USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 427 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 15 CYS SG : rot -129:sc= -1.9 USER MOD Set 1.2: A 18 HIS : no HE2:sc= -4.87! C(o=-13!,f=-18!) USER MOD Set 1.3: A 34 CYS SG : rot 158:sc= -1.5 USER MOD Set 1.4: A 37 CYS SG : rot -34:sc= -4.9! USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.532 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 55:sc= -0.3! USER MOD Single : A 17 ASN : amide:sc= -0.27 K(o=-0.27,f=-2.4!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc=-0.00349 USER MOD Single : A 57 ASN : amide:sc= -0.379 X(o=-0.38,f=-0.82) USER MOD Single : A 59 LYS NZ :NH3+ -119:sc= 1.1 (180deg=-0.273) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -35.570 1.445 4.594 1.00 0.00 N ATOM 2 CA ALA A 2 -34.217 2.057 4.621 1.00 0.00 C ATOM 3 C ALA A 2 -33.287 1.376 3.623 1.00 0.00 C ATOM 4 O ALA A 2 -33.246 0.149 3.535 1.00 0.00 O ATOM 5 CB ALA A 2 -33.631 1.981 6.024 1.00 0.00 C ATOM 0 HA ALA A 2 -34.314 3.104 4.334 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -32.639 2.433 6.029 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -34.278 2.517 6.718 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -33.556 0.938 6.331 1.00 0.00 H new ATOM 10 N SER A 3 -32.542 2.180 2.873 1.00 0.00 N ATOM 11 CA SER A 3 -31.613 1.655 1.878 1.00 0.00 C ATOM 12 C SER A 3 -30.170 1.796 2.353 1.00 0.00 C ATOM 13 O SER A 3 -29.706 2.902 2.637 1.00 0.00 O ATOM 14 CB SER A 3 -31.796 2.378 0.544 1.00 0.00 C ATOM 15 OG SER A 3 -33.088 2.956 0.450 1.00 0.00 O ATOM 0 H SER A 3 -32.563 3.198 2.935 1.00 0.00 H new ATOM 0 HA SER A 3 -31.830 0.596 1.740 1.00 0.00 H new ATOM 0 HB2 SER A 3 -31.038 3.155 0.441 1.00 0.00 H new ATOM 0 HB3 SER A 3 -31.647 1.676 -0.277 1.00 0.00 H new ATOM 0 HG SER A 3 -33.180 3.414 -0.412 1.00 0.00 H new ATOM 21 N THR A 4 -29.466 0.673 2.436 1.00 0.00 N ATOM 22 CA THR A 4 -28.077 0.672 2.876 1.00 0.00 C ATOM 23 C THR A 4 -27.345 -0.563 2.360 1.00 0.00 C ATOM 24 O THR A 4 -27.041 -1.483 3.122 1.00 0.00 O ATOM 25 CB THR A 4 -28.001 0.725 4.403 1.00 0.00 C ATOM 26 OG1 THR A 4 -29.157 1.346 4.940 1.00 0.00 O ATOM 27 CG2 THR A 4 -26.795 1.479 4.917 1.00 0.00 C ATOM 0 H THR A 4 -29.835 -0.249 2.204 1.00 0.00 H new ATOM 0 HA THR A 4 -27.592 1.558 2.466 1.00 0.00 H new ATOM 0 HB THR A 4 -27.923 -0.313 4.725 1.00 0.00 H new ATOM 0 HG1 THR A 4 -29.091 1.370 5.918 1.00 0.00 H new ATOM 0 HG21 THR A 4 -26.803 1.478 6.007 1.00 0.00 H new ATOM 0 HG22 THR A 4 -25.885 0.997 4.560 1.00 0.00 H new ATOM 0 HG23 THR A 4 -26.827 2.507 4.555 1.00 0.00 H new ATOM 35 N SER A 5 -27.064 -0.580 1.061 1.00 0.00 N ATOM 36 CA SER A 5 -26.368 -1.702 0.443 1.00 0.00 C ATOM 37 C SER A 5 -26.103 -1.429 -1.035 1.00 0.00 C ATOM 38 O SER A 5 -27.017 -1.476 -1.858 1.00 0.00 O ATOM 39 CB SER A 5 -27.187 -2.985 0.597 1.00 0.00 C ATOM 40 OG SER A 5 -26.463 -4.112 0.135 1.00 0.00 O ATOM 0 H SER A 5 -27.308 0.171 0.416 1.00 0.00 H new ATOM 0 HA SER A 5 -25.411 -1.827 0.949 1.00 0.00 H new ATOM 0 HB2 SER A 5 -27.455 -3.125 1.644 1.00 0.00 H new ATOM 0 HB3 SER A 5 -28.119 -2.894 0.039 1.00 0.00 H new ATOM 0 HG SER A 5 -27.008 -4.919 0.246 1.00 0.00 H new ATOM 46 N ARG A 6 -24.847 -1.143 -1.362 1.00 0.00 N ATOM 47 CA ARG A 6 -24.464 -0.862 -2.740 1.00 0.00 C ATOM 48 C ARG A 6 -23.917 -2.113 -3.420 1.00 0.00 C ATOM 49 O ARG A 6 -24.121 -2.321 -4.617 1.00 0.00 O ATOM 50 CB ARG A 6 -23.418 0.255 -2.783 1.00 0.00 C ATOM 51 CG ARG A 6 -24.002 1.623 -3.100 1.00 0.00 C ATOM 52 CD ARG A 6 -24.290 1.774 -4.584 1.00 0.00 C ATOM 53 NE ARG A 6 -25.688 1.489 -4.903 1.00 0.00 N ATOM 54 CZ ARG A 6 -26.683 2.352 -4.709 1.00 0.00 C ATOM 55 NH1 ARG A 6 -26.439 3.552 -4.199 1.00 0.00 N ATOM 56 NH2 ARG A 6 -27.924 2.013 -5.026 1.00 0.00 N ATOM 0 H ARG A 6 -24.079 -1.100 -0.693 1.00 0.00 H new ATOM 0 HA ARG A 6 -25.354 -0.538 -3.279 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -22.908 0.301 -1.821 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -22.665 0.008 -3.532 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -24.922 1.768 -2.533 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -23.306 2.400 -2.782 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -24.046 2.789 -4.899 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -23.645 1.101 -5.149 1.00 0.00 H new ATOM 0 HE ARG A 6 -25.914 0.576 -5.297 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -25.485 3.817 -3.953 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -27.205 4.209 -4.052 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -28.117 1.091 -5.418 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -28.687 2.674 -4.878 1.00 0.00 H new ATOM 70 N LEU A 7 -23.220 -2.944 -2.651 1.00 0.00 N ATOM 71 CA LEU A 7 -22.644 -4.173 -3.183 1.00 0.00 C ATOM 72 C LEU A 7 -21.669 -3.866 -4.317 1.00 0.00 C ATOM 73 O LEU A 7 -21.938 -4.164 -5.481 1.00 0.00 O ATOM 74 CB LEU A 7 -23.752 -5.106 -3.680 1.00 0.00 C ATOM 75 CG LEU A 7 -23.478 -6.598 -3.490 1.00 0.00 C ATOM 76 CD1 LEU A 7 -22.147 -6.981 -4.117 1.00 0.00 C ATOM 77 CD2 LEU A 7 -23.497 -6.958 -2.011 1.00 0.00 C ATOM 0 H LEU A 7 -23.041 -2.788 -1.659 1.00 0.00 H new ATOM 0 HA LEU A 7 -22.096 -4.669 -2.382 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -24.677 -4.854 -3.162 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -23.918 -4.915 -4.740 1.00 0.00 H new ATOM 0 HG LEU A 7 -24.266 -7.160 -3.991 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -21.969 -8.047 -3.972 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -22.170 -6.759 -5.184 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -21.346 -6.412 -3.646 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -23.300 -8.024 -1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -22.730 -6.387 -1.488 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -24.475 -6.721 -1.591 1.00 0.00 H new ATOM 89 N ASP A 8 -20.539 -3.264 -3.968 1.00 0.00 N ATOM 90 CA ASP A 8 -19.524 -2.910 -4.954 1.00 0.00 C ATOM 91 C ASP A 8 -18.225 -2.484 -4.264 1.00 0.00 C ATOM 92 O ASP A 8 -17.915 -2.960 -3.171 1.00 0.00 O ATOM 93 CB ASP A 8 -20.054 -1.793 -5.864 1.00 0.00 C ATOM 94 CG ASP A 8 -20.175 -0.463 -5.145 1.00 0.00 C ATOM 95 OD1 ASP A 8 -20.192 -0.462 -3.896 1.00 0.00 O ATOM 96 OD2 ASP A 8 -20.253 0.578 -5.831 1.00 0.00 O ATOM 0 H ASP A 8 -20.302 -3.010 -3.009 1.00 0.00 H new ATOM 0 HA ASP A 8 -19.303 -3.785 -5.566 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -19.388 -1.680 -6.720 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -21.030 -2.080 -6.255 1.00 0.00 H new