USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 814 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ARG N :NH3+ 159:sc= 0.0123 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -111:sc= -2.14! (180deg=-4.81!) USER MOD Single : A 11 HIS : no HE2:sc= 0.0748 K(o=0.075,f=-0.46) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN : amide:sc= -5.25! C(o=-5.3!,f=-7!) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 73:sc= 1.14 USER MOD Single : A 20 GLN : amide:sc= -0.272 K(o=-0.27,f=-2.5!) USER MOD Single : A 22 THR OG1 : rot -55:sc= 0.755 USER MOD Single : A 23 LYS NZ :NH3+ 175:sc= 0.063 (180deg=0.0587) USER MOD Single : A 26 LYS NZ :NH3+ -126:sc= -0.958 (180deg=-4.44!) USER MOD Single : A 27 ASN : amide:sc= -2.75! C(o=-2.8!,f=-2.9!) USER MOD Single : A 31 ASN : amide:sc= -3.85! C(o=-3.9!,f=-4.2!) USER MOD Single : A 36 THR OG1 : rot 71:sc= 0.363 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.356 K(o=-0.36,f=-2.4!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.23 X(o=-0.23,f=-0.48) USER MOD Single : A 53 LYS NZ :NH3+ 148:sc= -1.1 (180deg=-1.41) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.269 X(o=-0.27,f=-0.12) USER MOD Single : A 58 GLN :FLIP amide:sc= -0.352 F(o=-1.2,f=-0.35) USER MOD Single : A 60 LYS NZ :NH3+ 152:sc= -0.0673 (180deg=-0.371) USER MOD Single : A 63 GLN : amide:sc= -0.203 K(o=-0.2,f=-0.86) USER MOD Single : A 66 HIS : no HD1:sc=-0.000135 X(o=-0.00014,f=-0.016) USER MOD Single : A 67 GLN : amide:sc= -0.943 K(o=-0.94,f=-2.3!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.754 K(o=-0.75,f=-7.4!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -1.72! C(o=-1.7!,f=-5.8!) USER MOD Single : A 81 GLN : amide:sc= -3.09! C(o=-3.1!,f=-5.8!) USER MOD Single : A 83 ASN : amide:sc= -0.0271 X(o=-0.027,f=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.117 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot -61:sc= 0.181 USER MOD Single : A 92 GLN : amide:sc= -0.0105 X(o=-0.011,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 89.655 12.252 20.513 1.00 0.00 N ATOM 2 CA ARG A 1 89.691 12.540 19.090 1.00 0.00 C ATOM 3 C ARG A 1 88.494 11.896 18.387 1.00 0.00 C ATOM 4 O ARG A 1 88.034 10.829 18.790 1.00 0.00 O ATOM 5 CB ARG A 1 90.984 12.023 18.456 1.00 0.00 C ATOM 6 CG ARG A 1 91.760 13.159 17.787 1.00 0.00 C ATOM 7 CD ARG A 1 93.201 12.741 17.492 1.00 0.00 C ATOM 8 NE ARG A 1 93.468 12.831 16.040 1.00 0.00 N ATOM 9 CZ ARG A 1 94.422 12.121 15.400 1.00 0.00 C ATOM 10 NH1 ARG A 1 95.210 11.262 16.081 1.00 0.00 N ATOM 11 NH2 ARG A 1 94.574 12.281 14.098 1.00 0.00 N ATOM 0 H1 ARG A 1 90.607 12.370 20.915 1.00 0.00 H new ATOM 0 H2 ARG A 1 88.997 12.906 20.983 1.00 0.00 H new ATOM 0 H3 ARG A 1 89.335 11.274 20.661 1.00 0.00 H new ATOM 0 HA ARG A 1 89.648 13.623 18.970 1.00 0.00 H new ATOM 0 HB2 ARG A 1 91.605 11.554 19.219 1.00 0.00 H new ATOM 0 HB3 ARG A 1 90.750 11.255 17.719 1.00 0.00 H new ATOM 0 HG2 ARG A 1 91.264 13.446 16.860 1.00 0.00 H new ATOM 0 HG3 ARG A 1 91.758 14.036 18.434 1.00 0.00 H new ATOM 0 HD2 ARG A 1 93.893 13.382 18.038 1.00 0.00 H new ATOM 0 HD3 ARG A 1 93.371 11.722 17.839 1.00 0.00 H new ATOM 0 HE ARG A 1 92.896 13.469 15.487 1.00 0.00 H new ATOM 0 HH11 ARG A 1 95.087 11.145 17.087 1.00 0.00 H new ATOM 0 HH12 ARG A 1 95.928 10.730 15.590 1.00 0.00 H new ATOM 0 HH21 ARG A 1 93.976 12.933 13.591 1.00 0.00 H new ATOM 0 HH22 ARG A 1 95.290 11.752 13.599 1.00 0.00 H new ATOM 24 N LYS A 2 88.023 12.573 17.350 1.00 0.00 N ATOM 25 CA LYS A 2 86.889 12.080 16.587 1.00 0.00 C ATOM 26 C LYS A 2 85.604 12.312 17.386 1.00 0.00 C ATOM 27 O LYS A 2 85.656 12.672 18.561 1.00 0.00 O ATOM 28 CB LYS A 2 87.107 10.620 16.184 1.00 0.00 C ATOM 29 CG LYS A 2 86.764 10.401 14.710 1.00 0.00 C ATOM 30 CD LYS A 2 86.849 8.919 14.341 1.00 0.00 C ATOM 31 CE LYS A 2 87.117 8.740 12.845 1.00 0.00 C ATOM 32 NZ LYS A 2 85.899 8.260 12.154 1.00 0.00 N ATOM 0 H LYS A 2 88.406 13.459 17.020 1.00 0.00 H new ATOM 0 HA LYS A 2 86.789 12.632 15.653 1.00 0.00 H new ATOM 0 HB2 LYS A 2 88.145 10.340 16.365 1.00 0.00 H new ATOM 0 HB3 LYS A 2 86.489 9.971 16.805 1.00 0.00 H new ATOM 0 HG2 LYS A 2 85.759 10.773 14.508 1.00 0.00 H new ATOM 0 HG3 LYS A 2 87.448 10.975 14.085 1.00 0.00 H new ATOM 0 HD2 LYS A 2 87.643 8.443 14.916 1.00 0.00 H new ATOM 0 HD3 LYS A 2 85.918 8.420 14.609 1.00 0.00 H new ATOM 0 HE2 LYS A 2 87.439 9.687 12.411 1.00 0.00 H new ATOM 0 HE3 LYS A 2 87.930 8.029 12.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 86.098 8.144 11.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 85.609 7.346 12.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 85.133 8.952 12.279 1.00 0.00 H new ATOM 45 N LEU A 3 84.482 12.096 16.716 1.00 0.00 N ATOM 46 CA LEU A 3 83.186 12.277 17.348 1.00 0.00 C ATOM 47 C LEU A 3 82.589 10.908 17.679 1.00 0.00 C ATOM 48 O LEU A 3 83.181 9.877 17.366 1.00 0.00 O ATOM 49 CB LEU A 3 82.281 13.148 16.475 1.00 0.00 C ATOM 50 CG LEU A 3 81.810 14.463 17.099 1.00 0.00 C ATOM 51 CD1 LEU A 3 82.037 15.636 16.143 1.00 0.00 C ATOM 52 CD2 LEU A 3 80.351 14.365 17.549 1.00 0.00 C ATOM 0 H LEU A 3 84.443 11.797 15.742 1.00 0.00 H new ATOM 0 HA LEU A 3 83.294 12.814 18.290 1.00 0.00 H new ATOM 0 HB2 LEU A 3 82.812 13.377 15.551 1.00 0.00 H new ATOM 0 HB3 LEU A 3 81.403 12.564 16.201 1.00 0.00 H new ATOM 0 HG LEU A 3 82.410 14.652 17.989 1.00 0.00 H new ATOM 0 HD11 LEU A 3 81.694 16.559 16.611 1.00 0.00 H new ATOM 0 HD12 LEU A 3 83.100 15.719 15.914 1.00 0.00 H new ATOM 0 HD13 LEU A 3 81.480 15.467 15.221 1.00 0.00 H new ATOM 0 HD21 LEU A 3 80.041 15.313 17.989 1.00 0.00 H new ATOM 0 HD22 LEU A 3 79.719 14.140 16.689 1.00 0.00 H new ATOM 0 HD23 LEU A 3 80.251 13.572 18.290 1.00 0.00 H new ATOM 64 N GLU A 4 81.424 10.943 18.309 1.00 0.00 N ATOM 65 CA GLU A 4 80.740 9.717 18.686 1.00 0.00 C ATOM 66 C GLU A 4 79.576 9.444 17.732 1.00 0.00 C ATOM 67 O GLU A 4 79.278 10.259 16.860 1.00 0.00 O ATOM 68 CB GLU A 4 80.257 9.783 20.136 1.00 0.00 C ATOM 69 CG GLU A 4 81.174 8.976 21.057 1.00 0.00 C ATOM 70 CD GLU A 4 81.556 9.787 22.297 1.00 0.00 C ATOM 71 OE1 GLU A 4 81.091 9.481 23.405 1.00 0.00 O ATOM 72 OE2 GLU A 4 82.368 10.765 22.080 1.00 0.00 O ATOM 0 H GLU A 4 80.936 11.801 18.568 1.00 0.00 H new ATOM 0 HA GLU A 4 81.447 8.891 18.610 1.00 0.00 H new ATOM 0 HB2 GLU A 4 80.227 10.821 20.466 1.00 0.00 H new ATOM 0 HB3 GLU A 4 79.239 9.398 20.202 1.00 0.00 H new ATOM 0 HG2 GLU A 4 80.673 8.056 21.360 1.00 0.00 H new ATOM 0 HG3 GLU A 4 82.075 8.686 20.516 1.00 0.00 H new ATOM 80 N LEU A 5 78.950 8.293 17.928 1.00 0.00 N ATOM 81 CA LEU A 5 77.825 7.902 17.096 1.00 0.00 C ATOM 82 C LEU A 5 76.698 8.924 17.255 1.00 0.00 C ATOM 83 O LEU A 5 76.825 9.878 18.021 1.00 0.00 O ATOM 84 CB LEU A 5 77.400 6.465 17.409 1.00 0.00 C ATOM 85 CG LEU A 5 77.932 5.387 16.463 1.00 0.00 C ATOM 86 CD1 LEU A 5 77.292 5.509 15.078 1.00 0.00 C ATOM 87 CD2 LEU A 5 79.460 5.423 16.393 1.00 0.00 C ATOM 0 H LEU A 5 79.201 7.619 18.651 1.00 0.00 H new ATOM 0 HA LEU A 5 78.112 7.904 16.044 1.00 0.00 H new ATOM 0 HB2 LEU A 5 77.724 6.224 18.421 1.00 0.00 H new ATOM 0 HB3 LEU A 5 76.311 6.420 17.403 1.00 0.00 H new ATOM 0 HG LEU A 5 77.651 4.413 16.864 1.00 0.00 H new ATOM 0 HD11 LEU A 5 77.687 4.731 14.425 1.00 0.00 H new ATOM 0 HD12 LEU A 5 76.211 5.395 15.165 1.00 0.00 H new ATOM 0 HD13 LEU A 5 77.521 6.488 14.656 1.00 0.00 H new ATOM 0 HD21 LEU A 5 79.812 4.646 15.714 1.00 0.00 H new ATOM 0 HD22 LEU A 5 79.785 6.398 16.029 1.00 0.00 H new ATOM 0 HD23 LEU A 5 79.874 5.250 17.386 1.00 0.00 H new ATOM 99 N THR A 6 75.622 8.691 16.518 1.00 0.00 N ATOM 100 CA THR A 6 74.474 9.580 16.568 1.00 0.00 C ATOM 101 C THR A 6 73.416 9.032 17.528 1.00 0.00 C ATOM 102 O THR A 6 72.871 7.952 17.306 1.00 0.00 O ATOM 103 CB THR A 6 73.959 9.767 15.139 1.00 0.00 C ATOM 104 OG1 THR A 6 72.853 10.654 15.282 1.00 0.00 O ATOM 105 CG2 THR A 6 73.340 8.489 14.568 1.00 0.00 C ATOM 0 H THR A 6 75.521 7.899 15.883 1.00 0.00 H new ATOM 0 HA THR A 6 74.748 10.559 16.961 1.00 0.00 H new ATOM 0 HB THR A 6 74.778 10.092 14.498 1.00 0.00 H new ATOM 0 HG1 THR A 6 72.460 10.831 14.402 1.00 0.00 H new ATOM 0 HG21 THR A 6 72.991 8.676 13.553 1.00 0.00 H new ATOM 0 HG22 THR A 6 74.089 7.697 14.554 1.00 0.00 H new ATOM 0 HG23 THR A 6 72.499 8.182 15.190 1.00 0.00 H new ATOM 113 N LYS A 7 73.158 9.803 18.575 1.00 0.00 N ATOM 114 CA LYS A 7 72.176 9.408 19.570 1.00 0.00 C ATOM 115 C LYS A 7 70.796 9.326 18.914 1.00 0.00 C ATOM 116 O LYS A 7 70.677 9.442 17.695 1.00 0.00 O ATOM 117 CB LYS A 7 72.228 10.348 20.776 1.00 0.00 C ATOM 118 CG LYS A 7 71.987 11.799 20.352 1.00 0.00 C ATOM 119 CD LYS A 7 72.108 12.747 21.546 1.00 0.00 C ATOM 120 CE LYS A 7 70.731 13.078 22.125 1.00 0.00 C ATOM 121 NZ LYS A 7 70.762 13.017 23.603 1.00 0.00 N ATOM 0 H LYS A 7 73.612 10.698 18.755 1.00 0.00 H new ATOM 0 HA LYS A 7 72.405 8.415 19.958 1.00 0.00 H new ATOM 0 HB2 LYS A 7 71.476 10.049 21.507 1.00 0.00 H new ATOM 0 HB3 LYS A 7 73.199 10.265 21.265 1.00 0.00 H new ATOM 0 HG2 LYS A 7 72.707 12.082 19.584 1.00 0.00 H new ATOM 0 HG3 LYS A 7 70.996 11.892 19.908 1.00 0.00 H new ATOM 0 HD2 LYS A 7 72.730 12.290 22.316 1.00 0.00 H new ATOM 0 HD3 LYS A 7 72.607 13.665 21.237 1.00 0.00 H new ATOM 0 HE2 LYS A 7 70.424 14.073 21.803 1.00 0.00 H new ATOM 0 HE3 LYS A 7 69.990 12.376 21.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 69.820 13.244 23.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 71.034 12.060 23.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 71.454 13.704 23.964 1.00 0.00 H new ATOM 134 N ALA A 8 69.789 9.126 19.751 1.00 0.00 N ATOM 135 CA ALA A 8 68.422 9.027 19.267 1.00 0.00 C ATOM 136 C ALA A 8 68.153 10.160 18.275 1.00 0.00 C ATOM 137 O ALA A 8 68.808 11.200 18.323 1.00 0.00 O ATOM 138 CB ALA A 8 67.457 9.050 20.454 1.00 0.00 C ATOM 0 H ALA A 8 69.892 9.030 20.761 1.00 0.00 H new ATOM 0 HA ALA A 8 68.269 8.085 18.741 1.00 0.00 H new ATOM 0 HB1 ALA A 8 66.432 8.976 20.091 1.00 0.00 H new ATOM 0 HB2 ALA A 8 67.670 8.208 21.113 1.00 0.00 H new ATOM 0 HB3 ALA A 8 67.580 9.982 21.005 1.00 0.00 H new ATOM 144 N GLU A 9 67.189 9.919 17.398 1.00 0.00 N ATOM 145 CA GLU A 9 66.826 10.906 16.396 1.00 0.00 C ATOM 146 C GLU A 9 65.307 10.947 16.218 1.00 0.00 C ATOM 147 O GLU A 9 64.755 10.221 15.392 1.00 0.00 O ATOM 148 CB GLU A 9 67.527 10.622 15.066 1.00 0.00 C ATOM 149 CG GLU A 9 68.769 11.499 14.903 1.00 0.00 C ATOM 150 CD GLU A 9 68.412 12.842 14.263 1.00 0.00 C ATOM 151 OE1 GLU A 9 67.951 12.878 13.112 1.00 0.00 O ATOM 152 OE2 GLU A 9 68.628 13.874 15.006 1.00 0.00 O ATOM 0 H GLU A 9 66.649 9.055 17.361 1.00 0.00 H new ATOM 0 HA GLU A 9 67.159 11.885 16.741 1.00 0.00 H new ATOM 0 HB2 GLU A 9 67.811 9.571 15.018 1.00 0.00 H new ATOM 0 HB3 GLU A 9 66.838 10.804 14.241 1.00 0.00 H new ATOM 0 HG2 GLU A 9 69.230 11.667 15.876 1.00 0.00 H new ATOM 0 HG3 GLU A 9 69.505 10.983 14.287 1.00 0.00 H new ATOM 160 N LYS A 10 64.673 11.804 17.005 1.00 0.00 N ATOM 161 CA LYS A 10 63.229 11.949 16.944 1.00 0.00 C ATOM 162 C LYS A 10 62.591 10.573 16.740 1.00 0.00 C ATOM 163 O LYS A 10 61.532 10.461 16.123 1.00 0.00 O ATOM 164 CB LYS A 10 62.837 12.973 15.877 1.00 0.00 C ATOM 165 CG LYS A 10 63.937 14.020 15.692 1.00 0.00 C ATOM 166 CD LYS A 10 63.516 15.085 14.678 1.00 0.00 C ATOM 167 CE LYS A 10 62.724 14.463 13.526 1.00 0.00 C ATOM 168 NZ LYS A 10 61.310 14.268 13.914 1.00 0.00 N ATOM 0 H LYS A 10 65.133 12.405 17.688 1.00 0.00 H new ATOM 0 HA LYS A 10 62.846 12.343 17.885 1.00 0.00 H new ATOM 0 HB2 LYS A 10 62.651 12.465 14.931 1.00 0.00 H new ATOM 0 HB3 LYS A 10 61.907 13.464 16.163 1.00 0.00 H new ATOM 0 HG2 LYS A 10 64.159 14.492 16.649 1.00 0.00 H new ATOM 0 HG3 LYS A 10 64.853 13.535 15.356 1.00 0.00 H new ATOM 0 HD2 LYS A 10 62.910 15.844 15.173 1.00 0.00 H new ATOM 0 HD3 LYS A 10 64.400 15.589 14.286 1.00 0.00 H new ATOM 0 HE2 LYS A 10 62.781 15.107 12.649 1.00 0.00 H new ATOM 0 HE3 LYS A 10 63.166 13.506 13.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 61.111 13.251 14.