USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 668 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 133:sc= 0.0431 (180deg=0) USER MOD Single : A 2 CYS SG : rot 63:sc= -1.02 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ -147:sc= 0.615 (180deg=-1.26!) USER MOD Single : A 10 CYS SG : rot 13:sc= -0.0247 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 HIS : no HD1:sc= -0.283 X(o=-0.28,f=-0.3) USER MOD Single : A 18 SER OG : rot 180:sc= 0.242 USER MOD Single : A 20 CYS SG : rot 67:sc= -0.855! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 180:sc= -0.492 USER MOD Single : A 30 GLN : amide:sc= -0.0677 X(o=-0.068,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 CYS SG : rot 101:sc= -1.41! USER MOD Single : A 41 GLN : amide:sc= 0.108 X(o=0.11,f=0) USER MOD Single : A 44 MET CE :methyl 157:sc= 0 (180deg=-0.721) USER MOD Single : A 47 SER OG : rot 80:sc= -2.08 USER MOD Single : A 50 CYS SG : rot -160:sc= -0.495 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -174:sc= -3.99! USER MOD Single : A 59 THR OG1 : rot 180:sc= -2.16 USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.0473 K(o=-0.047,f=-1.4) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0449 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -0.367 X(o=-0.37,f=-0.16) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 83.348 -15.173 7.125 1.00 0.00 N ATOM 2 CA MET A 1 82.347 -14.477 6.265 1.00 0.00 C ATOM 3 C MET A 1 82.787 -13.035 6.006 1.00 0.00 C ATOM 4 O MET A 1 83.446 -12.419 6.820 1.00 0.00 O ATOM 5 CB MET A 1 81.045 -14.509 7.068 1.00 0.00 C ATOM 6 CG MET A 1 79.997 -13.631 6.380 1.00 0.00 C ATOM 7 SD MET A 1 78.349 -14.074 6.987 1.00 0.00 S ATOM 8 CE MET A 1 77.520 -14.135 5.379 1.00 0.00 C ATOM 0 H1 MET A 1 82.857 -15.679 7.890 1.00 0.00 H new ATOM 0 H2 MET A 1 83.886 -15.853 6.551 1.00 0.00 H new ATOM 0 H3 MET A 1 84.000 -14.474 7.535 1.00 0.00 H new ATOM 0 HA MET A 1 82.235 -14.953 5.291 1.00 0.00 H new ATOM 0 HB2 MET A 1 80.680 -15.533 7.148 1.00 0.00 H new ATOM 0 HB3 MET A 1 81.223 -14.153 8.083 1.00 0.00 H new ATOM 0 HG2 MET A 1 80.200 -12.579 6.580 1.00 0.00 H new ATOM 0 HG3 MET A 1 80.047 -13.765 5.299 1.00 0.00 H new ATOM 0 HE1 MET A 1 76.471 -14.396 5.520 1.00 0.00 H new ATOM 0 HE2 MET A 1 77.589 -13.160 4.897 1.00 0.00 H new ATOM 0 HE3 MET A 1 77.999 -14.886 4.751 1.00 0.00 H new ATOM 18 N CYS A 2 82.426 -12.490 4.875 1.00 0.00 N ATOM 19 CA CYS A 2 82.822 -11.088 4.561 1.00 0.00 C ATOM 20 C CYS A 2 82.472 -10.757 3.107 1.00 0.00 C ATOM 21 O CYS A 2 81.868 -11.547 2.410 1.00 0.00 O ATOM 22 CB CYS A 2 84.336 -11.043 4.772 1.00 0.00 C ATOM 23 SG CYS A 2 84.717 -10.002 6.202 1.00 0.00 S ATOM 0 H CYS A 2 81.874 -12.956 4.155 1.00 0.00 H new ATOM 0 HA CYS A 2 82.304 -10.362 5.188 1.00 0.00 H new ATOM 0 HB2 CYS A 2 84.722 -12.050 4.929 1.00 0.00 H new ATOM 0 HB3 CYS A 2 84.826 -10.649 3.882 1.00 0.00 H new ATOM 0 HG CYS A 2 84.201 -10.530 7.272 1.00 0.00 H new ATOM 29 N ALA A 3 82.846 -9.595 2.644 1.00 0.00 N ATOM 30 CA ALA A 3 82.533 -9.219 1.236 1.00 0.00 C ATOM 31 C ALA A 3 83.491 -8.127 0.753 1.00 0.00 C ATOM 32 O ALA A 3 83.147 -6.962 0.711 1.00 0.00 O ATOM 33 CB ALA A 3 81.098 -8.694 1.275 1.00 0.00 C ATOM 0 H ALA A 3 83.354 -8.891 3.179 1.00 0.00 H new ATOM 0 HA ALA A 3 82.641 -10.060 0.551 1.00 0.00 H new ATOM 0 HB1 ALA A 3 80.792 -8.396 0.272 1.00 0.00 H new ATOM 0 HB2 ALA A 3 80.434 -9.478 1.639 1.00 0.00 H new ATOM 0 HB3 ALA A 3 81.043 -7.834 1.942 1.00 0.00 H new ATOM 39 N VAL A 4 84.690 -8.491 0.390 1.00 0.00 N ATOM 40 CA VAL A 4 85.666 -7.472 -0.090 1.00 0.00 C ATOM 41 C VAL A 4 85.167 -6.834 -1.389 1.00 0.00 C ATOM 42 O VAL A 4 84.859 -7.514 -2.348 1.00 0.00 O ATOM 43 CB VAL A 4 86.960 -8.249 -0.332 1.00 0.00 C ATOM 44 CG1 VAL A 4 87.551 -8.687 1.009 1.00 0.00 C ATOM 45 CG2 VAL A 4 86.661 -9.484 -1.183 1.00 0.00 C ATOM 0 H VAL A 4 85.036 -9.450 0.405 1.00 0.00 H new ATOM 0 HA VAL A 4 85.806 -6.662 0.626 1.00 0.00 H new ATOM 0 HB VAL A 4 87.674 -7.611 -0.853 1.00 0.00 H new ATOM 0 HG11 VAL A 4 88.474 -9.241 0.836 1.00 0.00 H new ATOM 0 HG12 VAL A 4 87.764 -7.808 1.617 1.00 0.00 H new ATOM 0 HG13 VAL A 4 86.837 -9.325 1.530 1.00 0.00 H new ATOM 0 HG21 VAL A 4 87.583 -10.039 -1.356 1.00 0.00 H new ATOM 0 HG22 VAL A 4 85.947 -10.121 -0.661 1.00 0.00 H new ATOM 0 HG23 VAL A 4 86.239 -9.174 -2.139 1.00 0.00 H new ATOM 55 N LEU A 5 85.085 -5.532 -1.429 1.00 0.00 N ATOM 56 CA LEU A 5 84.605 -4.850 -2.664 1.00 0.00 C ATOM 57 C LEU A 5 85.541 -3.694 -3.027 1.00 0.00 C ATOM 58 O LEU A 5 85.951 -2.926 -2.180 1.00 0.00 O ATOM 59 CB LEU A 5 83.214 -4.324 -2.310 1.00 0.00 C ATOM 60 CG LEU A 5 82.172 -4.970 -3.226 1.00 0.00 C ATOM 61 CD1 LEU A 5 80.769 -4.683 -2.690 1.00 0.00 C ATOM 62 CD2 LEU A 5 82.306 -4.392 -4.637 1.00 0.00 C ATOM 0 H LEU A 5 85.330 -4.910 -0.658 1.00 0.00 H new ATOM 0 HA LEU A 5 84.580 -5.520 -3.524 1.00 0.00 H new ATOM 0 HB2 LEU A 5 82.985 -4.546 -1.268 1.00 0.00 H new ATOM 0 HB3 LEU A 5 83.186 -3.240 -2.418 1.00 0.00 H new ATOM 0 HG LEU A 5 82.335 -6.047 -3.256 1.00 0.00 H new ATOM 0 HD11 LEU A 5 80.028 -5.144 -3.344 1.00 0.00 H new ATOM 0 HD12 LEU A 5 80.672 -5.094 -1.685 1.00 0.00 H new ATOM 0 HD13 LEU A 5 80.605 -3.606 -2.658 1.00 0.00 H new ATOM 0 HD21 LEU A 5 81.564 -4.851 -5.290 1.00 0.00 H new ATOM 0 HD22 LEU A 5 82.144 -3.315 -4.606 1.00 0.00 H new ATOM 0 HD23 LEU A 5 83.305 -4.598 -5.021 1.00 0.00 H new ATOM 74 N ARG A 6 85.883 -3.564 -4.281 1.00 0.00 N ATOM 75 CA ARG A 6 86.793 -2.456 -4.695 1.00 0.00 C ATOM 76 C ARG A 6 85.982 -1.310 -5.306 1.00 0.00 C ATOM 77 O ARG A 6 86.322 -0.778 -6.344 1.00 0.00 O ATOM 78 CB ARG A 6 87.723 -3.076 -5.738 1.00 0.00 C ATOM 79 CG ARG A 6 88.416 -4.304 -5.142 1.00 0.00 C ATOM 80 CD ARG A 6 89.699 -3.872 -4.427 1.00 0.00 C ATOM 81 NE ARG A 6 90.653 -4.997 -4.636 1.00 0.00 N ATOM 82 CZ ARG A 6 90.708 -5.975 -3.772 1.00 0.00 C ATOM 83 NH1 ARG A 6 91.181 -5.762 -2.575 1.00 0.00 N ATOM 84 NH2 ARG A 6 90.289 -7.166 -4.105 1.00 0.00 N ATOM 0 H ARG A 6 85.572 -4.176 -5.036 1.00 0.00 H new ATOM 0 HA ARG A 6 87.348 -2.038 -3.855 1.00 0.00 H new ATOM 0 HB2 ARG A 6 87.155 -3.361 -6.624 1.00 0.00 H new ATOM 0 HB3 ARG A 6 88.466 -2.346 -6.057 1.00 0.00 H new ATOM 0 HG2 ARG A 6 87.749 -4.807 -4.442 1.00 0.00 H new ATOM 0 HG3 ARG A 6 88.650 -5.020 -5.930 1.00 0.00 H new ATOM 0 HD2 ARG A 6 90.088 -2.942 -4.842 1.00 0.00 H new ATOM 0 HD3 ARG A 6 89.520 -3.698 -3.366 1.00 0.00 H new ATOM 0 HE ARG A 6 91.263 -5.004 -5.453 1.00 0.00 H new ATOM 0 HH11 ARG A 6 91.508 -4.832 -2.314 1.00 0.00 H new ATOM 0 HH12 ARG A 6 91.224 -6.526 -1.900 1.00 0.00 H new ATOM 0 HH21 ARG A 6 89.918 -7.333 -5.040 1.00 0.00 H new ATOM 0 HH22 ARG A 6 90.332 -7.929 -3.430 1.00 0.00 H new ATOM 98 N GLN A 7 84.913 -0.924 -4.666 1.00 0.00 N ATOM 99 CA GLN A 7 84.077 0.189 -5.202 1.00 0.00 C ATOM 100 C GLN A 7 82.867 0.418 -4.290 1.00 0.00 C ATOM 101 O GLN A 7 82.016 -0.438 -4.163 1.00 0.00 O ATOM 102 CB GLN A 7 83.628 -0.284 -6.585 1.00 0.00 C ATOM 103 CG GLN A 7 83.044 -1.693 -6.479 1.00 0.00 C ATOM 104 CD