.00 0.00 H new ATOM 647 N SER A 46 -14.550 3.145 1.461 1.00 0.00 N ATOM 648 CA SER A 46 -16.000 3.114 1.304 1.00 0.00 C ATOM 649 C SER A 46 -16.387 2.563 -0.065 1.00 0.00 C ATOM 650 O SER A 46 -15.726 2.815 -1.073 1.00 0.00 O ATOM 651 CB SER A 46 -16.584 4.516 1.486 1.00 0.00 C ATOM 652 OG SER A 46 -16.802 4.804 2.857 1.00 0.00 O ATOM 0 H SER A 46 -14.113 4.020 1.171 1.00 0.00 H new ATOM 0 HA SER A 46 -16.409 2.455 2.070 1.00 0.00 H new ATOM 0 HB2 SER A 46 -15.905 5.254 1.060 1.00 0.00 H new ATOM 0 HB3 SER A 46 -17.524 4.595 0.941 1.00 0.00 H new ATOM 0 HG SER A 46 -17.174 5.706 2.947 1.00 0.00 H new ATOM 658 N PRO A 47 -17.484 1.794 -0.104 1.00 0.00 N ATOM 659 CA PRO A 47 -17.986 1.191 -1.343 1.00 0.00 C ATOM 660 C PRO A 47 -18.561 2.229 -2.300 1.00 0.00 C ATOM 661 O PRO A 47 -18.975 1.901 -3.412 1.00 0.00 O ATOM 662 CB PRO A 47 -19.086 0.245 -0.857 1.00 0.00 C ATOM 663 CG PRO A 47 -19.538 0.823 0.440 1.00 0.00 C ATOM 664 CD PRO A 47 -18.321 1.453 1.059 1.00 0.00 C ATOM 0 HA PRO A 47 -17.195 0.694 -1.904 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -19.906 0.190 -1.573 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -18.707 -0.769 -0.728 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -20.324 1.562 0.285 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -19.950 0.050 1.089 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -18.579 2.337 1.642 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -17.811 0.765 1.733 1.00 0.00 H new ATOM 672 N LYS A 48 -18.583 3.483 -1.863 1.00 0.00 N ATOM 673 CA LYS A 48 -19.105 4.571 -2.681 1.00 0.00 C ATOM 674 C LYS A 48 -18.067 5.033 -3.699 1.00 0.00 C ATOM 675 O LYS A 48 -17.186 5.831 -3.383 1.00 0.00 O ATOM 676 CB LYS A 48 -19.525 5.747 -1.796 1.00 0.00 C ATOM 677 CG LYS A 48 -19.769 7.032 -2.568 1.00 0.00 C ATOM 678 CD LYS A 48 -20.816 7.899 -1.889 1.00 0.00 C ATOM 679 CE LYS A 48 -21.410 8.914 -2.855 1.00 0.00 C ATOM 680 NZ LYS A 48 -22.277 8.265 -3.877 1.00 0.00 N ATOM 0 H LYS A 48 -18.245 3.772 -0.945 1.00 0.00 H new ATOM 0 HA LYS A 48 -19.977 4.200 -3.220 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -20.434 5.479 -1.257 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -18.751 5.923 -1.049 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -18.836 7.588 -2.655 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -20.094 6.793 -3.581 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -21.610 7.268 -1.489 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -20.366 8.419 -1.043 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -21.992 9.648 -2.298 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -20.606 9.456 -3.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -22.917 8.973 -4.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -21.683 7.856 -4.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -22.837 7.512 -3.429 1.00 0.00 H new ATOM 694 N GLY A 49 -18.179 4.525 -4.923 1.00 0.00 N ATOM 695 CA GLY A 49 -17.244 4.899 -5.969 1.00 0.00 C ATOM 696 C GLY A 49 -17.531 4.195 -7.281 1.00 0.00 C ATOM 697 O GLY A 49 -17.086 3.069 -7.498 1.00 0.00 O ATOM 0 H GLY A 49 -18.900 3.862 -5.209 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -17.287 5.977 -6.122 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -16.230 4.662 -5.647 1.00 0.00 H new ATOM 701 N GLU A 50 -18.277 4.861 -8.157 1.00 0.00 N ATOM 702 CA GLU A 50 -18.624 4.290 -9.453 1.00 0.00 C ATOM 703 C GLU A 50 -17.370 3.898 -10.228 1.00 0.00 C ATOM 704 O GLU A 50 -17.351 2.883 -10.924 1.00 0.00 O ATOM 705 CB GLU A 50 -19.450 5.287 -10.269 1.00 0.00 C ATOM 706 CG GLU A 50 -18.754 6.620 -10.487 1.00 0.00 C ATOM 707 CD GLU A 50 -19.435 7.468 -11.544 1.00 0.00 C ATOM 708 OE1 GLU A 50 -19.108 7.302 -12.738 1.00 0.00 O ATOM 709 OE2 GLU A 50 -20.294 8.296 -11.178 1.00 0.00 O ATOM 0 H GLU A 50 -18.652 5.795 -7.993 1.00 0.00 H new ATOM 0 HA GLU A 50 -19.218 3.393 -9.279 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -19.683 4.846 -11.238 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -20.399 5.461 -9.762 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -18.728 7.170 -9.546 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -17.720 6.442 -10.781 1.00 0.00 H new ATOM 716 N GLU A 51 -16.325 4.709 -10.102 1.00 0.00 N ATOM 717 CA GLU A 51 -15.067 4.447 -10.791 1.00 0.00 C ATOM 718 C GLU A 51 -14.501 3.087 -10.393 1.00 0.00 C ATOM 719 O GLU A 51 -14.921 2.497 -9.398 1.00 0.00 O ATOM 720 CB GLU A 51 -14.050 5.547 -10.479 1.00 0.00 C ATOM 721 CG GLU A 51 -13.451 5.444 -9.086 1.00 0.00 C ATOM 722 CD GLU A 51 -14.335 6.066 -8.023 1.00 0.00 C ATOM 723 OE1 GLU A 51 -15.325 6.734 -8.390 1.00 0.00 O ATOM 724 OE2 GLU A 51 -14.038 5.883 -6.824 1.00 0.00 O ATOM 0 H GLU A 51 -16.324 5.553 -9.529 1.00 0.00 H new ATOM 0 HA GLU A 51 -15.265 4.439 -11.863 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -13.247 5.507 -11.215 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.533 6.518 -10.587 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.282 4.395 -8.844 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -12.478 5.934 -9.076 1.00 0.00 H new ATOM 731 N GLU A 52 -13.546 2.598 -11.177 1.00 0.00 N ATOM 732 CA GLU A 52 -12.923 1.307 -10.906 1.00 0.00 C ATOM 733 C GLU A 52 -11.721 1.466 -9.979 1.00 0.00 C ATOM 734 O GLU A 52 -11.258 2.579 -9.733 1.00 0.00 O ATOM 735 CB GLU A 52 -12.488 0.641 -12.213 1.00 0.00 C ATOM 736 CG GLU A 52 -11.289 1.308 -12.866 1.00 0.00 C ATOM 737 CD GLU A 52 -11.664 2.560 -13.634 1.00 0.00 C ATOM 738 OE1 GLU A 52 -12.743 2.571 -14.262 1.00 0.00 O ATOM 739 OE2 GLU A 52 -10.877 3.530 -13.607 1.00 0.00 O ATOM 0 H GLU A 52 -13.187 3.075 -12.004 1.00 0.00 H new ATOM 0 HA GLU A 52 -13.660 0.674 -10.412 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -12.249 -0.404 -12.017 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -13.324 0.651 -12.912 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.557 1.562 -12.099 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -10.809 0.601 -13.543 1.00 0.00 H new ATOM 746 N GLU A 53 -11.222 0.345 -9.469 1.00 0.00 N ATOM 747 CA GLU A 53 -10.076 0.360 -8.568 1.00 0.00 C ATOM 748 C GLU A 53 -8.775 0.536 -9.347 1.00 0.00 C ATOM 749 O GLU A 53 -8.688 0.175 -10.520 1.00 0.00 O ATOM 750 CB GLU A 53 -10.023 -0.933 -7.752 1.00 0.00 C ATOM 751 CG GLU A 53 -11.362 -1.331 -7.155 1.00 0.00 C ATOM 752 CD GLU A 53 -11.749 -0.473 -5.965 1.00 0.00 C ATOM 753 OE1 GLU A 53 -11.636 0.767 -6.066 1.00 0.00 O ATOM 754 OE2 GLU A 53 -12.164 -1.042 -4.934 1.00 0.00 O ATOM 0 H GLU A 