ATOM 101 N ALA A 9 -17.465 -1.591 -4.903 1.00 0.00 N ATOM 102 CA ALA A 9 -16.202 -1.111 -4.345 1.00 0.00 C ATOM 103 C ALA A 9 -15.096 -2.145 -4.521 1.00 0.00 C ATOM 104 O ALA A 9 -15.364 -3.328 -4.728 1.00 0.00 O ATOM 105 CB ALA A 9 -16.364 -0.749 -2.874 1.00 0.00 C ATOM 0 H ALA A 9 -17.704 -1.186 -5.808 1.00 0.00 H new ATOM 0 HA ALA A 9 -15.916 -0.213 -4.892 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -15.412 -0.394 -2.480 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -17.114 0.036 -2.773 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -16.683 -1.629 -2.316 1.00 0.00 H new ATOM 111 N LEU A 10 -13.851 -1.686 -4.440 1.00 0.00 N ATOM 112 CA LEU A 10 -12.699 -2.568 -4.592 1.00 0.00 C ATOM 113 C LEU A 10 -11.574 -2.161 -3.642 1.00 0.00 C ATOM 114 O LEU A 10 -10.452 -1.894 -4.072 1.00 0.00 O ATOM 115 CB LEU A 10 -12.197 -2.548 -6.040 1.00 0.00 C ATOM 116 CG LEU A 10 -12.425 -1.232 -6.790 1.00 0.00 C ATOM 117 CD1 LEU A 10 -11.286 -0.965 -7.760 1.00 0.00 C ATOM 118 CD2 LEU A 10 -13.758 -1.264 -7.524 1.00 0.00 C ATOM 0 H LEU A 10 -13.614 -0.709 -4.270 1.00 0.00 H new ATOM 0 HA LEU A 10 -13.013 -3.581 -4.341 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -11.129 -2.768 -6.041 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -12.688 -3.351 -6.589 1.00 0.00 H new ATOM 0 HG LEU A 10 -12.451 -0.420 -6.063 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -11.466 -0.026 -8.283 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -10.347 -0.900 -7.210 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -11.226 -1.778 -8.484 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -13.905 -0.322 -8.052 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -13.759 -2.085 -8.240 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -14.565 -1.408 -6.806 1.00 0.00 H new ATOM 130 N PRO A 11 -11.861 -2.109 -2.330 1.00 0.00 N ATOM 131 CA PRO A 11 -10.869 -1.733 -1.318 1.00 0.00 C ATOM 132 C PRO A 11 -9.659 -2.661 -1.320 1.00 0.00 C ATOM 133 O PRO A 11 -8.562 -2.266 -1.713 1.00 0.00 O ATOM 134 CB PRO A 11 -11.632 -1.845 0.010 1.00 0.00 C ATOM 135 CG PRO A 11 -12.834 -2.675 -0.294 1.00 0.00 C ATOM 136 CD PRO A 11 -13.171 -2.411 -1.732 1.00 0.00 C ATOM 0 HA PRO A 11 -10.466 -0.737 -1.502 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.016 -2.312 0.779 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.918 -0.862 0.384 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -12.628 -3.733 -0.130 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -13.667 -2.408 0.357 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.639 -3.276 -2.202 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.864 -1.577 -1.837 1.00 0.00 H new ATOM 144 N ARG A 12 -9.866 -3.899 -0.879 1.00 0.00 N ATOM 145 CA ARG A 12 -8.789 -4.882 -0.831 1.00 0.00 C ATOM 146 C ARG A 12 -8.861 -5.827 -2.026 1.00 0.00 C ATOM 147 O ARG A 12 -9.754 -6.670 -2.110 1.00 0.00 O ATOM 148 CB ARG A 12 -8.859 -5.685 0.471 1.00 0.00 C ATOM 149 CG ARG A 12 -8.987 -4.820 1.715 1.00 0.00 C ATOM 150 CD ARG A 12 -8.886 -5.650 2.984 1.00 0.00 C ATOM 151 NE ARG A 12 -9.714 -6.852 2.919 1.00 0.00 N ATOM 152 CZ ARG A 12 -11.031 -6.857 3.114 1.00 0.00 C ATOM 153 NH1 ARG A 12 -11.672 -5.727 3.387 1.00 0.00 N ATOM 154 NH2 ARG A 12 -11.707 -7.994 3.035 1.00 0.00 N ATOM 0 H ARG A 12 -10.768 -4.244 -0.551 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.841 -4.346 -0.870 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.709 -6.365 0.423 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.963 -6.300 0.557 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -8.205 -4.060 1.713 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.942 -4.295 1.698 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.847 -5.934 3.150 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -9.191 -5.045 3.838 1.00 0.00 H new ATOM 0 HE ARG A 12 -9.256 -7.740 2.712 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -11.155 -4.850 3.448 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -12.681 -5.736 3.536 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -11.218 -8.864 2.825 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -12.716 -7.999 3.184 1.00 0.00 H new ATOM 168 N VAL A 13 -7.914 -5.684 -2.946 1.00 0.00 N ATOM 169 CA VAL A 13 -7.869 -6.526 -4.135 1.00 0.00 C ATOM 170 C VAL A 13 -7.586 -7.978 -3.762 1.00 0.00 C ATOM 171 O VAL A 13 -8.055 -8.904 -4.424 1.00 0.00 O ATOM 172 CB VAL A 13 -6.792 -6.039 -5.127 1.00 0.00 C ATOM 173 CG1 VAL A 13 -5.410 -6.104 -4.496 1.00 0.00 C ATOM 174 CG2 VAL A 13 -6.839 -6.854 -6.413 1.00 0.00 C ATOM 0 H VAL A 13 -7.166 -4.992 -2.891 1.00 0.00 H new ATOM 0 HA VAL A 13 -8.846 -6.459 -4.613 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.002 -4.999 -5.376 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.666 -5.756 -5.213 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.384 -5.470 -3.610 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.187 -7.133 -4.212 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.072 -6.495 -7.099 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.659 -7.905 -6.185 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.820 -6.746 -6.876 1.00 0.00 H new ATOM 184 N THR A 14 -6.812 -8.168 -2.697 1.00 0.00 N ATOM 185 CA THR A 14 -6.456 -9.505 -2.232 1.00 0.00 C ATOM 186 C THR A 14 -5.834 -10.324 -3.359 1.00 0.00 C ATOM 187 O THR A 14 -5.594 -9.811 -4.450 1.00 0.00 O ATOM 188 CB THR A 14 -7.684 -10.231 -1.669 1.00 0.00 C ATOM 189 OG1 THR A 14 -8.881 -9.685 -2.191 1.00 0.00 O ATOM 190 CG2 THR A 14 -7.771 -10.170 -0.160 1.00 0.00 C ATOM 0 H THR A 14 -6.418 -7.411 -2.139 1.00 0.00 H new ATOM 0 HA THR A 14 -5.720 -9.396 -1.435 1.00 0.00 H new ATOM 0 HB THR A 14 -7.565 -11.271 -1.972 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.845 -9.695 -3.170 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.661 -10.702 0.175 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.886 -10.634 0.275 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.828 -9.129 0.159 1.00 0.00 H new ATOM 198 N CYS A 15 -5.575 -11.596 -3.086 1.00 0.00 N ATOM 199 CA CYS A 15 -4.978 -12.482 -4.076 1.00 0.00 C ATOM 200 C CYS A 15 -6.049 -13.144 -4.940 1.00 0.00 C ATOM 201 O CYS A 15 -7.058 -13.629 -4.424 1.00 0.00 O ATOM 202 CB CYS A 15 -4.148 -13.560 -3.383 1.00 0.00 C ATOM 203 SG CYS A 15 -2.992 -14.426 -4.469 1.00 0.00 S ATOM 0 H CYS A 15 -5.769 -12.037 -2.187 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.335 -11.880 -4.719 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.588 -13.102 -2.568 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.823 -14.289 -2.936 1.00 0.00 H new ATOM 0 HG CYS A 15 -3.148 -15.709 -4.333 1.00 0.00 H new ATOM 209 N PRO A 16 -5.844 -13.186 -6.268 1.00 0.00 N ATOM 210 CA PRO A 16 -6.799 -13.806 -7.187 1.00 0.00 C ATOM 211 C PRO A 16 -6.845 -15.322 -7.021 1.00 0.00 C ATOM 212 O PRO A 16 -7.802 -15.974 -7.440 1.00 0.00 O ATOM 213 CB PRO A 16 -6.259 -13.435 -8.570 1.00 0.00 C ATOM 214 CG PRO A 16 -4.801 -13.228 -8.357 1.00 0.00 C ATOM 215 CD PRO A 16 -4.668 -12.644 -6.978 1.00 0.00 C ATOM 0 HA PRO A 16 -7.819 -13.464 -7.013 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.446 -14.227 -9.295 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.736 -12.533 -8.954 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.257 -14.169 -8.438 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.388 -12.555 -9.108 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.735 -12.945 -6.501 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.677 -11.554 -6.999 1.00 0.00 H new ATOM 223 N ASN A 17 -5.801 -15.880 -6.407 1.00 0.00 N ATOM 224 CA ASN A 17 -5.719 -17.319 -6.185 1.00 0.00 C ATOM 225 C ASN A 17 -5.725 -17.651 -4.693 1.00 0.00 C ATOM 226 O ASN A 17 -5.845 -18.815 -4.311 1.00 0.00 O ATOM 227 CB ASN A 17 -4.453 -17.883 -6.835 1.00 0.00 C ATOM 228 CG ASN A 17 -4.753 -18.666 -8.099 1.00 0.00 C ATOM 229 OD1 ASN A 17 -5.881 -18.663 -8.592 1.00 0.00 O ATOM 230 ND2 ASN A 17 -3.742 -19.346 -8.628 1.00 0.00 N ATOM 0 H ASN A 17 -5.001 -15.354 -6.055 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.596 -17.778 -6.642 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.773 -17.064 -7.071 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -3.939 -18.529 -6.123 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.884 -19.894 -9.476 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -2.823 -19.320 -8.186 1.00 0.00 H new ATOM 237 N HIS A 18 -5.605 -16.628 -3.852 1.00 0.00 N ATOM 238 CA HIS A 18 -5.607 -16.831 -2.409 1.00 0.00 C ATOM 239 C HIS A 18 -6.577 -15.873 -1.722 1.00 0.00 C ATOM 240 O HIS A 18 -6.190 -14.783 -1.301 1.00 0.00 O ATOM 241 CB HIS A 18 -4.211 -16.630 -1.825 1.00 0.00 C ATOM 242 CG HIS A 18 -3.202 -17.660 -2.230 1.00 0.00 C ATOM 243 ND1 HIS A 18 -1.986 -17.329 -2.784 1.00 0.00 N ATOM 244 CD2 HIS A 18 -3.203 -19.008 -2.106 1.00 0.00 C ATOM 245 CE1 HIS A 18 -1.275 -18.423 -2.976 1.00 0.00 C ATOM 246 NE2 HIS A 18 -1.991 -19.458 -2.576 1.00 0.00 N ATOM 0 H HIS A 18 -5.506 -15.656 -4.144 1.00 0.00 H new ATOM 0 HA HIS A 18 -5.927 -17.857 -2.229 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -3.846 -15.648 -2.125 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -4.286 -16.624 -0.738 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -1.682 -16.382 -3.011 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.004 -19.616 -1.712 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -0.278 -18.465 -3.389 1.00 0.00 H new ATOM 255 N PRO A 19 -7.853 -16.268 -1.592 1.00 0.00 N ATOM 256 CA PRO A 19 -8.871 -15.437 -0.942 1.00 0.00 C ATOM 257 C PRO A 19 -8.530 -15.149 0.517 1.00 0.00 C ATOM 258 O PRO A 19 -8.848 -14.080 1.040 1.00 0.00 O ATOM 259 CB PRO A 19 -10.149 -16.278 -1.041 1.00 0.00 C ATOM 260 CG PRO A 19 -9.682 -17.673 -1.284 1.00 0.00 C ATOM 261 CD PRO A 19 -8.402 -17.553 -2.056 1.00 0.00 C ATOM 0 HA PRO A 19 -8.960 -14.459 -1.415 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -10.735 -16.213 -0.124 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.788 -15.930 -1.853 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.522 -18.200 -0.343 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.424 -18.241 -1.845 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.725 -18.381 -1.845 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.578 -17.551 -3.132 1.00 0.00 H new ATOM 269 N ASP A 20 -7.884 -16.111 1.170 1.00 0.00 N ATOM 270 CA ASP A 20 -7.504 -15.965 2.572 1.00 0.00 C ATOM 271 C ASP A 20 -6.161 -15.249 2.717 1.00 0.00 C ATOM 272 O ASP A 20 -5.876 -14.656 3.758 1.00 0.00 O ATOM 273 CB ASP A 20 -7.442 -17.335 3.248 1.00 0.00 C ATOM 274 CG ASP A 20 -8.815 -17.857 3.622 1.00 0.00 C ATOM 275 OD1 ASP A 20 -9.779 -17.574 2.880 1.00 0.00 O ATOM 276 OD2 ASP A 20 -8.927 -18.547 4.657 1.00 0.00 O ATOM 0 H ASP A 20 -7.613 -17.000 0.751 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.264 -15.356 3.061 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.956 -18.045 2.579 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.825 -17.267 4.144 1.00 0.00 H new ATOM 281 N ALA A 21 -5.340 -15.305 1.671 1.00 0.00 N ATOM 282 CA ALA A 21 -4.032 -14.658 1.690 1.00 0.00 C ATOM 283 C ALA A 21 -4.155 -13.181 1.315 1.00 0.00 C ATOM 284 O ALA A 21 -3.973 -12.797 0.158 1.00 0.00 O ATOM 285 CB ALA A 21 -3.083 -15.384 0.759 1.00 0.00 C ATOM 0 H ALA A 21 -5.558 -15.791 0.801 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.627 -14.708 2.701 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.109 -14.895 0.779 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.976 -16.419 1.083 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.480 -15.361 -0.256 1.00 0.00 H new ATOM 291 N ILE A 22 -4.510 -12.387 2.311 1.00 0.00 N ATOM 292 CA ILE A 22 -4.721 -10.956 2.130 1.00 0.00 C ATOM 293 C ILE A 22 -3.432 -10.178 1.850 1.00 0.00 C ATOM 294 O ILE A 22 -2.922 -9.480 2.727 1.00 0.00 O ATOM 295 CB ILE A 22 -5.424 -10.331 3.349 1.00 0.00 C ATOM 296 CG1 ILE A 22 -6.631 -11.176 3.770 1.00 0.00 C ATOM 297 CG2 ILE A 22 -5.855 -8.915 3.022 1.00 0.00 C ATOM 298 CD1 ILE A 22 -6.779 -11.310 5.270 1.00 0.00 C ATOM 0 H ILE A 22 -4.660 -12.712 3.266 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.358 -10.875 1.249 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.723 -10.305 4.183 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.538 -10.729 3.362 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.540 -12.170 3.331 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.352 -8.477 3.888 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.980 -8.318 2.766 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.544 -8.930 2.177 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.653 -11.920 5.496 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.889 -11.784 5.683 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.902 -10.322 5.713 1.00 0.00 H new ATOM 310 N LEU A 23 -2.929 -10.300 0.610 1.00 0.00 N ATOM 311 CA LEU A 23 -1.706 -9.598 0.178 1.00 0.00 C ATOM 312 C LEU A 23 -1.400 -8.433 1.110 1.00 0.00 C