GLN A 7 82.900 -2.295 -7.877 1.00 0.00 C ATOM 105 OE1 GLN A 7 81.985 -1.960 -8.604 1.00 0.00 O ATOM 106 NE2 GLN A 7 83.772 -3.175 -8.289 1.00 0.00 N ATOM 0 H GLN A 7 84.581 -1.332 -3.792 1.00 0.00 H new ATOM 0 HA GLN A 7 84.621 1.132 -5.254 1.00 0.00 H new ATOM 0 HB2 GLN A 7 82.883 0.400 -6.990 1.00 0.00 H new ATOM 0 HB3 GLN A 7 84.473 -0.280 -7.274 1.00 0.00 H new ATOM 0 HG2 GLN A 7 83.691 -2.321 -5.867 1.00 0.00 H new ATOM 0 HG3 GLN A 7 82.073 -1.659 -5.985 1.00 0.00 H new ATOM 0 HE21 GLN A 7 84.540 -3.456 -7.679 1.00 0.00 H new ATOM 0 HE22 GLN A 7 83.685 -3.581 -9.221 1.00 0.00 H new ATOM 115 N PRO A 8 82.840 1.570 -3.675 1.00 0.00 N ATOM 116 CA PRO A 8 81.729 1.918 -2.755 1.00 0.00 C ATOM 117 C PRO A 8 80.443 2.210 -3.530 1.00 0.00 C ATOM 118 O PRO A 8 80.389 3.104 -4.351 1.00 0.00 O ATOM 119 CB PRO A 8 82.227 3.173 -2.048 1.00 0.00 C ATOM 120 CG PRO A 8 83.218 3.779 -2.990 1.00 0.00 C ATOM 121 CD PRO A 8 83.829 2.649 -3.778 1.00 0.00 C ATOM 0 HA PRO A 8 81.485 1.108 -2.067 1.00 0.00 H new ATOM 0 HB2 PRO A 8 81.407 3.861 -1.841 1.00 0.00 H new ATOM 0 HB3 PRO A 8 82.689 2.930 -1.091 1.00 0.00 H new ATOM 0 HG2 PRO A 8 82.731 4.493 -3.655 1.00 0.00 H new ATOM 0 HG3 PRO A 8 83.986 4.326 -2.442 1.00 0.00 H new ATOM 0 HD2 PRO A 8 84.002 2.934 -4.816 1.00 0.00 H new ATOM 0 HD3 PRO A 8 84.792 2.349 -3.365 1.00 0.00 H new ATOM 129 N LYS A 9 79.402 1.469 -3.265 1.00 0.00 N ATOM 130 CA LYS A 9 78.115 1.711 -3.975 1.00 0.00 C ATOM 131 C LYS A 9 77.336 2.821 -3.266 1.00 0.00 C ATOM 132 O LYS A 9 77.870 3.535 -2.440 1.00 0.00 O ATOM 133 CB LYS A 9 77.356 0.386 -3.892 1.00 0.00 C ATOM 134 CG LYS A 9 77.695 -0.476 -5.109 1.00 0.00 C ATOM 135 CD LYS A 9 76.422 -0.754 -5.910 1.00 0.00 C ATOM 136 CE LYS A 9 75.407 -1.484 -5.027 1.00 0.00 C ATOM 137 NZ LYS A 9 75.390 -2.886 -5.534 1.00 0.00 N ATOM 0 H LYS A 9 79.387 0.707 -2.588 1.00 0.00 H new ATOM 0 HA LYS A 9 78.262 2.026 -5.008 1.00 0.00 H new ATOM 0 HB2 LYS A 9 77.622 -0.140 -2.975 1.00 0.00 H new ATOM 0 HB3 LYS A 9 76.283 0.572 -3.853 1.00 0.00 H new ATOM 0 HG2 LYS A 9 78.427 0.033 -5.736 1.00 0.00 H new ATOM 0 HG3 LYS A 9 78.147 -1.414 -4.788 1.00 0.00 H new ATOM 0 HD2 LYS A 9 75.997 0.182 -6.272 1.00 0.00 H new ATOM 0 HD3 LYS A 9 76.657 -1.358 -6.787 1.00 0.00 H new ATOM 0 HE2 LYS A 9 75.699 -1.448 -3.978 1.00 0.00 H new ATOM 0 HE3 LYS A 9 74.420 -1.026 -5.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 74.434 -3.282 -5.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 75.659 -2.895 -6.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 76.065 -3.460 -4.990 1.00 0.00 H new ATOM 151 N CYS A 10 76.080 2.972 -3.577 1.00 0.00 N ATOM 152 CA CYS A 10 75.277 4.038 -2.913 1.00 0.00 C ATOM 153 C CYS A 10 73.797 3.650 -2.888 1.00 0.00 C ATOM 154 O CYS A 10 73.331 2.890 -3.713 1.00 0.00 O ATOM 155 CB CYS A 10 75.491 5.284 -3.773 1.00 0.00 C ATOM 156 SG CYS A 10 74.871 6.739 -2.892 1.00 0.00 S ATOM 0 H CYS A 10 75.575 2.406 -4.259 1.00 0.00 H new ATOM 0 HA CYS A 10 75.578 4.199 -1.878 1.00 0.00 H new ATOM 0 HB2 CYS A 10 76.551 5.406 -3.998 1.00 0.00 H new ATOM 0 HB3 CYS A 10 74.973 5.175 -4.726 1.00 0.00 H new ATOM 0 HG CYS A 10 74.651 6.432 -1.648 1.00 0.00 H new ATOM 162 N VAL A 11 73.055 4.168 -1.949 1.00 0.00 N ATOM 163 CA VAL A 11 71.605 3.832 -1.872 1.00 0.00 C ATOM 164 C VAL A 11 70.812 5.026 -1.344 1.00 0.00 C ATOM 165 O VAL A 11 71.284 5.781 -0.518 1.00 0.00 O ATOM 166 CB VAL A 11 71.517 2.666 -0.888 1.00 0.00 C ATOM 167 CG1 VAL A 11 72.345 1.489 -1.408 1.00 0.00 C ATOM 168 CG2 VAL A 11 72.057 3.113 0.472 1.00 0.00 C ATOM 0 H VAL A 11 73.390 4.810 -1.231 1.00 0.00 H new ATOM 0 HA VAL A 11 71.193 3.578 -2.848 1.00 0.00 H new ATOM 0 HB VAL A 11 70.478 2.354 -0.784 1.00 0.00 H new ATOM 0 HG11 VAL A 11 72.280 0.659 -0.704 1.00 0.00 H new ATOM 0 HG12 VAL A 11 71.960 1.173 -2.378 1.00 0.00 H new ATOM 0 HG13 VAL A 11 73.386 1.795 -1.513 1.00 0.00 H new ATOM 0 HG21 VAL A 11 71.996 2.285 1.178 1.00 0.00 H new ATOM 0 HG22 VAL A 11 73.096 3.424 0.366 1.00 0.00 H new ATOM 0 HG23 VAL A 11 71.464 3.949 0.842 1.00 0.00 H new ATOM 178 N LYS A 12 69.606 5.199 -1.807 1.00 0.00 N ATOM 179 CA LYS A 12 68.779 6.340 -1.320 1.00 0.00 C ATOM 180 C LYS A 12 67.678 5.819 -0.396 1.00 0.00 C ATOM 181 O LYS A 12 66.639 5.373 -0.841 1.00 0.00 O ATOM 182 CB LYS A 12 68.175 6.961 -2.580 1.00 0.00 C ATOM 183 CG LYS A 12 69.195 7.898 -3.226 1.00 0.00 C ATOM 184 CD LYS A 12 68.993 9.317 -2.691 1.00 0.00 C ATOM 185 CE LYS A 12 70.354 9.991 -2.503 1.00 0.00 C ATOM 186 NZ LYS A 12 70.427 11.021 -3.576 1.00 0.00 N ATOM 0 H LYS A 12 69.157 4.601 -2.501 1.00 0.00 H new ATOM 0 HA LYS A 12 69.361 7.067 -0.753 1.00 0.00 H new ATOM 0 HB2 LYS A 12 67.888 6.178 -3.282 1.00 0.00 H new ATOM 0 HB3 LYS A 12 67.268 7.511 -2.328 1.00 0.00 H new ATOM 0 HG2 LYS A 12 70.207 7.557 -3.009 1.00 0.00 H new ATOM 0 HG3 LYS A 12 69.080 7.887 -4.310 1.00 0.00 H new ATOM 0 HD2 LYS A 12 68.382 9.895 -3.384 1.00 0.00 H new ATOM 0 HD3 LYS A 12 68.456 9.286 -1.743 1.00 0.00 H new ATOM 0 HE2 LYS A 12 70.437 10.444 -1.515 1.00 0.00 H new ATOM 0 HE3 LYS A 12 71.167 9.270 -2.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 71.334 11.526 -3.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 70.353 10.560 -4.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 69.645 11.697 -3.462 1.00 0.00 H new ATOM 200 N LEU A 13 67.901 5.864 0.887 1.00 0.00 N ATOM 201 CA LEU A 13 66.871 5.359 1.838 1.00 0.00 C ATOM 202 C LEU A 13 65.742 6.378 2.008 1.00 0.00 C ATOM 203 O LEU A 13 65.791 7.236 2.866 1.00 0.00 O ATOM 204 CB LEU A 13 67.615 5.162 3.158 1.00 0.00 C ATOM 205 CG LEU A 13 67.260 3.794 3.742 1.00 0.00 C ATOM 206 CD1 LEU A 13 68.251 2.748 3.227 1.00 0.00 C ATOM 207 CD2 LEU A 13 67.333 3.859 5.268 1.00 0.00 C ATOM 0 H LEU A 13 68.750 6.228 1.319 1.00 0.00 H new ATOM 0 HA LEU A 13 66.408 4.438 1.484 1.00 0.00 H new ATOM 0 HB2 LEU A 13 68.691 5.232 2.996 1.00 0.00 H new ATOM 0 HB3 LEU A 13 67.346 5.951 3.861 1.00 0.00 H new ATOM 0 HG LEU A 13 66.250 3.518 3.438 1.00 0.00 H new ATOM 0 HD11 LEU A 13 67.999 1.772 3.643 1.00 0.00 H new ATOM 0 HD12 LEU A 13 68.200 2.703 2.139 1.00 0.00 H new ATOM 0 HD13 LEU A 13 69.261 3.022 3.532 1.00 0.00 H new ATOM 0 HD21 LEU A 13 67.080 2.885 5.686 1.00 0.00 H new ATOM 0 HD22 LEU A 13 68.343 4.134 5.573 1.00 0.00 H new ATOM 0 HD23 LEU A 13 66.628 4.605 5.635 1.00 0.00 H new ATOM 219 N ARG A 14 64.717 6.279 1.209 1.00 0.00 N ATOM 220 CA ARG A 14 63.577 7.229 1.336 1.00 0.00 C ATOM 221 C ARG A 14 62.531 6.630 2.282 1.00 0.00 C ATOM 222 O ARG A 14 62.429 5.430 2.416 1.00 0.00 O ATOM 223 CB ARG A 14 63.022 7.375 -0.085 1.00 0.00 C ATOM 224 CG ARG A 14 61.555 7.811 -0.035 1.00 0.00 C ATOM 225 CD ARG A 14 61.457 9.219 0.552 1.00 0.00 C ATOM 226 NE ARG A 14 60.144 9.245 1.254 1.00 0.00 N ATOM 227 CZ ARG A 14 59.531 10.378 1.452 1.00 0.00 C ATOM 228 NH1 ARG A 14 60.213 11.441 1.782 1.00 0.00 N ATOM 229 NH2 ARG A 14 58.234 10.448 1.325 1.00 0.00 N ATOM 0 H ARG A 14 64.619 5.580 0.472 1.00 0.00 H new ATOM 0 HA ARG A 14 63.867 8.197 1.746 