53 -11.593 -0.585 -9.664 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.191 1.205 -7.889 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -9.665 -1.741 -8.390 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -9.297 -0.816 -6.948 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -12.134 -1.254 -7.920 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -11.322 -2.376 -6.847 1.00 0.00 H new ATOM 761 N ARG A 54 -7.767 1.094 -8.684 1.00 0.00 N ATOM 762 CA ARG A 54 -6.471 1.320 -9.314 1.00 0.00 C ATOM 763 C ARG A 54 -5.432 0.335 -8.788 1.00 0.00 C ATOM 764 O ARG A 54 -5.515 -0.120 -7.647 1.00 0.00 O ATOM 765 CB ARG A 54 -6.002 2.755 -9.063 1.00 0.00 C ATOM 766 CG ARG A 54 -4.582 3.022 -9.533 1.00 0.00 C ATOM 767 CD ARG A 54 -4.035 4.315 -8.948 1.00 0.00 C ATOM 768 NE ARG A 54 -2.663 4.573 -9.378 1.00 0.00 N ATOM 769 CZ ARG A 54 -2.015 5.704 -9.126 1.00 0.00 C ATOM 770 NH1 ARG A 54 -2.610 6.677 -8.450 1.00 0.00 N ATOM 771 NH2 ARG A 54 -0.768 5.864 -9.550 1.00 0.00 N ATOM 0 H ARG A 54 -7.823 1.398 -7.712 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.584 1.164 -10.387 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.679 3.443 -9.569 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.069 2.969 -7.996 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.940 2.190 -9.244 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.562 3.077 -10.621 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.672 5.147 -9.249 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.070 4.264 -7.860 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.176 3.845 -9.900 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.568 6.558 -8.122 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.109 7.545 -8.258 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.306 5.118 -10.070 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.271 6.733 -9.356 1.00 0.00 H new ATOM 785 N GLU A 55 -4.455 0.008 -9.628 1.00 0.00 N ATOM 786 CA GLU A 55 -3.401 -0.925 -9.248 1.00 0.00 C ATOM 787 C GLU A 55 -2.074 -0.541 -9.898 1.00 0.00 C ATOM 788 O GLU A 55 -2.036 -0.119 -11.054 1.00 0.00 O ATOM 789 CB GLU A 55 -3.784 -2.351 -9.647 1.00 0.00 C ATOM 790 CG GLU A 55 -3.604 -2.638 -11.128 1.00 0.00 C ATOM 791 CD GLU A 55 -4.751 -2.112 -11.968 1.00 0.00 C ATOM 792 OE1 GLU A 55 -5.859 -2.682 -11.881 1.00 0.00 O ATOM 793 OE2 GLU A 55 -4.542 -1.131 -12.712 1.00 0.00 O ATOM 0 H GLU A 55 -4.372 0.375 -10.576 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.282 -0.878 -8.166 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.180 -3.054 -9.073 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.825 -2.528 -9.375 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.672 -2.189 -11.471 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.513 -3.714 -11.277 1.00 0.00 H new ATOM 800 N VAL A 56 -0.988 -0.692 -9.146 1.00 0.00 N ATOM 801 CA VAL A 56 0.340 -0.362 -9.648 1.00 0.00 C ATOM 802 C VAL A 56 1.373 -1.380 -9.177 1.00 0.00 C ATOM 803 O VAL A 56 1.132 -2.131 -8.233 1.00 0.00 O ATOM 804 CB VAL A 56 0.778 1.044 -9.196 1.00 0.00 C ATOM 805 CG1 VAL A 56 -0.143 2.103 -9.780 1.00 0.00 C ATOM 806 CG2 VAL A 56 0.808 1.130 -7.678 1.00 0.00 C ATOM 0 H VAL A 56 -1.002 -1.041 -8.188 1.00 0.00 H new ATOM 0 HA VAL A 56 0.282 -0.384 -10.736 1.00 0.00 H new ATOM 0 HB VAL A 56 1.786 1.229 -9.567 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.182 3.090 -9.450 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.109 2.055 -10.868 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.163 1.925 -9.441 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.120 2.130 -7.376 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.187 0.925 -7.282 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.513 0.397 -7.286 1.00 0.00 H new ATOM 816 N GLN A 57 2.524 -1.398 -9.842 1.00 0.00 N ATOM 817 CA GLN A 57 3.594 -2.324 -9.491 1.00 0.00 C ATOM 818 C GLN A 57 4.858 -1.569 -9.091 1.00 0.00 C ATOM 819 O GLN A 57 5.239 -0.592 -9.735 1.00 0.00 O ATOM 820 CB GLN A 57 3.894 -3.258 -10.664 1.00 0.00 C ATOM 821 CG GLN A 57 2.977 -4.470 -10.726 1.00 0.00 C ATOM 822 CD GLN A 57 2.998 -5.149 -12.082 1.00 0.00 C ATOM 823 OE1 GLN A 57 2.548 -4.584 -13.079 1.00 0.00 O ATOM 824 NE2 GLN A 57 3.523 -6.368 -12.126 1.00 0.00 N ATOM 0 H GLN A 57 2.739 -0.782 -10.626 1.00 0.00 H new ATOM 0 HA GLN A 57 3.262 -2.917 -8.639 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.806 -2.698 -11.595 1.00 0.00 H new ATOM 0 HB3 GLN A 57 4.927 -3.598 -10.592 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.276 -5.186 -9.961 1.00 0.00 H new ATOM 0 HG3 GLN A 57 1.958 -4.162 -10.494 1.00 0.00 H new ATOM 0 HE21 GLN A 57 3.885 -6.799 -11.275 1.00 0.00 H new ATOM 0 HE22 GLN A 57 3.565 -6.874 -13.011 1.00 0.00 H new ATOM 833 N VAL A 58 5.503 -2.030 -8.024 1.00 0.00 N ATOM 834 CA VAL A 58 6.725 -1.399 -7.539 1.00 0.00 C ATOM 835 C VAL A 58 7.774 -2.442 -7.171 1.00 0.00 C ATOM 836 O VAL A 58 7.472 -3.435 -6.510 1.00 0.00 O ATOM 837 CB VAL A 58 6.448 -0.510 -6.312 1.00 0.00 C ATOM 838 CG1 VAL A 58 5.531 0.645 -6.684 1.00 0.00 C ATOM 839 CG2 VAL A 58 5.849 -1.334 -5.182 1.00 0.00 C ATOM 0 H VAL A 58 5.200 -2.837 -7.479 1.00 0.00 H new ATOM 0 HA VAL A 58 7.104 -0.778 -8.351 1.00 0.00 H new ATOM 0 HB VAL A 58 7.394 -0.094 -5.966 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.347 1.262 -5.804 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.003 1.250 -7.458 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.585 0.253 -7.056 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.660 -0.690 -4.323 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.912 -1.780 -5.514 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.546 -2.123 -4.898 1.00 0.00 H new ATOM 849 N GLY A 59 9.009 -2.210 -7.604 1.00 0.00 N ATOM 850 CA GLY A 59 10.085 -3.139 -7.310 1.00 0.00 C ATOM 851 C GLY A 59 10.427 -3.181 -5.834 1.00 0.00 C ATOM 852 O GLY A 59 10.874 -4.209 -5.323 1.00 0.00 O ATOM 0 H GLY A 59 9.284 -1.396 -8.153 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.800 -4.137 -7.642 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.971 -2.855 -7.877 1.00 0.00 H new ATOM 856 N ARG A 60 10.219 -2.063 -5.147 1.00 0.00 N ATOM 857 CA ARG A 60 10.511 -1.976 -3.722 1.00 0.00 C ATOM 858 C ARG A 60 9.229 -2.056 -2.898 1.00 0.00 C ATOM 859 O ARG A 60 8.138 -1.738 -3.371 1.00 0.00 O ATOM 860 CB ARG A 60 11.250 -0.673 -3.409 1.00 0.00 C ATOM 861 CG ARG A 60 12.079 -0.150 -4.571 1.00 0.00 C ATOM 862 CD ARG A 60 13.296 0.621 -4.084 1.00 0.00 C ATOM 863 