ATOM 313 O LEU A 23 -2.125 -7.445 1.149 1.00 0.00 O ATOM 314 CB LEU A 23 -1.858 -9.072 -1.255 1.00 0.00 C ATOM 315 CG LEU A 23 -1.351 -9.999 -2.358 1.00 0.00 C ATOM 316 CD1 LEU A 23 -2.483 -10.881 -2.863 1.00 0.00 C ATOM 317 CD2 LEU A 23 -0.742 -9.189 -3.496 1.00 0.00 C ATOM 0 H LEU A 23 -3.352 -10.880 -0.114 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.883 -10.312 0.211 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.913 -8.865 -1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.329 -8.122 -1.332 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.572 -10.642 -1.948 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.110 -11.538 -3.649 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.870 -11.483 -2.041 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.282 -10.255 -3.262 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.386 -9.865 -4.273 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.497 -8.522 -3.913 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.093 -8.600 -3.117 1.00 0.00 H new ATOM 329 N VAL A 24 -0.349 -8.570 1.887 1.00 0.00 N ATOM 330 CA VAL A 24 0.012 -7.540 2.843 1.00 0.00 C ATOM 331 C VAL A 24 0.715 -6.367 2.177 1.00 0.00 C ATOM 332 O VAL A 24 1.180 -6.463 1.045 1.00 0.00 O ATOM 333 CB VAL A 24 0.869 -8.131 3.969 1.00 0.00 C ATOM 334 CG1 VAL A 24 0.907 -7.197 5.169 1.00 0.00 C ATOM 335 CG2 VAL A 24 0.314 -9.496 4.350 1.00 0.00 C ATOM 0 H VAL A 24 0.271 -9.380 1.878 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.910 -7.153 3.276 1.00 0.00 H new ATOM 0 HB VAL A 24 1.895 -8.248 3.621 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.521 -7.638 5.954 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.333 -6.239 4.871 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.105 -7.044 5.543 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.918 -9.924 5.150 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.716 -9.388 4.690 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.342 -10.155 3.482 1.00 0.00 H new ATOM 345 N GLU A 25 0.761 -5.254 2.895 1.00 0.00 N ATOM 346 CA GLU A 25 1.364 -4.043 2.402 1.00 0.00 C ATOM 347 C GLU A 25 2.860 -4.090 2.582 1.00 0.00 C ATOM 348 O GLU A 25 3.366 -4.461 3.640 1.00 0.00 O ATOM 349 CB GLU A 25 0.780 -2.823 3.116 1.00 0.00 C ATOM 350 CG GLU A 25 -0.547 -2.361 2.536 1.00 0.00 C ATOM 351 CD GLU A 25 -0.709 -0.854 2.578 1.00 0.00 C ATOM 352 OE1 GLU A 25 -0.072 -0.166 1.752 1.00 0.00 O ATOM 353 OE2 GLU A 25 -1.474 -0.363 3.433 1.00 0.00 O ATOM 0 H GLU A 25 0.378 -5.174 3.837 1.00 0.00 H new ATOM 0 HA GLU A 25 1.144 -3.958 1.338 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.644 -3.060 4.171 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.496 -2.003 3.063 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.627 -2.703 1.504 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.363 -2.826 3.090 1.00 0.00 H new ATOM 360 N ASP A 26 3.547 -3.701 1.534 1.00 0.00 N ATOM 361 CA ASP A 26 4.990 -3.665 1.503 1.00 0.00 C ATOM 362 C ASP A 26 5.648 -4.890 2.136 1.00 0.00 C ATOM 363 O ASP A 26 5.553 -5.121 3.341 1.00 0.00 O ATOM 364 CB ASP A 26 5.511 -2.384 2.153 1.00 0.00 C ATOM 365 CG ASP A 26 4.780 -1.149 1.661 1.00 0.00 C ATOM 366 OD1 ASP A 26 3.567 -1.030 1.931 1.00 0.00 O ATOM 367 OD2 ASP A 26 5.422 -0.301 1.007 1.00 0.00 O ATOM 0 H ASP A 26 3.111 -3.395 0.664 1.00 0.00 H new ATOM 0 HA ASP A 26 5.269 -3.679 0.449 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.404 -2.459 3.235 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.576 -2.280 1.944 1.00 0.00 H new ATOM 372 N TYR A 27 6.342 -5.658 1.300 1.00 0.00 N ATOM 373 CA TYR A 27 7.044 -6.852 1.747 1.00 0.00 C ATOM 374 C TYR A 27 7.908 -7.401 0.618 1.00 0.00 C ATOM 375 O TYR A 27 7.437 -7.582 -0.505 1.00 0.00 O ATOM 376 CB TYR A 27 6.057 -7.917 2.219 1.00 0.00 C ATOM 377 CG TYR A 27 6.436 -8.549 3.539 1.00 0.00 C ATOM 378 CD1 TYR A 27 6.614 -7.770 4.677 1.00 0.00 C ATOM 379 CD2 TYR A 27 6.617 -9.921 3.650 1.00 0.00 C ATOM 380 CE1 TYR A 27 6.963 -8.341 5.886 1.00 0.00 C ATOM 381 CE2 TYR A 27 6.965 -10.501 4.856 1.00 0.00 C ATOM 382 CZ TYR A 27 7.137 -9.707 5.970 1.00 0.00 C ATOM 383 OH TYR A 27 7.485 -10.280 7.172 1.00 0.00 O ATOM 0 H TYR A 27 6.432 -5.470 0.301 1.00 0.00 H new ATOM 0 HA TYR A 27 7.683 -6.582 2.588 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.068 -7.469 2.311 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.985 -8.696 1.460 1.00 0.00 H new ATOM 0 HD1 TYR A 27 6.477 -6.701 4.615 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.484 -10.546 2.779 1.00 0.00 H new ATOM 0 HE1 TYR A 27 7.099 -7.721 6.760 1.00 0.00 H new ATOM 0 HE2 TYR A 27 7.101 -11.570 4.925 1.00 0.00 H new ATOM 0 HH TYR A 27 7.567 -11.250 7.060 1.00 0.00 H new ATOM 393 N ARG A 28 9.178 -7.651 0.923 1.00 0.00 N ATOM 394 CA ARG A 28 10.126 -8.166 -0.061 1.00 0.00 C ATOM 395 C ARG A 28 10.643 -7.041 -0.953 1.00 0.00 C ATOM 396 O ARG A 28 11.844 -6.775 -0.994 1.00 0.00 O ATOM 397 CB ARG A 28 9.486 -9.260 -0.924 1.00 0.00 C ATOM 398 CG ARG A 28 10.448 -10.369 -1.318 1.00 0.00 C ATOM 399 CD ARG A 28 11.389 -9.929 -2.431 1.00 0.00 C ATOM 400 NE ARG A 28 10.996 -10.477 -3.728 1.00 0.00 N ATOM 401 CZ ARG A 28 10.224 -9.839 -4.606 1.00 0.00 C ATOM 402 NH1 ARG A 28 9.745 -8.631 -4.332 1.00 0.00 N ATOM 403 NH2 ARG A 28 9.926 -10.412 -5.763 1.00 0.00 N ATOM 0 H ARG A 28 9.577 -7.504 1.850 1.00 0.00 H new ATOM 0 HA ARG A 28 10.964 -8.600 0.484 1.00 0.00 H new ATOM 0 HB2 ARG A 28 8.647 -9.695 -0.380 1.00 0.00 H new ATOM 0 HB3 ARG A 28 9.079 -8.806 -1.828 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.030 -10.672 -0.448 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.883 -11.242 -1.643 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.402 -8.840 -2.486 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.404 -10.248 -2.195 1.00 0.00 H new ATOM 0 HE ARG A 28 11.334 -11.407 -3.976 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.968 -8.184 -3.443 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.155 -8.150 -5.011 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.288 -11.341 -5.980 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.335 -9.924 -6.436 1.00 0.00 H new ATOM 417 N ALA A 29 9.733 -6.386 -1.666 1.00 0.00 N ATOM 418 CA ALA A 29 10.108 -5.291 -2.558 1.00 0.00 C ATOM 419 C ALA A 29 9.541 -3.961 -2.073 1.00 0.00 C ATOM 420 O ALA A 29 10.202 -2.927 -2.162 1.00 0.00 O ATOM 421 CB ALA A 29 9.636 -5.581 -3.975 1.00 0.00 C ATOM 0 H ALA A 29 8.734 -6.592 -1.645 1.00 0.00 H new ATOM 0 HA ALA A 29 