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 61.133 14.735 14.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 60.691 14.681 13.188 1.00 0.00 H new ATOM 181 N HIS A 11 63.261 9.561 17.270 1.00 0.00 N ATOM 182 CA HIS A 11 62.773 8.198 17.154 1.00 0.00 C ATOM 183 C HIS A 11 61.569 8.003 18.079 1.00 0.00 C ATOM 184 O HIS A 11 61.727 7.628 19.239 1.00 0.00 O ATOM 185 CB HIS A 11 63.895 7.194 17.424 1.00 0.00 C ATOM 186 CG HIS A 11 64.550 6.654 16.174 1.00 0.00 C ATOM 187 ND1 HIS A 11 65.508 7.359 15.466 1.00 0.00 N ATOM 188 CD2 HIS A 11 64.375 5.473 15.515 1.00 0.00 C ATOM 189 CE1 HIS A 11 65.885 6.625 14.429 1.00 0.00 C ATOM 190 NE2 HIS A 11 65.181 5.457 14.461 1.00 0.00 N ATOM 0 H HIS A 11 64.138 9.658 17.781 1.00 0.00 H new ATOM 0 HA HIS A 11 62.437 8.015 16.133 1.00 0.00 H new ATOM 0 HB2 HIS A 11 64.655 7.671 18.043 1.00 0.00 H new ATOM 0 HB3 HIS A 11 63.492 6.361 18.000 1.00 0.00 H new ATOM 0 HD1 HIS A 11 65.863 8.286 15.702 1.00 0.00 H new ATOM 0 HD2 HIS A 11 63.695 4.684 15.802 1.00 0.00 H new ATOM 0 HE1 HIS A 11 66.620 6.903 13.689 1.00 0.00 H new ATOM 198 N VAL A 12 60.393 8.268 17.529 1.00 0.00 N ATOM 199 CA VAL A 12 59.163 8.127 18.290 1.00 0.00 C ATOM 200 C VAL A 12 58.184 7.247 17.509 1.00 0.00 C ATOM 201 O VAL A 12 57.030 7.093 17.907 1.00 0.00 O ATOM 202 CB VAL A 12 58.592 9.507 18.623 1.00 0.00 C ATOM 203 CG1 VAL A 12 57.591 9.957 17.557 1.00 0.00 C ATOM 204 CG2 VAL A 12 57.954 9.515 20.013 1.00 0.00 C ATOM 0 H VAL A 12 60.266 8.579 16.566 1.00 0.00 H new ATOM 0 HA VAL A 12 59.357 7.633 19.242 1.00 0.00 H new ATOM 0 HB VAL A 12 59.417 10.219 18.630 1.00 0.00 H new ATOM 0 HG11 VAL A 12 57.200 10.941 17.817 1.00 0.00 H new ATOM 0 HG12 VAL A 12 58.089 10.009 16.589 1.00 0.00 H new ATOM 0 HG13 VAL A 12 56.770 9.242 17.504 1.00 0.00 H new ATOM 0 HG21 VAL A 12 57.556 10.507 20.225 1.00 0.00 H new ATOM 0 HG22 VAL A 12 57.145 8.785 20.046 1.00 0.00 H new ATOM 0 HG23 VAL A 12 58.705 9.258 20.760 1.00 0.00 H new ATOM 214 N HIS A 13 58.680 6.694 16.413 1.00 0.00 N ATOM 215 CA HIS A 13 57.864 5.834 15.573 1.00 0.00 C ATOM 216 C HIS A 13 58.205 4.369 15.853 1.00 0.00 C ATOM 217 O HIS A 13 58.771 4.048 16.897 1.00 0.00 O ATOM 218 CB HIS A 13 58.020 6.207 14.098 1.00 0.00 C ATOM 219 CG HIS A 13 57.871 7.684 13.819 1.00 0.00 C ATOM 220 ND1 HIS A 13 58.953 8.517 13.589 1.00 0.00 N ATOM 221 CD2 HIS A 13 56.758 8.467 13.734 1.00 0.00 C ATOM 222 CE1 HIS A 13 58.499 9.743 13.378 1.00 0.00 C ATOM 223 NE2 HIS A 13 57.138 9.710 13.469 1.00 0.00 N ATOM 0 H HIS A 13 59.637 6.825 16.087 1.00 0.00 H new ATOM 0 HA HIS A 13 56.811 5.979 15.814 1.00 0.00 H new ATOM 0 HB2 HIS A 13 59.001 5.880 13.753 1.00 0.00 H new ATOM 0 HB3 HIS A 13 57.278 5.661 13.515 1.00 0.00 H new ATOM 0 HD2 HIS A 13 55.739 8.132 13.861 1.00 0.00 H new ATOM 0 HE1 HIS A 13 59.100 10.616 13.170 1.00 0.00 H new ATOM 0 HE2 HIS A 13 56.515 10.509 13.352 1.00 0.00 H new ATOM 231 N ASN A 14 57.846 3.519 14.902 1.00 0.00 N ATOM 232 CA ASN A 14 58.107 2.095 15.034 1.00 0.00 C ATOM 233 C ASN A 14 57.829 1.661 16.474 1.00 0.00 C ATOM 234 O ASN A 14 58.620 0.931 17.070 1.00 0.00 O ATOM 235 CB ASN A 14 59.569 1.772 14.716 1.00 0.00 C ATOM 236 CG ASN A 14 60.515 2.604 15.584 1.00 0.00 C ATOM 237 OD1 ASN A 14 60.700 3.793 15.381 1.00 0.00 O ATOM 238 ND2 ASN A 14 61.103 1.916 16.558 1.00 0.00 N ATOM 0 H ASN A 14 57.377 3.789 14.037 1.00 0.00 H new ATOM 0 HA ASN A 14 57.460 1.567 14.334 1.00 0.00 H new ATOM 0 HB2 ASN A 14 59.755 0.711 14.882 1.00 0.00 H new ATOM 0 HB3 ASN A 14 59.768 1.969 13.663 1.00 0.00 H new ATOM 0 HD21 ASN A 14 61.753 2.382 17.191 1.00 0.00 H new ATOM 0 HD22 ASN A 14 60.904 0.922 16.673 1.00 0.00 H new ATOM 245 N PHE A 15 56.702 2.128 16.992 1.00 0.00 N ATOM 246 CA PHE A 15 56.309 1.796 18.351 1.00 0.00 C ATOM 247 C PHE A 15 54.864 1.295 18.398 1.00 0.00 C ATOM 248 O PHE A 15 54.576 0.279 19.028 1.00 0.00 O ATOM 249 CB PHE A 15 56.418 3.082 19.174 1.00 0.00 C ATOM 250 CG PHE A 15 57.704 3.188 19.996 1.00 0.00 C ATOM 251 CD1 PHE A 15 57.947 2.298 20.996 1.00 0.00 C ATOM 252 CD2 PHE A 15 58.604 4.171 19.727 1.00 0.00 C ATOM 253 CE1 PHE A 15 59.140 2.397 21.759 1.00 0.00 C ATOM 254 CE2 PHE A 15 59.797 4.269 20.490 1.00 0.00 C ATOM 255 CZ PHE A 15 60.040 3.380 21.490 1.00 0.00 C ATOM 0 H PHE A 15 56.049 2.734 16.495 1.00 0.00 H new ATOM 0 HA PHE A 15 56.951 1.007 18.742 1.00 0.00 H new ATOM 0 HB2 PHE A 15 56.357 3.938 18.502 1.00 0.00 H new ATOM 0 HB3 PHE A 15 55.563 3.144 19.847 1.00 0.00 H new ATOM 0 HD1 PHE A 15 57.233 1.517 21.209 1.00 0.00 H new ATOM 0 HD2 PHE A 15 58.411 4.877 18.933 1.00 0.00 H new ATOM 0 HE1 PHE A 15 59.333 1.691 22.553 1.00 0.00 H new ATOM 0 HE2 PHE A 15 60.512 5.050 20.276 1.00 0.00 H new ATOM 0 HZ PHE A 15 60.948 3.455 22.070 1.00 0.00 H new ATOM 265 N MET A 16 53.994 2.032 17.722 1.00 0.00 N ATOM 266 CA MET A 16 52.587 1.675 17.678 1.00 0.00 C ATOM 267 C MET A 16 52.408 0.158 17.594 1.00 0.00 C ATOM 268 O MET A 16 51.817 -0.452 18.484 1.00 0.00 O ATOM 269 CB MET A 16 51.930 2.335 16.464 1.00 0.00 C ATOM 270 CG MET A 16 51.810 3.847 16.660 1.00 0.00 C ATOM 271 SD MET A 16 50.100 4.298 16.905 1.00 0.00 S ATOM 272 CE MET A 16 50.214 6.068 16.701 1.00 0.00 C ATOM 0 H MET A 16 54.237 2.874 17.201 1.00 0.00 H new ATOM 0 HA MET A 16 52.114 2.027 18.595 1.00 0.00 H new ATOM 0 HB2 MET A 16 52.517 2.126 15.570 1.00 0.00 H new ATOM 0 HB3 MET A 16 50.941 1.906 16.303 1.00 0.00 H new ATOM 0 HG2 MET A 16 52.403 4.159 17.520 1.00 0.00 H new ATOM 0 HG3 MET A 16 52.211 4.368 15.790 1.00 0.00 H new ATOM 0 HE1 MET A 16 49.226 6.513 16.823 1.00 0.00 H new ATOM 0 HE2 MET A 16 50.892 6.478 17.450 1.00 0.00 H new ATOM 0 HE3 MET A 16 50.594 6.296 15.705 1.00 0.00 H new ATOM 282 N MET A 17 52.930 -0.409 16.516 1.00 0.00 N ATOM 283 CA MET A 17 52.835 -1.843 16.304 1.00 0.00 C ATOM 284 C MET A 17 54.225 -2.473 16.190 1.00 0.00 C ATOM 285 O MET A 17 54.565 -3.378 16.951 1.00 0.00 O ATOM 286 CB MET A 17 52.043 -2.119 15.024 1.00 0.00 C ATOM 287 CG MET A 17 50.637 -1.522 15.110 1.00 0.00 C ATOM 288 SD MET A 17 49.430 -2.722 14.573 1.00 0.00 S ATOM 289 CE MET A 17 48.803 -3.261 16.155 1.00 0.00 C ATOM 0 H MET A 17 53.420 0.099 15.780 1.00 0.00 H new ATOM 0 HA MET A 17 52.325 -2.285 17.160 1.00 0.00 H new ATOM 0 HB2 MET A 17 52.570 -1.697 14.168 1.00 0.00 H new ATOM 0 HB3 MET A 17 51.976 -3.194 14.858 1.00 0.00 H new ATOM 0 HG2 MET A 17 50.426 -1.215 16.134 1.00 0.00 H new ATOM 0 HG3 MET A 17 50.574 -0.628 14.490 1.00 0.00 H new ATOM 0 HE1 MET A 17 48.033 -4.018 16.003 1.00 0.00 H new ATOM 0 HE2 MET A 17 49.617 -3.685 16.744 1.00 0.00 H new ATOM 0 HE3 MET A 17 48.376 -2.410 16.686 1.00 0.00 H new ATOM 299 N ASP A 18 54.991 -1.970 15.233 1.00 0.00 N ATOM 300 CA ASP A 18 56.336 -2.473 15.010 1.00 0.00 C ATOM 301 C ASP A 18 56.258 -3.858 14.366 1.00 0.00 C ATOM 302 O ASP A 18 55.665 -4.776 14.931 1.00 0.00 O ATOM 303 CB ASP A 18 57.100 -2.606 16.328 1.00 0.00 C ATOM 304 CG ASP A 18 58.612 -2.393 16.224 1.00 0.00 C ATOM 305 OD1 ASP A 18 59.407 -3.240 16.655 1.00 0.00 O ATOM 306 OD2 ASP A 18 58.969 -1.286 15.666 1.00 0.00 O ATOM 0 H ASP A 18 54.706 -1.220 14.603 1.00 0.00 H new ATOM 0 HA ASP A 18 56.856 -1.768 14.362 1.00 0.00 H new ATOM 0 HB2 ASP A 18 56.695 -1.886 17.039 1.00 0.00 H new ATOM 0 HB3 ASP A 18 56.916 -3.599 16.739 1.00 0.00 H new ATOM 312 N THR A 19 56.865 -3.966 13.194 1.00 0.00 N ATOM 313 CA THR A 19 56.872 -5.225 12.468 1.00 0.00 C ATOM 314 C THR A 19 55.527 -5.937 12.622 1.00 0.00 C ATOM 315 O THR A 19 55.474 -7.083 13.066 1.00 0.00 O ATOM 316 CB THR A 19 58.058 -6.053 12.966 1.00 0.00 C ATOM 317 OG1 THR A 19 57.592 -6.630 14.183 1.00 0.00 O ATOM 318 CG2 THR A 19 59.240 -5.181 13.396 1.00 0.00 C ATOM 0 H THR A 19 57.356 -3.202 12.729 1.00 0.00 H new ATOM 0 HA THR A 19 56.998 -5.063 11.398 1.00 0.00 H new ATOM 0 HB THR A 19 58.378 -6.738 12.181 1.00 0.00 H new ATOM 0 HG1 THR A 19 56.939 -7.333 13.983 1.00 0.00 H new ATOM 0 HG21 THR A 19 60.055 -5.817 13.741 1.00 0.00 H new ATOM 0 HG22 THR A 19 59.579 -4.584 12.549 1.00 0.00 H new ATOM 0 HG23 THR A 19 58.929 -4.520 14.205 1.00 0.00 H new ATOM 326 N GLN A 20 54.472 -5.228 12.247 1.00 0.00 N ATOM 327 CA GLN A 20 53.130 -5.778 12.339 1.00 0.00 C ATOM 328 C GLN A 20 52.133 -4.866 11.621 1.00 0.00 C ATOM 329 O GLN A 20 51.239 -5.344 10.924 1.00 0.00 O ATOM 330 CB GLN A 20 52.724 -5.994 13.798 1.00 0.00 C ATOM 331 CG GLN A 20 51.701 -7.125 13.921 1.00 0.00 C ATOM 332 CD GLN A 20 51.912 -7.917 15.213 1.00 0.00 C ATOM 333 OE1 GLN A 20 52.949 -7.849 15.851 1.00 0.00 O ATOM 334 NE2 GLN A 20 50.872 -8.670 15.562 1.00 0.00 N ATOM 0 H GLN A 20 54.519 -4.278 11.879 1.00 0.00 H new ATOM 0 HA GLN A 20 53.122 -6.751 11.847 1.00 0.00 H new ATOM 0 HB2 GLN A 20 53.606 -6.230 14.393 1.00 0.00 H new ATOM 0 HB3 GLN A 20 52.304 -5.073 14.202 1.00 0.00 H new ATOM 0 HG2 GLN A 20 50.693 -6.711 13.904 1.00 0.00 H new ATOM 0 HG3 GLN A 20 51.786 -7.792 13.063 1.00 0.00 H new ATOM 0 HE21 GLN A 20 50.033 -8.681 14.982 1.00 0.00 H new ATOM 0 HE22 GLN A 20 50.914 -9.236 16.409 1.00 0.00 H new ATOM 343 N LEU A 21 52.319 -3.569 11.817 1.00 0.00 N ATOM 344 CA LEU A 21 51.447 -2.586 11.197 1.00 0.00 C ATOM 345 C LEU A 21 51.234 -2.953 9.728 1.00 0.00 C ATOM 346 O LEU A 21 50.099 -3.119 9.283 1.00 0.00 O ATOM 347 CB LEU A 21 51.999 -1.174 11.405 1.00 0.00 C ATOM 348 CG LEU A 21 53.467 -0.965 11.026 1.00 0.00 C ATOM 349 CD1 LEU A 21 53.590 -0.279 9.664 1.00 0.00 C ATOM 350 CD2 LEU A 21 54.212 -0.201 12.122 1.00 0.00 C ATOM 0 H LEU A 21 53.061 -3.176 12.396 1.00 0.00 H new ATOM 0 HA LEU A 21 50.466 -2.593 11.672 1.00 0.00 H new ATOM 0 HB2 LEU A 21 51.392 -0.479 10.825 1.00 0.00 H new ATOM 0 HB3 LEU A 21 51.874 -0.907 12.454 1.00 0.00 H new ATOM 0 HG LEU A 21 53.939 -1.943 10.937 1.00 0.00 H new ATOM 0 HD11 LEU A 21 54.643 -0.143 9.419 1.00 0.00 H new ATOM 0 HD12 LEU A 21 53.117 -0.897 8.901 1.00 0.00 H new ATOM 0 HD13 LEU A 21 53.097 0.693 9.700 1.00 0.00 H new ATOM 0 HD21 LEU A 21 55.253 -0.066 11.828 1.00 0.00 H new ATOM 0 HD22 LEU A 21 53.746 0.774 12.267 1.00 0.00 H new ATOM 0 HD23 LEU A 21 54.168 -0.766 13.053 1.00 0.00 H new ATOM 362 N THR A 22 52.344 -3.070 9.013 1.00 0.00 N ATOM 363 CA THR A 22 52.294 -3.415 7.603 1.00 0.00 C ATOM 364 C THR A 22 51.144 -2.677 6.914 1.00 0.00 C ATOM 365 O THR A 22 50.586 -3.167 5.933 1.00 0.00 O ATOM 366 CB THR A 22 52.191 -4.938 7.492 1.00 0.00 C ATOM 367 OG1 THR A 22 52.362 -5.197 6.101 1.00 0.00 O ATOM 368 CG2 THR A 22 50.784 -5.454 7.797 1.00 0.00 C ATOM 0 H THR A 22 53.284 -2.932 9.385 1.00 0.00 H new ATOM 0 HA THR A 22 53.199 -3.097 7.086 1.00 0.00 H new ATOM 0 HB THR A 22 52.903 -5.400 8.176 1.00 0.00 H new ATOM 0 HG1 THR A 22 51.702 -4.685 5.589 1.00 0.00 H new ATOM 0 HG21 THR A 22 50.767 -6.540 7.704 1.00 0.00 H new ATOM 0 HG22 THR A 22 50.505 -5.172 8.812 1.00 0.00 H new ATOM 0 HG23 THR A 22 50.076 -5.018 7.092 1.00 0.00 H new ATOM 376 N LYS A 23 50.823 -1.511 7.455 1.00 0.00 N ATOM 377 CA LYS A 23 49.750 -0.701 6.905 1.00 0.00 C ATOM 378 C LYS A 23 50.116 0.779 7.035 1.00 0.00 C ATOM 379 O LYS A 23 50.978 1.141 7.835 1.00 0.00 O ATOM 380 CB LYS A 23 48.415 -1.063 7.560 1.00 0.00 C ATOM 381 CG LYS A 23 48.279 -0.401 8.932 1.00 0.00 C ATOM 382 CD LYS A 23 48.015 -1.443 10.021 1.00 0.00 C ATOM 383 CE LYS A 23 46.975 -0.938 11.023 1.00 0.00 C ATOM 384 NZ LYS A 23 47.631 -0.508 12.278 1.00 0.00 N ATOM 0 H LYS A 23 51.287 -1.108 8.269 1.00 0.00 H new ATOM 0 HA LYS A 23 49.624 -0.907 5.842 1.00 0.00 H new ATOM 0 HB2 LYS A 23 47.593 -0.747 6.917 1.00 0.00 H new ATOM 0 HB3 LYS A 23 48.340 -2.145 7.666 1.00 0.00 H new ATOM 0 HG2 LYS A 23 49.190 0.151 9.165 1.00 0.00 H new ATOM 0 HG3 LYS A 23 47.464 0.323 8.911 1.00 0.00 H new ATOM 0 HD2 LYS A 23 47.666 -2.370 9.565 1.00 0.00 H new ATOM 0 HD3 LYS A 23 48.945 -1.674 10.541 1.00 0.00 H new ATOM 0 HE2 LYS A 23 46.420 -0.105 10.592 1.00 0.00 H new ATOM 0 HE3 LYS A 23 46.253 -1.726 11.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 46.923 -0.090 12.