NE ARG A 60 14.275 -0.252 -3.442 1.00 0.00 N ATOM 864 CZ ARG A 60 15.562 0.054 -3.315 1.00 0.00 C ATOM 865 NH1 ARG A 60 16.021 1.206 -3.784 1.00 0.00 N ATOM 866 NH2 ARG A 60 16.391 -0.792 -2.719 1.00 0.00 N ATOM 0 H ARG A 60 9.849 -1.204 -5.555 1.00 0.00 H new ATOM 0 HA ARG A 60 11.147 -2.820 -3.456 1.00 0.00 H new ATOM 0 HB2 ARG A 60 10.524 0.087 -3.121 1.00 0.00 H new ATOM 0 HB3 ARG A 60 11.903 -0.832 -2.551 1.00 0.00 H new ATOM 0 HG2 ARG A 60 12.401 -0.984 -5.194 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.464 0.497 -5.197 1.00 0.00 H new ATOM 0 HD2 ARG A 60 13.763 1.132 -4.926 1.00 0.00 H new ATOM 0 HD3 ARG A 60 12.980 1.391 -3.380 1.00 0.00 H new ATOM 0 HE ARG A 60 13.953 -1.146 -3.071 1.00 0.00 H new ATOM 0 HH11 ARG A 60 15.386 1.859 -4.243 1.00 0.00 H new ATOM 0 HH12 ARG A 60 17.009 1.439 -3.686 1.00 0.00 H new ATOM 0 HH21 ARG A 60 16.041 -1.679 -2.357 1.00 0.00 H new ATOM 0 HH22 ARG A 60 17.379 -0.556 -2.622 1.00 0.00 H new ATOM 880 N PRO A 61 9.362 -2.492 -1.636 1.00 0.00 N ATOM 881 CA PRO A 61 8.225 -2.624 -0.720 1.00 0.00 C ATOM 882 C PRO A 61 7.661 -1.272 -0.298 1.00 0.00 C ATOM 883 O PRO A 61 6.742 -1.200 0.517 1.00 0.00 O ATOM 884 CB PRO A 61 8.824 -3.353 0.485 1.00 0.00 C ATOM 885 CG PRO A 61 10.275 -3.019 0.448 1.00 0.00 C ATOM 886 CD PRO A 61 10.633 -2.888 -1.007 1.00 0.00 C ATOM 0 HA PRO A 61 7.389 -3.149 -1.181 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.365 -3.021 1.416 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.664 -4.429 0.416 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.476 -2.092 0.984 1.00 0.00 H new ATOM 0 HG3 PRO A 61 10.867 -3.799 0.927 1.00 0.00 H new ATOM 0 HD2 PRO A 61 11.410 -2.139 -1.164 1.00 0.00 H new ATOM 0 HD3 PRO A 61 11.008 -3.827 -1.415 1.00 0.00 H new ATOM 894 N GLU A 62 8.217 -0.202 -0.859 1.00 0.00 N ATOM 895 CA GLU A 62 7.768 1.148 -0.539 1.00 0.00 C ATOM 896 C GLU A 62 6.989 1.752 -1.703 1.00 0.00 C ATOM 897 O GLU A 62 7.516 1.905 -2.805 1.00 0.00 O ATOM 898 CB GLU A 62 8.963 2.039 -0.194 1.00 0.00 C ATOM 899 CG GLU A 62 9.676 2.599 -1.413 1.00 0.00 C ATOM 900 CD GLU A 62 11.042 3.167 -1.079 1.00 0.00 C ATOM 901 OE1 GLU A 62 11.102 4.169 -0.336 1.00 0.00 O ATOM 902 OE2 GLU A 62 12.051 2.611 -1.561 1.00 0.00 O ATOM 0 H GLU A 62 8.978 -0.244 -1.537 1.00 0.00 H new ATOM 0 HA GLU A 62 7.107 1.088 0.326 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.621 2.866 0.428 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.674 1.465 0.401 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.786 1.812 -2.159 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.062 3.379 -1.862 1.00 0.00 H new ATOM 909 N VAL A 63 5.729 2.095 -1.451 1.00 0.00 N ATOM 910 CA VAL A 63 4.876 2.683 -2.477 1.00 0.00 C ATOM 911 C VAL A 63 4.441 4.092 -2.088 1.00 0.00 C ATOM 912 O VAL A 63 4.171 4.370 -0.919 1.00 0.00 O ATOM 913 CB VAL A 63 3.624 1.822 -2.727 1.00 0.00 C ATOM 914 CG1 VAL A 63 2.799 1.696 -1.456 1.00 0.00 C ATOM 915 CG2 VAL A 63 2.792 2.409 -3.857 1.00 0.00 C ATOM 0 H VAL A 63 5.277 1.976 -0.545 1.00 0.00 H new ATOM 0 HA VAL A 63 5.466 2.727 -3.392 1.00 0.00 H new ATOM 0 HB VAL A 63 3.944 0.823 -3.023 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.919 1.084 -1.653 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.400 1.227 -0.677 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.486 2.686 -1.126 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.911 1.788 -4.021 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.480 3.419 -3.592 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.388 2.441 -4.769 1.00 0.00 H new ATOM 925 N LEU A 64 4.375 4.978 -3.076 1.00 0.00 N ATOM 926 CA LEU A 64 3.972 6.360 -2.838 1.00 0.00 C ATOM 927 C LEU A 64 2.860 6.775 -3.796 1.00 0.00 C ATOM 928 O LEU A 64 3.101 7.004 -4.982 1.00 0.00 O ATOM 929 CB LEU A 64 5.171 7.296 -2.995 1.00 0.00 C ATOM 930 CG LEU A 64 4.855 8.792 -3.027 1.00 0.00 C ATOM 931 CD1 LEU A 64 4.194 9.226 -1.728 1.00 0.00 C ATOM 932 CD2 LEU A 64 6.121 9.598 -3.279 1.00 0.00 C ATOM 0 H LEU A 64 4.595 4.764 -4.049 1.00 0.00 H new ATOM 0 HA LEU A 64 3.594 6.432 -1.818 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.863 7.109 -2.174 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.692 7.035 -3.916 1.00 0.00 H new ATOM 0 HG LEU A 64 4.159 8.980 -3.845 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.977 10.293 -1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.266 8.672 -1.589 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.865 9.024 -0.893 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.878 10.660 -3.299 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.840 9.405 -2.483 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.553 9.307 -4.236 1.00 0.00 H new ATOM 944 N LEU A 65 1.642 6.871 -3.274 1.00 0.00 N ATOM 945 CA LEU A 65 0.492 7.262 -4.082 1.00 0.00 C ATOM 946 C LEU A 65 0.361 8.780 -4.146 1.00 0.00 C ATOM 947 O LEU A 65 0.401 9.460 -3.120 1.00 0.00 O ATOM 948 CB LEU A 65 -0.789 6.651 -3.510 1.00 0.00 C ATOM 949 CG LEU A 65 -0.806 5.128 -3.379 1.00 0.00 C ATOM 950 CD1 LEU A 65 -1.857 4.691 -2.371 1.00 0.00 C ATOM 951 CD2 LEU A 65 -1.060 4.479 -4.732 1.00 0.00 C ATOM 0 H LEU A 65 1.425 6.683 -2.295 1.00 0.00 H new ATOM 0 HA LEU A 65 0.646 6.887 -5.094 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.965 7.082 -2.525 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.625 6.951 -4.143 1.00 0.00 H new ATOM 0 HG LEU A 65 0.170 4.803 -3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.855 3.604 -2.291 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.631 5.127 -1.398 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.840 5.028 -2.701 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.069 3.395 -4.620 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.023 4.811 -5.120 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.271 4.765 -5.427 1.00 0.00 H new ATOM 963 N ASP A 66 0.202 9.305 -5.356 1.00 0.00 N ATOM 964 CA ASP A 66 0.061 10.743 -5.553 1.00 0.00 C ATOM 965 C ASP A 66 -1.354 11.094 -6.002 1.00 0.00 C ATOM 966 O ASP A 66 -2.133 10.218 -6.376 1.00 0.00 O ATOM 967 CB ASP A 66 1.075 11.239 -6.585 1.00 0.00 C ATOM 968 CG ASP A 66 0.699 10.847 -8.001 1.00 0.00 C ATOM 969 OD1 ASP A 66 -0.298 11.389 -8.521 1.00 0.00 O ATOM 970 OD2 ASP A 66 1.402 9.998 -8.588 1.00 0.00 O ATOM 0 H ASP A 66 0.168 8.756 -6.215 1.00 0.00 H new ATOM 0 HA ASP A 66 0.253 11.236 -4.600 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.154 12.324 -6.520 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.059 