1.00 0.00 H new ATOM 0 HB2 ARG A 14 63.608 8.108 -0.639 1.00 0.00 H new ATOM 0 HB3 ARG A 14 63.110 6.428 -0.617 1.00 0.00 H new ATOM 0 HG2 ARG A 14 61.126 7.793 -1.037 1.00 0.00 H new ATOM 0 HG3 ARG A 14 60.978 7.113 0.571 1.00 0.00 H new ATOM 0 HD2 ARG A 14 62.278 9.419 1.240 1.00 0.00 H new ATOM 0 HD3 ARG A 14 61.504 9.978 -0.229 1.00 0.00 H new ATOM 0 HE ARG A 14 59.724 8.375 1.580 1.00 0.00 H new ATOM 0 HH11 ARG A 14 61.226 11.385 1.885 1.00 0.00 H new ATOM 0 HH12 ARG A 14 59.733 12.327 1.937 1.00 0.00 H new ATOM 0 HH21 ARG A 14 57.701 9.616 1.071 1.00 0.00 H new ATOM 0 HH22 ARG A 14 57.754 11.334 1.480 1.00 0.00 H new ATOM 243 N ALA A 15 61.762 7.449 2.944 1.00 0.00 N ATOM 244 CA ALA A 15 60.739 6.899 3.881 1.00 0.00 C ATOM 245 C ALA A 15 59.418 7.660 3.753 1.00 0.00 C ATOM 246 O ALA A 15 59.385 8.874 3.767 1.00 0.00 O ATOM 247 CB ALA A 15 61.337 7.094 5.275 1.00 0.00 C ATOM 0 H ALA A 15 61.795 8.466 2.879 1.00 0.00 H new ATOM 0 HA ALA A 15 60.515 5.853 3.671 1.00 0.00 H new ATOM 0 HB1 ALA A 15 60.643 6.714 6.025 1.00 0.00 H new ATOM 0 HB2 ALA A 15 62.280 6.552 5.345 1.00 0.00 H new ATOM 0 HB3 ALA A 15 61.514 8.155 5.450 1.00 0.00 H new ATOM 253 N LEU A 16 58.326 6.952 3.637 1.00 0.00 N ATOM 254 CA LEU A 16 57.004 7.631 3.517 1.00 0.00 C ATOM 255 C LEU A 16 56.624 8.263 4.855 1.00 0.00 C ATOM 256 O LEU A 16 55.913 9.247 4.912 1.00 0.00 O ATOM 257 CB LEU A 16 56.017 6.522 3.148 1.00 0.00 C ATOM 258 CG LEU A 16 55.573 6.695 1.696 1.00 0.00 C ATOM 259 CD1 LEU A 16 55.038 5.364 1.164 1.00 0.00 C ATOM 260 CD2 LEU A 16 54.469 7.752 1.625 1.00 0.00 C ATOM 0 H LEU A 16 58.293 5.933 3.620 1.00 0.00 H new ATOM 0 HA LEU A 16 57.012 8.428 2.774 1.00 0.00 H new ATOM 0 HB2 LEU A 16 56.484 5.546 3.283 1.00 0.00 H new ATOM 0 HB3 LEU A 16 55.152 6.556 3.810 1.00 0.00 H new ATOM 0 HG LEU A 16 56.422 7.013 1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 16 54.721 5.487 0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 16 55.823 4.609 1.216 1.00 0.00 H new ATOM 0 HD13 LEU A 16 54.188 5.046 1.768 1.00 0.00 H new ATOM 0 HD21 LEU A 16 54.151 7.877 0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 16 53.620 7.433 2.230 1.00 0.00 H new ATOM 0 HD23 LEU A 16 54.848 8.701 2.005 1.00 0.00 H new ATOM 272 N HIS A 17 57.097 7.703 5.934 1.00 0.00 N ATOM 273 CA HIS A 17 56.772 8.271 7.273 1.00 0.00 C ATOM 274 C HIS A 17 57.665 9.479 7.559 1.00 0.00 C ATOM 275 O HIS A 17 57.610 10.067 8.620 1.00 0.00 O ATOM 276 CB HIS A 17 57.063 7.140 8.260 1.00 0.00 C ATOM 277 CG HIS A 17 56.735 7.594 9.655 1.00 0.00 C ATOM 278 ND1 HIS A 17 55.451 7.956 10.031 1.00 0.00 N ATOM 279 CD2 HIS A 17 57.513 7.750 10.775 1.00 0.00 C ATOM 280 CE1 HIS A 17 55.495 8.309 11.330 1.00 0.00 C ATOM 281 NE2 HIS A 17 56.728 8.201 11.832 1.00 0.00 N ATOM 0 H HIS A 17 57.695 6.877 5.947 1.00 0.00 H new ATOM 0 HA HIS A 17 55.740 8.615 7.342 1.00 0.00 H new ATOM 0 HB2 HIS A 17 56.473 6.260 8.005 1.00 0.00 H new ATOM 0 HB3 HIS A 17 58.112 6.850 8.198 1.00 0.00 H new ATOM 0 HD2 HIS A 17 58.574 7.553 10.828 1.00 0.00 H new ATOM 0 HE1 HIS A 17 54.637 8.639 11.897 1.00 0.00 H new ATOM 0 HE2 HIS A 17 57.029 8.405 12.785 1.00 0.00 H new ATOM 289 N SER A 18 58.488 9.853 6.617 1.00 0.00 N ATOM 290 CA SER A 18 59.386 11.023 6.831 1.00 0.00 C ATOM 291 C SER A 18 59.170 12.059 5.726 1.00 0.00 C ATOM 292 O SER A 18 58.181 12.033 5.021 1.00 0.00 O ATOM 293 CB SER A 18 60.802 10.453 6.762 1.00 0.00 C ATOM 294 OG SER A 18 61.730 11.455 7.155 1.00 0.00 O ATOM 0 H SER A 18 58.577 9.398 5.708 1.00 0.00 H new ATOM 0 HA SER A 18 59.195 11.524 7.780 1.00 0.00 H new ATOM 0 HB2 SER A 18 60.889 9.584 7.414 1.00 0.00 H new ATOM 0 HB3 SER A 18 61.021 10.115 5.749 1.00 0.00 H new ATOM 0 HG SER A 18 62.640 11.093 7.114 1.00 0.00 H new ATOM 300 N ALA A 19 60.091 12.968 5.567 1.00 0.00 N ATOM 301 CA ALA A 19 59.939 14.004 4.507 1.00 0.00 C ATOM 302 C ALA A 19 61.174 14.017 3.603 1.00 0.00 C ATOM 303 O ALA A 19 61.575 15.050 3.102 1.00 0.00 O ATOM 304 CB ALA A 19 59.813 15.328 5.261 1.00 0.00 C ATOM 0 H ALA A 19 60.942 13.039 6.125 1.00 0.00 H new ATOM 0 HA ALA A 19 59.077 13.817 3.867 1.00 0.00 H new ATOM 0 HB1 ALA A 19 59.697 16.144 4.547 1.00 0.00 H new ATOM 0 HB2 ALA A 19 58.942 15.292 5.916 1.00 0.00 H new ATOM 0 HB3 ALA A 19 60.710 15.493 5.858 1.00 0.00 H new ATOM 310 N CYS A 20 61.781 12.881 3.390 1.00 0.00 N ATOM 311 CA CYS A 20 62.989 12.840 2.517 1.00 0.00 C ATOM 312 C CYS A 20 63.634 11.451 2.548 1.00 0.00 C ATOM 313 O CYS A 20 63.008 10.467 2.899 1.00 0.00 O ATOM 314 CB CYS A 20 63.936 13.884 3.111 1.00 0.00 C ATOM 315 SG CYS A 20 64.092 15.279 1.967 1.00 0.00 S ATOM 0 H CYS A 20 61.494 11.983 3.781 1.00 0.00 H new ATOM 0 HA CYS A 20 62.748 13.046 1.474 1.00 0.00 H new ATOM 0 HB2 CYS A 20 63.556 14.229 4.073 1.00 0.00 H new ATOM 0 HB3 CYS A 20 64.914 13.440 3.295 1.00 0.00 H new ATOM 0 HG CYS A 20 62.954 15.902 1.884 1.00 0.00 H new ATOM 321 N LYS A 21 64.883 11.369 2.181 1.00 0.00 N ATOM 322 CA LYS A 21 65.587 10.052 2.181 1.00 0.00 C ATOM 323 C LYS A 21 67.041 10.239 2.624 1.00 0.00 C ATOM 324 O LYS A 21 67.543 11.344 2.682 1.00 0.00 O ATOM 325 CB LYS A 21 65.526 9.570 0.732 1.00 0.00 C ATOM 326 CG LYS A 21 66.154 10.621 -0.185 1.00 0.00 C ATOM 327 CD LYS A 21 65.118 11.089 -1.208 1.00 0.00 C ATOM 328 CE LYS A 21 65.610 10.768 -2.619 1.00 0.00 C ATOM 329 NZ LYS A 21 64.896 9.517 -2.999 1.00 0.00 N ATOM 0 H LYS A 21 65.451 12.161 1.879 1.00 0.00 H new ATOM 0 HA LYS A 21 65.132 9.336 2.866 1.00 0.00 H new ATOM 0 HB2 LYS A 21 66.054 8.622 0.631 1.00 0.00 H new ATOM 0 HB3 LYS A 21 64.491 9.391 0.441 1.00 0.00 H new ATOM 0 HG2 LYS A 21 66.508 11.468 0.403 1.00 0.00 H new ATOM 0 HG3 LYS A 21 67.021 10.202 -0.695 1.00 0.00 H new ATOM 0 HD2 LYS A 21 64.163 10.597 -1.024 1.00 0.00 H new ATOM 0 HD3 LYS A 21 64.950 12.161 -1.106 1.00 0.00 H new ATOM 0 HE2 LYS A 21 65.382 11.579 -3.311 1.00 0.00 H new ATOM 0 HE3 LYS A 21 66.691 10.627 -2.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 65.181 9.232 -3.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 65.138 8.761 -2.