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 48.069 -1.330 12.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 48.363 0.199 12.063 1.00 0.00 H new ATOM 397 N ARG A 24 49.443 1.595 6.237 1.00 0.00 N ATOM 398 CA ARG A 24 49.687 3.027 6.252 1.00 0.00 C ATOM 399 C ARG A 24 48.362 3.791 6.292 1.00 0.00 C ATOM 400 O ARG A 24 47.330 3.273 5.867 1.00 0.00 O ATOM 401 CB ARG A 24 50.483 3.464 5.021 1.00 0.00 C ATOM 402 CG ARG A 24 49.631 3.364 3.754 1.00 0.00 C ATOM 403 CD ARG A 24 50.244 2.379 2.756 1.00 0.00 C ATOM 404 NE ARG A 24 50.829 3.115 1.613 1.00 0.00 N ATOM 405 CZ ARG A 24 51.720 2.586 0.749 1.00 0.00 C ATOM 406 NH1 ARG A 24 52.138 1.310 0.891 1.00 0.00 N ATOM 407 NH2 ARG A 24 52.178 3.334 -0.238 1.00 0.00 N ATOM 0 H ARG A 24 48.728 1.291 5.576 1.00 0.00 H new ATOM 0 HA ARG A 24 50.269 3.254 7.145 1.00 0.00 H new ATOM 0 HB2 ARG A 24 50.828 4.490 5.152 1.00 0.00 H new ATOM 0 HB3 ARG A 24 51.371 2.840 4.917 1.00 0.00 H new ATOM 0 HG2 ARG A 24 48.622 3.043 4.014 1.00 0.00 H new ATOM 0 HG3 ARG A 24 49.543 4.347 3.292 1.00 0.00 H new ATOM 0 HD2 ARG A 24 51.013 1.782 3.247 1.00 0.00 H new ATOM 0 HD3 ARG A 24 49.481 1.686 2.401 1.00 0.00 H new ATOM 0 HE ARG A 24 50.540 4.083 1.469 1.00 0.00 H new ATOM 0 HH11 ARG A 24 51.780 0.738 1.656 1.00 0.00 H new ATOM 0 HH12 ARG A 24 52.812 0.918 0.233 1.00 0.00 H new ATOM 0 HH21 ARG A 24 51.858 4.297 -0.339 1.00 0.00 H new ATOM 0 HH22 ARG A 24 52.852 2.949 -0.899 1.00 0.00 H new ATOM 420 N VAL A 25 48.434 5.010 6.807 1.00 0.00 N ATOM 421 CA VAL A 25 47.252 5.850 6.907 1.00 0.00 C ATOM 422 C VAL A 25 46.053 4.990 7.312 1.00 0.00 C ATOM 423 O VAL A 25 45.136 4.785 6.518 1.00 0.00 O ATOM 424 CB VAL A 25 47.032 6.603 5.594 1.00 0.00 C ATOM 425 CG1 VAL A 25 46.983 5.636 4.409 1.00 0.00 C ATOM 426 CG2 VAL A 25 45.764 7.457 5.657 1.00 0.00 C ATOM 0 H VAL A 25 49.291 5.436 7.159 1.00 0.00 H new ATOM 0 HA VAL A 25 47.385 6.606 7.681 1.00 0.00 H new ATOM 0 HB VAL A 25 47.880 7.272 5.446 1.00 0.00 H new ATOM 0 HG11 VAL A 25 46.826 6.197 3.488 1.00 0.00 H new ATOM 0 HG12 VAL A 25 47.925 5.091 4.345 1.00 0.00 H new ATOM 0 HG13 VAL A 25 46.164 4.931 4.549 1.00 0.00 H new ATOM 0 HG21 VAL A 25 45.631 7.982 4.711 1.00 0.00 H new ATOM 0 HG22 VAL A 25 44.902 6.816 5.840 1.00 0.00 H new ATOM 0 HG23 VAL A 25 45.854 8.183 6.465 1.00 0.00 H new ATOM 436 N LYS A 26 46.099 4.510 8.546 1.00 0.00 N ATOM 437 CA LYS A 26 45.028 3.677 9.065 1.00 0.00 C ATOM 438 C LYS A 26 45.090 2.301 8.399 1.00 0.00 C ATOM 439 O LYS A 26 45.361 1.299 9.060 1.00 0.00 O ATOM 440 CB LYS A 26 43.678 4.378 8.904 1.00 0.00 C ATOM 441 CG LYS A 26 43.711 5.779 9.519 1.00 0.00 C ATOM 442 CD LYS A 26 43.888 6.848 8.438 1.00 0.00 C ATOM 443 CE LYS A 26 43.163 8.139 8.821 1.00 0.00 C ATOM 444 NZ LYS A 26 41.863 8.232 8.120 1.00 0.00 N ATOM 0 H LYS A 26 46.861 4.682 9.201 1.00 0.00 H new ATOM 0 HA LYS A 26 45.153 3.519 10.136 1.00 0.00 H new ATOM 0 HB2 LYS A 26 43.424 4.447 7.846 1.00 0.00 H new ATOM 0 HB3 LYS A 26 42.897 3.786 9.381 1.00 0.00 H new ATOM 0 HG2 LYS A 26 42.787 5.961 10.068 1.00 0.00 H new ATOM 0 HG3 LYS A 26 44.527 5.845 10.238 1.00 0.00 H new ATOM 0 HD2 LYS A 26 44.949 7.052 8.293 1.00 0.00 H new ATOM 0 HD3 LYS A 26 43.502 6.478 7.488 1.00 0.00 H new ATOM 0 HE2 LYS A 26 43.004 8.168 9.899 1.00 0.00 H new ATOM 0 HE3 LYS A 26 43.782 9.000 8.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 41.808 9.136 7.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 41.776 7.446 7.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 41.090 8.179 8.814 1.00 0.00 H new ATOM 457 N ASN A 27 44.833 2.296 7.100 1.00 0.00 N ATOM 458 CA ASN A 27 44.855 1.059 6.337 1.00 0.00 C ATOM 459 C ASN A 27 44.766 1.383 4.845 1.00 0.00 C ATOM 460 O ASN A 27 44.116 0.664 4.087 1.00 0.00 O ATOM 461 CB ASN A 27 43.666 0.167 6.699 1.00 0.00 C ATOM 462 CG ASN A 27 43.924 -0.589 8.004 1.00 0.00 C ATOM 463 OD1 ASN A 27 44.918 -1.277 8.166 1.00 0.00 O ATOM 464 ND2 ASN A 27 42.976 -0.423 8.922 1.00 0.00 N ATOM 0 H ASN A 27 44.608 3.129 6.556 1.00 0.00 H new ATOM 0 HA ASN A 27 45.782 0.536 6.570 1.00 0.00 H new ATOM 0 HB2 ASN A 27 42.767 0.776 6.799 1.00 0.00 H new ATOM 0 HB3 ASN A 27 43.482 -0.544 5.893 1.00 0.00 H new ATOM 0 HD21 ASN A 27 43.056 -0.886 9.827 1.00 0.00 H new ATOM 0 HD22 ASN A 27 42.169 0.167 8.721 1.00 0.00 H new ATOM 471 N ALA A 28 45.429 2.466 4.467 1.00 0.00 N ATOM 472 CA ALA A 28 45.433 2.895 3.078 1.00 0.00 C ATOM 473 C ALA A 28 44.159 3.692 2.791 1.00 0.00 C ATOM 474 O ALA A 28 44.027 4.297 1.729 1.00 0.00 O ATOM 475 CB ALA A 28 45.575 1.674 2.167 1.00 0.00 C ATOM 0 H ALA A 28 45.967 3.060 5.098 1.00 0.00 H new ATOM 0 HA ALA A 28 46.282 3.549 2.881 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.578 1.995 1.125 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.510 1.160 2.391 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.739 0.996 2.335 1.00 0.00 H new ATOM 481 N ALA A 29 43.252 3.665 3.757 1.00 0.00 N ATOM 482 CA ALA A 29 41.993 4.378 3.622 1.00 0.00 C ATOM 483 C ALA A 29 41.175 4.207 4.904 1.00 0.00 C ATOM 484 O ALA A 29 40.669 5.183 5.455 1.00 0.00 O ATOM 485 CB ALA A 29 41.250 3.870 2.385 1.00 0.00 C ATOM 0 H ALA A 29 43.364 3.160 4.636 1.00 0.00 H new ATOM 0 HA ALA A 29 42.169 5.445 3.483 1.00 0.00 H new ATOM 0 HB1 ALA A 29 40.305 4.404 2.283 1.00 0.00 H new ATOM 0 HB2 ALA A 29 41.861 4.040 1.498 1.00 0.00 H new ATOM 0 HB3 ALA A 29 41.054 2.803 2.491 1.00 0.00 H new ATOM 491 N ALA A 30 41.072 2.961 5.341 1.00 0.00 N ATOM 492 CA ALA A 30 40.325 2.650 6.548 1.00 0.00 C ATOM 493 C ALA A 30 38.850 2.996 6.332 1.00 0.00 C ATOM 494 O ALA A 30 38.038 2.118 6.045 1.00 0.00 O ATOM 495 CB ALA A 30 40.933 3.403 7.733 1.00 0.00 C ATOM 0 H ALA A 30 41.494 2.154 4.881 1.00 0.00 H new ATOM 0 HA ALA A 30 40.385 1.585 6.773 1.00 0.00 H new ATOM 0 HB1 ALA A 30 40.373 3.170 8.638 1.00 0.00 H new ATOM 0 HB2 ALA A 30 41.972 3.101 7.861 1.00 0.00 H new ATOM 0 HB3 ALA A 30 40.888 4.476 7.544 1.00 0.00 H new ATOM 501 N ASN A 31 38.548 4.278 6.478 1.00 0.00 N ATOM 502 CA ASN A 31 37.186 4.751 6.303 1.00 0.00 C ATOM 503 C ASN A 31 37.203 6.068 5.525 1.00 0.00 C ATOM 504 O ASN A 31 36.198 6.775 5.471 1.00 0.00 O ATOM 505 CB ASN A 31 36.514 5.009 7.654 1.00 0.00 C ATOM 506 CG ASN A 31 36.407 3.718 8.469 1.00 0.00 C ATOM 507 OD1 ASN A 31 36.479 2.617 7.948 1.00 0.00 O ATOM 508 ND2 ASN A 31 36.233 3.915 9.772 1.00 0.00 N ATOM 0 H ASN A 31 39.224 5.004 6.716 1.00 0.00 H new ATOM 0 HA ASN A 31 36.630 3.984 5.764 1.00 0.00 H new ATOM 0 HB2 ASN A 31 37.086 5.750 8.213 1.00 0.00 H new ATOM 0 HB3 ASN A 31 35.520 5.427 7.496 1.00 0.00 H new ATOM 0 HD21 ASN A 31 36.151 3.117 10.402 1.00 0.00 H new ATOM 0 HD22 ASN A 31 36.182 4.864 10.142 1.00 0.00 H new ATOM 515 N VAL A 32 38.357 6.358 4.941 1.00 0.00 N ATOM 516 CA VAL A 32 38.519 7.577 4.168 1.00 0.00 C ATOM 517 C VAL A 32 38.389 8.786 5.097 1.00 0.00 C ATOM 518 O VAL A 32 38.316 9.923 4.635 1.00 0.00 O ATOM 519 CB VAL A 32 37.517 7.601 3.012 1.00 0.00 C ATOM 520 CG1 VAL A 32 36.946 6.205 2.752 1.00 0.00 C ATOM 521 CG2 VAL A 32 36.398 8.610 3.277 1.00 0.00 C ATOM 0 H VAL A 32 39.189 5.769 4.988 1.00 0.00 H new ATOM 0 HA VAL A 32 39.512 7.616 3.720 1.00 0.00 H new ATOM 0 HB VAL A 32 38.049 7.918 2.115 1.00 0.00 H new ATOM 0 HG11 VAL A 32 36.237 6.250 1.926 1.00 0.00 H new ATOM 0 HG12 VAL A 32 37.756 5.522 2.498 1.00 0.00 H new ATOM 0 HG13 VAL A 32 36.438 5.847 3.647 1.00 0.00 H new ATOM 0 HG21 VAL A 32 35.700 8.607 2.440 1.00 0.00 H new ATOM 0 HG22 VAL A 32 35.870 8.337 4.191 1.00 0.00 H new ATOM 0 HG23 VAL A 32 36.826 9.606 3.389 1.00 0.00 H new ATOM 531 N LEU A 33 38.364 8.498 6.390 1.00 0.00 N ATOM 532 CA LEU A 33 38.244 9.547 7.388 1.00 0.00 C ATOM 533 C LEU A 33 36.773 9.945 7.529 1.00 0.00 C ATOM 534 O LEU A 33 36.252 10.028 8.640 1.00 0.00 O ATOM 535 CB LEU A 33 39.168 10.718 7.048 1.00 0.00 C ATOM 536 CG LEU A 33 39.556 11.627 8.216 1.00 0.00 C ATOM 537 CD1 LEU A 33 40.898 11.204 8.817 1.00 0.00 C ATOM 538 CD2 LEU A 33 39.557 13.097 7.790 1.00 0.00 C ATOM 0 H LEU A 33 38.425 7.553 6.769 1.00 0.00 H new ATOM 0 HA LEU A 33 38.572 9.185 8.363 1.00 0.00 H new ATOM 0 HB2 LEU A 33 40.081 10.318 6.606 1.00 0.00 H new ATOM 0 HB3 LEU A 33 38.684 11.327 6.285 1.00 0.00 H new ATOM 0 HG LEU A 33 38.804 11.519 8.998 1.00 0.00 H new ATOM 0 HD11 LEU A 33 41.151 11.866 9.645 1.00 0.00 H new ATOM 0 HD12 LEU A 33 40.827 10.179 9.181 1.00 0.00 H new ATOM 0 HD13 LEU A 33 41.674 11.265 8.054 1.00 0.00 H new ATOM 0 HD21 LEU A 33 39.836 13.722 8.639 1.00 0.00 H new ATOM 0 HD22 LEU A 33 40.274 13.241 6.982 1.00 0.00 H new ATOM 0 HD23 LEU A 33 38.561 13.377 7.446 1.00 0.00 H new ATOM 550 N ARG A 34 36.145 10.181 6.386 1.00 0.00 N ATOM 551 CA ARG A 34 34.745 10.569 6.369 1.00 0.00 C ATOM 552 C ARG A 34 33.871 9.427 6.892 1.00 0.00 C ATOM 553 O ARG A 34 32.938 9.656 7.660 1.00 0.00 O ATOM 554 CB ARG A 34 34.294 10.940 4.954 1.00 0.00 C ATOM 555 CG ARG A 34 35.112 12.111 4.408 1.00 0.00 C ATOM 556 CD ARG A 34 34.475 13.450 4.788 1.00 0.00 C ATOM 557 NE ARG A 34 35.110 14.547 4.025 1.00 0.00 N ATOM 558 CZ ARG A 34 35.098 15.841 4.409 1.00 0.00 C ATOM 559 NH1 ARG A 34 34.482 16.212 5.551 1.00 0.00 N ATOM 560 NH2 ARG A 34 35.697 16.740 3.649 1.00 0.00 N ATOM 0 H ARG A 34 36.580 10.111 5.466 1.00 0.00 H new ATOM 0 HA ARG A 34 34.634 11.440 7.014 1.00 0.00 H new ATOM 0 HB2 ARG A 34 34.402 10.078 4.296 1.00 0.00 H new ATOM 0 HB3 ARG A 34 33.236 11.203 4.963 1.00 0.00 H new ATOM 0 HG2 ARG A 34 36.128 12.063 4.800 1.00 0.00 H new ATOM 0 HG3 ARG A 34 35.185 12.034 3.323 1.00 0.00 H new ATOM 0 HD2 ARG A 34 33.405 13.425 4.582 1.00 0.00 H new ATOM 0 HD3 ARG A 34 34.590 13.626 5.858 1.00 0.00 H new ATOM 0 HE ARG A 34 35.587 14.311 3.155 1.00 0.00 H new ATOM 0 HH11 ARG A 34 34.020 15.512 6.132 1.00 0.00 H new ATOM 0 HH12 ARG A 34 34.478 17.192 5.833 1.00 0.00 H new ATOM 0 HH21 ARG A 34 36.159 16.452 2.787 1.00 0.00 H new ATOM 0 HH22 ARG A 34 35.697 17.722 3.925 1.00 0.00 H new ATOM 573 N GLU A 35 34.205 8.221 6.455 1.00 0.00 N ATOM 574 CA GLU A 35 33.463 7.043 6.870 1.00 0.00 C ATOM 575 C GLU A 35 31.985 7.190 6.501 1.00 0.00 C ATOM 576 O GLU A 35 31.110 6.741 7.240 1.00 0.00 O ATOM 577 CB GLU A 35 33.631 6.788 8.369 1.00 0.00 C ATOM 578 CG GLU A 35 34.986 7.301 8.863 1.00 0.00 C ATOM 579 CD GLU A 35 34.806 8.376 9.938 1.00 0.00 C ATOM 580 OE1 GLU A 35 34.180 9.414 9.677 1.00 0.00 O ATOM 581 OE2 GLU A 35 35.343 8.102 11.078 1.00 0.00 O ATOM 0 H GLU A 35 34.979 8.035 5.818 1.00 0.00 H new ATOM 0 HA GLU A 35 33.866 6.179 6.341 1.00 0.00 H new ATOM 0 HB2 GLU A 35 32.829 7.282 8.918 1.00 0.00 H new ATOM 0 HB3 GLU A 35 33.546 5.720 8.572 1.00 0.00 H new ATOM 0 HG2 GLU A 35 35.568 6.472 9.266 1.00 0.00 H new ATOM 0 HG3 GLU A 35 35.552 7.710 8.026 1.00 0.00 H new ATOM 589 N THR A 36 31.753 7.819 5.359 1.00 0.00 N ATOM 590 CA THR A 36 30.396 8.031 4.884 1.00 0.00 C ATOM 591 C THR A 36 29.808 6.723 4.350 1.00 0.00 C ATOM 592 O THR A 36 28.591 6.546 4.335 1.00 0.00 O ATOM 593 CB THR A 36 30.429 9.151 3.843 1.00 0.00 C ATOM 594 OG1 THR A 36 31.542 8.824 3.015 1.00 0.00 O ATOM 595 CG2 THR A 36 30.802 10.505 4.451 1.00 0.00 C ATOM 0 H THR A 36 32.481 8.189 4.748 1.00 0.00 H new ATOM 0 HA THR A 36 29.737 8.341 5.695 1.00 0.00 H new ATOM 0 HB THR A 36 29.455 9.226 3.360 1.00 0.00 H new ATOM 0 HG1 THR A 36 31.325 8.039 2.470 1.00 0.00 H new ATOM 0 HG21 THR A 36 30.811 11.265 3.669 1.00 0.00 H new ATOM 0 HG22 THR A 36 30.070 10.776 5.212 1.00 0.00 H new ATOM 0 HG23 THR A 36 31.791 10.440 4.905 1.00 0.00 H new ATOM 603 N TRP A 37 30.700 5.840 3.926 1.00 0.00 N ATOM 604 CA TRP A 37 30.285 4.554 3.393 1.00 0.00 C ATOM 605 C TRP A 37 30.302 3.539 4.538 1.00 0.00 C ATOM 606 O TRP A 37 29.904 2.389 4.360 1.00 0.00 O ATOM 607 CB TRP A 37 31.166 4.139 2.213 1.00 0.00 C ATOM 608 CG TRP A 37 32.135 5.227 1.747 1.00 0.00 C ATOM 609 CD1 TRP A 37 33.410 5.410 2.118 1.00 0.00 C ATOM 610 CD2 TRP A 37 31.854 6.281 0.802 1.00 0.00 C ATOM 611 NE1 TRP A 37 33.969 6.501 1.484 1.00 0.00 N ATOM 612 CE2 TRP A 37 32.993 7.048 0.658 1.00 0.00 C ATOM 613 CE3 TRP A 37 30.677 6.578 0.093 1.00 0.00 C ATOM 614 CZ2 TRP A 37 33.066 8.160 -0.189 1.00 0.00 C ATOM 615 CZ3 TRP A 37 30.767 7.692 -0.749 1.00 0.00 C ATOM 616 CH2 TRP A 37 31.905 8.474 -0.905 1.00 0.00 C ATOM 0 H TRP A 37 31.709 5.990 3.941 1.00 0.00 H new ATOM 0 HA TRP A 37 29.272 4.611 2.994 1.00 0.00 H new ATOM 0 HB2 TRP A 37 31.737 3.254 2.493 1.00 0.00 H new ATOM 0 HB3 TRP A 37 30.526 3.855 1.378 1.00 0.00 H new ATOM 0 HD1 TRP A 37 33.934 4.783 2.824 1.00 0.00 H new ATOM 0 HE1 TRP A 37 34.923 6.843 1.600 1.00 0.00 H new ATOM 0 HE3 TRP A 37 29.775 5.993 0.