11.195 -5.212 -2.555 1.00 0.00 H new ATOM 0 HB1 ALA A 29 9.922 -4.757 -4.629 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.096 -6.503 -4.330 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.552 -5.690 -3.982 1.00 0.00 H new ATOM 427 N GLY A 30 8.314 -3.994 -1.563 1.00 0.00 N ATOM 428 CA GLY A 30 7.684 -2.781 -1.074 1.00 0.00 C ATOM 429 C GLY A 30 6.225 -2.667 -1.481 1.00 0.00 C ATOM 430 O GLY A 30 5.520 -1.764 -1.032 1.00 0.00 O ATOM 0 H GLY A 30 7.746 -4.837 -1.480 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.756 -2.753 0.013 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.230 -1.916 -1.452 1.00 0.00 H new ATOM 434 N ASP A 31 5.767 -3.583 -2.333 1.00 0.00 N ATOM 435 CA ASP A 31 4.383 -3.576 -2.792 1.00 0.00 C ATOM 436 C ASP A 31 3.534 -4.536 -1.953 1.00 0.00 C ATOM 437 O ASP A 31 3.826 -4.761 -0.779 1.00 0.00 O ATOM 438 CB ASP A 31 4.318 -3.928 -4.285 1.00 0.00 C ATOM 439 CG ASP A 31 5.573 -3.515 -5.036 1.00 0.00 C ATOM 440 OD1 ASP A 31 6.574 -4.258 -4.978 1.00 0.00 O ATOM 441 OD2 ASP A 31 5.556 -2.444 -5.676 1.00 0.00 O ATOM 0 H ASP A 31 6.335 -4.338 -2.718 1.00 0.00 H new ATOM 0 HA ASP A 31 3.973 -2.574 -2.664 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.169 -5.002 -4.395 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.453 -3.439 -4.733 1.00 0.00 H new ATOM 446 N MET A 32 2.480 -5.090 -2.547 1.00 0.00 N ATOM 447 CA MET A 32 1.592 -6.006 -1.838 1.00 0.00 C ATOM 448 C MET A 32 2.051 -7.458 -1.964 1.00 0.00 C ATOM 449 O MET A 32 2.104 -8.013 -3.051 1.00 0.00 O ATOM 450 CB MET A 32 0.179 -5.867 -2.389 1.00 0.00 C ATOM 451 CG MET A 32 -0.525 -4.594 -1.947 1.00 0.00 C ATOM 452 SD MET A 32 -2.258 -4.864 -1.528 1.00 0.00 S ATOM 453 CE MET A 32 -3.060 -3.704 -2.632 1.00 0.00 C ATOM 0 H MET A 32 2.220 -4.920 -3.519 1.00 0.00 H new ATOM 0 HA MET A 32 1.614 -5.743 -0.780 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.219 -5.891 -3.478 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.411 -6.727 -2.073 1.00 0.00 H new ATOM 0 HG2 MET A 32 -0.007 -4.179 -1.082 1.00 0.00 H new ATOM 0 HG3 MET A 32 -0.460 -3.853 -2.743 1.00 0.00 H new ATOM 0 HE1 MET A 32 -4.140 -3.754 -2.490 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.712 -2.694 -2.414 1.00 0.00 H new ATOM 0 HE3 MET A 32 -2.817 -3.957 -3.664 1.00 0.00 H new ATOM 463 N ILE A 33 2.403 -8.065 -0.848 1.00 0.00 N ATOM 464 CA ILE A 33 2.880 -9.439 -0.845 1.00 0.00 C ATOM 465 C ILE A 33 1.818 -10.403 -0.341 1.00 0.00 C ATOM 466 O ILE A 33 1.292 -10.244 0.758 1.00 0.00 O ATOM 467 CB ILE A 33 4.154 -9.544 0.027 1.00 0.00 C ATOM 468 CG1 ILE A 33 5.104 -10.627 -0.507 1.00 0.00 C ATOM 469 CG2 ILE A 33 3.792 -9.793 1.483 1.00 0.00 C ATOM 470 CD1 ILE A 33 5.019 -11.948 0.228 1.00 0.00 C ATOM 0 H ILE A 33 2.368 -7.629 0.073 1.00 0.00 H new ATOM 0 HA ILE A 33 3.114 -9.718 -1.872 1.00 0.00 H new ATOM 0 HB ILE A 33 4.681 -8.591 -0.028 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.887 -10.797 -1.562 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.128 -10.257 -0.448 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.703 -9.863 2.077 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.181 -8.969 1.852 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.233 -10.725 1.565 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.722 -12.655 -0.212 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.267 -11.796 1.279 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.007 -12.345 0.148 1.00 0.00 H new ATOM 482 N CYS A 34 1.527 -11.422 -1.137 1.00 0.00 N ATOM 483 CA CYS A 34 0.562 -12.425 -0.742 1.00 0.00 C ATOM 484 C CYS A 34 1.273 -13.479 0.084 1.00 0.00 C ATOM 485 O CYS A 34 1.880 -14.376 -0.477 1.00 0.00 O ATOM 486 CB CYS A 34 -0.065 -13.075 -1.968 1.00 0.00 C ATOM 487 SG CYS A 34 -1.231 -14.392 -1.584 1.00 0.00 S ATOM 0 H CYS A 34 1.946 -11.571 -2.055 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.230 -11.956 -0.159 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.577 -12.309 -2.551 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.728 -13.478 -2.598 1.00 0.00 H new ATOM 0 HG CYS A 34 -2.043 -14.559 -2.586 1.00 0.00 H new ATOM 493 N PRO A 35 1.207 -13.396 1.425 1.00 0.00 N ATOM 494 CA PRO A 35 1.868 -14.348 2.325 1.00 0.00 C ATOM 495 C PRO A 35 1.766 -15.797 1.867 1.00 0.00 C ATOM 496 O PRO A 35 2.507 -16.655 2.344 1.00 0.00 O ATOM 497 CB PRO A 35 1.138 -14.151 3.666 1.00 0.00 C ATOM 498 CG PRO A 35 0.056 -13.157 3.401 1.00 0.00 C ATOM 499 CD PRO A 35 0.473 -12.387 2.185 1.00 0.00 C ATOM 0 HA PRO A 35 2.941 -14.159 2.371 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.724 -15.092 4.027 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.822 -13.789 4.433 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.898 -13.657 3.235 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.077 -12.492 4.254 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.384 -12.002 1.632 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.099 -11.531 2.438 1.00 0.00 H new ATOM 507 N GLU A 36 0.844 -16.073 0.960 1.00 0.00 N ATOM 508 CA GLU A 36 0.644 -17.422 0.470 1.00 0.00 C ATOM 509 C GLU A 36 1.551 -17.705 -0.717 1.00 0.00 C ATOM 510 O GLU A 36 2.483 -18.498 -0.618 1.00 0.00 O ATOM 511 CB GLU A 36 -0.822 -17.616 0.089 1.00 0.00 C ATOM 512 CG GLU A 36 -1.699 -18.088 1.240 1.00 0.00 C ATOM 513 CD GLU A 36 -1.155 -19.321 1.927 1.00 0.00 C ATOM 514 OE1 GLU A 36 -0.218 -19.936 1.383 1.00 0.00 O ATOM 515 OE2 GLU A 36 -1.670 -19.674 3.008 1.00 0.00 O ATOM 0 H GLU A 36 0.222 -15.377 0.549 1.00 0.00 H new ATOM 0 HA GLU A 36 0.901 -18.127 1.260 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.216 -16.674 -0.293 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.884 -18.340 -0.723 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.795 -17.284 1.970 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.700 -18.299 0.864 1.00 0.00 H new ATOM 522 N CYS A 37 1.328 -17.007 -1.820 1.00 0.00 N ATOM 523 CA CYS A 37 2.186 -17.170 -2.987 1.00 0.00 C ATOM 524 C CYS A 37 3.315 -16.175 -2.881 1.00 0.00 C ATOM 525 O CYS A 37 4.344 -16.303 -3.535 1.00 0.00 O ATOM 526 CB CYS A 37 1.425 -16.953 -4.301 1.00 0.00 C ATOM 527 SG CYS A 37 0.346 -15.504 -4.317 1.00 0.00 S ATOM 0 H CYS A 37 0.572 -16.331 -1.933 1.00 0.00 H new ATOM 0 HA CYS A 37 2.563 -18.193 -3.003 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.147 -16.861 -5.112 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.824 -17.839 -4.508 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.147 -15.317 -3.129 1.00 0.00 H new