10.833 -6.348 1.00 0.00 H new ATOM 975 N GLY A 67 -1.680 12.382 -5.962 1.00 0.00 N ATOM 976 CA GLY A 67 -3.001 12.826 -6.366 1.00 0.00 C ATOM 977 C GLY A 67 -4.101 12.218 -5.519 1.00 0.00 C ATOM 978 O GLY A 67 -4.873 11.384 -5.995 1.00 0.00 O ATOM 0 H GLY A 67 -1.053 13.126 -5.657 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.052 13.913 -6.297 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.165 12.564 -7.411 1.00 0.00 H new ATOM 982 N LEU A 68 -4.174 12.634 -4.259 1.00 0.00 N ATOM 983 CA LEU A 68 -5.188 12.123 -3.343 1.00 0.00 C ATOM 984 C LEU A 68 -5.879 13.265 -2.604 1.00 0.00 C ATOM 985 O LEU A 68 -5.400 14.398 -2.607 1.00 0.00 O ATOM 986 CB LEU A 68 -4.555 11.160 -2.337 1.00 0.00 C ATOM 987 CG LEU A 68 -3.794 9.974 -2.931 1.00 0.00 C ATOM 988 CD1 LEU A 68 -2.899 9.335 -1.881 1.00 0.00 C ATOM 989 CD2 LEU A 68 -4.763 8.950 -3.504 1.00 0.00 C ATOM 0 H LEU A 68 -3.544 13.323 -3.849 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.936 11.588 -3.929 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.871 11.725 -1.704 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.342 10.774 -1.689 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.164 10.341 -3.742 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.365 8.493 -2.322 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.181 10.070 -1.519 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.509 8.983 -1.049 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.203 8.113 -3.922 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.420 8.588 -2.713 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.361 9.414 -4.288 1.00 0.00 H new ATOM 1001 N GLU A 69 -7.007 12.957 -1.972 1.00 0.00 N ATOM 1002 CA GLU A 69 -7.763 13.958 -1.228 1.00 0.00 C ATOM 1003 C GLU A 69 -7.561 13.787 0.275 1.00 0.00 C ATOM 1004 O GLU A 69 -7.471 12.673 0.791 1.00 0.00 O ATOM 1005 CB GLU A 69 -9.252 13.862 -1.568 1.00 0.00 C ATOM 1006 CG GLU A 69 -9.653 14.681 -2.784 1.00 0.00 C ATOM 1007 CD GLU A 69 -9.514 16.173 -2.554 1.00 0.00 C ATOM 1008 OE1 GLU A 69 -8.367 16.666 -2.538 1.00 0.00 O ATOM 1009 OE2 GLU A 69 -10.552 16.847 -2.388 1.00 0.00 O ATOM 0 H GLU A 69 -7.417 12.023 -1.960 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.395 14.942 -1.517 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.509 12.817 -1.743 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.834 14.194 -0.709 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.036 14.389 -3.634 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.686 14.452 -3.047 1.00 0.00 H new ATOM 1016 N PRO A 70 -7.487 14.916 0.994 1.00 0.00 N ATOM 1017 CA PRO A 70 -7.295 14.918 2.447 1.00 0.00 C ATOM 1018 C PRO A 70 -8.522 14.407 3.195 1.00 0.00 C ATOM 1019 O PRO A 70 -9.656 14.627 2.771 1.00 0.00 O ATOM 1020 CB PRO A 70 -7.049 16.394 2.770 1.00 0.00 C ATOM 1021 CG PRO A 70 -7.720 17.140 1.669 1.00 0.00 C ATOM 1022 CD PRO A 70 -7.586 16.279 0.444 1.00 0.00 C ATOM 0 HA PRO A 70 -6.482 14.259 2.751 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -7.466 16.662 3.741 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.983 16.619 2.808 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -8.768 17.323 1.904 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.253 18.113 1.515 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -8.446 16.384 -0.217 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -6.703 16.543 -0.138 1.00 0.00 H new ATOM 1030 N GLY A 71 -8.287 13.722 4.310 1.00 0.00 N ATOM 1031 CA GLY A 71 -9.382 13.191 5.099 1.00 0.00 C ATOM 1032 C GLY A 71 -10.134 12.089 4.379 1.00 0.00 C ATOM 1033 O GLY A 71 -11.365 12.058 4.390 1.00 0.00 O ATOM 0 H GLY A 71 -7.357 13.526 4.681 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.993 12.806 6.042 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.073 13.997 5.345 1.00 0.00 H new ATOM 1037 N ARG A 72 -9.393 11.183 3.749 1.00 0.00 N ATOM 1038 CA ARG A 72 -9.997 10.076 3.017 1.00 0.00 C ATOM 1039 C ARG A 72 -9.222 8.783 3.250 1.00 0.00 C ATOM 1040 O ARG A 72 -7.997 8.752 3.130 1.00 0.00 O ATOM 1041 CB ARG A 72 -10.047 10.392 1.521 1.00 0.00 C ATOM 1042 CG ARG A 72 -11.211 9.736 0.798 1.00 0.00 C ATOM 1043 CD ARG A 72 -12.463 10.597 0.861 1.00 0.00 C ATOM 1044 NE ARG A 72 -13.194 10.409 2.111 1.00 0.00 N ATOM 1045 CZ ARG A 72 -13.968 9.358 2.359 1.00 0.00 C ATOM 1046 NH1 ARG A 72 -14.110 8.405 1.448 1.00 0.00 N ATOM 1047 NH2 ARG A 72 -14.601 9.258 3.521 1.00 0.00 N ATOM 0 H ARG A 72 -8.373 11.194 3.731 1.00 0.00 H new ATOM 0 HA ARG A 72 -11.014 9.941 3.386 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.110 11.472 1.389 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -9.114 10.068 1.059 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -10.941 9.560 -0.243 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.415 8.762 1.243 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -12.187 11.646 0.757 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -13.113 10.353 0.021 1.00 0.00 H new ATOM 0 HE ARG A 72 -13.106 11.124 2.833 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -13.624 8.478 0.554 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -14.705 7.599 1.641 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -14.494 9.988 4.225 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -15.195 8.451 3.710 1.00 0.00 H new ATOM 1061 N ASP A 73 -9.943 7.719 3.583 1.00 0.00 N ATOM 1062 CA ASP A 73 -9.323 6.422 3.831 1.00 0.00 C ATOM 1063 C ASP A 73 -9.216 5.615 2.542 1.00 0.00 C ATOM 1064 O ASP A 73 -10.168 5.539 1.764 1.00 0.00 O ATOM 1065 CB ASP A 73 -10.126 5.640 4.872 1.00 0.00 C ATOM 1066 CG ASP A 73 -9.970 6.208 6.269 1.00 0.00 C ATOM 1067 OD1 ASP A 73 -10.323 7.388 6.473 1.00 0.00 O ATOM 1068 OD2 ASP A 73 -9.494 5.472 7.160 1.00 0.00 O ATOM 0 H ASP A 73 -10.958 7.728 3.688 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.317 6.595 4.214 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -11.180 5.649 4.595 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.804 4.599 4.868 1.00 0.00 H new ATOM 1073 N TYR A 74 -8.052 5.014 2.321 1.00 0.00 N ATOM 1074 CA TYR A 74 -7.820 4.215 1.123 1.00 0.00 C ATOM 1075 C TYR A 74 -7.325 2.819 1.488 1.00 0.00 C ATOM 1076 O TYR A 74 -6.263 2.663 2.090 1.00 0.00 O ATOM 1077 CB TYR A 74 -6.804 4.906 0.213 1.00 0.00 C ATOM 1078 CG TYR A 74 -7.262 6.257 -0.290 1.00 0.00 C ATOM 1079 CD1 TYR A 74 -8.082 6.363 -1.407 1.00 0.00 C ATOM 1080 CD2 TYR A 74 -6.876 7.427 0.353 1.00 0.00 C ATOM 1081 CE1 TYR A 74 -8.502 7.595 -1.870 1.00 