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 63.870 9.683 -2.979 1.00 0.00 H new ATOM 343 N PHE A 22 67.723 9.171 2.935 1.00 0.00 N ATOM 344 CA PHE A 22 69.144 9.299 3.369 1.00 0.00 C ATOM 345 C PHE A 22 70.080 8.686 2.324 1.00 0.00 C ATOM 346 O PHE A 22 70.293 7.491 2.295 1.00 0.00 O ATOM 347 CB PHE A 22 69.232 8.519 4.682 1.00 0.00 C ATOM 348 CG PHE A 22 70.680 8.374 5.081 1.00 0.00 C ATOM 349 CD1 PHE A 22 71.572 9.434 4.876 1.00 0.00 C ATOM 350 CD2 PHE A 22 71.133 7.180 5.655 1.00 0.00 C ATOM 351 CE1 PHE A 22 72.915 9.299 5.243 1.00 0.00 C ATOM 352 CE2 PHE A 22 72.476 7.046 6.023 1.00 0.00 C ATOM 353 CZ PHE A 22 73.368 8.105 5.817 1.00 0.00 C ATOM 0 H PHE A 22 67.360 8.218 2.908 1.00 0.00 H new ATOM 0 HA PHE A 22 69.441 10.341 3.490 1.00 0.00 H new ATOM 0 HB2 PHE A 22 68.678 9.038 5.464 1.00 0.00 H new ATOM 0 HB3 PHE A 22 68.775 7.536 4.566 1.00 0.00 H new ATOM 0 HD1 PHE A 22 71.223 10.356 4.435 1.00 0.00 H new ATOM 0 HD2 PHE A 22 70.446 6.362 5.814 1.00 0.00 H new ATOM 0 HE1 PHE A 22 73.603 10.116 5.084 1.00 0.00 H new ATOM 0 HE2 PHE A 22 72.825 6.125 6.466 1.00 0.00 H new ATOM 0 HZ PHE A 22 74.405 8.001 6.101 1.00 0.00 H new ATOM 363 N GLY A 23 70.643 9.495 1.469 1.00 0.00 N ATOM 364 CA GLY A 23 71.568 8.952 0.432 1.00 0.00 C ATOM 365 C GLY A 23 72.873 8.522 1.103 1.00 0.00 C ATOM 366 O GLY A 23 73.739 9.331 1.374 1.00 0.00 O ATOM 0 H GLY A 23 70.504 10.505 1.443 1.00 0.00 H new ATOM 0 HA2 GLY A 23 71.108 8.104 -0.075 1.00 0.00 H new ATOM 0 HA3 GLY A 23 71.767 9.708 -0.328 1.00 0.00 H new ATOM 370 N VAL A 24 73.020 7.256 1.381 1.00 0.00 N ATOM 371 CA VAL A 24 74.268 6.778 2.044 1.00 0.00 C ATOM 372 C VAL A 24 75.044 5.835 1.116 1.00 0.00 C ATOM 373 O VAL A 24 74.473 5.154 0.288 1.00 0.00 O ATOM 374 CB VAL A 24 73.787 6.043 3.300 1.00 0.00 C ATOM 375 CG1 VAL A 24 73.273 4.651 2.934 1.00 0.00 C ATOM 376 CG2 VAL A 24 74.945 5.915 4.293 1.00 0.00 C ATOM 0 H VAL A 24 72.331 6.532 1.178 1.00 0.00 H new ATOM 0 HA VAL A 24 74.948 7.595 2.287 1.00 0.00 H new ATOM 0 HB VAL A 24 72.976 6.612 3.754 1.00 0.00 H new ATOM 0 HG11 VAL A 24 72.934 4.140 3.835 1.00 0.00 H new ATOM 0 HG12 VAL A 24 72.442 4.742 2.235 1.00 0.00 H new ATOM 0 HG13 VAL A 24 74.076 4.077 2.471 1.00 0.00 H new ATOM 0 HG21 VAL A 24 74.602 5.392 5.186 1.00 0.00 H new ATOM 0 HG22 VAL A 24 75.758 5.353 3.833 1.00 0.00 H new ATOM 0 HG23 VAL A 24 75.300 6.908 4.568 1.00 0.00 H new ATOM 386 N ALA A 25 76.344 5.793 1.247 1.00 0.00 N ATOM 387 CA ALA A 25 77.156 4.894 0.374 1.00 0.00 C ATOM 388 C ALA A 25 78.034 3.980 1.228 1.00 0.00 C ATOM 389 O ALA A 25 78.196 4.190 2.413 1.00 0.00 O ATOM 390 CB ALA A 25 78.025 5.828 -0.472 1.00 0.00 C ATOM 0 H ALA A 25 76.879 6.342 1.920 1.00 0.00 H new ATOM 0 HA ALA A 25 76.530 4.251 -0.244 1.00 0.00 H new ATOM 0 HB1 ALA A 25 78.651 5.237 -1.140 1.00 0.00 H new ATOM 0 HB2 ALA A 25 77.386 6.486 -1.061 1.00 0.00 H new ATOM 0 HB3 ALA A 25 78.658 6.428 0.182 1.00 0.00 H new ATOM 396 N ALA A 26 78.605 2.967 0.637 1.00 0.00 N ATOM 397 CA ALA A 26 79.474 2.044 1.424 1.00 0.00 C ATOM 398 C ALA A 26 80.039 0.938 0.527 1.00 0.00 C ATOM 399 O ALA A 26 79.425 0.532 -0.439 1.00 0.00 O ATOM 400 CB ALA A 26 78.552 1.450 2.487 1.00 0.00 C ATOM 0 H ALA A 26 78.509 2.738 -0.352 1.00 0.00 H new ATOM 0 HA ALA A 26 80.330 2.559 1.861 1.00 0.00 H new ATOM 0 HB1 ALA A 26 79.116 0.757 3.111 1.00 0.00 H new ATOM 0 HB2 ALA A 26 78.148 2.251 3.107 1.00 0.00 H new ATOM 0 HB3 ALA A 26 77.733 0.918 2.002 1.00 0.00 H new ATOM 406 N ARG A 27 81.207 0.444 0.846 1.00 0.00 N ATOM 407 CA ARG A 27 81.814 -0.639 0.020 1.00 0.00 C ATOM 408 C ARG A 27 80.934 -1.889 0.063 1.00 0.00 C ATOM 409 O ARG A 27 80.490 -2.384 -0.955 1.00 0.00 O ATOM 410 CB ARG A 27 83.170 -0.920 0.669 1.00 0.00 C ATOM 411 CG ARG A 27 84.149 0.198 0.308 1.00 0.00 C ATOM 412 CD ARG A 27 85.076 -0.278 -0.813 1.00 0.00 C ATOM 413 NE ARG A 27 86.203 -0.956 -0.116 1.00 0.00 N ATOM 414 CZ ARG A 27 87.435 -0.697 -0.460 1.00 0.00 C ATOM 415 NH1 ARG A 27 87.743 -0.546 -1.720 1.00 0.00 N ATOM 416 NH2 ARG A 27 88.358 -0.591 0.455 1.00 0.00 N ATOM 0 H ARG A 27 81.766 0.745 1.644 1.00 0.00 H new ATOM 0 HA ARG A 27 81.914 -0.353 -1.027 1.00 0.00 H new ATOM 0 HB2 ARG A 27 83.060 -0.987 1.751 1.00 0.00 H new ATOM 0 HB3 ARG A 27 83.556 -1.881 0.328 1.00 0.00 H new ATOM 0 HG2 ARG A 27 83.603 1.086 -0.010 1.00 0.00 H new ATOM 0 HG3 ARG A 27 84.734 0.480 1.183 1.00 0.00 H new ATOM 0 HD2 ARG A 27 84.561 -0.961 -1.488 1.00 0.00 H new ATOM 0 HD3 ARG A 27 85.430 0.559 -1.415 1.00 0.00 H new ATOM 0 HE ARG A 27 86.012 -1.624 0.631 1.00 0.00 H new ATOM 0 HH11 ARG A 27 87.021 -0.630 -2.435 1.00 0.00 H new ATOM 0 HH12 ARG A 27 88.706 -0.344 -1.989 1.00 0.00 H new ATOM 0 HH21 ARG A 27 88.117 -0.711 1.439 1.00 0.00 H new ATOM 0 HH22 ARG A 27 89.321 -0.389 0.187 1.00 0.00 H new ATOM 430 N SER A 28 80.678 -2.401 1.234 1.00 0.00 N ATOM 431 CA SER A 28 79.825 -3.617 1.345 1.00 0.00 C ATOM 432 C SER A 28 78.347 -3.224 1.316 1.00 0.00 C ATOM 433 O SER A 28 77.772 -2.866 2.323 1.00 0.00 O ATOM 434 CB SER A 28 80.190 -4.237 2.693 1.00 0.00 C ATOM 435 OG SER A 28 81.300 -5.108 2.524 1.00 0.00 O ATOM 0 H SER A 28 81.023 -2.030 2.119 1.00 0.00 H new ATOM 0 HA SER A 28 79.986 -4.313 0.522 1.00 0.00 H new ATOM 0 HB2 SER A 28 80.433 -3.455 3.412 1.00 0.00 H new ATOM 0 HB3 SER A 28 79.339 -4.787 3.096 1.00 0.00 H new ATOM 0 HG SER A 28 81.538 -5.506 3.387 1.00 0.00 H new ATOM 441 N CYS A 29 77.731 -3.288 0.166 1.00 0.00 N ATOM 442 CA CYS A 29 76.289 -2.919 0.070 1.00 0.00 C ATOM 443 C CYS A 29 75.524 -3.480 1.270 1.00 0.00 C ATOM 444 O CYS A 29 74.531 -2.926 1.701 1.00 0.00 O ATOM 445 CB CYS A 29 75.803 -3.564 -1.227 1.00 0.00 C ATOM 446 SG CYS A 29 76.003 -5.359 -1.118 1.00 0.00 S ATOM 0 H CYS A 29 78.164 -3.580 -0.710 1.00 0.00 H new ATOM 0 HA CYS A 29 76.134 -1.840 0.070 1.00 0.00 H new ATOM 0 HB2 CYS A 29 74.756 -3.314 -1.401 1.00 0.00 H new ATOM 0 HB3 CYS A 29 76.369 -3.175 -2.074 1.00 0.00 H new ATOM 0 HG CYS A 29 75.588 -5.910 -2.220 1.00 0.00 H new ATOM 452 N GLN A 30 75.983 -4.572 1.816 1.00 0.00 N ATOM 453 CA GLN A 30 75.288 -5.164 2.995 1.00 0.00 C ATOM 454 C GLN A 30 75.177 -4.121 4.106 1.00 0.00 C ATOM 455 O GLN A 30 74.179 -4.032 4.794 1.00 0.00 O ATOM 456 CB GLN A 30 76.177 -6.328 3.434 1.00 0.00 C ATOM 457 CG GLN A 30 75.392 -7.252 4.366 1.00 0.00 C ATOM 458 CD GLN A 30 75.543 -8.700 3.898 1.00 0.00 C ATOM 459 OE1 GLN A 30 76.038 -9.537 4.627 1.00 0.00 O ATOM 460 NE2 GLN A 30 75.138 -9.033 2.703 1.00 0.00 N ATOM 0 H GLN A 30 76.808 -5.080 1.498 1.00 0.00 H new ATOM 0 HA GLN A 30 74.276 -5.495 2.763 1.00 0.00 H new ATOM 0 HB2 GLN A 30 76.523 -6.883 2.562 1.00 0.00 H new ATOM 0 HB3 GLN A 30 77.063 -5.950 3.943 1.00 0.00 H new ATOM 0 HG2 GLN A 30 75.757 -7.150 5.388 1.00 0.00 H new ATOM 0 HG3 GLN A 30 74.339 -6.969 4.373 1.00 0.00 H new ATOM 0 HE21 GLN A 30 74.723 -8.331 2.091 1.00 0.00 H new ATOM 0 HE22 GLN A 30 75.237 -9.996 2.381 1.00 0.00 H new ATOM 469 N GLU A 31 76.196 -3.327 4.280 1.00 0.00 N ATOM 470 CA GLU A 31 76.158 -2.281 5.340 1.00 0.00 C ATOM 471 C GLU A 31 75.048 -1.275 5.034 1.00 0.00 C ATOM 472 O GLU A 31 74.294 -0.881 5.902 1.00 0.00 O ATOM 473 CB GLU A 31 77.531 -1.609 5.278 1.00 0.00 C ATOM 474 CG GLU A 31 78.068 -1.404 6.696 1.00 0.00 C ATOM 475 CD GLU A 31 78.631 -2.725 7.226 1.00 0.00 C ATOM 476 OE1 GLU A 31 79.805 -2.975 7.010 1.00 0.00 O ATOM 477 OE2 GLU A 31 77.879 -3.462 7.842 1.00 0.00 O ATOM 0 H GLU A 31 77.056 -3.357 3.732 1.00 0.00 H new ATOM 0 HA GLU A 31 75.953 -2.691 6.329 1.00 0.00 H new ATOM 0 HB2 GLU A 31 78.222 -2.224 4.702 1.00 0.00 H new ATOM 0 HB3 GLU A 31 77.455 -0.650 4.765 1.00 0.00 H new ATOM 0 HG2 GLU A 31 78.845 -0.640 6.695 1.00 0.00 H new ATOM 0 HG3 GLU A 31 77.272 -1.048 7.350 1.00 0.00 H new ATOM 484 N LEU A 32 74.940 -0.862 3.803 1.00 0.00 N ATOM 485 CA LEU A 32 73.875 0.112 3.431 1.00 0.00 C ATOM 486 C LEU A 32 72.506 -0.432 3.843 1.00 0.00 C ATOM 487 O LEU A 32 71.707 0.257 4.447 1.00 0.00 O ATOM 488 CB LEU A 32 73.967 0.238 1.908 