ATOM 533 N GLY A 38 3.081 -15.176 -2.043 1.00 0.00 N ATOM 534 CA GLY A 38 4.032 -14.126 -1.811 1.00 0.00 C ATOM 535 C GLY A 38 4.241 -13.283 -3.041 1.00 0.00 C ATOM 536 O GLY A 38 5.331 -12.765 -3.284 1.00 0.00 O ATOM 0 H GLY A 38 2.218 -15.080 -1.507 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.686 -13.496 -0.992 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.983 -14.558 -1.500 1.00 0.00 H new ATOM 540 N LEU A 39 3.170 -13.137 -3.807 1.00 0.00 N ATOM 541 CA LEU A 39 3.189 -12.343 -5.017 1.00 0.00 C ATOM 542 C LEU A 39 3.249 -10.867 -4.657 1.00 0.00 C ATOM 543 O LEU A 39 2.660 -10.452 -3.659 1.00 0.00 O ATOM 544 CB LEU A 39 1.935 -12.638 -5.843 1.00 0.00 C ATOM 545 CG LEU A 39 0.718 -11.774 -5.504 1.00 0.00 C ATOM 546 CD1 LEU A 39 0.533 -10.715 -6.565 1.00 0.00 C ATOM 547 CD2 LEU A 39 -0.538 -12.613 -5.364 1.00 0.00 C ATOM 0 H LEU A 39 2.267 -13.566 -3.604 1.00 0.00 H new ATOM 0 HA LEU A 39 4.069 -12.597 -5.608 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.174 -12.504 -6.898 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.667 -13.686 -5.707 1.00 0.00 H new ATOM 0 HG LEU A 39 0.898 -11.293 -4.543 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.334 -10.102 -6.320 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.422 -10.085 -6.609 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.378 -11.192 -7.533 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.382 -11.967 -5.123 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.735 -13.133 -6.302 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.401 -13.343 -4.566 1.00 0.00 H new ATOM 559 N VAL A 40 3.974 -10.089 -5.449 1.00 0.00 N ATOM 560 CA VAL A 40 4.122 -8.672 -5.188 1.00 0.00 C ATOM 561 C VAL A 40 3.389 -7.833 -6.227 1.00 0.00 C ATOM 562 O VAL A 40 3.782 -7.791 -7.394 1.00 0.00 O ATOM 563 CB VAL A 40 5.607 -8.265 -5.169 1.00 0.00 C ATOM 564 CG1 VAL A 40 5.763 -6.847 -4.654 1.00 0.00 C ATOM 565 CG2 VAL A 40 6.420 -9.234 -4.323 1.00 0.00 C ATOM 0 H VAL A 40 4.468 -10.420 -6.278 1.00 0.00 H new ATOM 0 HA VAL A 40 3.683 -8.484 -4.208 1.00 0.00 H new ATOM 0 HB VAL A 40 5.985 -8.304 -6.190 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.819 -6.576 -4.647 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.217 -6.162 -5.303 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.366 -6.782 -3.641 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.466 -8.928 -4.323 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.041 -9.231 -3.301 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.336 -10.238 -4.738 1.00 0.00 H new ATOM 575 N VAL A 41 2.340 -7.141 -5.791 1.00 0.00 N ATOM 576 CA VAL A 41 1.576 -6.276 -6.683 1.00 0.00 C ATOM 577 C VAL A 41 1.725 -4.825 -6.258 1.00 0.00 C ATOM 578 O VAL A 41 1.668 -4.507 -5.071 1.00 0.00 O ATOM 579 CB VAL A 41 0.063 -6.598 -6.694 1.00 0.00 C ATOM 580 CG1 VAL A 41 -0.712 -5.545 -7.471 1.00 0.00 C ATOM 581 CG2 VAL A 41 -0.204 -7.970 -7.272 1.00 0.00 C ATOM 0 H VAL A 41 2.001 -7.162 -4.829 1.00 0.00 H new ATOM 0 HA VAL A 41 1.978 -6.450 -7.681 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.278 -6.590 -5.659 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.773 -5.795 -7.464 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.566 -4.570 -7.007 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.354 -5.515 -8.500 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.276 -8.165 -7.265 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.166 -8.012 -8.296 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.306 -8.723 -6.671 1.00 0.00 H new ATOM 591 N GLY A 42 1.891 -3.946 -7.230 1.00 0.00 N ATOM 592 CA GLY A 42 2.019 -2.540 -6.928 1.00 0.00 C ATOM 593 C GLY A 42 3.299 -1.949 -7.461 1.00 0.00 C ATOM 594 O GLY A 42 4.261 -2.666 -7.733 1.00 0.00 O ATOM 0 H GLY A 42 1.939 -4.181 -8.221 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.171 -2.002 -7.351 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.980 -2.399 -5.848 1.00 0.00 H new ATOM 598 N ASP A 43 3.309 -0.635 -7.604 1.00 0.00 N ATOM 599 CA ASP A 43 4.475 0.069 -8.102 1.00 0.00 C ATOM 600 C ASP A 43 4.249 1.575 -8.047 1.00 0.00 C ATOM 601 O ASP A 43 4.568 2.296 -8.995 1.00 0.00 O ATOM 602 CB ASP A 43 4.786 -0.362 -9.536 1.00 0.00 C ATOM 603 CG ASP A 43 6.242 -0.149 -9.904 1.00 0.00 C ATOM 604 OD1 ASP A 43 6.600 0.990 -10.267 1.00 0.00 O ATOM 605 OD2 ASP A 43 7.023 -1.120 -9.828 1.00 0.00 O ATOM 0 H ASP A 43 2.517 -0.032 -7.380 1.00 0.00 H new ATOM 0 HA ASP A 43 5.325 -0.182 -7.468 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.534 -1.415 -9.658 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.155 0.199 -10.225 1.00 0.00 H new ATOM 610 N ARG A 44 3.695 2.048 -6.934 1.00 0.00 N ATOM 611 CA ARG A 44 3.428 3.475 -6.763 1.00 0.00 C ATOM 612 C ARG A 44 4.619 4.194 -6.130 1.00 0.00 C ATOM 613 O ARG A 44 4.509 5.353 -5.732 1.00 0.00 O ATOM 614 CB ARG A 44 2.165 3.712 -5.918 1.00 0.00 C ATOM 615 CG ARG A 44 1.869 2.619 -4.901 1.00 0.00 C ATOM 616 CD ARG A 44 0.962 1.549 -5.488 1.00 0.00 C ATOM 617 NE ARG A 44 0.538 0.573 -4.486 1.00 0.00 N ATOM 618 CZ ARG A 44 -0.540 0.716 -3.718 1.00 0.00 C ATOM 619 NH1 ARG A 44 -1.297 1.803 -3.814 1.00 0.00 N ATOM 620 NH2 ARG A 44 -0.860 -0.229 -2.844 1.00 0.00 N ATOM 0 H ARG A 44 3.423 1.468 -6.140 1.00 0.00 H new ATOM 0 HA ARG A 44 3.263 3.888 -7.758 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.268 4.661 -5.392 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.310 3.810 -6.586 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.803 2.165 -4.569 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.397 3.056 -4.021 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.083 2.021 -5.927 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.484 1.035 -6.295 1.00 0.00 H new ATOM 0 HE ARG A 44 1.102 -0.269 -4.368 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.054 2.536 -4.480 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.121 1.904 -3.222 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.280 -1.064 -2.761 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.686 -0.121 -2.255 1.00 0.00 H new ATOM 634 N VAL A 45 5.759 3.507 -6.050 1.00 0.00 N ATOM 635 CA VAL A 45 6.972 4.089 -5.476 1.00 0.00 C ATOM 636 C VAL A 45 6.910 4.147 -3.952 1.00 0.00 C ATOM 637 O VAL A 45 7.803 3.648 -3.269 1.00 0.00 O ATOM 638 CB VAL A 45 7.238 5.507 -6.021 1.00 0.00 C ATOM 639 CG1 VAL A 45 8.659 5.942 -5.700 1.00 0.00 C ATOM 640 CG2 VAL A 45 6.979 5.566 -7.523 1.00 0.00 C ATOM 0 H VAL A 45 5.868 2.546 -6.376 1.00 0.00 H new