0.00 C ATOM 1082 CE2 TYR A 74 -7.292 8.663 -0.103 1.00 0.00 C ATOM 1083 CZ TYR A 74 -8.105 8.741 -1.214 1.00 0.00 C ATOM 1084 OH TYR A 74 -8.523 9.970 -1.672 1.00 0.00 O ATOM 0 H TYR A 74 -7.255 5.065 2.955 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.767 4.118 0.592 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.867 5.028 0.756 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.596 4.261 -0.641 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.396 5.467 -1.922 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.240 7.369 1.224 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -9.138 7.660 -2.741 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -6.982 9.563 0.408 1.00 0.00 H new ATOM 0 HH TYR A 74 -9.399 9.878 -2.101 1.00 0.00 H new ATOM 1094 N GLU A 75 -8.103 1.807 1.118 1.00 0.00 N ATOM 1095 CA GLU A 75 -7.745 0.423 1.406 1.00 0.00 C ATOM 1096 C GLU A 75 -6.616 -0.048 0.494 1.00 0.00 C ATOM 1097 O GLU A 75 -6.846 -0.776 -0.473 1.00 0.00 O ATOM 1098 CB GLU A 75 -8.963 -0.488 1.241 1.00 0.00 C ATOM 1099 CG GLU A 75 -9.939 -0.416 2.403 1.00 0.00 C ATOM 1100 CD GLU A 75 -11.293 -1.010 2.066 1.00 0.00 C ATOM 1101 OE1 GLU A 75 -11.739 -0.848 0.911 1.00 0.00 O ATOM 1102 OE2 GLU A 75 -11.906 -1.635 2.956 1.00 0.00 O ATOM 0 H GLU A 75 -8.985 1.919 0.618 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.400 0.372 2.439 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.485 -0.220 0.322 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.623 -1.517 1.126 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.518 -0.943 3.259 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.067 0.625 2.701 1.00 0.00 H new ATOM 1109 N VAL A 76 -5.395 0.373 0.807 1.00 0.00 N ATOM 1110 CA VAL A 76 -4.230 -0.005 0.016 1.00 0.00 C ATOM 1111 C VAL A 76 -3.801 -1.436 0.319 1.00 0.00 C ATOM 1112 O VAL A 76 -3.339 -1.737 1.420 1.00 0.00 O ATOM 1113 CB VAL A 76 -3.043 0.941 0.278 1.00 0.00 C ATOM 1114 CG1 VAL A 76 -1.872 0.593 -0.629 1.00 0.00 C ATOM 1115 CG2 VAL A 76 -3.465 2.390 0.085 1.00 0.00 C ATOM 0 H VAL A 76 -5.187 0.976 1.603 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.521 0.070 -1.032 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.721 0.814 1.312 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.043 1.272 -0.429 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.556 -0.432 -0.437 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.177 0.690 -1.671 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.614 3.045 0.274 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.814 2.534 -0.938 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.269 2.630 0.780 1.00 0.00 H new ATOM 1125 N SER A 77 -3.956 -2.316 -0.665 1.00 0.00 N ATOM 1126 CA SER A 77 -3.588 -3.718 -0.503 1.00 0.00 C ATOM 1127 C SER A 77 -2.240 -4.005 -1.157 1.00 0.00 C ATOM 1128 O SER A 77 -1.927 -3.469 -2.221 1.00 0.00 O ATOM 1129 CB SER A 77 -4.664 -4.623 -1.107 1.00 0.00 C ATOM 1130 OG SER A 77 -4.188 -5.949 -1.259 1.00 0.00 O ATOM 0 H SER A 77 -4.334 -2.083 -1.583 1.00 0.00 H new ATOM 0 HA SER A 77 -3.506 -3.925 0.564 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.546 -4.621 -0.467 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.972 -4.230 -2.076 1.00 0.00 H new ATOM 0 HG SER A 77 -4.634 -6.371 -2.022 1.00 0.00 H new ATOM 1136 N VAL A 78 -1.446 -4.853 -0.513 1.00 0.00 N ATOM 1137 CA VAL A 78 -0.131 -5.213 -1.032 1.00 0.00 C ATOM 1138 C VAL A 78 -0.022 -6.718 -1.255 1.00 0.00 C ATOM 1139 O VAL A 78 -0.608 -7.508 -0.516 1.00 0.00 O ATOM 1140 CB VAL A 78 0.991 -4.764 -0.077 1.00 0.00 C ATOM 1141 CG1 VAL A 78 2.353 -5.135 -0.643 1.00 0.00 C ATOM 1142 CG2 VAL A 78 0.902 -3.268 0.182 1.00 0.00 C ATOM 0 H VAL A 78 -1.689 -5.304 0.369 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.014 -4.698 -1.985 1.00 0.00 H new ATOM 0 HB VAL A 78 0.865 -5.282 0.874 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.134 -4.810 0.045 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.411 -6.216 -0.773 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.492 -4.645 -1.607 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.702 -2.968 0.859 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.002 -2.729 -0.760 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -0.062 -3.034 0.633 1.00 0.00 H new ATOM 1152 N GLN A 79 0.733 -7.105 -2.278 1.00 0.00 N ATOM 1153 CA GLN A 79 0.919 -8.515 -2.599 1.00 0.00 C ATOM 1154 C GLN A 79 2.268 -8.747 -3.271 1.00 0.00 C ATOM 1155 O GLN A 79 2.577 -8.136 -4.293 1.00 0.00 O ATOM 1156 CB GLN A 79 -0.209 -9.006 -3.508 1.00 0.00 C ATOM 1157 CG GLN A 79 0.060 -10.368 -4.129 1.00 0.00 C ATOM 1158 CD GLN A 79 -1.188 -10.997 -4.717 1.00 0.00 C ATOM 1159 OE1 GLN A 79 -2.239 -11.037 -4.077 1.00 0.00 O ATOM 1160 NE2 GLN A 79 -1.078 -11.493 -5.944 1.00 0.00 N ATOM 0 H GLN A 79 1.226 -6.462 -2.898 1.00 0.00 H new ATOM 0 HA GLN A 79 0.897 -9.080 -1.667 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -1.133 -9.054 -2.932 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.367 -8.278 -4.304 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.813 -10.265 -4.910 1.00 0.00 H new ATOM 0 HG3 GLN A 79 0.475 -11.033 -3.372 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.187 -11.438 -6.438 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -1.884 -11.929 -6.392 1.00 0.00 H new ATOM 1169 N SER A 80 3.069 -9.635 -2.689 1.00 0.00 N ATOM 1170 CA SER A 80 4.387 -9.945 -3.229 1.00 0.00 C ATOM 1171 C SER A 80 4.273 -10.835 -4.463 1.00 0.00 C ATOM 1172 O SER A 80 3.641 -11.892 -4.425 1.00 0.00 O ATOM 1173 CB SER A 80 5.248 -10.633 -2.168 1.00 0.00 C ATOM 1174 OG SER A 80 4.499 -11.601 -1.454 1.00 0.00 O ATOM 0 H SER A 80 2.827 -10.152 -1.844 1.00 0.00 H new ATOM 0 HA SER A 80 4.862 -9.008 -3.520 1.00 0.00 H new ATOM 0 HB2 SER A 80 6.105 -11.110 -2.644 1.00 0.00 H new ATOM 0 HB3 SER A 80 5.641 -9.889 -1.475 1.00 0.00 H new ATOM 0 HG SER A 80 5.072 -12.028 -0.783 1.00 0.00 H new ATOM 1180 N LEU A 81 4.888 -10.400 -5.557 1.00 0.00 N ATOM 1181 CA LEU A 81 4.857 -11.156 -6.804 1.00 0.00 C ATOM 1182 C LEU A 81 6.196 -11.840 -7.060 1.00 0.00 C ATOM 1183 O LEU A 81 7.245 -11.196 -7.049 1.00 0.00 O ATOM 1184 CB LEU A 81 4.511 -10.233 -7.974 1.00 0.00 C ATOM 1185 CG LEU A 81 3.028 -9.905 -8.155 1.00 0.00 C ATOM 1186 CD1 LEU A 81 2.204 -11.181 -8.228 1.00 0.00 C ATOM 1187 CD2 LEU A 81 2.537 -9.016 -7.022 1.00 0.00 C ATOM 0 H LEU A 81 5.414 -9.528 -5.606 1.00 0.00 H new ATOM 0 HA LEU A 81 4.089 -11.924 -6.715 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.056 -9.298 -7.846 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.876 -10.692 -8.893 1.00 0.00 H new ATOM 0 HG LEU A 81 2.907 -9.364 -9.094 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.152 -10.928 -8.357 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.539 -11.782 -9.073 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.330 -11.749 -7.306 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.480 -8.793 -7.167 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.672 -9.531 -6.071 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.107 -8.087 -7.016 1.00 0.00 H new ATOM 1199 N ARG A 82 6.152 -13.148 -7.292 1.00 0.00 N ATOM 1200 CA ARG A 82 7.361 -13.919 -7.552 1.00 0.00 C ATOM 1201 C ARG A 82 7.186 -14.808 -8.780 1.00 0.00 C ATOM 1202 O ARG A 82 7.822 -15.854 -8.897 1.00 0.00 O ATOM 1203 CB ARG A 82 7.716 -14.776 -6.335 1.00 0.00 C ATOM 1204 CG ARG A 82 9.201 -15.081 -6.218 1.00 0.00 C ATOM 1205 CD ARG A 82 9.443 -16.410 -5.520 1.00 0.00 C ATOM 1206 NE ARG A 82 10.841 -16.580 -5.135 1.00 0.00 N ATOM 1207 CZ ARG A 82 11.414 -17.764 -4.948 1.00 0.00 C ATOM 1208 NH1 ARG A 82 10.711 -18.876 -5.111 1.00 0.00 N ATOM 1209 NH2 ARG A 82 12.692 -17.836 -4.598 1.00 0.00 N ATOM 0 H ARG A 82 5.292 -13.696 -7.305 1.00 0.00 H new ATOM 0 HA ARG A 82 8.174 -13.219 -7.745 1.00 0.00 H new ATOM 0 HB2 ARG A 82 7.387 -14.263 -5.431 1.00 0.00 H new ATOM 0 HB3 ARG A 82 7.164 -15.714 -6.388 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.648 -15.104 -7.212 1.00 0.00 H new ATOM 0 HG3 ARG A 82 9.695 -14.283 -5.664 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.813 -16.474 -4.633 1.00 0.00 H new ATOM 0 HD3 ARG A 82 9.147 -17.225 -6.180 1.00 0.00 H new ATOM 0 HE ARG A 82 11.409 -15.743 -5.002 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.729 -18.823 -5.380 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.152 -19.784 -4.967 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.235 -16.982 -4.472 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.131 -18.745 -4.455 1.00 0.00 H new ATOM 1223 N GLY A 83 6.318 -14.382 -9.693 1.00 0.00 N ATOM 1224 CA GLY A 83 6.074 -15.151 -10.899 1.00 0.00 C ATOM 1225 C GLY A 83 4.629 -15.078 -11.351 1.00 0.00 C ATOM 1226 O GLY A 83 3.978 -14.038 -11.256 1.00 0.00 O ATOM 0 H GLY A 83 5.780 -13.519 -9.619 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.720 -14.784 -11.697 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.344 -16.192 -10.723 1.00 0.00 H new ATOM 1230 N PRO A 84 4.106 -16.204 -11.859 1.00 0.00 N ATOM 1231 CA PRO A 84 2.724 -16.289 -12.339 1.00 0.00 C ATOM 1232 C PRO A 84 1.710 -16.214 -11.202 1.00 0.00 C ATOM 1233 O PRO A 84 0.527 -15.964 -11.429 1.00 0.00 O ATOM 1234 CB PRO A 84 2.667 -17.660 -13.016 1.00 0.00 C ATOM 1235 CG PRO A 84 3.733 -18.457 -12.349 1.00 0.00 C ATOM 1236 CD PRO A 84 4.824 -17.482 -12.003 1.00 0.00 C ATOM 0 HA PRO A 84 2.471 -15.461 -13.001 1.00 0.00 H new ATOM 0 HB2 PRO A 84 1.689 -18.123 -12.889 1.00 0.00 H new ATOM 0 HB3 PRO A 84 2.845 -17.580 -14.088 1.00 0.00 H new ATOM 0 HG2 PRO A 84 3.351 -18.948 -11.454 1.00 0.00 H new ATOM 0 HG3 PRO A 84 4.105 -19.241 -13.009 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.336 -17.762 -11.082 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.581 -17.432 -12.786 1.00 0.00 H new ATOM 1244 N GLU A 85 2.182 -16.432 -9.978 1.00 0.00 N ATOM 1245 CA GLU A 85 1.315 -16.390 -8.807 1.00 0.00 C ATOM 1246 C GLU A 85 1.876 -15.443 -7.749 1.00 0.00 C ATOM 1247 O GLU A 85 3.090 -15.310 -7.600 1.00 0.00 O ATOM 1248 CB GLU A 85 1.150 -17.791 -8.216 1.00 0.00 C ATOM 1249 CG GLU A 85 2.464 -18.444 -7.822 1.00 0.00 C ATOM 1250 CD GLU A 85 2.267 -19.691 -6.981 1.00 0.00 C ATOM 1251 OE1 GLU A 85 1.926 -20.746 -7.557 1.00 0.00 O ATOM 1252 OE2 GLU A 85 2.454 -19.612 -5.749 1.00 0.00 O ATOM 0 H GLU A 85 3.159 -16.639 -9.772 1.00 0.00 H new ATOM 0 HA GLU A 85 0.340 -16.019 -9.122 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.506 -17.733 -7.339 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.642 -18.425 -8.943 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.022 -18.702 -8.722 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.069 -17.728 -7.267 1.00 0.00 H new ATOM 1259 N GLY A 86 0.981 -14.785 -7.018 1.00 0.00 N ATOM 1260 CA GLY A 86 1.404 -13.859 -5.984 1.00 0.00 C ATOM 1261 C GLY A 86 0.878 -14.237 -4.614 1.00 0.00 C ATOM 1262 O GLY A 86 0.036 -15.127 -4.490 1.00 0.00 O ATOM 0 H GLY A 86 -0.029 -14.877 -7.124 1.00 0.00 H new ATOM 0 HA2 GLY A 86 2.493 -13.825 -5.955 1.00 0.00 H new ATOM 0 HA3 GLY A 86 1.061 -12.856 -6.237 1.00 0.00 H new ATOM 1266 N SER A 87 1.375 -13.562 -3.583 1.00 0.00 N ATOM 1267 CA SER A 87 0.954 -13.837 -2.215 1.00 0.00 C ATOM 1268 C SER A 87 -0.470 -13.344 -1.976 1.00 0.00 C ATOM 1269 O SER A 87 -1.134 -12.865 -2.894 1.00 0.00 O ATOM 1270 CB SER A 87 1.909 -13.173 -1.221 1.00 0.00 C ATOM 1271 OG SER A 87 1.633 -11.789 -1.095 1.00 0.00 O ATOM 0 H SER A 87 2.070 -12.820 -3.669 1.00 0.00 H new ATOM 0 HA SER A 87 0.977 -14.916 -2.064 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.819 -13.655 -0.248 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.938 -13.313 -1.552 1.00 0.00 H new ATOM 0 HG SER A 87 2.143 -11.421 -0.343 1.00 0.00 H new ATOM 1277 N GLU A 88 -0.931 -13.465 -0.735 1.00 0.00 N ATOM 1278 CA GLU A 88 -2.276 -13.032 -0.375 1.00 0.00 C ATOM 1279 C GLU A 88 -2.346 -11.513 -0.257 1.00 0.00 C ATOM 1280 O GLU A 88 -1.324 -10.844 -0.106 1.00 0.00 O ATOM 1281 CB GLU A 88 -2.707 -13.677 0.945 1.00 0.00 C ATOM 1282 CG GLU A 88 -3.404 -15.016 0.769 1.00 0.00 C ATOM 1283 CD GLU A 88 -2.433 -16.180 0.746 1.00 0.00 C ATOM 1284 OE1 GLU A 88 -1.243 -15.955 0.441 1.00 0.00 O ATOM 1285 OE2 GLU A 88 -2.864 -17.317 1.033 1.00 0.00 O ATOM 0 H GLU A 88 -0.393 -13.859 0.037 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.956 -13.349 -1.166 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.829 -13.814 1.576 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.375 -12.996 1.472 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.118 -15.159 1.580 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.975 -15.005 -0.160 1.00 0.00 H new ATOM 1292 N ALA A 89 -3.559 -10.974 -0.329 1.00 0.00 N ATOM 1293 CA ALA A 89 -3.763 -9.535 -0.230 1.00 0.00 C ATOM 1294 C ALA A 89 -3.644 -9.062 1.215 1.00 0.00 C ATOM 1295 O ALA A 89 -4.349 -9.551 2.098 1.00 0.00 O ATOM 1296 CB ALA A 89 -5.120 -9.153 -0.802 1.00 0.00 C ATOM 0 H ALA A 89 -4.415 -11.513 -0.456 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.984 -9.042 -0.812 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.258 -8.075 -0.721 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.169 -9.448 -1.850 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.906 -9.663 -0.245 1.00 0.00 H new ATOM 1302 N ARG A 90 -2.748 -8.108 1.449 1.00 0.00 N ATOM 1303 CA ARG A 90 -2.536 -7.571 2.788 1.00 0.00 C ATOM 1304 C ARG A 90 -2.463 -6.047 2.757 1.00 0.00 C ATOM 1305 O ARG A 90 -1.424 -5.471 2.438 1.00 0.00 O ATOM 1306 CB ARG A 90 -1.252 -8.141 3.392 1.00 0.00 C ATOM 1307 CG ARG A 90 -1.326 -9.630 3.687 1.00 0.00 C ATOM 1308 CD ARG A 90 -2.038 -9.903 5.003 1.00 0.00 C ATOM 1309 NE ARG A 90 -2.639 -11.233 5.035 1.00 0.00 N ATOM 1310 CZ ARG A 90 -2.938 -11.877 6.158 1.00 0.00 C ATOM 1311 NH1 ARG A 90 -2.695 -11.315 7.334 1.00 0.00 N ATOM 1312 NH2 ARG A 90 -3.483 -13.086 6.106 1.00 0.00 N ATOM 0 H ARG A 90 -2.158 -7.691 0.729 1.00 0.00 H new ATOM 0 HA ARG A 90 -3.383 -7.865 3.408 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -0.425 -7.956 2.707 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.027 -7.607 4.315 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -1.850 -10.137 2.877 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -0.319 -10.045 3.724 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -1.329 -9.806 5.825 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -2.812 -9.152 5.159 1.00 0.00 H new ATOM 0 HE ARG A 90 -2.840 -11.693 4.147 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -2.277 -10.386 7.378 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -2.926 -11.812 8.194 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -3.673 -13.522 5.203 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.712 -13.580 6.969 1.00 0.00 H new ATOM 1326 N GLY A 91 -3.576 -5.399 3.090 1.00 0.00 N ATOM 1327 CA GLY A 91 -3.617 -3.949 3.093 1.00 0.00 C ATOM 1328 C GLY A 91 -3.608 -3.371 4.495 1.00 0.00 C ATOM 1329 O GLY A 91 -3.861 -4.083 5.467 1.00 0.00 O ATOM 0 H GLY A 91 -4.449 -5.853 3.358 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.761 -3.563 2.539 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.513 -3.613 2.571 1.00 0.00 H new ATOM 1333 N ILE A 92 -3.316 -2.080 4.599 1.00 0.00 N ATOM 1334 CA ILE A 92 -3.274 -1.408 5.892 1.00 0.00 C ATOM 1335 C ILE A 92 -4.129 -0.145 5.883 1.00 0.00 C ATOM 1336 O ILE A 92 -4.163 0.587 4.893 1.00 0.00 O ATOM 1337 CB ILE A 92 -1.833 -1.037 6.288 1.00 0.00 C ATOM 1338 CG1 ILE A 92 -1.832 -0.208 7.574 1.00 0.00 C ATOM 1339 CG2 ILE A 92 -1.153 -0.275 5.160 1.00 0.00 C ATOM 1340 CD1 ILE A 92 -0.454 -0.014 8.166 1.00 0.00 C ATOM 0 H ILE A 92 -3.105 -1.478 3.803 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.673 -2.109 6.625 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.274 -1.955 6.469 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.271 0.768 7.368 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.470 -0.695 8.311 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.135 -0.020 5.455 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.126 -0.897 4.265 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.710 0.638 4.951 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.529 0.582 9.075 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.020 -0.985 8.404 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.182 0.501 7.446 1.00 0.00 H new ATOM 1352 N ARG A 93 -4.816 0.106 6.992 1.00 0.00 N ATOM 1353 CA ARG A 93 -5.670 1.282 7.113 1.00 0.00 C ATOM 1354 C ARG A 93 -4.882 2.557 6.830 1.00 0.00 C ATOM 1355 O ARG A 93 -4.113 3.023 7.670 1.00 0.00 O ATOM 1356 CB ARG A 93 -6.286 1.350 8.511 1.00 0.00 C ATOM 1357 CG ARG A 93 -7.041 2.641 8.782 1.00 0.00 C ATOM 1358 CD ARG A 93 -8.501 2.528 8.374 1.00 0.00 C ATOM 1359 NE ARG A 93 -9.321 1.943 9.431 1.00 0.00 N ATOM 1360 CZ ARG A 93 -10.571 1.532 9.250 1.00 0.00 C ATOM 1361 NH1 ARG A 93 -11.142 1.641 8.058 1.00 0.00 N ATOM 1362 NH2 ARG A 93 -11.253 1.010 10.261 1.00 0.00 N ATOM 0 H ARG A 93 -4.798 -0.489 7.820 1.00 0.00 H new ATOM 0 HA ARG A 93 -6.468 1.198 6.376 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -6.965 0.508 8.641 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -5.495 1.239 9.253 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -6.976 2.886 9.842 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -6.572 3.460 8.236 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -8.885 3.517 8.123 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -8.580 1.918 7.474 1.00 0.00 H new ATOM 0 HE ARG A 93 -8.911 1.844 10.360 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -10.621 2.041 7.278 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -12.102 1.325 7.922 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -10.818 0.924 11.179 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -12.213 0.695 10.120 1.00 0.00 H new ATOM 1376 N ALA A 94 -5.078 3.116 5.640 1.00 0.00 N ATOM 1377 CA ALA A 94 -4.387 4.338 5.247 1.00 0.00 C ATOM 1378 C ALA A 94 -5.287 5.557 5.418 1.00 0.00 C ATOM 1379 O ALA A 94 -6.291 5.702 4.719 1.00 0.00 O ATOM 1380 CB ALA A 94 -3.907 4.233 3.807 1.00 0.00 C ATOM 0 H ALA A 94 -5.710 2.742 4.932 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.522 4.463 5.899 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -3.393 5.152 3.527 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.222 3.391 3.712 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -4.762 4.081 3.149 1.00 0.00 H new ATOM 1386 N ARG A 95 -4.923 6.430 6.352 1.00 0.00 N ATOM 1387 CA ARG A 95 -5.699 7.635 6.615 1.00 0.00 C ATOM 1388 C ARG A 95 -4.833 8.883 6.470 1.00 0.00 C ATOM 1389 O ARG A 95 -3.615 8.831 6.648 1.00 0.00 O ATOM 1390 CB ARG A 95 -6.303 7.581 8.020 1.00 0.00 C ATOM 1391 CG ARG A 95 -5.267 7.642 9.131 1.00 0.00 C ATOM 1392 CD ARG A 95 -4.791 6.253 9.525 1.00 0.00 C ATOM 1393 NE ARG A 95 -3.519 6.293 10.241 1.00 0.00 N ATOM 1394 CZ ARG A 95 -3.396 6.698 11.500 1.00 0.00 C ATOM 1395 NH1 ARG A 95 -4.464 7.095 12.179 1.00 0.00 N ATOM 1396 NH2 ARG A 95 -2.204 6.706 12.083 1.00 0.00 N ATOM 0 H ARG A 95 -4.095 6.325 6.939 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.504 7.686 5.882 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -7.000 8.411 8.139 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.880 6.662 8.123 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -4.416 8.240 8.804 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -5.693 8.142 10.001 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -5.545 5.776 10.151 