1.00 0.00 C ATOM 489 CG LEU A 32 75.237 1.002 1.535 1.00 0.00 C ATOM 490 CD1 LEU A 32 75.762 0.497 0.190 1.00 0.00 C ATOM 491 CD2 LEU A 32 74.919 2.495 1.429 1.00 0.00 C ATOM 0 H LEU A 32 75.544 -1.157 3.036 1.00 0.00 H new ATOM 0 HA LEU A 32 74.000 1.075 3.926 1.00 0.00 H new ATOM 0 HB2 LEU A 32 73.978 -0.751 1.451 1.00 0.00 H new ATOM 0 HB3 LEU A 32 73.090 0.758 1.522 1.00 0.00 H new ATOM 0 HG LEU A 32 75.995 0.843 2.302 1.00 0.00 H new ATOM 0 HD11 LEU A 32 76.668 1.043 -0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 32 75.988 -0.567 0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 32 75.005 0.655 -0.578 1.00 0.00 H new ATOM 0 HD21 LEU A 32 75.824 3.042 1.163 1.00 0.00 H new ATOM 0 HD22 LEU A 32 74.161 2.652 0.661 1.00 0.00 H new ATOM 0 HD23 LEU A 32 74.545 2.856 2.387 1.00 0.00 H new ATOM 503 N LEU A 33 72.231 -1.667 3.524 1.00 0.00 N ATOM 504 CA LEU A 33 70.916 -2.259 3.902 1.00 0.00 C ATOM 505 C LEU A 33 70.784 -2.307 5.426 1.00 0.00 C ATOM 506 O LEU A 33 69.940 -1.654 6.006 1.00 0.00 O ATOM 507 CB LEU A 33 70.936 -3.672 3.318 1.00 0.00 C ATOM 508 CG LEU A 33 70.482 -3.627 1.859 1.00 0.00 C ATOM 509 CD1 LEU A 33 70.854 -4.939 1.166 1.00 0.00 C ATOM 510 CD2 LEU A 33 68.964 -3.436 1.804 1.00 0.00 C ATOM 0 H LEU A 33 72.859 -2.292 3.018 1.00 0.00 H new ATOM 0 HA LEU A 33 70.074 -1.678 3.527 1.00 0.00 H new ATOM 0 HB2 LEU A 33 71.940 -4.090 3.385 1.00 0.00 H new ATOM 0 HB3 LEU A 33 70.280 -4.324 3.894 1.00 0.00 H new ATOM 0 HG LEU A 33 70.974 -2.797 1.352 1.00 0.00 H new ATOM 0 HD11 LEU A 33 70.530 -4.906 0.126 1.00 0.00 H new ATOM 0 HD12 LEU A 33 71.934 -5.078 1.205 1.00 0.00 H new ATOM 0 HD13 LEU A 33 70.363 -5.770 1.673 1.00 0.00 H new ATOM 0 HD21 LEU A 33 68.639 -3.404 0.764 1.00 0.00 H new ATOM 0 HD22 LEU A 33 68.474 -4.267 2.312 1.00 0.00 H new ATOM 0 HD23 LEU A 33 68.697 -2.501 2.297 1.00 0.00 H new ATOM 522 N ARG A 34 71.615 -3.073 6.081 1.00 0.00 N ATOM 523 CA ARG A 34 71.535 -3.157 7.568 1.00 0.00 C ATOM 524 C ARG A 34 71.451 -1.752 8.165 1.00 0.00 C ATOM 525 O ARG A 34 70.435 -1.352 8.702 1.00 0.00 O ATOM 526 CB ARG A 34 72.829 -3.851 7.999 1.00 0.00 C ATOM 527 CG ARG A 34 72.608 -4.554 9.339 1.00 0.00 C ATOM 528 CD ARG A 34 71.763 -5.812 9.123 1.00 0.00 C ATOM 529 NE ARG A 34 72.565 -6.660 8.198 1.00 0.00 N ATOM 530 CZ ARG A 34 73.739 -7.097 8.565 1.00 0.00 C ATOM 531 NH1 ARG A 34 73.840 -7.969 9.532 1.00 0.00 N ATOM 532 NH2 ARG A 34 74.814 -6.663 7.964 1.00 0.00 N ATOM 0 H ARG A 34 72.344 -3.643 5.652 1.00 0.00 H new ATOM 0 HA ARG A 34 70.654 -3.702 7.907 1.00 0.00 H new ATOM 0 HB2 ARG A 34 73.136 -4.574 7.243 1.00 0.00 H new ATOM 0 HB3 ARG A 34 73.634 -3.121 8.087 1.00 0.00 H new ATOM 0 HG2 ARG A 34 73.567 -4.819 9.785 1.00 0.00 H new ATOM 0 HG3 ARG A 34 72.107 -3.882 10.036 1.00 0.00 H new ATOM 0 HD2 ARG A 34 71.573 -6.326 10.065 1.00 0.00 H new ATOM 0 HD3 ARG A 34 70.792 -5.566 8.692 1.00 0.00 H new ATOM 0 HE ARG A 34 72.197 -6.899 7.277 1.00 0.00 H new ATOM 0 HH11 ARG A 34 73.001 -8.309 10.001 1.00 0.00 H new ATOM 0 HH12 ARG A 34 74.758 -8.310 9.818 1.00 0.00 H new ATOM 0 HH21 ARG A 34 74.736 -5.983 7.208 1.00 0.00 H new ATOM 0 HH22 ARG A 34 75.731 -7.004 8.251 1.00 0.00 H new ATOM 546 N LYS A 35 72.507 -0.996 8.071 1.00 0.00 N ATOM 547 CA LYS A 35 72.482 0.386 8.626 1.00 0.00 C ATOM 548 C LYS A 35 71.176 1.075 8.225 1.00 0.00 C ATOM 549 O LYS A 35 70.655 1.908 8.940 1.00 0.00 O ATOM 550 CB LYS A 35 73.682 1.095 7.999 1.00 0.00 C ATOM 551 CG LYS A 35 74.965 0.647 8.701 1.00 0.00 C ATOM 552 CD LYS A 35 76.177 1.040 7.854 1.00 0.00 C ATOM 553 CE LYS A 35 76.100 2.528 7.506 1.00 0.00 C ATOM 554 NZ LYS A 35 77.445 2.865 6.961 1.00 0.00 N ATOM 0 H LYS A 35 73.386 -1.274 7.635 1.00 0.00 H new ATOM 0 HA LYS A 35 72.536 0.400 9.715 1.00 0.00 H new ATOM 0 HB2 LYS A 35 73.738 0.865 6.935 1.00 0.00 H new ATOM 0 HB3 LYS A 35 73.566 2.175 8.086 1.00 0.00 H new ATOM 0 HG2 LYS A 35 75.032 1.108 9.686 1.00 0.00 H new ATOM 0 HG3 LYS A 35 74.950 -0.432 8.854 1.00 0.00 H new ATOM 0 HD2 LYS A 35 77.097 0.831 8.399 1.00 0.00 H new ATOM 0 HD3 LYS A 35 76.204 0.444 6.942 1.00 0.00 H new ATOM 0 HE2 LYS A 35 75.317 2.722 6.773 1.00 0.00 H new ATOM 0 HE3 LYS A 35 75.869 3.128 8.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 77.471 3.871 6.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 78.169 2.676 7.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 77.635 2.283 6.120 1.00 0.00 H new ATOM 568 N GLY A 36 70.639 0.724 7.086 1.00 0.00 N ATOM 569 CA GLY A 36 69.364 1.350 6.641 1.00 0.00 C ATOM 570 C GLY A 36 68.251 0.977 7.621 1.00 0.00 C ATOM 571 O GLY A 36 67.590 1.831 8.178 1.00 0.00 O ATOM 0 H GLY A 36 71.029 0.032 6.447 1.00 0.00 H new ATOM 0 HA2 GLY A 36 69.474 2.433 6.593 1.00 0.00 H new ATOM 0 HA3 GLY A 36 69.109 1.011 5.637 1.00 0.00 H new ATOM 575 N CYS A 37 68.043 -0.293 7.844 1.00 0.00 N ATOM 576 CA CYS A 37 66.978 -0.714 8.797 1.00 0.00 C ATOM 577 C CYS A 37 67.270 -0.145 10.188 1.00 0.00 C ATOM 578 O CYS A 37 66.423 -0.138 11.058 1.00 0.00 O ATOM 579 CB CYS A 37 67.037 -2.241 8.822 1.00 0.00 C ATOM 580 SG CYS A 37 65.644 -2.876 9.788 1.00 0.00 S ATOM 0 H CYS A 37 68.563 -1.055 7.408 1.00 0.00 H new ATOM 0 HA CYS A 37 65.993 -0.354 8.499 1.00 0.00 H new ATOM 0 HB2 CYS A 37 67.000 -2.635 7.806 1.00 0.00 H new ATOM 0 HB3 CYS A 37 67.979 -2.573 9.258 1.00 0.00 H new ATOM 0 HG CYS A 37 64.707 -3.281 8.983 1.00 0.00 H new ATOM 586 N VAL A 38 68.467 0.330 10.401 1.00 0.00 N ATOM 587 CA VAL A 38 68.820 0.898 11.734 1.00 0.00 C ATOM 588 C VAL A 38 68.391 2.366 11.816 1.00 0.00 C ATOM 589 O VAL A 38 67.594 2.744 12.651 1.00 0.00 O ATOM 590 CB VAL A 38 70.342 0.784 11.822 1.00 0.00 C ATOM 591 CG1 VAL A 38 70.819 1.332 13.168 1.00 0.00 C ATOM 592 CG2 VAL A 38 70.749 -0.686 11.696 1.00 0.00 C ATOM 0 H VAL A 38 69.216 0.349 9.709 1.00 0.00 H new ATOM 0 HA VAL A 38 68.321 0.374 12.549 1.00 0.00 H new ATOM 0 HB VAL A 38 70.797 1.359 11.016 1.00 0.00 H new ATOM 0 HG11 VAL A 38 71.904 1.250 13.230 1.00 0.00 H new ATOM 0 HG12 VAL A 38 70.528 2.379 13.259 1.00 0.00 H new ATOM 0 HG13 VAL A 38 70.365 0.758 13.976 1.00 0.00 H new ATOM 0 HG21 VAL A 38 71.834 -0.770 11.758 1.00 0.00 H new ATOM 0 HG22 VAL A 38 70.294 -1.260 12.503 1.00 0.00 H new ATOM 0 HG23 VAL A 38 70.410 -1.077 10.737 1.00 0.00 H new ATOM 602 N ARG A 39 68.916 3.194 10.956 1.00 0.00 N ATOM 603 CA ARG A 39 68.540 4.638 10.985 1.00 0.00 C ATOM 604 C ARG A 39 67.053 4.807 10.665 1.00 0.00 C ATOM 605 O ARG A 39 66.430 5.773 11.059 1.00 0.00 O ATOM 606 CB ARG A 39 69.401 5.289 9.901 1.00 0.00 C ATOM 607 CG ARG A 39 69.084 6.783 9.824 1.00 0.00 C ATOM 608 CD ARG A 39 70.299 7.589 10.289 1.00 0.00 C ATOM 609 NE ARG A 39 69.745 8.637 11.189 1.00 0.00 N ATOM 610 CZ ARG A 39 69.149 9.683 10.685 1.00 0.00 C ATOM 611 NH1 ARG A 39 69.803 10.490 9.896 1.00 0.00 N ATOM 612 NH2 ARG A 39 67.897 9.921 10.970 1.00 0.00 N ATOM 0 H ARG A 39 69.589 2.935 10.234 1.00 0.00 H new ATOM 0 HA ARG A 39 68.704 5.089 11.964 1.00 0.00 H new ATOM 0 HB2 ARG A 39 70.458 5.142 10.124 1.00 0.00 H