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 33.969 8.744 -0.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 29.890 7.963 -1.318 1.00 0.00 H new ATOM 0 HH2 TRP A 37 31.894 9.320 -1.576 1.00 0.00 H new ATOM 627 N LEU A 38 30.769 4.002 5.689 1.00 0.00 N ATOM 628 CA LEU A 38 30.844 3.150 6.863 1.00 0.00 C ATOM 629 C LEU A 38 29.575 3.328 7.699 1.00 0.00 C ATOM 630 O LEU A 38 29.186 2.429 8.443 1.00 0.00 O ATOM 631 CB LEU A 38 32.134 3.419 7.639 1.00 0.00 C ATOM 632 CG LEU A 38 33.431 2.975 6.960 1.00 0.00 C ATOM 633 CD1 LEU A 38 33.355 1.506 6.540 1.00 0.00 C ATOM 634 CD2 LEU A 38 33.775 3.891 5.783 1.00 0.00 C ATOM 0 H LEU A 38 31.099 4.956 5.833 1.00 0.00 H new ATOM 0 HA LEU A 38 30.889 2.101 6.570 1.00 0.00 H new ATOM 0 HB2 LEU A 38 32.199 4.489 7.837 1.00 0.00 H new ATOM 0 HB3 LEU A 38 32.064 2.920 8.605 1.00 0.00 H new ATOM 0 HG LEU A 38 34.242 3.061 7.683 1.00 0.00 H new ATOM 0 HD11 LEU A 38 34.290 1.216 6.060 1.00 0.00 H new ATOM 0 HD12 LEU A 38 33.191 0.884 7.420 1.00 0.00 H new ATOM 0 HD13 LEU A 38 32.530 1.370 5.840 1.00 0.00 H new ATOM 0 HD21 LEU A 38 34.701 3.553 5.318 1.00 0.00 H new ATOM 0 HD22 LEU A 38 32.969 3.860 5.050 1.00 0.00 H new ATOM 0 HD23 LEU A 38 33.900 4.913 6.142 1.00 0.00 H new ATOM 646 N ILE A 39 28.963 4.493 7.548 1.00 0.00 N ATOM 647 CA ILE A 39 27.746 4.801 8.279 1.00 0.00 C ATOM 648 C ILE A 39 26.550 4.184 7.552 1.00 0.00 C ATOM 649 O ILE A 39 25.597 3.734 8.187 1.00 0.00 O ATOM 650 CB ILE A 39 27.620 6.309 8.501 1.00 0.00 C ATOM 651 CG1 ILE A 39 27.900 7.079 7.208 1.00 0.00 C ATOM 652 CG2 ILE A 39 28.520 6.772 9.649 1.00 0.00 C ATOM 653 CD1 ILE A 39 27.332 8.498 7.281 1.00 0.00 C ATOM 0 H ILE A 39 29.288 5.236 6.929 1.00 0.00 H new ATOM 0 HA ILE A 39 27.778 4.358 9.275 1.00 0.00 H new ATOM 0 HB ILE A 39 26.592 6.526 8.790 1.00 0.00 H new ATOM 0 HG12 ILE A 39 28.975 7.122 7.032 1.00 0.00 H new ATOM 0 HG13 ILE A 39 27.459 6.550 6.363 1.00 0.00 H new ATOM 0 HG21 ILE A 39 28.411 7.848 9.785 1.00 0.00 H new ATOM 0 HG22 ILE A 39 28.232 6.259 10.567 1.00 0.00 H new ATOM 0 HG23 ILE A 39 29.559 6.539 9.414 1.00 0.00 H new ATOM 0 HD11 ILE A 39 27.545 9.023 6.350 1.00 0.00 H new ATOM 0 HD12 ILE A 39 26.254 8.451 7.433 1.00 0.00 H new ATOM 0 HD13 ILE A 39 27.793 9.032 8.112 1.00 0.00 H new ATOM 665 N TYR A 40 26.637 4.184 6.230 1.00 0.00 N ATOM 666 CA TYR A 40 25.574 3.631 5.409 1.00 0.00 C ATOM 667 C TYR A 40 24.237 4.310 5.713 1.00 0.00 C ATOM 668 O TYR A 40 23.654 4.094 6.774 1.00 0.00 O ATOM 669 CB TYR A 40 25.478 2.151 5.785 1.00 0.00 C ATOM 670 CG TYR A 40 26.066 1.203 4.739 1.00 0.00 C ATOM 671 CD1 TYR A 40 25.718 1.339 3.410 1.00 0.00 C ATOM 672 CD2 TYR A 40 26.946 0.211 5.123 1.00 0.00 C ATOM 673 CE1 TYR A 40 26.272 0.447 2.425 1.00 0.00 C ATOM 674 CE2 TYR A 40 27.500 -0.681 4.138 1.00 0.00 C ATOM 675 CZ TYR A 40 27.136 -0.519 2.838 1.00 0.00 C ATOM 676 OH TYR A 40 27.659 -1.362 1.907 1.00 0.00 O ATOM 0 H TYR A 40 27.428 4.559 5.707 1.00 0.00 H new ATOM 0 HA TYR A 40 25.789 3.781 4.351 1.00 0.00 H new ATOM 0 HB2 TYR A 40 25.993 1.994 6.733 1.00 0.00 H new ATOM 0 HB3 TYR A 40 24.431 1.895 5.945 1.00 0.00 H new ATOM 0 HD1 TYR A 40 25.030 2.115 3.109 1.00 0.00 H new ATOM 0 HD2 TYR A 40 27.219 0.104 6.162 1.00 0.00 H new ATOM 0 HE1 TYR A 40 26.008 0.543 1.382 1.00 0.00 H new ATOM 0 HE2 TYR A 40 28.189 -1.461 4.425 1.00 0.00 H new ATOM 0 HH TYR A 40 28.261 -2.000 2.345 1.00 0.00 H new ATOM 686 N LYS A 41 23.791 5.117 4.762 1.00 0.00 N ATOM 687 CA LYS A 41 22.533 5.829 4.914 1.00 0.00 C ATOM 688 C LYS A 41 21.452 4.852 5.379 1.00 0.00 C ATOM 689 O LYS A 41 20.487 5.252 6.029 1.00 0.00 O ATOM 690 CB LYS A 41 22.178 6.572 3.624 1.00 0.00 C ATOM 691 CG LYS A 41 22.356 5.666 2.404 1.00 0.00 C ATOM 692 CD LYS A 41 23.297 6.304 1.380 1.00 0.00 C ATOM 693 CE LYS A 41 23.306 5.509 0.073 1.00 0.00 C ATOM 694 NZ LYS A 41 24.593 4.799 -0.093 1.00 0.00 N ATOM 0 H LYS A 41 24.278 5.294 3.883 1.00 0.00 H new ATOM 0 HA LYS A 41 22.620 6.597 5.682 1.00 0.00 H new ATOM 0 HB2 LYS A 41 21.147 6.923 3.674 1.00 0.00 H new ATOM 0 HB3 LYS A 41 22.810 7.454 3.522 1.00 0.00 H new ATOM 0 HG2 LYS A 41 22.755 4.701 2.718 1.00 0.00 H new ATOM 0 HG3 LYS A 41 21.387 5.476 1.943 1.00 0.00 H new ATOM 0 HD2 LYS A 41 22.985 7.330 1.184 1.00 0.00 H new ATOM 0 HD3 LYS A 41 24.307 6.351 1.788 1.00 0.00 H new ATOM 0 HE2 LYS A 41 22.485 4.792 0.071 1.00 0.00 H new ATOM 0 HE3 LYS A 41 23.144 6.181 -0.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 24.582 4.264 -0.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 25.370 5.490 -0.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 24.733 4.143 0.702 1.00 0.00 H new ATOM 707 N ASN A 42 21.649 3.590 5.028 1.00 0.00 N ATOM 708 CA ASN A 42 20.702 2.553 5.401 1.00 0.00 C ATOM 709 C ASN A 42 19.341 2.862 4.775 1.00 0.00 C ATOM 710 O ASN A 42 18.605 3.713 5.271 1.00 0.00 O ATOM 711 CB ASN A 42 20.522 2.492 6.919 1.00 0.00 C ATOM 712 CG ASN A 42 20.622 1.052 7.426 1.00 0.00 C ATOM 713 OD1 ASN A 42 21.174 0.176 6.780 1.00 0.00 O ATOM 714 ND2 ASN A 42 20.059 0.856 8.614 1.00 0.00 N ATOM 0 H ASN A 42 22.451 3.262 4.489 1.00 0.00 H new ATOM 0 HA ASN A 42 21.090 1.598 5.045 1.00 0.00 H new ATOM 0 HB2 ASN A 42 21.282 3.105 7.404 1.00 0.00 H new ATOM 0 HB3 ASN A 42 19.553 2.911 7.191 1.00 0.00 H new ATOM 0 HD21 ASN A 42 20.073 -0.072 9.038 1.00 0.00 H new ATOM 0 HD22 ASN A 42 19.613 1.633 9.102 1.00 0.00 H new ATOM 721 N THR A 43 19.047 2.152 3.695 1.00 0.00 N ATOM 722 CA THR A 43 17.787 2.340 2.997 1.00 0.00 C ATOM 723 C THR A 43 16.632 2.436 3.996 1.00 0.00 C ATOM 724 O THR A 43 16.732 1.936 5.115 1.00 0.00 O ATOM 725 CB THR A 43 17.628 1.197 1.992 1.00 0.00 C ATOM 726 OG1 THR A 43 18.719 1.372 1.092 1.00 0.00 O ATOM 727 CG2 THR A 43 16.388 1.360 1.111 1.00 0.00 C ATOM 0 H THR A 43 19.660 1.446 3.287 1.00 0.00 H new ATOM 0 HA THR A 43 17.777 3.280 2.446 1.00 0.00 H new ATOM 0 HB THR A 43 17.571 0.249 2.527 1.00 0.00 H new ATOM 0 HG1 THR A 43 18.694 0.671 0.407 1.00 0.00 H new ATOM 0 HG21 THR A 43 16.323 0.523 0.416 1.00 0.00 H new ATOM 0 HG22 THR A 43 15.497 1.382 1.738 1.00 0.00 H new ATOM 0 HG23 THR A 43 16.460 2.292 0.550 1.00 0.00 H new ATOM 735 N LYS A 44 15.562 3.081 3.555 1.00 0.00 N ATOM 736 CA LYS A 44 14.389 3.248 4.397 1.00 0.00 C ATOM 737 C LYS A 44 13.157 3.448 3.513 1.00 0.00 C ATOM 738 O LYS A 44 12.685 4.571 3.344 1.00 0.00 O ATOM 739 CB LYS A 44 14.611 4.376 5.407 1.00 0.00 C ATOM 740 CG LYS A 44 15.158 5.629 4.719 1.00 0.00 C ATOM 741 CD LYS A 44 14.830 6.886 5.527 1.00 0.00 C ATOM 742 CE LYS A 44 13.370 7.298 5.331 1.00 0.00 C ATOM 743 NZ LYS A 44 12.895 8.091 6.488 1.00 0.00 N ATOM 0 H LYS A 44 15.482 3.494 2.626 1.00 0.00 H new ATOM 0 HA LYS A 44 14.214 2.350 4.990 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.671 4.612 5.906 1.00 0.00 H new ATOM 0 HB3 LYS A 44 15.308 4.047 6.178 1.00 0.00 H new ATOM 0 HG2 LYS A 44 16.238 5.541 4.600 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.733 5.714 3.719 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.021 6.703 6.584 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.486 7.701 5.221 1.00 0.00 H new ATOM 0 HE2 LYS A 44 13.271 7.883 4.416 1.00 0.00 H new ATOM 0 HE3 LYS A 44 12.749 6.411 5.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.902 8.362 6.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.971 7.521 7.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.477 8.947 6.584 1.00 0.00 H new ATOM 756 N LEU A 45 12.670 2.340 2.973 1.00 0.00 N ATOM 757 CA LEU A 45 11.501 2.379 2.111 1.00 0.00 C ATOM 758 C LEU A 45 10.245 2.538 2.969 1.00 0.00 C ATOM 759 O LEU A 45 9.339 1.708 2.910 1.00 0.00 O ATOM 760 CB LEU A 45 11.470 1.154 1.195 1.00 0.00 C ATOM 761 CG LEU A 45 11.302 -0.199 1.890 1.00 0.00 C ATOM 762 CD1 LEU A 45 10.021 -0.897 1.429 1.00 0.00 C ATOM 763 CD2 LEU A 45 12.538 -1.077 1.688 1.00 0.00 C ATOM 0 H LEU A 45 13.064 1.410 3.116 1.00 0.00 H new ATOM 0 HA LEU A 45 11.545 3.243 1.448 1.00 0.00 H new ATOM 0 HB2 LEU A 45 10.654 1.278 0.483 1.00 0.00 H new ATOM 0 HB3 LEU A 45 12.395 1.132 0.619 1.00 0.00 H new ATOM 0 HG LEU A 45 11.205 -0.023 2.961 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.926 -1.856 1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.160 -0.272 1.668 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.063 -1.060 0.352 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.392 -2.032 2.192 1.00 0.00 H new ATOM 0 HD22 LEU A 45 12.692 -1.249 0.623 1.00 0.00 H new ATOM 0 HD23 LEU A 45 13.412 -0.577 2.105 1.00 0.00 H new ATOM 775 N VAL A 46 10.230 3.611 3.747 1.00 0.00 N ATOM 776 CA VAL A 46 9.100 3.889 4.616 1.00 0.00 C ATOM 777 C VAL A 46 8.646 5.335 4.408 1.00 0.00 C ATOM 778 O VAL A 46 8.566 6.108 5.362 1.00 0.00 O ATOM 779 CB VAL A 46 9.469 3.581 6.069 1.00 0.00 C ATOM 780 CG1 VAL A 46 10.728 4.343 6.488 1.00 0.00 C ATOM 781 CG2 VAL A 46 8.302 3.892 7.008 1.00 0.00 C ATOM 0 H VAL A 46 10.983 4.298 3.793 1.00 0.00 H new ATOM 0 HA VAL A 46 8.257 3.245 4.365 1.00 0.00 H new ATOM 0 HB VAL A 46 9.683 2.515 6.142 1.00 0.00 H new ATOM 0 HG11 VAL A 46 10.968 4.106 7.525 1.00 0.00 H new ATOM 0 HG12 VAL A 46 11.560 4.052 5.847 1.00 0.00 H new ATOM 0 HG13 VAL A 46 10.554 5.415 6.391 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.590 3.664 8.034 1.00 0.00 H new ATOM 0 HG22 VAL A 46 8.043 4.948 6.929 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.440 3.286 6.730 1.00 0.00 H new ATOM 791 N LYS A 47 8.360 5.657 3.155 1.00 0.00 N ATOM 792 CA LYS A 47 7.916 6.997 2.809 1.00 0.00 C ATOM 793 C LYS A 47 7.297 6.980 1.410 1.00 0.00 C ATOM 794 O LYS A 47 8.014 6.966 0.411 1.00 0.00 O ATOM 795 CB LYS A 47 9.064 7.998 2.962 1.00 0.00 C ATOM 796 CG LYS A 47 10.181 7.708 1.958 1.00 0.00 C ATOM 797 CD LYS A 47 10.206 8.759 0.846 1.00 0.00 C ATOM 798 CE LYS A 47 11.523 9.538 0.858 1.00 0.00 C ATOM 799 NZ LYS A 47 11.362 10.838 0.170 1.00 0.00 N ATOM 0 H LYS A 47 8.427 5.013 2.367 1.00 0.00 H new ATOM 0 HA LYS A 47 7.139 7.330 3.497 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.690 9.011 2.813 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.460 7.950 3.976 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.142 7.694 2.472 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.037 6.718 1.525 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.075 8.274 -0.121 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.371 9.448 0.973 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.846 9.701 1.886 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.302 8.954 0.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.265 11.354 0.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.075 10.676 -0.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.633 11.399 0.655 1.00 0.00 H new ATOM 812 N LYS A 48 5.973 6.981 1.384 1.00 0.00 N ATOM 813 CA LYS A 48 5.249 6.966 0.124 1.00 0.00 C ATOM 814 C LYS A 48 5.732 8.125 -0.750 1.00 0.00 C ATOM 815 O LYS A 48 5.556 9.290 -0.397 1.00 0.00 O ATOM 816 CB LYS A 48 3.740 6.971 0.373 1.00 0.00 C ATOM 817 CG LYS A 48 3.351 5.917 1.412 1.00 0.00 C ATOM 818 CD LYS A 48 1.839 5.682 1.416 1.00 0.00 C ATOM 819 CE LYS A 48 1.438 4.677 0.334 1.00 0.00 C ATOM 820 NZ LYS A 48 0.227 5.140 -0.380 1.00 0.00 N ATOM 0 H LYS A 48 5.382 6.992 2.215 1.00 0.00 H new ATOM 0 HA LYS A 48 5.455 6.046 -0.423 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.428 7.957 0.716 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.213 6.777 -0.561 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.867 4.981 1.197 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.675 6.240 2.401 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.527 5.314 2.393 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.320 6.626 1.251 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.258 4.549 -0.373 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.251 3.703 0.