ATOM 0 HA VAL A 45 7.790 3.433 -5.772 1.00 0.00 H new ATOM 0 HB VAL A 45 6.550 6.198 -5.533 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.830 6.945 -6.092 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.803 5.945 -4.620 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.364 5.248 -6.158 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.173 6.575 -7.886 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.638 4.864 -8.034 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.941 5.301 -7.724 1.00 0.00 H new ATOM 650 N ILE A 46 5.858 4.770 -3.421 1.00 0.00 N ATOM 651 CA ILE A 46 5.691 4.902 -1.977 1.00 0.00 C ATOM 652 C ILE A 46 6.754 5.832 -1.394 1.00 0.00 C ATOM 653 O ILE A 46 7.906 5.439 -1.214 1.00 0.00 O ATOM 654 CB ILE A 46 5.745 3.522 -1.270 1.00 0.00 C ATOM 655 CG1 ILE A 46 4.356 2.876 -1.270 1.00 0.00 C ATOM 656 CG2 ILE A 46 6.272 3.647 0.156 1.00 0.00 C ATOM 657 CD1 ILE A 46 3.359 3.586 -0.378 1.00 0.00 C ATOM 0 H ILE A 46 5.109 5.191 -3.971 1.00 0.00 H new ATOM 0 HA ILE A 46 4.706 5.335 -1.800 1.00 0.00 H new ATOM 0 HB ILE A 46 6.435 2.886 -1.825 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.972 2.860 -2.290 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.446 1.839 -0.947 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.297 2.662 0.622 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.279 4.065 0.137 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.618 4.304 0.729 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.398 3.074 -0.427 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.721 3.579 0.650 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.239 4.616 -0.714 1.00 0.00 H new ATOM 669 N ASP A 47 6.353 7.066 -1.102 1.00 0.00 N ATOM 670 CA ASP A 47 7.265 8.055 -0.540 1.00 0.00 C ATOM 671 C ASP A 47 6.675 8.684 0.718 1.00 0.00 C ATOM 672 O ASP A 47 5.457 8.811 0.846 1.00 0.00 O ATOM 673 CB ASP A 47 7.570 9.141 -1.572 1.00 0.00 C ATOM 674 CG ASP A 47 8.804 8.829 -2.395 1.00 0.00 C ATOM 675 OD1 ASP A 47 9.085 7.632 -2.613 1.00 0.00 O ATOM 676 OD2 ASP A 47 9.490 9.781 -2.822 1.00 0.00 O ATOM 0 H ASP A 47 5.402 7.404 -1.246 1.00 0.00 H new ATOM 0 HA ASP A 47 8.192 7.548 -0.271 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.714 9.257 -2.236 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.709 10.094 -1.062 1.00 0.00 H new ATOM 681 N VAL A 48 7.545 9.077 1.643 1.00 0.00 N ATOM 682 CA VAL A 48 7.108 9.693 2.889 1.00 0.00 C ATOM 683 C VAL A 48 7.196 11.214 2.809 1.00 0.00 C ATOM 684 O VAL A 48 7.564 11.770 1.774 1.00 0.00 O ATOM 685 CB VAL A 48 7.948 9.202 4.085 1.00 0.00 C ATOM 686 CG1 VAL A 48 7.759 7.706 4.290 1.00 0.00 C ATOM 687 CG2 VAL A 48 9.417 9.537 3.883 1.00 0.00 C ATOM 0 H VAL A 48 8.556 8.980 1.552 1.00 0.00 H new ATOM 0 HA VAL A 48 6.070 9.399 3.041 1.00 0.00 H new ATOM 0 HB VAL A 48 7.603 9.717 4.982 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.359 7.376 5.138 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.708 7.496 4.486 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.075 7.173 3.393 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.992 9.182 4.738 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.779 9.053 2.976 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.535 10.617 3.790 1.00 0.00 H new ATOM 697 N GLY A 49 6.859 11.881 3.908 1.00 0.00 N ATOM 698 CA GLY A 49 6.908 13.331 3.937 1.00 0.00 C ATOM 699 C GLY A 49 7.308 13.873 5.295 1.00 0.00 C ATOM 700 O GLY A 49 8.133 14.782 5.390 1.00 0.00 O ATOM 0 H GLY A 49 6.553 11.444 4.778 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.616 13.682 3.187 1.00 0.00 H new ATOM 0 HA3 GLY A 49 5.931 13.730 3.664 1.00 0.00 H new ATOM 704 N SER A 50 6.721 13.316 6.349 1.00 0.00 N ATOM 705 CA SER A 50 7.020 13.752 7.709 1.00 0.00 C ATOM 706 C SER A 50 8.391 13.248 8.152 1.00 0.00 C ATOM 707 O SER A 50 9.368 13.996 8.147 1.00 0.00 O ATOM 708 CB SER A 50 5.937 13.258 8.673 1.00 0.00 C ATOM 709 OG SER A 50 5.248 14.346 9.264 1.00 0.00 O ATOM 0 H SER A 50 6.036 12.563 6.288 1.00 0.00 H new ATOM 0 HA SER A 50 7.036 14.842 7.723 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.231 12.623 8.138 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.390 12.644 9.451 1.00 0.00 H new ATOM 0 HG SER A 50 4.561 14.005 9.874 1.00 0.00 H new ATOM 715 N GLU A 51 8.454 11.976 8.537 1.00 0.00 N ATOM 716 CA GLU A 51 9.705 11.370 8.986 1.00 0.00 C ATOM 717 C GLU A 51 10.153 11.964 10.317 1.00 0.00 C ATOM 718 O GLU A 51 10.120 11.295 11.351 1.00 0.00 O ATOM 719 CB GLU A 51 10.801 11.558 7.932 1.00 0.00 C ATOM 720 CG GLU A 51 11.691 10.339 7.754 1.00 0.00 C ATOM 721 CD GLU A 51 12.934 10.393 8.622 1.00 0.00 C ATOM 722 OE1 GLU A 51 13.777 11.286 8.397 1.00 0.00 O ATOM 723 OE2 GLU A 51 13.064 9.540 9.525 1.00 0.00 O ATOM 0 H GLU A 51 7.653 11.344 8.547 1.00 0.00 H new ATOM 0 HA GLU A 51 9.529 10.304 9.127 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.336 11.801 6.976 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.419 12.411 8.211 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.123 9.441 7.995 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.986 10.259 6.708 1.00 0.00 H new ATOM 730 N TRP A 52 10.572 13.226 10.285 1.00 0.00 N ATOM 731 CA TRP A 52 11.027 13.915 11.487 1.00 0.00 C ATOM 732 C TRP A 52 12.175 13.155 12.155 1.00 0.00 C ATOM 733 O TRP A 52 13.343 13.383 11.838 1.00 0.00 O ATOM 734 CB TRP A 52 9.864 14.099 12.469 1.00 0.00 C ATOM 735 CG TRP A 52 8.885 15.152 12.045 1.00 0.00 C ATOM 736 CD1 TRP A 52 8.718 15.661 10.789 1.00 0.00 C ATOM 737 CD2 TRP A 52 7.936 15.824 12.881 1.00 0.00 C ATOM 738 NE1 TRP A 52 7.724 16.610 10.794 1.00 0.00 N ATOM 739 CE2 TRP A 52 7.227 16.728 12.066 1.00 0.00 C ATOM 740 CE3 TRP A 52 7.615 15.750 14.240 1.00 0.00 C ATOM 741 CZ2 TRP A 52 6.220 17.549 12.565 1.00 0.00 C ATOM 742 CZ3 TRP A 52 6.614 16.565 14.734 1.00 0.00 C ATOM 743 CH2 TRP A 52 5.928 17.455 13.899 1.00 0.00 C ATOM 0 H TRP A 52 10.606 13.793 9.437 1.00 0.00 H new ATOM 0 HA TRP A 52 11.398 14.897 11.195 1.00 0.00 H new ATOM 0 HB2 TRP A 52 9.339 13.150 12.581 1.00 0.00 H new ATOM 0 HB3 TRP A 52 10.264 14.359 13.449 1.00 0.00 H new ATOM 0 HD1 TRP A 52 9.284 15.362 9.919 1.00 0.00 H new ATOM 0 HE1 TRP A 52 7.407 17.141 9.983 1.00 0.00 H new ATOM 0 HE3 TRP A 52 8.140 15.068 14.892 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 5.688 18.235 11.