new ATOM 0 HB3 ARG A 39 69.210 4.816 8.938 1.00 0.00 H new ATOM 0 HG2 ARG A 39 68.822 7.057 8.802 1.00 0.00 H new ATOM 0 HG3 ARG A 39 68.221 7.015 10.448 1.00 0.00 H new ATOM 0 HD2 ARG A 39 71.015 6.956 10.814 1.00 0.00 H new ATOM 0 HD3 ARG A 39 70.825 8.033 9.444 1.00 0.00 H new ATOM 0 HE ARG A 39 69.831 8.538 12.200 1.00 0.00 H new ATOM 0 HH11 ARG A 39 70.781 10.304 9.673 1.00 0.00 H new ATOM 0 HH12 ARG A 39 69.337 11.307 9.502 1.00 0.00 H new ATOM 0 HH21 ARG A 39 67.385 9.290 11.586 1.00 0.00 H new ATOM 0 HH22 ARG A 39 67.431 10.738 10.576 1.00 0.00 H new ATOM 626 N PHE A 40 66.478 3.876 9.955 1.00 0.00 N ATOM 627 CA PHE A 40 65.030 3.989 9.612 1.00 0.00 C ATOM 628 C PHE A 40 64.198 3.088 10.529 1.00 0.00 C ATOM 629 O PHE A 40 63.000 3.247 10.653 1.00 0.00 O ATOM 630 CB PHE A 40 64.931 3.527 8.158 1.00 0.00 C ATOM 631 CG PHE A 40 65.179 4.702 7.241 1.00 0.00 C ATOM 632 CD1 PHE A 40 66.165 5.642 7.561 1.00 0.00 C ATOM 633 CD2 PHE A 40 64.420 4.853 6.074 1.00 0.00 C ATOM 634 CE1 PHE A 40 66.393 6.734 6.716 1.00 0.00 C ATOM 635 CE2 PHE A 40 64.649 5.946 5.228 1.00 0.00 C ATOM 636 CZ PHE A 40 65.634 6.886 5.549 1.00 0.00 C ATOM 0 H PHE A 40 66.946 3.043 9.598 1.00 0.00 H new ATOM 0 HA PHE A 40 64.650 5.003 9.740 1.00 0.00 H new ATOM 0 HB2 PHE A 40 65.660 2.740 7.964 1.00 0.00 H new ATOM 0 HB3 PHE A 40 63.945 3.103 7.966 1.00 0.00 H new ATOM 0 HD1 PHE A 40 66.751 5.525 8.461 1.00 0.00 H new ATOM 0 HD2 PHE A 40 63.659 4.128 5.826 1.00 0.00 H new ATOM 0 HE1 PHE A 40 67.154 7.459 6.964 1.00 0.00 H new ATOM 0 HE2 PHE A 40 64.065 6.063 4.327 1.00 0.00 H new ATOM 0 HZ PHE A 40 65.809 7.729 4.897 1.00 0.00 H new ATOM 646 N GLN A 41 64.826 2.144 11.176 1.00 0.00 N ATOM 647 CA GLN A 41 64.074 1.234 12.090 1.00 0.00 C ATOM 648 C GLN A 41 62.943 0.529 11.336 1.00 0.00 C ATOM 649 O GLN A 41 61.806 0.960 11.362 1.00 0.00 O ATOM 650 CB GLN A 41 63.505 2.147 13.174 1.00 0.00 C ATOM 651 CG GLN A 41 64.379 2.064 14.426 1.00 0.00 C ATOM 652 CD GLN A 41 64.554 3.463 15.018 1.00 0.00 C ATOM 653 OE1 GLN A 41 63.833 3.852 15.915 1.00 0.00 O ATOM 654 NE2 GLN A 41 65.489 4.243 14.549 1.00 0.00 N ATOM 0 H GLN A 41 65.828 1.963 11.112 1.00 0.00 H new ATOM 0 HA GLN A 41 64.710 0.452 12.504 1.00 0.00 H new ATOM 0 HB2 GLN A 41 63.465 3.175 12.814 1.00 0.00 H new ATOM 0 HB3 GLN A 41 62.483 1.853 13.412 1.00 0.00 H new ATOM 0 HG2 GLN A 41 63.920 1.402 15.160 1.00 0.00 H new ATOM 0 HG3 GLN A 41 65.351 1.639 14.177 1.00 0.00 H new ATOM 0 HE21 GLN A 41 66.095 3.917 13.796 1.00 0.00 H new ATOM 0 HE22 GLN A 41 65.614 5.179 14.936 1.00 0.00 H new ATOM 663 N LEU A 42 63.240 -0.554 10.672 1.00 0.00 N ATOM 664 CA LEU A 42 62.173 -1.284 9.928 1.00 0.00 C ATOM 665 C LEU A 42 62.114 -2.741 10.398 1.00 0.00 C ATOM 666 O LEU A 42 62.973 -3.536 10.070 1.00 0.00 O ATOM 667 CB LEU A 42 62.586 -1.205 8.457 1.00 0.00 C ATOM 668 CG LEU A 42 61.339 -1.230 7.568 1.00 0.00 C ATOM 669 CD1 LEU A 42 60.654 -2.591 7.680 1.00 0.00 C ATOM 670 CD2 LEU A 42 60.369 -0.135 8.016 1.00 0.00 C ATOM 0 H LEU A 42 64.172 -0.965 10.612 1.00 0.00 H new ATOM 0 HA LEU A 42 61.184 -0.856 10.091 1.00 0.00 H new ATOM 0 HB2 LEU A 42 63.154 -0.292 8.277 1.00 0.00 H new ATOM 0 HB3 LEU A 42 63.239 -2.041 8.207 1.00 0.00 H new ATOM 0 HG LEU A 42 61.632 -1.056 6.533 1.00 0.00 H new ATOM 0 HD11 LEU A 42 59.767 -2.605 7.046 1.00 0.00 H new ATOM 0 HD12 LEU A 42 61.342 -3.372 7.358 1.00 0.00 H new ATOM 0 HD13 LEU A 42 60.363 -2.768 8.715 1.00 0.00 H new ATOM 0 HD21 LEU A 42 59.482 -0.153 7.383 1.00 0.00 H new ATOM 0 HD22 LEU A 42 60.079 -0.308 9.052 1.00 0.00 H new ATOM 0 HD23 LEU A 42 60.854 0.837 7.932 1.00 0.00 H new ATOM 682 N PRO A 43 61.100 -3.037 11.162 1.00 0.00 N ATOM 683 CA PRO A 43 60.920 -4.408 11.697 1.00 0.00 C ATOM 684 C PRO A 43 60.456 -5.363 10.594 1.00 0.00 C ATOM 685 O PRO A 43 59.711 -4.992 9.711 1.00 0.00 O ATOM 686 CB PRO A 43 59.839 -4.238 12.760 1.00 0.00 C ATOM 687 CG PRO A 43 59.077 -3.017 12.349 1.00 0.00 C ATOM 688 CD PRO A 43 60.033 -2.128 11.596 1.00 0.00 C ATOM 0 HA PRO A 43 61.841 -4.835 12.095 1.00 0.00 H new ATOM 0 HB2 PRO A 43 59.189 -5.112 12.805 1.00 0.00 H new ATOM 0 HB3 PRO A 43 60.276 -4.115 13.751 1.00 0.00 H new ATOM 0 HG2 PRO A 43 58.227 -3.287 11.722 1.00 0.00 H new ATOM 0 HG3 PRO A 43 58.678 -2.501 13.222 1.00 0.00 H new ATOM 0 HD2 PRO A 43 59.547 -1.649 10.746 1.00 0.00 H new ATOM 0 HD3 PRO A 43 60.421 -1.332 12.231 1.00 0.00 H new ATOM 696 N MET A 44 60.890 -6.591 10.639 1.00 0.00 N ATOM 697 CA MET A 44 60.472 -7.570 9.596 1.00 0.00 C ATOM 698 C MET A 44 58.944 -7.662 9.542 1.00 0.00 C ATOM 699 O MET A 44 58.352 -7.560 8.487 1.00 0.00 O ATOM 700 CB MET A 44 61.074 -8.903 10.043 1.00 0.00 C ATOM 701 CG MET A 44 61.931 -9.481 8.915 1.00 0.00 C ATOM 702 SD MET A 44 63.348 -10.357 9.622 1.00 0.00 S ATOM 703 CE MET A 44 62.412 -11.506 10.660 1.00 0.00 C ATOM 0 H MET A 44 61.517 -6.960 11.354 1.00 0.00 H new ATOM 0 HA MET A 44 60.809 -7.284 8.600 1.00 0.00 H new ATOM 0 HB2 MET A 44 61.681 -8.758 10.937 1.00 0.00 H new ATOM 0 HB3 MET A 44 60.280 -9.602 10.306 1.00 0.00 H new ATOM 0 HG2 MET A 44 61.337 -10.161 8.305 1.00 0.00 H new ATOM 0 HG3 MET A 44 62.275 -8.681 8.259 1.00 0.00 H new ATOM 0 HE1 MET A 44 63.021 -12.386 10.869 1.00 0.00 H new ATOM 0 HE2 MET A 44 62.147 -11.016 11.597 1.00 0.00 H new ATOM 0 HE3 MET A 44 61.504 -11.809 10.140 1.00 0.00 H new ATOM 713 N PRO A 45 58.360 -7.854 10.693 1.00 0.00 N ATOM 714 CA PRO A 45 56.887 -7.964 10.792 1.00 0.00 C ATOM 715 C PRO A 45 56.246 -6.572 10.756 1.00 0.00 C ATOM 716 O PRO A 45 56.882 -5.579 11.049 1.00 0.00 O ATOM 717 CB PRO A 45 56.671 -8.626 12.148 1.00 0.00 C ATOM 718 CG PRO A 45 57.886 -8.288 12.957 1.00 0.00 C ATOM 719 CD PRO A 45 59.013 -7.988 11.998 1.00 0.00 C ATOM 0 HA PRO A 45 56.441 -8.526 9.972 1.00 0.00 H new ATOM 0 HB2 PRO A 45 55.765 -8.254 12.626 1.00 0.00 H new ATOM 0 HB3 PRO A 45 56.556 -9.705 12.044 1.00 0.00 H new ATOM 0 HG2 PRO A 45 57.691 -7.428 13.597 1.00 0.00 H new ATOM 0 HG3 PRO A 45 58.152 -9.118 13.611 1.00 0.00 H new ATOM 0 HD2 PRO A 45 59.537 -7.073 12.275 1.00 0.00 H new ATOM 0 HD3 PRO A 45 59.752 -8.789 11.991 1.00 0.00 H new ATOM 727 N GLY A 46 54.995 -6.493 10.396 1.00 0.00 N ATOM 728 CA GLY A 46 54.320 -5.165 10.341 1.00 0.00 C ATOM 729 C GLY A 46 55.246 -4.151 9.667 1.00 0.00 C ATOM 730 O GLY A 46 55.503 -3.086 10.190 1.00 0.00 O ATOM 0 H GLY A 46 54.411 -7.289 10.138 1.00 0.00 H new ATOM 0 HA2 GLY A 46 53.384 -5.243 9.788 1.00 0.00 H new ATOM 0 HA3 GLY A 46 54.068 -4.831 11.348 1.00 0.00 H new ATOM 734 N SER A 47 55.751 -4.476 8.509 1.00 0.00 N ATOM 735 CA SER A 47 56.662 -3.533 7.799 1.00 0.00 C ATOM 736 C SER A 47 56.968 -4.052 6.392 1.00 0.00 C ATOM 737 O SER A 47 56.563 -5.135 6.021 1.00 0.00 O ATOM 738 CB SER A 47 57.928 -3.498 8.646 1.00 0.00 C ATOM 739 OG SER A 47 58.212 -2.153 9.007 1.00 0.00 O ATOM 0 H SER A 47 55.572 -5.355 8.023 1.00 0.00 H new ATOM 0 HA SER A 47 56.223 -2.542 7.681 1.00 0.00 H new ATOM 0 HB2 SER A 47 57.798 -4.107 9.540 1.00 0.00 H new ATOM 0 HB3 SER A 47 58.764 -3.922 