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -4.684 5.639 8.631 1.00 0.00 H new ATOM 0 HE ARG A 95 -2.678 5.993 9.747 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -5.382 7.090 11.734 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -4.367 7.406 13.146 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -1.380 6.401 11.564 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -2.111 7.017 13.050 1.00 0.00 H new ATOM 1410 N THR A 96 -5.468 10.004 6.146 1.00 0.00 N ATOM 1411 CA THR A 96 -4.756 11.264 5.975 1.00 0.00 C ATOM 1412 C THR A 96 -5.506 12.414 6.639 1.00 0.00 C ATOM 1413 O THR A 96 -6.736 12.466 6.639 1.00 0.00 O ATOM 1414 CB THR A 96 -4.548 11.594 4.485 1.00 0.00 C ATOM 1415 OG1 THR A 96 -5.813 11.682 3.821 1.00 0.00 O ATOM 1416 CG2 THR A 96 -3.688 10.535 3.811 1.00 0.00 C ATOM 0 H THR A 96 -6.475 10.065 5.997 1.00 0.00 H new ATOM 0 HA THR A 96 -3.783 11.145 6.452 1.00 0.00 H new ATOM 0 HB THR A 96 -4.035 12.553 4.417 1.00 0.00 H new ATOM 0 HG1 THR A 96 -5.672 11.894 2.875 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.555 10.789 2.760 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.715 10.491 4.300 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.177 9.564 3.890 1.00 0.00 H new ATOM 1424 N PRO A 97 -4.750 13.359 7.217 1.00 0.00 N ATOM 1425 CA PRO A 97 -5.323 14.526 7.894 1.00 0.00 C ATOM 1426 C PRO A 97 -5.969 15.503 6.917 1.00 0.00 C ATOM 1427 O PRO A 97 -6.051 15.236 5.718 1.00 0.00 O ATOM 1428 CB PRO A 97 -4.112 15.172 8.573 1.00 0.00 C ATOM 1429 CG PRO A 97 -2.944 14.738 7.756 1.00 0.00 C ATOM 1430 CD PRO A 97 -3.278 13.361 7.255 1.00 0.00 C ATOM 0 HA PRO A 97 -6.118 14.247 8.585 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -4.201 16.258 8.591 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -4.016 14.843 9.608 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -2.772 15.424 6.927 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -2.033 14.725 8.354 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -2.850 13.177 6.269 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -2.892 12.587 7.919 1.00 0.00 H new ATOM 1438 N THR A 98 -6.428 16.637 7.438 1.00 0.00 N ATOM 1439 CA THR A 98 -7.068 17.653 6.612 1.00 0.00 C ATOM 1440 C THR A 98 -6.356 18.995 6.742 1.00 0.00 C ATOM 1441 O THR A 98 -6.465 19.671 7.765 1.00 0.00 O ATOM 1442 CB THR A 98 -8.550 17.833 6.991 1.00 0.00 C ATOM 1443 OG1 THR A 98 -8.661 18.236 8.361 1.00 0.00 O ATOM 1444 CG2 THR A 98 -9.325 16.542 6.773 1.00 0.00 C ATOM 0 H THR A 98 -6.368 16.875 8.428 1.00 0.00 H new ATOM 0 HA THR A 98 -7.004 17.308 5.580 1.00 0.00 H new ATOM 0 HB THR A 98 -8.974 18.606 6.350 1.00 0.00 H new ATOM 0 HG1 THR A 98 -7.925 18.844 8.584 1.00 0.00 H new ATOM 0 HG21 THR A 98 -10.369 16.694 7.047 1.00 0.00 H new ATOM 0 HG22 THR A 98 -9.264 16.254 5.724 1.00 0.00 H new ATOM 0 HG23 THR A 98 -8.898 15.753 7.392 1.00 0.00 H new ATOM 1452 N SER A 99 -5.627 19.376 5.697 1.00 0.00 N ATOM 1453 CA SER A 99 -4.895 20.637 5.696 1.00 0.00 C ATOM 1454 C SER A 99 -5.849 21.820 5.824 1.00 0.00 C ATOM 1455 O SER A 99 -5.676 22.681 6.685 1.00 0.00 O ATOM 1456 CB SER A 99 -4.069 20.769 4.415 1.00 0.00 C ATOM 1457 OG SER A 99 -3.543 22.078 4.280 1.00 0.00 O ATOM 0 H SER A 99 -5.528 18.830 4.841 1.00 0.00 H new ATOM 0 HA SER A 99 -4.224 20.640 6.555 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.254 20.046 4.428 1.00 0.00 H new ATOM 0 HB3 SER A 99 -4.691 20.533 3.552 1.00 0.00 H new ATOM 0 HG SER A 99 -3.018 22.136 3.455 1.00 0.00 H new ATOM 1463 N GLY A 100 -6.858 21.855 4.958 1.00 0.00 N ATOM 1464 CA GLY A 100 -7.826 22.936 4.990 1.00 0.00 C ATOM 1465 C GLY A 100 -8.568 23.011 6.310 1.00 0.00 C ATOM 1466 O GLY A 100 -8.762 22.007 6.996 1.00 0.00 O ATOM 0 H GLY A 100 -7.022 21.154 4.235 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -7.316 23.882 4.809 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -8.543 22.801 4.181 1.00 0.00 H new ATOM 1470 N PRO A 101 -8.995 24.226 6.685 1.00 0.00 N ATOM 1471 CA PRO A 101 -9.725 24.458 7.934 1.00 0.00 C ATOM 1472 C PRO A 101 -11.130 23.865 7.904 1.00 0.00 C ATOM 1473 O PRO A 101 -11.941 24.211 7.044 1.00 0.00 O ATOM 1474 CB PRO A 101 -9.791 25.984 8.029 1.00 0.00 C ATOM 1475 CG PRO A 101 -9.687 26.456 6.620 1.00 0.00 C ATOM 1476 CD PRO A 101 -8.799 25.467 5.916 1.00 0.00 C ATOM 0 HA PRO A 101 -9.235 23.985 8.785 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -10.723 26.312 8.489 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -8.979 26.378 8.640 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -10.670 26.502 6.150 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -9.265 27.460 6.575 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.085 25.342 4.872 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -7.757 25.785 5.925 1.00 0.00 H new ATOM 1484 N SER A 102 -11.411 22.972 8.847 1.00 0.00 N ATOM 1485 CA SER A 102 -12.718 22.329 8.925 1.00 0.00 C ATOM 1486 C SER A 102 -12.988 21.818 10.337 1.00 0.00 C ATOM 1487 O SER A 102 -12.070 21.403 11.045 1.00 0.00 O ATOM 1488 CB SER A 102 -12.801 21.172 7.927 1.00 0.00 C ATOM 1489 OG SER A 102 -12.109 20.033 8.408 1.00 0.00 O ATOM 0 H SER A 102 -10.752 22.677 9.567 1.00 0.00 H new ATOM 0 HA SER A 102 -13.476 23.071 8.674 1.00 0.00 H new ATOM 0 HB2 SER A 102 -13.845 20.918 7.747 1.00 0.00 H new ATOM 0 HB3 SER A 102 -12.378 21.481 6.971 1.00 0.00 H new ATOM 0 HG SER A 102 -12.178 19.307 7.753 1.00 0.00 H new ATOM 1495 N SER A 103 -14.254 21.852 10.740 1.00 0.00 N ATOM 1496 CA SER A 103 -14.646 21.396 12.068 1.00 0.00 C ATOM 1497 C SER A 103 -15.841 20.451 11.988 1.00 0.00 C ATOM 1498 O SER A 103 -16.581 20.450 11.005 1.00 0.00 O ATOM 1499 CB SER A 103 -14.986 22.591 12.961 1.00 0.00 C ATOM 1500 OG SER A 103 -15.977 23.409 12.363 1.00 0.00 O ATOM 0 H SER A 103 -15.026 22.191 10.166 1.00 0.00 H new ATOM 0 HA SER A 103 -13.805 20.855 12.501 1.00 0.00 H new ATOM 0 HB2 SER A 103 -15.339 22.236 13.930 1.00 0.00 H new ATOM 0 HB3 SER A 103 -14.087 23.179 13.145 1.00 0.00 H new ATOM 0 HG SER A 103 -16.178 24.165 12.954 1.00 0.00 H new ATOM 1506 N GLY A 104 -16.023 19.646 13.031 1.00 0.00 N ATOM 1507 CA GLY A 104 -17.129 18.707 13.059 1.00 0.00 C ATOM 1508 C GLY A 104 -17.081 17.791 14.266 1.00 0.00 C ATOM 1509 O GLY A 104 -18.046 17.701 15.024 1.00 0.00 O ATOM 0 H GLY A 104 -15.424 19.628 13.857 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -18.069 19.258 13.062 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -17.115 18.106 12.150 1.00 0.00 H new TER 1513 GLY A 104