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 6.357 16.514 15.782 1.00 0.00 H new ATOM 0 HH2 TRP A 52 5.152 18.080 14.316 1.00 0.00 H new ATOM 754 N ARG A 53 11.839 12.248 13.076 1.00 0.00 N ATOM 755 CA ARG A 53 12.845 11.455 13.782 1.00 0.00 C ATOM 756 C ARG A 53 14.014 12.323 14.243 1.00 0.00 C ATOM 757 O ARG A 53 15.037 12.416 13.563 1.00 0.00 O ATOM 758 CB ARG A 53 13.357 10.328 12.885 1.00 0.00 C ATOM 759 CG ARG A 53 13.789 9.088 13.652 1.00 0.00 C ATOM 760 CD ARG A 53 15.120 9.303 14.353 1.00 0.00 C ATOM 761 NE ARG A 53 15.557 8.111 15.075 1.00 0.00 N ATOM 762 CZ ARG A 53 16.592 8.089 15.912 1.00 0.00 C ATOM 763 NH1 ARG A 53 17.295 9.192 16.137 1.00 0.00 N ATOM 764 NH2 ARG A 53 16.923 6.963 16.528 1.00 0.00 N ATOM 0 H ARG A 53 10.877 12.046 13.349 1.00 0.00 H new ATOM 0 HA ARG A 53 12.371 11.026 14.665 1.00 0.00 H new ATOM 0 HB2 ARG A 53 12.574 10.053 12.178 1.00 0.00 H new ATOM 0 HB3 ARG A 53 14.200 10.695 12.300 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.027 8.830 14.387 1.00 0.00 H new ATOM 0 HG3 ARG A 53 13.870 8.244 12.966 1.00 0.00 H new ATOM 0 HD2 ARG A 53 15.876 9.579 13.618 1.00 0.00 H new ATOM 0 HD3 ARG A 53 15.032 10.137 15.049 1.00 0.00 H new ATOM 0 HE ARG A 53 15.039 7.245 14.929 1.00 0.00 H new ATOM 0 HH11 ARG A 53 17.043 10.062 15.668 1.00 0.00 H new ATOM 0 HH12 ARG A 53 18.087 9.170 16.779 1.00 0.00 H new ATOM 0 HH21 ARG A 53 16.385 6.113 16.361 1.00 0.00 H new ATOM 0 HH22 ARG A 53 17.716 6.947 17.169 1.00 0.00 H new ATOM 778 N THR A 54 13.856 12.961 15.398 1.00 0.00 N ATOM 779 CA THR A 54 14.900 13.821 15.944 1.00 0.00 C ATOM 780 C THR A 54 15.129 13.534 17.425 1.00 0.00 C ATOM 781 O THR A 54 14.531 12.617 17.991 1.00 0.00 O ATOM 782 CB THR A 54 14.529 15.293 15.748 1.00 0.00 C ATOM 783 OG1 THR A 54 13.589 15.438 14.700 1.00 0.00 O ATOM 784 CG2 THR A 54 15.719 16.170 15.425 1.00 0.00 C ATOM 0 H THR A 54 13.016 12.899 15.974 1.00 0.00 H new ATOM 0 HA THR A 54 15.825 13.610 15.408 1.00 0.00 H new ATOM 0 HB THR A 54 14.108 15.616 16.700 1.00 0.00 H new ATOM 0 HG1 THR A 54 13.363 16.386 14.592 1.00 0.00 H new ATOM 0 HG21 THR A 54 15.388 17.201 15.298 1.00 0.00 H new ATOM 0 HG22 THR A 54 16.441 16.119 16.240 1.00 0.00 H new ATOM 0 HG23 THR A 54 16.187 15.823 14.504 1.00 0.00 H new ATOM 792 N PHE A 55 15.998 14.325 18.046 1.00 0.00 N ATOM 793 CA PHE A 55 16.309 14.158 19.459 1.00 0.00 C ATOM 794 C PHE A 55 16.652 15.500 20.104 1.00 0.00 C ATOM 795 O PHE A 55 17.763 15.700 20.596 1.00 0.00 O ATOM 796 CB PHE A 55 17.474 13.182 19.633 1.00 0.00 C ATOM 797 CG PHE A 55 18.767 13.676 19.047 1.00 0.00 C ATOM 798 CD1 PHE A 55 18.880 13.911 17.686 1.00 0.00 C ATOM 799 CD2 PHE A 55 19.865 13.910 19.857 1.00 0.00 C ATOM 800 CE1 PHE A 55 20.066 14.369 17.144 1.00 0.00 C ATOM 801 CE2 PHE A 55 21.054 14.367 19.322 1.00 0.00 C ATOM 802 CZ PHE A 55 21.155 14.596 17.963 1.00 0.00 C ATOM 0 H PHE A 55 16.499 15.088 17.591 1.00 0.00 H new ATOM 0 HA PHE A 55 15.427 13.753 19.955 1.00 0.00 H new ATOM 0 HB2 PHE A 55 17.618 12.987 20.696 1.00 0.00 H new ATOM 0 HB3 PHE A 55 17.213 12.232 19.167 1.00 0.00 H new ATOM 0 HD1 PHE A 55 18.032 13.734 17.041 1.00 0.00 H new ATOM 0 HD2 PHE A 55 19.791 13.733 20.920 1.00 0.00 H new ATOM 0 HE1 PHE A 55 20.141 14.549 16.082 1.00 0.00 H new ATOM 0 HE2 PHE A 55 21.903 14.545 19.965 1.00 0.00 H new ATOM 0 HZ PHE A 55 22.084 14.952 17.542 1.00 0.00 H new ATOM 812 N SER A 56 15.691 16.418 20.095 1.00 0.00 N ATOM 813 CA SER A 56 15.891 17.741 20.675 1.00 0.00 C ATOM 814 C SER A 56 17.001 18.492 19.945 1.00 0.00 C ATOM 815 O SER A 56 17.663 17.940 19.068 1.00 0.00 O ATOM 816 CB SER A 56 16.233 17.623 22.163 1.00 0.00 C ATOM 817 OG SER A 56 15.565 16.521 22.753 1.00 0.00 O ATOM 0 H SER A 56 14.766 16.270 19.692 1.00 0.00 H new ATOM 0 HA SER A 56 14.963 18.302 20.566 1.00 0.00 H new ATOM 0 HB2 SER A 56 17.310 17.507 22.284 1.00 0.00 H new ATOM 0 HB3 SER A 56 15.952 18.541 22.678 1.00 0.00 H new ATOM 0 HG SER A 56 15.801 16.466 23.703 1.00 0.00 H new ATOM 823 N ASN A 57 17.197 19.753 20.317 1.00 0.00 N ATOM 824 CA ASN A 57 18.226 20.581 19.697 1.00 0.00 C ATOM 825 C ASN A 57 19.221 21.079 20.741 1.00 0.00 C ATOM 826 O ASN A 57 18.980 20.973 21.943 1.00 0.00 O ATOM 827 CB ASN A 57 17.588 21.768 18.975 1.00 0.00 C ATOM 828 CG ASN A 57 18.504 22.369 17.928 1.00 0.00 C ATOM 829 OD1 ASN A 57 19.113 21.652 17.134 1.00 0.00 O ATOM 830 ND2 ASN A 57 18.609 23.693 17.922 1.00 0.00 N ATOM 0 H ASN A 57 16.658 20.224 21.044 1.00 0.00 H new ATOM 0 HA ASN A 57 18.762 19.971 18.971 1.00 0.00 H new ATOM 0 HB2 ASN A 57 16.661 21.445 18.501 1.00 0.00 H new ATOM 0 HB3 ASN A 57 17.323 22.533 19.704 1.00 0.00 H new ATOM 0 HD21 ASN A 57 19.213 24.154 17.241 1.00 0.00 H new ATOM 0 HD22 ASN A 57 18.086 24.249 18.598 1.00 0.00 H new ATOM 837 N ASP A 58 20.339 21.625 20.272 1.00 0.00 N ATOM 838 CA ASP A 58 21.369 22.140 21.166 1.00 0.00 C ATOM 839 C ASP A 58 20.912 23.434 21.832 1.00 0.00 C ATOM 840 O ASP A 58 21.071 23.612 23.039 1.00 0.00 O ATOM 841 CB ASP A 58 22.669 22.380 20.396 1.00 0.00 C ATOM 842 CG ASP A 58 23.893 22.292 21.287 1.00 0.00 C ATOM 843 OD1 ASP A 58 24.409 21.172 21.480 1.00 0.00 O ATOM 844 OD2 ASP A 58 24.336 23.346 21.790 1.00 0.00 O ATOM 0 H ASP A 58 20.554 21.722 19.280 1.00 0.00 H new ATOM 0 HA ASP A 58 21.547 21.396 21.942 1.00 0.00 H new ATOM 0 HB2 ASP A 58 22.754 21.647 19.594 1.00 0.00 H new ATOM 0 HB3 ASP A 58 22.634 23.363 19.927 1.00 0.00 H new ATOM 849 N LYS A 59 20.347 24.335 21.034 1.00 0.00 N ATOM 850 CA LYS A 59 19.865 25.614 21.545 1.00 0.00 C ATOM 851 C LYS A 59 18.353 25.729 21.387 1.00 0.00 C ATOM 852 O LYS A 59 17.757 24.842 20.737 1.00 0.00 O ATOM 853 CB LYS A 59 20.560 26.769 20.820 1.00 0.00 C ATOM 854 CG LYS A 59 21.536 27.537 21.696 1.00 0.00 C ATOM 855 CD LYS A 59 22.811 27.889 20.942 1.00 0.00 C ATOM 856 CE LYS A 59 24.021 27.182 21.529 1.00 0.00 C ATOM 857 NZ LYS A 59 24.348 25.932 20.790 1.00 0.00 N ATOM 0 H LYS A 59 20.212 24.203 20.032 1.00 0.00 H new ATOM 0 HA LYS A 59 20.103 25.667 22.607 1.00 0.00 H new ATOM 0 HB2 LYS A 59 21.093 26.375 19.955 1.00 0.00 H new ATOM 0 HB3 LYS A 59 19.804 27.458 20.442 1.00 0.00 H new ATOM 0 HG2 LYS A 59 21.062 28.450 22.056 1.00 0.00 H new ATOM 0 HG3 LYS A 59 21.785 26.940 22.574 1.00 0.00 H new ATOM 0 HD2 LYS A 59 22.702 27.614 19.893 1.00 0.00 H new ATOM 0 HD3 LYS A 59 22.968 28.967 20.974 1.00 0.00 H new ATOM 0 HE2 LYS A 59 24.880 27.853 21.505 1.00 0.00 H new ATOM 0 HE3 LYS A 59 23.830 26.945 22.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 24.277 25.119 21.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 23.680 25.809 20.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 25.316 25.993 20.416 1.00 0.00 H new TER 871 LYS A 59