8.090 1.00 0.00 H new ATOM 0 HG SER A 47 57.645 -1.890 9.762 1.00 0.00 H new ATOM 745 N ARG A 48 57.675 -3.287 5.603 1.00 0.00 N ATOM 746 CA ARG A 48 57.997 -3.736 4.220 1.00 0.00 C ATOM 747 C ARG A 48 58.847 -2.686 3.495 1.00 0.00 C ATOM 748 O ARG A 48 58.413 -1.573 3.265 1.00 0.00 O ATOM 749 CB ARG A 48 56.640 -3.888 3.534 1.00 0.00 C ATOM 750 CG ARG A 48 56.408 -5.358 3.192 1.00 0.00 C ATOM 751 CD ARG A 48 55.139 -5.496 2.346 1.00 0.00 C ATOM 752 NE ARG A 48 54.656 -6.879 2.607 1.00 0.00 N ATOM 753 CZ ARG A 48 53.481 -7.070 3.142 1.00 0.00 C ATOM 754 NH1 ARG A 48 52.412 -6.619 2.545 1.00 0.00 N ATOM 755 NH2 ARG A 48 53.376 -7.713 4.274 1.00 0.00 N ATOM 0 H ARG A 48 58.043 -2.370 5.858 1.00 0.00 H new ATOM 0 HA ARG A 48 58.571 -4.662 4.213 1.00 0.00 H new ATOM 0 HB2 ARG A 48 55.847 -3.525 4.188 1.00 0.00 H new ATOM 0 HB3 ARG A 48 56.608 -3.283 2.628 1.00 0.00 H new ATOM 0 HG2 ARG A 48 57.265 -5.754 2.647 1.00 0.00 H new ATOM 0 HG3 ARG A 48 56.313 -5.944 4.106 1.00 0.00 H new ATOM 0 HD2 ARG A 48 54.391 -4.756 2.631 1.00 0.00 H new ATOM 0 HD3 ARG A 48 55.351 -5.344 1.288 1.00 0.00 H new ATOM 0 HE ARG A 48 55.243 -7.678 2.368 1.00 0.00 H new ATOM 0 HH11 ARG A 48 52.495 -6.118 1.661 1.00 0.00 H new ATOM 0 HH12 ARG A 48 51.493 -6.768 2.963 1.00 0.00 H new ATOM 0 HH21 ARG A 48 54.212 -8.066 4.740 1.00 0.00 H new ATOM 0 HH22 ARG A 48 52.458 -7.862 4.692 1.00 0.00 H new ATOM 769 N LEU A 49 60.049 -3.034 3.122 1.00 0.00 N ATOM 770 CA LEU A 49 60.919 -2.060 2.398 1.00 0.00 C ATOM 771 C LEU A 49 60.680 -2.189 0.892 1.00 0.00 C ATOM 772 O LEU A 49 61.170 -3.099 0.254 1.00 0.00 O ATOM 773 CB LEU A 49 62.351 -2.461 2.755 1.00 0.00 C ATOM 774 CG LEU A 49 62.768 -1.756 4.047 1.00 0.00 C ATOM 775 CD1 LEU A 49 64.036 -2.408 4.601 1.00 0.00 C ATOM 776 CD2 LEU A 49 63.043 -0.279 3.753 1.00 0.00 C ATOM 0 H LEU A 49 60.467 -3.950 3.287 1.00 0.00 H new ATOM 0 HA LEU A 49 60.714 -1.025 2.673 1.00 0.00 H new ATOM 0 HB2 LEU A 49 62.418 -3.542 2.880 1.00 0.00 H new ATOM 0 HB3 LEU A 49 63.029 -2.191 1.945 1.00 0.00 H new ATOM 0 HG LEU A 49 61.967 -1.841 4.781 1.00 0.00 H new ATOM 0 HD11 LEU A 49 64.332 -1.905 5.521 1.00 0.00 H new ATOM 0 HD12 LEU A 49 63.843 -3.460 4.809 1.00 0.00 H new ATOM 0 HD13 LEU A 49 64.838 -2.324 3.868 1.00 0.00 H new ATOM 0 HD21 LEU A 49 63.340 0.226 4.672 1.00 0.00 H new ATOM 0 HD22 LEU A 49 63.844 -0.197 3.019 1.00 0.00 H new ATOM 0 HD23 LEU A 49 62.140 0.188 3.359 1.00 0.00 H new ATOM 788 N CYS A 50 59.920 -1.295 0.322 1.00 0.00 N ATOM 789 CA CYS A 50 59.635 -1.380 -1.140 1.00 0.00 C ATOM 790 C CYS A 50 60.685 -0.615 -1.949 1.00 0.00 C ATOM 791 O CYS A 50 61.594 -0.018 -1.406 1.00 0.00 O ATOM 792 CB CYS A 50 58.260 -0.734 -1.308 1.00 0.00 C ATOM 793 SG CYS A 50 57.000 -1.789 -0.548 1.00 0.00 S ATOM 0 H CYS A 50 59.484 -0.509 0.804 1.00 0.00 H new ATOM 0 HA CYS A 50 59.659 -2.409 -1.499 1.00 0.00 H new ATOM 0 HB2 CYS A 50 58.251 0.253 -0.845 1.00 0.00 H new ATOM 0 HB3 CYS A 50 58.040 -0.591 -2.366 1.00 0.00 H new ATOM 0 HG CYS A 50 55.832 -1.489 -1.033 1.00 0.00 H new ATOM 799 N LEU A 51 60.561 -0.631 -3.249 1.00 0.00 N ATOM 800 CA LEU A 51 61.538 0.089 -4.112 1.00 0.00 C ATOM 801 C LEU A 51 60.883 1.329 -4.726 1.00 0.00 C ATOM 802 O LEU A 51 59.797 1.263 -5.272 1.00 0.00 O ATOM 803 CB LEU A 51 61.906 -0.911 -5.203 1.00 0.00 C ATOM 804 CG LEU A 51 63.364 -1.330 -5.041 1.00 0.00 C ATOM 805 CD1 LEU A 51 63.433 -2.830 -4.755 1.00 0.00 C ATOM 806 CD2 LEU A 51 64.121 -1.022 -6.330 1.00 0.00 C ATOM 0 H LEU A 51 59.818 -1.116 -3.753 1.00 0.00 H new ATOM 0 HA LEU A 51 62.411 0.430 -3.556 1.00 0.00 H new ATOM 0 HB2 LEU A 51 61.257 -1.785 -5.144 1.00 0.00 H new ATOM 0 HB3 LEU A 51 61.752 -0.466 -6.186 1.00 0.00 H new ATOM 0 HG LEU A 51 63.814 -0.782 -4.213 1.00 0.00 H new ATOM 0 HD11 LEU A 51 64.474 -3.131 -4.639 1.00 0.00 H new ATOM 0 HD12 LEU A 51 62.887 -3.051 -3.838 1.00 0.00 H new ATOM 0 HD13 LEU A 51 62.987 -3.379 -5.584 1.00 0.00 H new ATOM 0 HD21 LEU A 51 65.164 -1.320 -6.220 1.00 0.00 H new ATOM 0 HD22 LEU A 51 63.672 -1.573 -7.156 1.00 0.00 H new ATOM 0 HD23 LEU A 51 64.069 0.047 -6.536 1.00 0.00 H new ATOM 818 N TYR A 52 61.533 2.456 -4.639 1.00 0.00 N ATOM 819 CA TYR A 52 60.947 3.702 -5.213 1.00 0.00 C ATOM 820 C TYR A 52 61.186 3.760 -6.725 1.00 0.00 C ATOM 821 O TYR A 52 60.828 4.719 -7.381 1.00 0.00 O ATOM 822 CB TYR A 52 61.688 4.839 -4.511 1.00 0.00 C ATOM 823 CG TYR A 52 60.771 6.030 -4.381 1.00 0.00 C ATOM 824 CD1 TYR A 52 59.506 5.881 -3.801 1.00 0.00 C ATOM 825 CD2 TYR A 52 61.187 7.287 -4.839 1.00 0.00 C ATOM 826 CE1 TYR A 52 58.656 6.987 -3.679 1.00 0.00 C ATOM 827 CE2 TYR A 52 60.338 8.392 -4.717 1.00 0.00 C ATOM 828 CZ TYR A 52 59.073 8.242 -4.138 1.00 0.00 C ATOM 829 OH TYR A 52 58.235 9.333 -4.017 1.00 0.00 O ATOM 0 H TYR A 52 62.445 2.569 -4.196 1.00 0.00 H new ATOM 0 HA TYR A 52 59.869 3.758 -5.064 1.00 0.00 H new ATOM 0 HB2 TYR A 52 62.024 4.515 -3.526 1.00 0.00 H new ATOM 0 HB3 TYR A 52 62.578 5.112 -5.077 1.00 0.00 H new ATOM 0 HD1 TYR A 52 59.185 4.912 -3.447 1.00 0.00 H new ATOM 0 HD2 TYR A 52 62.163 7.403 -5.286 1.00 0.00 H new ATOM 0 HE1 TYR A 52 57.680 6.872 -3.231 1.00 0.00 H new ATOM 0 HE2 TYR A 52 60.659 9.361 -5.070 1.00 0.00 H new ATOM 0 HH TYR A 52 58.677 10.127 -4.383 1.00 0.00 H new ATOM 839 N GLU A 53 61.787 2.746 -7.282 1.00 0.00 N ATOM 840 CA GLU A 53 62.047 2.750 -8.751 1.00 0.00 C ATOM 841 C GLU A 53 60.727 2.695 -9.523 1.00 0.00 C ATOM 842 O GLU A 53 60.416 3.575 -10.303 1.00 0.00 O ATOM 843 CB GLU A 53 62.873 1.490 -9.010 1.00 0.00 C ATOM 844 CG GLU A 53 62.954 1.232 -10.516 1.00 0.00 C ATOM 845 CD GLU A 53 64.364 0.762 -10.878 1.00 0.00 C ATOM 846 OE1 GLU A 53 64.999 0.150 -10.033 1.00 0.00 O ATOM 847 OE2 GLU A 53 64.786 1.022 -11.993 1.00 0.00 O ATOM 0 H GLU A 53 62.109 1.915 -6.786 1.00 0.00 H new ATOM 0 HA GLU A 53 62.566 3.652 -9.076 1.00 0.00 H new ATOM 0 HB2 GLU A 53 63.875 1.608 -8.596 1.00 0.00 H new ATOM 0 HB3 GLU A 53 62.419 0.636 -8.508 1.00 0.00 H new ATOM 0 HG2 GLU A 53 62.222 0.478 -10.806 1.00 0.00 H new ATOM 0 HG3 GLU A 53 62.710 2.141 -11.065 1.00 0.00 H new ATOM 854 N ASP A 54 59.948 1.669 -9.318 1.00 0.00 N ATOM 855 CA ASP A 54 58.650 1.561 -10.044 1.00 0.00 C ATOM 856 C ASP A 54 57.570 0.989 -9.121 1.00 0.00 C ATOM 857 O ASP A 54 56.579 0.448 -9.572 1.00 0.00 O ATOM 858 CB ASP A 54 58.923 0.610 -11.209 1.00 0.00 C ATOM 859 CG ASP A 54 57.686 0.534 -12.106 1.00 0.00 C ATOM 860 OD1 ASP A 54 57.349 1.543 -12.703 1.00 0.00 O ATOM 861 OD2 ASP A 54 57.097 -0.533 -12.181 1.00 0.00 O ATOM 0 H ASP A 54 60.153 0.901 -8.679 1.00 0.00 H new ATOM 0 HA ASP A 54 58.289 2.530 -10.388 1.00 0.00 H new ATOM 0 HB2 ASP A 54 59.781 0.959 -11.784 1.00 0.00 H new ATOM 0 HB3 ASP A 54 59.173 -0.382 -10.832 1.00 0.00 H new ATOM 866 N GLY A 55 57.752 1.106 -7.835 1.00 0.00 N ATOM 867 CA GLY A 55 56.734 0.572 -6.887 1.00 0.00 C ATOM 868 C GLY A 55 56.972 -0.921 -6.663 1.00 0.00 C ATOM 869 O GLY A 55 56.061 -1.722 -6.738 1.00 0.00 O ATOM 0 H GLY A 55 58.561 1.548 -7.399 1.00 0.00 H new ATOM 0 HA2 GLY A 