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.032 4.447 -1.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.557 5.240 0.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.418 6.059 -0.827 1.00 0.00 H new ATOM 833 N ILE A 49 6.332 7.764 -1.876 1.00 0.00 N ATOM 834 CA ILE A 49 6.842 8.760 -2.804 1.00 0.00 C ATOM 835 C ILE A 49 5.684 9.626 -3.303 1.00 0.00 C ATOM 836 O ILE A 49 4.564 9.517 -2.806 1.00 0.00 O ATOM 837 CB ILE A 49 7.635 8.088 -3.926 1.00 0.00 C ATOM 838 CG1 ILE A 49 6.700 7.520 -4.995 1.00 0.00 C ATOM 839 CG2 ILE A 49 8.582 7.024 -3.368 1.00 0.00 C ATOM 840 CD1 ILE A 49 5.598 6.668 -4.363 1.00 0.00 C ATOM 0 H ILE A 49 6.476 6.797 -2.166 1.00 0.00 H new ATOM 0 HA ILE A 49 7.544 9.425 -2.302 1.00 0.00 H new ATOM 0 HB ILE A 49 8.252 8.846 -4.409 1.00 0.00 H new ATOM 0 HG12 ILE A 49 6.253 8.336 -5.563 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.272 6.917 -5.700 1.00 0.00 H new ATOM 0 HG21 ILE A 49 9.133 6.562 -4.187 1.00 0.00 H new ATOM 0 HG22 ILE A 49 9.283 7.489 -2.675 1.00 0.00 H new ATOM 0 HG23 ILE A 49 8.005 6.262 -2.844 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.947 6.276 -5.145 1.00 0.00 H new ATOM 0 HD12 ILE A 49 6.047 5.839 -3.816 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.013 7.280 -3.677 1.00 0.00 H new ATOM 852 N ASP A 50 5.993 10.467 -4.279 1.00 0.00 N ATOM 853 CA ASP A 50 4.992 11.351 -4.850 1.00 0.00 C ATOM 854 C ASP A 50 4.500 10.768 -6.176 1.00 0.00 C ATOM 855 O ASP A 50 3.304 10.789 -6.462 1.00 0.00 O ATOM 856 CB ASP A 50 5.577 12.737 -5.131 1.00 0.00 C ATOM 857 CG ASP A 50 6.211 13.428 -3.922 1.00 0.00 C ATOM 858 OD1 ASP A 50 5.647 14.380 -3.362 1.00 0.00 O ATOM 859 OD2 ASP A 50 7.349 12.946 -3.553 1.00 0.00 O ATOM 0 H ASP A 50 6.923 10.555 -4.689 1.00 0.00 H new ATOM 0 HA ASP A 50 4.175 11.443 -4.134 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.330 12.645 -5.914 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.786 13.376 -5.522 1.00 0.00 H new ATOM 865 N HIS A 51 5.448 10.263 -6.952 1.00 0.00 N ATOM 866 CA HIS A 51 5.126 9.675 -8.241 1.00 0.00 C ATOM 867 C HIS A 51 4.070 10.529 -8.945 1.00 0.00 C ATOM 868 O HIS A 51 2.956 10.069 -9.188 1.00 0.00 O ATOM 869 CB HIS A 51 4.697 8.215 -8.081 1.00 0.00 C ATOM 870 CG HIS A 51 5.681 7.220 -8.650 1.00 0.00 C ATOM 871 ND1 HIS A 51 6.366 7.436 -9.833 1.00 0.00 N ATOM 872 CD2 HIS A 51 6.087 6.004 -8.186 1.00 0.00 C ATOM 873 CE1 HIS A 51 7.146 6.390 -10.062 1.00 0.00 C ATOM 874 NE2 HIS A 51 6.971 5.503 -9.040 1.00 0.00 N ATOM 0 H HIS A 51 6.439 10.249 -6.713 1.00 0.00 H new ATOM 0 HA HIS A 51 6.015 9.665 -8.872 1.00 0.00 H new ATOM 0 HB2 HIS A 51 4.553 8.003 -7.021 1.00 0.00 H new ATOM 0 HB3 HIS A 51 3.732 8.075 -8.568 1.00 0.00 H new ATOM 0 HD2 HIS A 51 5.747 5.529 -7.278 1.00 0.00 H new ATOM 0 HE1 HIS A 51 7.804 6.262 -10.908 1.00 0.00 H new ATOM 0 HE2 HIS A 51 7.442 4.603 -8.948 1.00 0.00 H new ATOM 882 N ALA A 52 4.458 11.758 -9.252 1.00 0.00 N ATOM 883 CA ALA A 52 3.558 12.681 -9.923 1.00 0.00 C ATOM 884 C ALA A 52 2.203 12.672 -9.213 1.00 0.00 C ATOM 885 O ALA A 52 1.343 11.848 -9.520 1.00 0.00 O ATOM 886 CB ALA A 52 3.445 12.300 -11.401 1.00 0.00 C ATOM 0 H ALA A 52 5.383 12.136 -9.049 1.00 0.00 H new ATOM 0 HA ALA A 52 3.947 13.698 -9.877 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.770 12.992 -11.905 1.00 0.00 H new ATOM 0 HB2 ALA A 52 4.430 12.350 -11.866 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.055 11.286 -11.487 1.00 0.00 H new ATOM 892 N LYS A 53 2.054 13.599 -8.279 1.00 0.00 N ATOM 893 CA LYS A 53 0.818 13.709 -7.523 1.00 0.00 C ATOM 894 C LYS A 53 -0.203 14.507 -8.336 1.00 0.00 C ATOM 895 O LYS A 53 -1.077 13.930 -8.980 1.00 0.00 O ATOM 896 CB LYS A 53 1.089 14.291 -6.134 1.00 0.00 C ATOM 897 CG LYS A 53 0.472 13.414 -5.042 1.00 0.00 C ATOM 898 CD LYS A 53 1.554 12.658 -4.269 1.00 0.00 C ATOM 899 CE LYS A 53 1.791 13.290 -2.897 1.00 0.00 C ATOM 900 NZ LYS A 53 3.165 13.831 -2.805 1.00 0.00 N ATOM 0 H LYS A 53 2.769 14.282 -8.028 1.00 0.00 H new ATOM 0 HA LYS A 53 0.388 12.722 -7.351 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.164 14.375 -5.974 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.678 15.299 -6.072 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.104 14.034 -4.355 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.223 12.704 -5.490 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.258 11.616 -4.147 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.483 12.661 -4.840 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.068 14.088 -2.728 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.634 12.546 -2.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.168 14.668 -2.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.798 13.107 -2.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.497 14.099 -3.753 1.00 0.00 H new ATOM 913 N VAL A 54 -0.058 15.823 -8.280 1.00 0.00 N ATOM 914 CA VAL A 54 -0.956 16.707 -9.003 1.00 0.00 C ATOM 915 C VAL A 54 -0.502 16.807 -10.460 1.00 0.00 C ATOM 916 O VAL A 54 -0.293 17.905 -10.975 1.00 0.00 O ATOM 917 CB VAL A 54 -1.028 18.066 -8.304 1.00 0.00 C ATOM 918 CG1 VAL A 54 -1.613 17.928 -6.897 1.00 0.00 C ATOM 919 CG2 VAL A 54 0.347 18.735 -8.263 1.00 0.00 C ATOM 0 H VAL A 54 0.669 16.298 -7.745 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.969 16.304 -9.005 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.694 18.706 -8.883 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.653 18.908 -6.422 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.619 17.514 -6.960 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.984 17.263 -6.305 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.268 19.699 -7.761 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.045 18.099 -7.719 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.709 18.884 -9.280 1.00 0.00 H new ATOM 929 N ARG A 55 -0.363 15.647 -11.085 1.00 0.00 N ATOM 930 CA ARG A 55 0.063 15.591 -12.473 1.00 0.00 C ATOM 931 C ARG A 55 -0.862 14.673 -13.275 1.00 0.00 C ATOM 932 O ARG A 55 -0.582 13.486 -13.431 1.00 0.00 O ATOM 933 CB ARG A 55 1.501 15.080 -12.588 1.00 0.00 C ATOM 934 CG ARG A 55 2.328 15.976 -13.512 1.00 0.00 C ATOM 935 CD ARG A 55 3.233 16.910 -12.705 1.00 0.00 C ATOM 936 NE ARG A 55 3.127 18.291 -13.226 1.00 0.00 N ATOM 937 CZ ARG A 55 3.368 19.397 -12.491 1.00 0.00 C ATOM 938 NH1 ARG A 55 3.731 19.293 -11.195 1.00 0.00 N ATOM 939 NH2 ARG A 55 3.243 20.583 -13.059 1.00 0.00 N ATOM 0 H ARG A 55 -0.538 14.738 -10.656 1.00 0.00 H new ATOM 0 HA ARG A 55 0.016 16.603 -12.875 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.960 15.048 -11.600 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.499 14.060 -12.971 1.00 0.00 H new ATOM 0 HG2 ARG A 55 2.935 15.359 -14.175 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.663 16.565 -14.144 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.948 16.886 -11.653 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.267 16.569 -12.763 1.00 0.00 H new ATOM 0 HE ARG A 55 2.855 18.415 -14.201 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.825 18.373 -10.764 1.00 0.00 H new ATOM 0 HH12 ARG A 55 3.911 20.134 -10.647 1.00 0.00 H new ATOM 0 HH21 ARG A 55 2.968 20.653 -14.039 1.00 0.00 H new ATOM 0 HH22 ARG A 55 3.421 21.429 -12.518 1.00 0.00 H new ATOM 952 N LYS A 56 -1.946 15.259 -13.763 1.00 0.00 N ATOM 953 CA LYS A 56 -2.914 14.509 -14.546 1.00 0.00 C ATOM 954 C LYS A 56 -2.413 14.385 -15.986 1.00 0.00 C ATOM 955 O LYS A 56 -2.943 15.029 -16.889 1.00 0.00 O ATOM 956 CB LYS A 56 -4.302 15.143 -14.430 1.00 0.00 C ATOM 957 CG LYS A 56 -4.780 15.154 -12.977 1.00 0.00 C ATOM 958 CD LYS A 56 -5.787 14.031 -12.722 1.00 0.00 C ATOM 959 CE LYS A 56 -6.766 14.414 -11.610 1.00 0.00 C ATOM 960 NZ LYS A 56 -6.603 13.516 -10.444 1.00 0.00 N ATOM 0 H LYS A 56 -2.175 16.244 -13.631 1.00 0.00 H new ATOM 0 HA LYS A 56 -3.017 13.496 -14.156 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.273 16.162 -14.815 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.011 14.590 -15.046 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -3.926 15.040 -12.309 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.238 16.116 -12.748 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -6.337 13.816 -13.638 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.258 13.119 -12.447 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.596 15.447 -11.307 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.789 14.355 -11.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.275 13.790 -9.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.788 12.534 -10.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.632 13.593 -10.080 1.00 0.00 H new ATOM 973 N HIS A 57 -1.396 13.552 -16.155 1.00 0.00 N ATOM 974 CA HIS A 57 -0.818 13.334 -17.470 1.00 0.00 C ATOM 975 C HIS A 57 -0.452 14.680 -18.098 1.00 0.00 C ATOM 976 O HIS A 57 -1.317 15.380 -18.622 1.00 0.00 O ATOM 977 CB HIS A 57 -1.758 12.506 -18.347 1.00 0.00 C ATOM 978 CG HIS A 57 -1.049 11.635 -19.356 1.00 0.00 C ATOM 979 ND1 HIS A 57 -1.654 11.188 -20.518 1.00 0.00 N ATOM 980 CD2 HIS A 57 0.219 11.133 -19.365 1.00 0.00 C ATOM 981 CE1 HIS A 57 -0.780 10.452 -21.188 1.00 0.00 C ATOM 982 NE2 HIS A 57 0.380 10.418 -20.472 1.00 0.00 N ATOM 0 H HIS A 57 -0.958 13.020 -15.403 1.00 0.00 H new ATOM 0 HA HIS A 57 0.100 12.754 -17.376 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -2.374 11.875 -17.706 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -2.433 13.180 -18.875 1.00 0.00 H new ATOM 0 HD2 HIS A 57 0.966 11.290 -18.601 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -0.955 9.964 -22.135 1.00 0.00 H new ATOM 0 HE2 HIS A 57 1.231 9.925 -20.742 1.00 0.00 H new ATOM 990 N GLN A 58 0.831 15.002 -18.025 1.00 0.00 N ATOM 991 CA GLN A 58 1.322 16.252 -18.580 1.00 0.00 C ATOM 992 C GLN A 58 1.149 16.261 -20.101 1.00 0.00 C ATOM 993 O GLN A 58 1.303 15.230 -20.753 1.00 0.00 O ATOM 994 CB GLN A 58 2.783 16.487 -18.193 1.00 0.00 C ATOM 995 CG GLN A 58 3.681 15.373 -18.736 1.00 0.00 C ATOM 996 CD GLN A 58 4.002 14.348 -17.646 1.00 0.00 C ATOM 997 OE1 GLN A 58 3.359 13.192 -17.785 1.00 0.00 O flip ATOM 998 NE2 GLN A 58 4.783 14.591 -16.741 1.00 0.00 N flip ATOM 0 H GLN A 58 1.546 14.419 -17.590 1.00 0.00 H new ATOM 0 HA GLN A 58 0.734 17.069 -18.162 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.116 17.449 -18.582 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.872 16.534 -17.108 1.00 0.00 H new ATOM 0 HG2 GLN A 58 3.187 14.878 -19.572 1.00 0.00 H new ATOM 0 HG3 GLN A 58 4.606 15.802 -19.121 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.243 15.500 -16.694 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.976 13.885 -16.031 1.00 0.00 H new ATOM 1007 N ARG A 59 0.832 17.438 -20.621 1.00 0.00 N ATOM 1008 CA ARG A 59 0.637 17.595 -22.052 1.00 0.00 C ATOM 1009 C ARG A 59 -0.532 16.729 -22.526 1.00 0.00 C ATOM 1010 O ARG A 59 -0.676 15.585 -22.099 1.00 0.00 O ATOM 1011 CB ARG A 59 1.898 17.205 -22.826 1.00 0.00 C ATOM 1012 CG ARG A 59 2.443 18.394 -23.620 1.00 0.00 C ATOM 1013 CD ARG A 59 3.973 18.399 -23.620 1.00 0.00 C ATOM 1014 NE ARG A 59 4.475 19.646 -23.003 1.00 0.00 N ATOM 1015 CZ ARG A 59 5.745 19.823 -22.581 1.00 0.00 C ATOM 1016 NH1 ARG A 59 6.654 18.833 -22.709 1.00 0.00 N ATOM 1017 NH2 ARG A 59 6.086 20.980 -22.044 1.00 0.00 N ATOM 0 H ARG A 59 0.705 18.291 -20.077 1.00 0.00 H new ATOM 0 HA ARG A 59 0.417 18.645 -22.244 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.659 16.847 -22.132 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.673 16.382 -23.505 1.00 0.00 H new ATOM 0 HG2 ARG A 59 2.076 18.350 -24.645 1.00 0.00 H new ATOM 0 HG3 ARG A 59 2.073 19.324 -23.189 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.348 17.535 -23.071 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.345 18.313 -24.641 1.00 0.00 H new ATOM 0 HE ARG A 59 3.821 20.420 -22.889 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.383 17.943 -23.127 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.612 18.975 -22.388 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.394 21.724 -21.953 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.041 21.130 -21.720 1.00 0.00 H new ATOM 1030 N LYS A 60 -1.338 17.309 -23.404 1.00 0.00 N ATOM 1031 CA LYS A 60 -2.490 16.605 -23.941 1.00 0.00 C ATOM 1032 C LYS A 60 -3.107 17.432 -25.071 1.00 0.00 C ATOM 1033 O LYS A 60 -4.316 17.656 -25.092 1.00 0.00 O ATOM 1034 CB LYS A 60 -3.475 16.258 -22.823 1.00 0.00 C ATOM 1035 CG LYS A 60 -4.038 17.526 -22.176 1.00 0.00 C ATOM 1036 CD LYS A 60 -3.071 18.082 -21.130 1.00 0.00 C ATOM 1037 CE LYS A 60 -3.786 18.331 -19.800 1.00 0.00 C ATOM 1038 NZ LYS A 60 -4.271 17.056 -19.226 1.00 0.00 N ATOM 0 H LYS A 60 -1.216 18.258 -23.757 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.186 15.652 -24.373 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.291 15.658 -23.225 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.975 15.651 -22.068 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.223 18.279 -22.942 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -4.998 17.305 -21.709 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.250 17.381 -20.980 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.634 19.013 -21.492 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -3.106 18.816 -19.100 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.625 19.010 -19.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -4.312 17.135 -18.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.221 16.848 -19.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.622 16.287 -19.489 1.00 0.00 H new ATOM 1051 N PHE A 61 -2.248 17.864 -25.983 1.00 0.00 N ATOM 1052 CA PHE A 61 -2.694 18.661 -27.112 1.00 0.00 C ATOM 1053 C PHE A 61 -1.583 18.805 -28.154 1.00 0.00 C ATOM 1054 O PHE A 61 -0.405 18.642 -27.838 1.00 0.00 O ATOM 1055 CB PHE A 61 -3.049 20.047 -26.569 1.00 0.00 C ATOM 1056 CG PHE A 61 -4.486 20.481 -26.864 1.00 0.00 C ATOM 1057 CD1 PHE A 61 -4.817 20.940 -28.101 1.00 0.00 C ATOM 1058 CD2 PHE A 61 -5.432 20.409 -25.890 1.00 0.00 C ATOM 1059 CE1 PHE A 61 -6.151 21.343 -28.375 1.00 0.00 C ATOM 1060 CE2 PHE A 61 -6.766 20.812 -26.164 1.00 0.00 C ATOM 1061 CZ PHE A 61 -7.097 21.271 -27.400 1.00 0.00 C ATOM 0 H PHE A 61 -1.246 17.677 -25.962 1.00 0.00 H new ATOM 0 HA PHE A 61 -3.547 18.181 -27.592 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.892 20.055 -25.490 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -2.364 20.780 -26.996 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.066 20.998 -28.875 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.169 20.045 -24.908 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -6.414 21.707 -29.357 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.517 20.754 -25.390 1.00 0.00 H new ATOM 0 HZ PHE A 61 -8.111 21.579 -27.608 1.00 0.00 H new ATOM 1071 N LEU A 62 -1.997 19.108 -29.376 1.00 0.00 N ATOM 1072 CA LEU A 62 -1.051 19.275 -30.467 1.00 0.00 C ATOM 1073 C LEU A 62 -0.963 20.757 -30.837 1.00 0.00 C ATOM 1074 O LEU A 62 -1.585 21.600 -30.192 1.00 0.00 O ATOM 1075 CB LEU A 62 -1.423 18.369 -31.642 1.00 0.00 C ATOM 1076 CG LEU A 62 -2.741 18.693 -32.348 1.00 0.00 C ATOM 1077 CD1 LEU A 62 -2.708 18.233 -33.807 1.00 0.00 C ATOM 1078 CD2 LEU A 62 -3.930 18.104 -31.588 1.00 0.00 C ATOM 0 H LEU A 62 -2.974 19.242 -29.635 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.053 18.963 -30.158 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.620 18.413 -32.377 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.470 17.341 -31.282 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.868 19.776 -32.354 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.657 18.475 -34.286 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.897 18.740 -34.330 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.547 17.156 -33.845 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.854 18.349 -32.112 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.823 17.021 -31.528 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.961 18.521 -30.582 1.00 0.00 H new ATOM 1090 N GLN A 63 -0.185 21.029 -31.874 1.00 0.00 N ATOM 1091 CA GLN A 63 -0.008 22.395 -32.338 1.00 0.00 C ATOM 1092 C GLN A 63 -1.169 22.802 -33.248 1.00 0.00 C ATOM 1093 O GLN A 63 -1.321 22.265 -34.344 1.00 0.00 O ATOM 1094 CB GLN A 63 1.334 22.561 -33.054 1.00 0.00 C ATOM 1095 CG GLN A 63 1.477 21.548 -34.191 1.00 0.00 C ATOM 1096 CD GLN A 63 2.712 20.667 -33.989 1.00 0.00 C ATOM 1097 OE1 GLN A 63 3.717 21.081 -33.434 1.00 0.00 O ATOM 1098 NE2 GLN A 63 2.582 19.434 -34.469 1.00 0.00 N ATOM 0 H GLN A 63 0.330 20.327 -32.406 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.004 23.055 -31.470 1.00 0.00 H new ATOM 0 HB2 GLN A 63 1.416 23.573 -33.451 1.00 0.00 H new ATOM 0 HB3 GLN A 63 2.149 22.431 -32.342 1.00 0.00 H new ATOM 0 HG2 GLN A 63 0.585 20.924 -34.241 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.552 22.073 -35.143 1.00 0.00 H new ATOM 0 HE21 GLN A 63 1.713 19.152 -34.923 1.00 0.00 H new ATOM 0 HE22 GLN A 63 3.351 18.770 -34.384 1.00 0.00 H new ATOM 1107 N ALA A 64 -1.959 23.747 -32.759 1.00 0.00 N ATOM 1108 CA ALA A 64 -3.101 24.232 -33.514 1.00 0.00 C ATOM 1109 C ALA A 64 -2.652 25.366 -34.438 1.00 0.00 C ATOM 1110 O ALA A 64 -3.482 26.101 -34.972 1.00 0.00 O ATOM 1111 CB ALA A 64 -4.204 24.668 -32.548 1.00 0.00 C ATOM 0 H ALA A 64 -1.830 24.189 -31.849 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.511 23.440 -34.140 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.061 25.032 -33.115 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.508 23.819 -31.936 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.830 25.464 -31.904 1.00 0.00 H new ATOM 1117 N ILE A 65 -1.341 25.473 -34.598 1.00 0.00 N ATOM 1118 CA ILE A 65 -0.773 26.505 -35.447 1.00 0.00 C ATOM 1119 C ILE A 65 -0.614 25.960 -36.868 1.00 0.00 C ATOM 1120 O ILE A 65 -1.601 25.776 -37.580 1.00 0.00 O ATOM 1121 CB ILE A 65 0.529 27.038 -34.845 1.00 0.00 C ATOM 1122 CG1 ILE A 65 0.288 27.627 -33.453 1.00 0.00 C ATOM 1123 CG2 ILE A 65 1.197 28.043 -35.785 1.00 0.00 C ATOM 1124 CD1 ILE A 65 -0.650 28.834 -33.524 1.00 0.00 C ATOM 0 H ILE A 65 -0.656 24.861 -34.154 1.00 0.00 H new ATOM 0 HA ILE A 65 -1.445 27.361 -35.506 1.00 0.00 H new ATOM 0 HB ILE A 65 1.218 26.202 -34.726 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.141 26.866 -32.801 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.238 27.926 -33.011 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.120 28.406 -35.333 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.424 27.558 -36.734 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.523 28.882 -35.959 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.805 29.234 -32.522 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.207 29.603 -34.157 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.608 28.526 -33.944 1.00 0.00 H new ATOM 1136 N HIS A 66 0.634 25.716 -37.239 1.00 0.00 N ATOM 1137 CA HIS A 66 0.934 25.196 -38.562 1.00 0.00 C ATOM 1138 C HIS A 66 0.438 23.753 -38.671 1.00 0.00 C ATOM 1139 O HIS A 66 1.141 22.820 -38.286 1.00 0.00 O ATOM 1140 CB HIS A 66 2.426 25.335 -38.875 1.00 0.00 C ATOM 1141 CG HIS A 66 2.886 26.762 -39.053 1.00 0.00 C ATOM 1142 ND1 HIS A 66 3.824 27.356 -38.227 1.00 0.00 N ATOM 1143 CD2 HIS A 66 2.528 27.706 -39.970 1.00 0.00 C ATOM 1144 CE1 HIS A 66 4.014 28.601 -38.637 1.00 0.00 C ATOM 1145 NE2 HIS A 66 3.209 28.817 -39.717 1.00 0.00 N ATOM 0 H HIS A 66 1.450 25.869 -36.646 1.00 0.00 H new ATOM 0 HA HIS A 66 0.408 25.783 -39.315 1.00 0.00 H new ATOM 0 HB2 HIS A 66 3.000 24.877 -38.069 1.00 0.00 H new ATOM 0 HB3 HIS A 66 2.650 24.776 -39.784 1.00 0.00 H new ATOM 0 HD2 HIS A 66 1.812 27.572 -40.767 1.00 0.00 H new ATOM 0 HE1 HIS A 66 4.688 29.319 -38.194 1.00 0.00 H new ATOM 0 HE2 HIS A 66 3.142 29.688 -40.243 1.00 0.00 H new ATOM 1153 N GLN A 67 -0.771 23.616 -39.196 1.00 0.00 N ATOM 1154 CA GLN A 67 -1.370 22.302 -39.360 1.00 0.00 C ATOM 1155 C GLN A 67 -1.434 21.930 -40.843 1.00 0.00 C ATOM 1156 O GLN A 67 -1.077 22.732 -41.704 1.00 0.00 O ATOM 1157 CB GLN A 67 -2.759 22.249 -38.721 1.00 0.00 C ATOM 1158 CG GLN A 67 -2.708 21.566 -37.353 1.00 0.00 C ATOM 1159 CD GLN A 67 -3.538 20.280 -37.351 1.00 0.00 C ATOM 1160 OE1 GLN A 67 -3.692 19.609 -38.358 1.00 0.00 O ATOM 1161 NE2 GLN A 67 -4.061 19.976 -36.167 1.00 0.00 N ATOM 0 H GLN A 67 -1.352 24.392 -39.513 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.743 21.572 -38.849 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -3.152 23.260 -38.612 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.444 21.710 -39.375 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.674 21.336 -37.096 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -3.083 22.246 -36.589 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.892 20.582 -35.364 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.631 19.137 -36.062 1.00 0.00 H new ATOM 1170 N LEU A 68 -1.892 20.712 -41.095 1.00 0.00 N ATOM 1171 CA LEU A 68 -2.007 20.223 -42.459 1.00 0.00 C ATOM 1172 C LEU A 68 -3.413 20.519 -42.984 1.00 0.00 C ATOM 1173 O LEU A 68 -4.309 20.860 -42.214 1.00 0.00 O ATOM 1174 CB LEU A 68 -1.622 18.745 -42.532 1.00 0.00 C ATOM 1175 CG LEU A 68 -2.607 17.762 -41.896 1.00 0.00 C ATOM 1176 CD1 LEU A 68 -2.979 16.647 -42.876 1.00 0.00 C ATOM 1177 CD2 LEU A 68 -2.056 17.209 -40.580 1.00 0.00 C ATOM 0 H LEU A 68 -2.188 20.050 -40.378 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.306 20.743 -43.111 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.496 18.475 -43.580 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.652 18.619 -42.051 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.524 18.302 -41.660 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.680 15.962 -42.399 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.442 17.081 -43.762 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.080 16.103 -43.166 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.775 16.513 -40.148 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.116 16.690 -40.769 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.883 18.030 -39.884 1.00 0.00 H new ATOM 1189 N ARG A 69 -3.563 20.378 -44.293 1.00 0.00 N ATOM 1190 CA ARG A 69 -4.845 20.626 -44.931 1.00 0.00 C ATOM 1191 C ARG A 69 -4.738 20.402 -46.441 1.00 0.00 C ATOM 1192 O ARG A 69 -3.638 20.312 -46.983 1.00 0.00 O ATOM 1193 CB ARG A 69 -5.324 22.055 -44.667 1.00 0.00 C ATOM 1194 CG ARG A 69 -4.378 23.077 -45.302 1.00 0.00 C ATOM 1195 CD ARG A 69 -5.102 24.397 -45.576 1.00 0.00 C ATOM 1196 NE ARG A 69 -5.305 24.569 -47.032 1.00 0.00 N ATOM 1197 CZ ARG A 69 -6.214 25.406 -47.576 1.00 0.00 C ATOM 1198 NH1 ARG A 69 -7.013 26.156 -46.787 1.00 0.00 N ATOM 1199 NH2 ARG A 69 -6.310 25.480 -48.890 1.00 0.00 N ATOM 0 H ARG A 69 -2.818 20.095 -44.929 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.567 19.929 -44.507 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.329 22.186 -45.069 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -5.385 22.229 -43.593 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -3.530 23.254 -44.640 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -3.977 22.677 -46.234 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.063 24.408 -45.062 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.520 25.230 -45.181 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.722 24.021 -47.664 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -6.932 26.093 -45.772 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -7.697 26.786 -47.206 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -5.703 24.910 -49.479 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -6.992 26.107 -49.317 1.00 0.00 H new ATOM 1212 N SER A 70 -5.897 20.319 -47.078 1.00 0.00 N ATOM 1213 CA SER A 70 -5.948 20.107 -48.514 1.00 0.00 C ATOM 1214 C SER A 70 -5.595 21.403 -49.247 1.00 0.00 C ATOM 1215 O SER A 70 -5.481 22.459 -48.628 1.00 0.00 O ATOM 1216 CB SER A 70 -7.329 19.611 -48.949 1.00 0.00 C ATOM 1217 OG SER A 70 -7.281 18.284 -49.465 1.00 0.00 O ATOM 0 H SER A 70 -6.808 20.395 -46.625 1.00 0.00 H new ATOM 0 HA SER A 70 -5.218 19.340 -48.773 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.011 19.645 -48.099 1.00 0.00 H new ATOM 0 HB3 SER A 70 -7.732 20.281 -49.708 1.00 0.00 H new ATOM 0 HG SER A 70 -8.182 18.003 -49.730 1.00 0.00 H new ATOM 1223 N VAL A 71 -5.431 21.279 -50.556 1.00 0.00 N ATOM 1224 CA VAL A 71 -5.092 22.427 -51.380 1.00 0.00 C ATOM 1225 C VAL A 71 -6.333 22.877 -52.154 1.00 0.00 C ATOM 1226 O VAL A 71 -6.224 23.609 -53.137 1.00 0.00 O ATOM 1227 CB VAL A 71 -3.910 22.088 -52.290 1.00 0.00 C ATOM 1228 CG1 VAL A 71 -4.322 21.088 -53.373 1.00 0.00 C ATOM 1229 CG2 VAL A 71 -3.314 23.353 -52.910 1.00 0.00 C ATOM 0 H VAL A 71 -5.527 20.401 -51.066 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.775 23.264 -50.758 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.139 21.621 -51.678 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.464 20.864 -54.006 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.677 20.170 -52.905 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -5.119 21.517 -53.980 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.476 23.083 -53.552 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.075 23.862 -53.502 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.966 24.017 -52.119 1.00 0.00 H new ATOM 1239 N LYS A 72 -7.484 22.422 -51.681 1.00 0.00 N ATOM 1240 CA LYS A 72 -8.743 22.768 -52.316 1.00 0.00 C ATOM 1241 C LYS A 72 -8.791 22.152 -53.716 1.00 0.00 C ATOM 1242 O LYS A 72 -7.757 21.781 -54.270 1.00 0.00 O ATOM 1243 CB LYS A 72 -8.950 24.284 -52.305 1.00 0.00 C ATOM 1244 CG LYS A 72 -9.560 24.745 -50.980 1.00 0.00 C ATOM 1245 CD LYS A 72 -9.883 26.240 -51.015 1.00 0.00 C ATOM 1246 CE LYS A 72 -11.367 26.487 -50.736 1.00 0.00 C ATOM 1247 NZ LYS A 72 -11.837 27.689 -51.459 1.00 0.00 N ATOM 0 H LYS A 72 -7.570 21.816 -50.865 1.00 0.00 H new ATOM 0 HA LYS A 72 -9.579 22.350 -51.755 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.996 24.786 -52.464 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.603 24.571 -53.129 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.468 24.178 -50.777 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.866 24.538 -50.165 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.278 26.764 -50.275 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.619 26.650 -51.990 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.950 25.619 -51.044 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.526 26.614 -49.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.846 27.842 -51.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.292 28.518 -51.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.704 27.553 -52.481 1.00 0.00 H new ATOM 1260 N MET A 73 -10.001 22.062 -54.247 1.00 0.00 N ATOM 1261 CA MET A 73 -10.197 21.497 -55.572 1.00 0.00 C ATOM 1262 C MET A 73 -9.206 22.093 -56.574 1.00 0.00 C ATOM 1263 O MET A 73 -8.444 22.997 -56.236 1.00 0.00 O ATOM 1264 CB MET A 73 -11.627 21.774 -56.039 1.00 0.00 C ATOM 1265 CG MET A 73 -12.631 20.907 -55.277 1.00 0.00 C ATOM 1266 SD MET A 73 -13.136 19.526 -56.289 1.00 0.00 S ATOM 1267 CE MET A 73 -14.843 19.963 -56.579 1.00 0.00 C ATOM 0 H MET A 73 -10.856 22.371 -53.784 1.00 0.00 H new ATOM 0 HA MET A 73 -10.026 20.422 -55.517 1.00 0.00 H new ATOM 0 HB2 MET A 73 -11.864 22.827 -55.890 1.00 0.00 H new ATOM 0 HB3 MET A 73 -11.709 21.577 -57.108 1.00 0.00 H new ATOM 0 HG2 MET A 73 -12.183 20.546 -54.351 1.00 0.00 H new ATOM 0 HG3 MET A 73 -13.501 21.502 -54.999 1.00 0.00 H new ATOM 0 HE1 MET A 73 -15.313 19.201 -57.200 1.00 0.00 H new ATOM 0 HE2 MET A 73 -15.368 20.030 -55.626 1.00 0.00 H new ATOM 0 HE3 MET A 73 -14.891 20.926 -57.088 1.00 0.00 H new ATOM 1277 N GLU A 74 -9.249 21.562 -57.787 1.00 0.00 N ATOM 1278 CA GLU A 74 -8.365 22.030 -58.841 1.00 0.00 C ATOM 1279 C GLU A 74 -9.177 22.437 -60.073 1.00 0.00 C ATOM 1280 O GLU A 74 -10.375 22.170 -60.147 1.00 0.00 O ATOM 1281 CB GLU A 74 -7.324 20.967 -59.196 1.00 0.00 C ATOM 1282 CG GLU A 74 -5.995 21.243 -58.490 1.00 0.00 C ATOM 1283 CD GLU A 74 -4.853 20.465 -59.148 1.00 0.00 C ATOM 1284 OE1 GLU A 74 -4.900 19.227 -59.208 1.00 0.00 O ATOM 1285 OE2 GLU A 74 -3.892 21.192 -59.607 1.00 0.00 O ATOM 0 H GLU A 74 -9.882 20.812 -58.064 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.830 22.907 -58.477 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.693 19.982 -58.911 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.170 20.950 -60.275 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -5.778 22.311 -58.521 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -6.072 20.964 -57.439 1.00 0.00 H new ATOM 1293 N GLN A 75 -8.491 23.077 -61.008 1.00 0.00 N ATOM 1294 CA GLN A 75 -9.133 23.523 -62.233 1.00 0.00 C ATOM 1295 C GLN A 75 -9.236 22.366 -63.230 1.00 0.00 C ATOM 1296 O GLN A 75 -8.722 21.278 -62.979 1.00 0.00 O ATOM 1297 CB GLN A 75 -8.383 24.708 -62.845 1.00 0.00 C ATOM 1298 CG GLN A 75 -9.156 26.012 -62.635 1.00 0.00 C ATOM 1299 CD GLN A 75 -9.102 26.452 -61.170 1.00 0.00 C ATOM 1300 OE1 GLN A 75 -8.913 25.658 -60.264 1.00 0.00 O ATOM 1301 NE2 GLN A 75 -9.280 27.758 -60.991 1.00 0.00 N ATOM 0 H GLN A 75 -7.497 23.297 -60.942 1.00 0.00 H new ATOM 0 HA GLN A 75 -10.141 23.859 -61.990 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -7.394 24.790 -62.393 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -8.233 24.537 -63.911 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -8.737 26.793 -63.269 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.194 25.877 -62.940 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -9.434 28.367 -61.795 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -9.263 28.151 -60.050 1.00 0.00 H new ATOM 1310 N ARG A 76 -9.904 22.642 -64.340 1.00 0.00 N ATOM 1311 CA ARG A 76 -10.081 21.639 -65.376 1.00 0.00 C ATOM 1312 C ARG A 76 -10.133 22.302 -66.754 1.00 0.00 C ATOM 1313 O ARG A 76 -10.938 23.203 -66.983 1.00 0.00 O ATOM 1314 CB ARG A 76 -11.367 20.839 -65.154 1.00 0.00 C ATOM 1315 CG ARG A 76 -12.563 21.770 -64.948 1.00 0.00 C ATOM 1316 CD ARG A 76 -13.826 20.974 -64.613 1.00 0.00 C ATOM 1317 NE ARG A 76 -14.302 21.328 -63.257 1.00 0.00 N ATOM 1318 CZ ARG A 76 -15.531 21.029 -62.785 1.00 0.00 C ATOM 1319 NH1 ARG A 76 -16.420 20.369 -63.556 1.00 0.00 N ATOM 1320 NH2 ARG A 76 -15.851 21.394 -61.557 1.00 0.00 N ATOM 0 H ARG A 76 -10.329 23.546 -64.545 1.00 0.00 H new ATOM 0 HA ARG A 76 -9.230 20.959 -65.328 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.549 20.191 -66.012 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -11.251 20.192 -64.285 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -12.347 22.472 -64.143 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -12.729 22.360 -65.850 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -14.604 21.184 -65.347 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -13.617 19.905 -64.667 1.00 0.00 H new ATOM 0 HE ARG A 76 -13.662 21.829 -62.641 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -16.166 20.092 -64.504 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -17.346 20.147 -63.191 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -15.174 21.894 -60.981 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -16.775 21.176 -61.185 1.00 0.00 H new ATOM 1333 N LYS A 77 -9.265 21.829 -67.636 1.00 0.00 N ATOM 1334 CA LYS A 77 -9.201 22.364 -68.985 1.00 0.00 C ATOM 1335 C LYS A 77 -8.787 21.253 -69.951 1.00 0.00 C ATOM 1336 O LYS A 77 -8.749 20.082 -69.577 1.00 0.00 O ATOM 1337 CB LYS A 77 -8.289 23.591 -69.032 1.00 0.00 C ATOM 1338 CG LYS A 77 -9.091 24.879 -68.830 1.00 0.00 C ATOM 1339 CD LYS A 77 -8.166 26.096 -68.759 1.00 0.00 C ATOM 1340 CE LYS A 77 -7.735 26.373 -67.317 1.00 0.00 C ATOM 1341 NZ LYS A 77 -7.979 27.791 -66.968 1.00 0.00 N ATOM 0 H LYS A 77 -8.600 21.080 -67.442 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.183 22.713 -69.303 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.524 23.510 -68.260 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -7.771 23.627 -69.991 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -9.799 25.003 -69.650 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.675 24.808 -67.912 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -7.286 25.925 -69.379 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.677 26.970 -69.164 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -8.285 25.724 -66.635 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -6.677 26.139 -67.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -7.681 27.963 -65.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -7.435 28.405 -67.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -8.993 28.003 -67.065 1.00 0.00 H new ATOM 1354 N LEU A 78 -8.487 21.659 -71.176 1.00 0.00 N ATOM 1355 CA LEU A 78 -8.077 20.712 -72.199 1.00 0.00 C ATOM 1356 C LEU A 78 -9.256 19.800 -72.546 1.00 0.00 C ATOM 1357 O LEU A 78 -9.745 19.816 -73.674 1.00 0.00 O ATOM 1358 CB LEU A 78 -6.823 19.954 -71.757 1.00 0.00 C ATOM 1359 CG LEU A 78 -5.889 20.702 -70.804 1.00 0.00 C ATOM 1360 CD1 LEU A 78 -4.809 19.770 -70.251 1.00 0.00 C ATOM 1361 CD2 LEU A 78 -5.289 21.936 -71.481 1.00 0.00 C ATOM 0 H LEU A 78 -8.520 22.631 -71.483 1.00 0.00 H new ATOM 0 HA LEU A 78 -7.799 21.236 -73.113 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.134 19.026 -71.276 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.257 19.678 -72.647 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.476 21.053 -69.956 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.159 20.327 -69.576 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.279 18.950 -69.708 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.219 19.368 -71.075 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.629 22.450 -70.782 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.720 21.629 -72.359 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -6.090 22.610 -71.785 1.00 0.00 H new ATOM 1373 N ASN A 79 -9.677 19.028 -71.556 1.00 0.00 N ATOM 1374 CA ASN A 79 -10.789 18.112 -71.742 1.00 0.00 C ATOM 1375 C ASN A 79 -12.086 18.912 -71.875 1.00 0.00 C ATOM 1376 O ASN A 79 -13.021 18.719 -71.098 1.00 0.00 O ATOM 1377 CB ASN A 79 -10.934 17.171 -70.545 1.00 0.00 C ATOM 1378 CG ASN A 79 -11.291 17.948 -69.276 1.00 0.00 C ATOM 1379 OD1 ASN A 79 -11.337 19.167 -69.257 1.00 0.00 O ATOM 1380 ND2 ASN A 79 -11.539 17.178 -68.221 1.00 0.00 N ATOM 0 H ASN A 79 -9.268 19.018 -70.622 1.00 0.00 H new ATOM 0 HA ASN A 79 -10.596 17.525 -72.640 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -11.707 16.431 -70.752 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -10.003 16.626 -70.392 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -11.786 17.602 -67.327 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -11.483 16.163 -68.306 1.00 0.00 H new ATOM 1387 N ASP A 80 -12.103 19.792 -72.865 1.00 0.00 N ATOM 1388 CA ASP A 80 -13.270 20.622 -73.109 1.00 0.00 C ATOM 1389 C ASP A 80 -13.612 21.400 -71.838 1.00 0.00 C ATOM 1390 O ASP A 80 -14.157 20.838 -70.889 1.00 0.00 O ATOM 1391 CB ASP A 80 -14.484 19.769 -73.483 1.00 0.00 C ATOM 1392 CG ASP A 80 -14.698 19.571 -74.985 1.00 0.00 C ATOM 1393 OD1 ASP A 80 -14.539 18.460 -75.512 1.00 0.00 O ATOM 1394 OD2 ASP A 80 -15.048 20.633 -75.630 1.00 0.00 O ATOM 0 H ASP A 80 -11.327 19.948 -73.508 1.00 0.00 H new ATOM 0 HA ASP A 80 -13.037 21.298 -73.932 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -14.380 18.791 -73.014 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -15.377 20.231 -73.062 1.00 0.00 H new ATOM 1400 N GLN A 81 -13.279 22.683 -71.859 1.00 0.00 N ATOM 1401 CA GLN A 81 -13.545 23.544 -70.719 1.00 0.00 C ATOM 1402 C GLN A 81 -13.301 25.008 -71.092 1.00 0.00 C ATOM 1403 O GLN A 81 -12.582 25.719 -70.392 1.00 0.00 O ATOM 1404 CB GLN A 81 -12.695 23.136 -69.514 1.00 0.00 C ATOM 1405 CG GLN A 81 -13.577 22.801 -68.310 1.00 0.00 C ATOM 1406 CD GLN A 81 -13.662 23.987 -67.347 1.00 0.00 C ATOM 1407 OE1 GLN A 81 -12.935 24.961 -67.454 1.00 0.00 O ATOM 1408 NE2 GLN A 81 -14.588 23.851 -66.402 1.00 0.00 N ATOM 0 H GLN A 81 -12.828 23.147 -72.647 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.592 23.430 -70.438 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -12.082 22.272 -69.772 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -12.012 23.945 -69.255 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -14.577 22.532 -68.651 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -13.173 21.933 -67.789 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -15.163 23.009 -66.369 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -14.723 24.588 -65.710 1.00 0.00 H new ATOM 1417 N ALA A 82 -13.914 25.414 -72.194 1.00 0.00 N ATOM 1418 CA ALA A 82 -13.773 26.780 -72.668 1.00 0.00 C ATOM 1419 C ALA A 82 -14.668 26.986 -73.892 1.00 0.00 C ATOM 1420 O ALA A 82 -15.414 26.087 -74.278 1.00 0.00 O ATOM 1421 CB ALA A 82 -12.300 27.067 -72.968 1.00 0.00 C ATOM 0 H ALA A 82 -14.509 24.821 -72.772 1.00 0.00 H new ATOM 0 HA ALA A 82 -14.094 27.487 -71.903 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -12.194 28.092 -73.324 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.711 26.935 -72.060 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.944 26.378 -73.734 1.00 0.00 H new ATOM 1427 N ASN A 83 -14.564 28.175 -74.468 1.00 0.00 N ATOM 1428 CA ASN A 83 -15.355 28.510 -75.640 1.00 0.00 C ATOM 1429 C ASN A 83 -16.842 28.424 -75.288 1.00 0.00 C ATOM 1430 O ASN A 83 -17.235 27.639 -74.427 1.00 0.00 O ATOM 1431 CB ASN A 83 -15.083 27.533 -76.786 1.00 0.00 C ATOM 1432 CG ASN A 83 -13.704 27.779 -77.400 1.00 0.00 C ATOM 1433 OD1 ASN A 83 -12.800 26.965 -77.307 1.00 0.00 O ATOM 1434 ND2 ASN A 83 -13.593 28.944 -78.032 1.00 0.00 N ATOM 0 H ASN A 83 -13.944 28.918 -74.145 1.00 0.00 H new ATOM 0 HA ASN A 83 -15.083 29.518 -75.953 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -15.144 26.509 -76.418 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -15.851 27.642 -77.552 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -12.712 29.201 -78.476 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -14.389 29.580 -78.073 1.00 0.00 H new ATOM 1441 N THR A 84 -17.627 29.243 -75.973 1.00 0.00 N ATOM 1442 CA THR A 84 -19.062 29.270 -75.743 1.00 0.00 C ATOM 1443 C THR A 84 -19.805 28.692 -76.949 1.00 0.00 C ATOM 1444 O THR A 84 -19.883 27.476 -77.111 1.00 0.00 O ATOM 1445 CB THR A 84 -19.461 30.710 -75.416 1.00 0.00 C ATOM 1446 OG1 THR A 84 -18.989 31.463 -76.529 1.00 0.00 O ATOM 1447 CG2 THR A 84 -18.685 31.277 -74.226 1.00 0.00 C ATOM 0 H THR A 84 -17.297 29.892 -76.687 1.00 0.00 H new ATOM 0 HA THR A 84 -19.340 28.641 -74.897 1.00 0.00 H new ATOM 0 HB THR A 84 -20.530 30.751 -75.205 1.00 0.00 H new ATOM 0 HG1 THR A 84 -19.208 32.410 -76.400 1.00 0.00 H new ATOM 0 HG21 THR A 84 -19.007 32.301 -74.037 1.00 0.00 H new ATOM 0 HG22 THR A 84 -18.876 30.667 -73.343 1.00 0.00 H new ATOM 0 HG23 THR A 84 -17.618 31.267 -74.449 1.00 0.00 H new ATOM 1455 N LEU A 85 -20.333 29.593 -77.765 1.00 0.00 N ATOM 1456 CA LEU A 85 -21.068 29.188 -78.952 1.00 0.00 C ATOM 1457 C LEU A 85 -20.185 29.384 -80.185 1.00 0.00 C ATOM 1458 O LEU A 85 -20.521 28.922 -81.274 1.00 0.00 O ATOM 1459 CB LEU A 85 -22.407 29.925 -79.031 1.00 0.00 C ATOM 1460 CG LEU A 85 -22.332 31.420 -79.347 1.00 0.00 C ATOM 1461 CD1 LEU A 85 -23.631 31.910 -79.989 1.00 0.00 C ATOM 1462 CD2 LEU A 85 -21.968 32.227 -78.100 1.00 0.00 C ATOM 0 H LEU A 85 -20.267 30.602 -77.628 1.00 0.00 H new ATOM 0 HA LEU A 85 -21.316 28.128 -78.903 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -23.020 29.443 -79.793 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -22.924 29.800 -78.080 1.00 0.00 H new ATOM 0 HG LEU A 85 -21.535 31.576 -80.074 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -23.551 32.976 -80.204 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -23.806 31.365 -80.917 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -24.462 31.739 -79.305 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -21.921 33.286 -78.353 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -22.725 32.070 -77.331 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -20.998 31.900 -77.726 1.00 0.00 H new ATOM 1474 N VAL A 86 -19.072 30.072 -79.973 1.00 0.00 N ATOM 1475 CA VAL A 86 -18.137 30.335 -81.055 1.00 0.00 C ATOM 1476 C VAL A 86 -18.917 30.716 -82.315 1.00 0.00 C ATOM 1477 O VAL A 86 -18.717 30.124 -83.375 1.00 0.00 O ATOM 1478 CB VAL A 86 -17.221 29.127 -81.260 1.00 0.00 C ATOM 1479 CG1 VAL A 86 -16.317 29.326 -82.478 1.00 0.00 C ATOM 1480 CG2 VAL A 86 -16.395 28.845 -80.004 1.00 0.00 C ATOM 0 H VAL A 86 -18.797 30.455 -79.069 1.00 0.00 H new ATOM 0 HA VAL A 86 -17.491 31.177 -80.806 1.00 0.00 H new ATOM 0 HB VAL A 86 -17.850 28.257 -81.448 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -15.676 28.453 -82.602 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -16.931 29.455 -83.370 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -15.699 30.212 -82.332 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -15.753 27.981 -80.177 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -15.780 29.714 -79.771 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -17.063 28.638 -79.168 1.00 0.00 H new ATOM 1490 N ASP A 87 -19.788 31.701 -82.158 1.00 0.00 N ATOM 1491 CA ASP A 87 -20.598 32.168 -83.270 1.00 0.00 C ATOM 1492 C ASP A 87 -20.349 33.662 -83.485 1.00 0.00 C ATOM 1493 O ASP A 87 -21.050 34.500 -82.920 1.00 0.00 O ATOM 1494 CB ASP A 87 -22.089 31.974 -82.985 1.00 0.00 C ATOM 1495 CG ASP A 87 -22.951 31.687 -84.217 1.00 0.00 C ATOM 1496 OD1 ASP A 87 -23.239 30.525 -84.538 1.00 0.00 O ATOM 1497 OD2 ASP A 87 -23.336 32.733 -84.868 1.00 0.00 O ATOM 0 H ASP A 87 -19.951 32.189 -81.277 1.00 0.00 H new ATOM 0 HA ASP A 87 -20.321 31.593 -84.153 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -22.205 31.151 -82.280 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -22.469 32.870 -82.495 1.00 0.00 H new ATOM 1503 N LEU A 88 -19.348 33.951 -84.304 1.00 0.00 N ATOM 1504 CA LEU A 88 -18.997 35.329 -84.601 1.00 0.00 C ATOM 1505 C LEU A 88 -18.479 35.421 -86.037 1.00 0.00 C ATOM 1506 O LEU A 88 -17.791 36.377 -86.393 1.00 0.00 O ATOM 1507 CB LEU A 88 -18.017 35.870 -83.558 1.00 0.00 C ATOM 1508 CG LEU A 88 -16.606 35.280 -83.595 1.00 0.00 C ATOM 1509 CD1 LEU A 88 -15.549 36.384 -83.526 1.00 0.00 C ATOM 1510 CD2 LEU A 88 -16.418 34.237 -82.492 1.00 0.00 C ATOM 0 H LEU A 88 -18.769 33.253 -84.771 1.00 0.00 H new ATOM 0 HA LEU A 88 -19.878 35.968 -84.538 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -17.941 36.950 -83.685 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -18.437 35.694 -82.568 1.00 0.00 H new ATOM 0 HG LEU A 88 -16.475 34.767 -84.548 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -14.555 35.938 -83.554 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -15.669 37.056 -84.375 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -15.669 36.945 -82.599 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -15.407 33.834 -82.541 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -16.576 34.703 -81.520 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -17.137 33.430 -82.628 1.00 0.00 H new ATOM 1522 N ALA A 89 -18.829 34.414 -86.825 1.00 0.00 N ATOM 1523 CA ALA A 89 -18.408 34.370 -88.214 1.00 0.00 C ATOM 1524 C ALA A 89 -19.116 33.212 -88.920 1.00 0.00 C ATOM 1525 O ALA A 89 -19.948 33.432 -89.799 1.00 0.00 O ATOM 1526 CB ALA A 89 -16.884 34.249 -88.282 1.00 0.00 C ATOM 0 H ALA A 89 -19.399 33.623 -86.527 1.00 0.00 H new ATOM 0 HA ALA A 89 -18.686 35.290 -88.729 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -16.568 34.216 -89.325 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -16.428 35.109 -87.792 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -16.569 33.335 -87.778 1.00 0.00 H new ATOM 1532 N LYS A 90 -18.760 32.004 -88.509 1.00 0.00 N ATOM 1533 CA LYS A 90 -19.352 30.811 -89.092 1.00 0.00 C ATOM 1534 C LYS A 90 -20.694 30.529 -88.413 1.00 0.00 C ATOM 1535 O LYS A 90 -20.840 30.733 -87.209 1.00 0.00 O ATOM 1536 CB LYS A 90 -18.370 29.639 -89.024 1.00 0.00 C ATOM 1537 CG LYS A 90 -18.069 29.259 -87.573 1.00 0.00 C ATOM 1538 CD LYS A 90 -17.926 27.743 -87.421 1.00 0.00 C ATOM 1539 CE LYS A 90 -18.910 27.201 -86.382 1.00 0.00 C ATOM 1540 NZ LYS A 90 -19.080 25.740 -86.543 1.00 0.00 N ATOM 0 H LYS A 90 -18.070 31.825 -87.780 1.00 0.00 H new ATOM 0 HA LYS A 90 -19.557 30.965 -90.151 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -18.787 28.780 -89.550 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -17.444 29.906 -89.533 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -17.151 29.749 -87.248 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -18.869 29.619 -86.926 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -18.103 27.259 -88.382 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -16.906 27.498 -87.124 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -18.547 27.423 -85.378 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -19.873 27.699 -86.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -19.751 25.388 -85.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -19.447 25.536 -87.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -18.162 25.268 -86.417 1.00 0.00 H new ATOM 1553 N THR A 91 -21.640 30.064 -89.216 1.00 0.00 N ATOM 1554 CA THR A 91 -22.965 29.753 -88.708 1.00 0.00 C ATOM 1555 C THR A 91 -23.797 29.051 -89.784 1.00 0.00 C ATOM 1556 O THR A 91 -24.846 29.551 -90.186 1.00 0.00 O ATOM 1557 CB THR A 91 -23.596 31.052 -88.204 1.00 0.00 C ATOM 1558 OG1 THR A 91 -24.848 30.642 -87.660 1.00 0.00 O ATOM 1559 CG2 THR A 91 -23.977 31.999 -89.343 1.00 0.00 C ATOM 0 H THR A 91 -21.515 29.895 -90.214 1.00 0.00 H new ATOM 0 HA THR A 91 -22.914 29.055 -87.873 1.00 0.00 H new ATOM 0 HB THR A 91 -22.901 31.555 -87.531 1.00 0.00 H new ATOM 0 HG1 THR A 91 -25.393 30.233 -88.365 1.00 0.00 H new ATOM 0 HG21 THR A 91 -24.420 32.905 -88.930 1.00 0.00 H new ATOM 0 HG22 THR A 91 -23.085 32.259 -89.914 1.00 0.00 H new ATOM 0 HG23 THR A 91 -24.697 31.509 -89.998 1.00 0.00 H new ATOM 1567 N GLN A 92 -23.297 27.904 -90.219 1.00 0.00 N ATOM 1568 CA GLN A 92 -23.981 27.129 -91.241 1.00 0.00 C ATOM 1569 C GLN A 92 -23.175 25.874 -91.583 1.00 0.00 C ATOM 1570 O GLN A 92 -23.624 24.757 -91.332 1.00 0.00 O ATOM 1571 CB GLN A 92 -24.237 27.974 -92.490 1.00 0.00 C ATOM 1572 CG GLN A 92 -25.736 28.172 -92.721 1.00 0.00 C ATOM 1573 CD GLN A 92 -26.041 28.368 -94.207 1.00 0.00 C ATOM 1574 OE1 GLN A 92 -25.944 27.457 -95.013 1.00 0.00 O ATOM 1575 NE2 GLN A 92 -26.415 29.605 -94.524 1.00 0.00 N ATOM 0 H GLN A 92 -22.426 27.492 -89.883 1.00 0.00 H new ATOM 0 HA GLN A 92 -24.949 26.819 -90.848 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -23.751 28.944 -92.383 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -23.793 27.489 -93.359 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -26.283 27.307 -92.345 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -26.083 29.038 -92.158 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -26.476 30.321 -93.800 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -26.641 29.837 -95.491 1.00 0.00 H new TER 1584 GLN A 92