55 56.791 1.106 -5.938 1.00 0.00 H new ATOM 0 HA3 GLY A 55 55.732 0.735 -7.284 1.00 0.00 H new ATOM 873 N THR A 56 58.187 -1.304 -6.381 1.00 0.00 N ATOM 874 CA THR A 56 58.475 -2.749 -6.144 1.00 0.00 C ATOM 875 C THR A 56 58.361 -3.060 -4.649 1.00 0.00 C ATOM 876 O THR A 56 58.314 -2.167 -3.826 1.00 0.00 O ATOM 877 CB THR A 56 59.906 -2.965 -6.643 1.00 0.00 C ATOM 878 OG1 THR A 56 60.432 -1.741 -7.130 1.00 0.00 O ATOM 879 CG2 THR A 56 59.903 -4.000 -7.770 1.00 0.00 C ATOM 0 H THR A 56 58.991 -0.682 -6.304 1.00 0.00 H new ATOM 0 HA THR A 56 57.774 -3.405 -6.660 1.00 0.00 H new ATOM 0 HB THR A 56 60.524 -3.323 -5.820 1.00 0.00 H new ATOM 0 HG1 THR A 56 61.311 -1.900 -7.534 1.00 0.00 H new ATOM 0 HG21 THR A 56 60.922 -4.154 -8.125 1.00 0.00 H new ATOM 0 HG22 THR A 56 59.502 -4.943 -7.397 1.00 0.00 H new ATOM 0 HG23 THR A 56 59.282 -3.642 -8.591 1.00 0.00 H new ATOM 887 N GLU A 57 58.308 -4.312 -4.286 1.00 0.00 N ATOM 888 CA GLU A 57 58.191 -4.658 -2.840 1.00 0.00 C ATOM 889 C GLU A 57 59.397 -5.483 -2.386 1.00 0.00 C ATOM 890 O GLU A 57 59.730 -6.494 -2.972 1.00 0.00 O ATOM 891 CB GLU A 57 56.907 -5.479 -2.727 1.00 0.00 C ATOM 892 CG GLU A 57 57.070 -6.793 -3.491 1.00 0.00 C ATOM 893 CD GLU A 57 57.330 -7.933 -2.504 1.00 0.00 C ATOM 894 OE1 GLU A 57 56.410 -8.297 -1.791 1.00 0.00 O ATOM 895 OE2 GLU A 57 58.447 -8.423 -2.476 1.00 0.00 O ATOM 0 H GLU A 57 58.340 -5.107 -4.924 1.00 0.00 H new ATOM 0 HA GLU A 57 58.163 -3.769 -2.210 1.00 0.00 H new ATOM 0 HB2 GLU A 57 56.683 -5.681 -1.679 1.00 0.00 H new ATOM 0 HB3 GLU A 57 56.066 -4.915 -3.129 1.00 0.00 H new ATOM 0 HG2 GLU A 57 56.172 -7.000 -4.073 1.00 0.00 H new ATOM 0 HG3 GLU A 57 57.897 -6.714 -4.197 1.00 0.00 H new ATOM 902 N VAL A 58 60.052 -5.054 -1.343 1.00 0.00 N ATOM 903 CA VAL A 58 61.237 -5.804 -0.843 1.00 0.00 C ATOM 904 C VAL A 58 61.302 -5.730 0.686 1.00 0.00 C ATOM 905 O VAL A 58 60.470 -5.114 1.322 1.00 0.00 O ATOM 906 CB VAL A 58 62.439 -5.094 -1.461 1.00 0.00 C ATOM 907 CG1 VAL A 58 63.691 -5.952 -1.277 1.00 0.00 C ATOM 908 CG2 VAL A 58 62.189 -4.873 -2.954 1.00 0.00 C ATOM 0 H VAL A 58 59.817 -4.214 -0.814 1.00 0.00 H new ATOM 0 HA VAL A 58 61.202 -6.860 -1.110 1.00 0.00 H new ATOM 0 HB VAL A 58 62.583 -4.132 -0.969 1.00 0.00 H new ATOM 0 HG11 VAL A 58 64.548 -5.444 -1.719 1.00 0.00 H new ATOM 0 HG12 VAL A 58 63.871 -6.110 -0.214 1.00 0.00 H new ATOM 0 HG13 VAL A 58 63.548 -6.915 -1.767 1.00 0.00 H new ATOM 0 HG21 VAL A 58 63.047 -4.366 -3.395 1.00 0.00 H new ATOM 0 HG22 VAL A 58 62.044 -5.835 -3.445 1.00 0.00 H new ATOM 0 HG23 VAL A 58 61.298 -4.260 -3.087 1.00 0.00 H new ATOM 918 N THR A 59 62.284 -6.352 1.280 1.00 0.00 N ATOM 919 CA THR A 59 62.401 -6.312 2.766 1.00 0.00 C ATOM 920 C THR A 59 63.866 -6.131 3.174 1.00 0.00 C ATOM 921 O THR A 59 64.771 -6.418 2.416 1.00 0.00 O ATOM 922 CB THR A 59 61.872 -7.666 3.242 1.00 0.00 C ATOM 923 OG1 THR A 59 62.478 -8.705 2.483 1.00 0.00 O ATOM 924 CG2 THR A 59 60.355 -7.716 3.058 1.00 0.00 C ATOM 0 H THR A 59 63.010 -6.886 0.801 1.00 0.00 H new ATOM 0 HA THR A 59 61.845 -5.483 3.204 1.00 0.00 H new ATOM 0 HB THR A 59 62.113 -7.799 4.297 1.00 0.00 H new ATOM 0 HG1 THR A 59 62.141 -9.573 2.789 1.00 0.00 H new ATOM 0 HG21 THR A 59 59.979 -8.681 3.397 1.00 0.00 H new ATOM 0 HG22 THR A 59 59.891 -6.920 3.641 1.00 0.00 H new ATOM 0 HG23 THR A 59 60.112 -7.582 2.004 1.00 0.00 H new ATOM 932 N ASP A 60 64.107 -5.654 4.366 1.00 0.00 N ATOM 933 CA ASP A 60 65.512 -5.453 4.817 1.00 0.00 C ATOM 934 C ASP A 60 66.255 -6.793 4.852 1.00 0.00 C ATOM 935 O ASP A 60 67.461 -6.841 4.992 1.00 0.00 O ATOM 936 CB ASP A 60 65.399 -4.861 6.224 1.00 0.00 C ATOM 937 CG ASP A 60 64.618 -5.824 7.120 1.00 0.00 C ATOM 938 OD1 ASP A 60 64.972 -6.991 7.154 1.00 0.00 O ATOM 939 OD2 ASP A 60 63.678 -5.378 7.758 1.00 0.00 O ATOM 0 H ASP A 60 63.391 -5.395 5.045 1.00 0.00 H new ATOM 0 HA ASP A 60 66.071 -4.800 4.146 1.00 0.00 H new ATOM 0 HB2 ASP A 60 66.392 -4.687 6.638 1.00 0.00 H new ATOM 0 HB3 ASP A 60 64.896 -3.895 6.185 1.00 0.00 H new ATOM 944 N ASP A 61 65.544 -7.881 4.728 1.00 0.00 N ATOM 945 CA ASP A 61 66.211 -9.214 4.755 1.00 0.00 C ATOM 946 C ASP A 61 66.243 -9.822 3.351 1.00 0.00 C ATOM 947 O ASP A 61 66.833 -10.861 3.129 1.00 0.00 O ATOM 948 CB ASP A 61 65.348 -10.067 5.685 1.00 0.00 C ATOM 949 CG ASP A 61 66.206 -11.166 6.312 1.00 0.00 C ATOM 950 OD1 ASP A 61 66.494 -12.132 5.624 1.00 0.00 O ATOM 951 OD2 ASP A 61 66.562 -11.023 7.470 1.00 0.00 O ATOM 0 H ASP A 61 64.531 -7.904 4.609 1.00 0.00 H new ATOM 0 HA ASP A 61 67.244 -9.150 5.096 1.00 0.00 H new ATOM 0 HB2 ASP A 61 64.910 -9.444 6.465 1.00 0.00 H new ATOM 0 HB3 ASP A 61 64.522 -10.509 5.128 1.00 0.00 H new ATOM 956 N CYS A 62 65.614 -9.186 2.402 1.00 0.00 N ATOM 957 CA CYS A 62 65.611 -9.735 1.016 1.00 0.00 C ATOM 958 C CYS A 62 66.678 -9.042 0.164 1.00 0.00 C ATOM 959 O CYS A 62 67.455 -9.685 -0.512 1.00 0.00 O ATOM 960 CB CYS A 62 64.213 -9.437 0.475 1.00 0.00 C ATOM 961 SG CYS A 62 64.140 -9.876 -1.280 1.00 0.00 S ATOM 0 H CYS A 62 65.103 -8.312 2.525 1.00 0.00 H new ATOM 0 HA CYS A 62 65.838 -10.801 0.996 1.00 0.00 H new ATOM 0 HB2 CYS A 62 63.467 -10.002 1.034 1.00 0.00 H new ATOM 0 HB3 CYS A 62 63.978 -8.381 0.607 1.00 0.00 H new ATOM 0 HG CYS A 62 62.951 -9.625 -1.741 1.00 0.00 H new ATOM 967 N PHE A 63 66.720 -7.737 0.191 1.00 0.00 N ATOM 968 CA PHE A 63 67.736 -7.003 -0.621 1.00 0.00 C ATOM 969 C PHE A 63 69.090 -7.713 -0.554 1.00 0.00 C ATOM 970 O PHE A 63 69.818 -7.576 0.410 1.00 0.00 O ATOM 971 CB PHE A 63 67.823 -5.616 0.016 1.00 0.00 C ATOM 972 CG PHE A 63 66.703 -4.757 -0.517 1.00 0.00 C ATOM 973 CD1 PHE A 63 66.485 -4.674 -1.897 1.00 0.00 C ATOM 974 CD2 PHE A 63 65.878 -4.051 0.366 1.00 0.00 C ATOM 975 CE1 PHE A 63 65.443 -3.883 -2.394 1.00 0.00 C ATOM 976 CE2 PHE A 63 64.835 -3.262 -0.131 1.00 0.00 C ATOM 977 CZ PHE A 63 64.618 -3.178 -1.511 1.00 0.00 C ATOM 0 H PHE A 63 66.095 -7.147 0.740 1.00 0.00 H new ATOM 0 HA PHE A 63 67.462 -6.952 -1.675 1.00 0.00 H new ATOM 0 HB2 PHE A 63 67.752 -5.695 1.101 1.00 0.00 H new ATOM 0 HB3 PHE A 63 68.787 -5.159 -0.208 1.00 0.00 H new ATOM 0 HD1 PHE A 63 67.121 -5.220 -2.578 1.00 0.00 H new ATOM 0 HD2 PHE A 63 66.046 -4.115 1.431 1.00 0.00 H new ATOM 0 HE1 PHE A 63 65.276 -3.817 -3.459 1.00 0.00 H new ATOM 0 HE2 PHE A 63 64.197 -2.718 0.550 1.00 0.00 H new ATOM 0 HZ PHE A 63 63.813 -2.569 -1.895 1.00 0.00 H new ATOM 987 N PRO A 64 69.380 -8.453 -1.589 1.00 0.00 N ATOM 988 CA PRO A 64 70.656 -9.200 -1.659 1.00 0.00 C ATOM 989 C PRO A 64 71.799 -8.268 -2.069 1.00 0.00 C ATOM 990 O PRO A 64 72.846 -8.243 -1.453 1.00 0.00 O ATOM 991 CB PRO A 64 70.396 -10.250 -2.734 1.00 0.00 C ATOM 992 CG PRO A 64 69.316 -9.676 -3.601 1.00 0.00 C ATOM 993 CD PRO A 64 68.553 -8.662 -2.782 1.00 0.00 C ATOM 0 HA PRO A 64 70.951 -9.638 -0.705 1.00 0.00 H new ATOM 0 HB2 PRO A 64 71.298 -10.452 -3.312 1.00 0.00 H new ATOM 0 HB3 PRO A 64 70.083 -11.196 -2.291 1.00 0.00 H new ATOM 0 HG2 PRO A 64 69.746 -9.206 -4.485 1.00 0.00 H new ATOM 0 HG3 PRO A 64 68.649 -10.464 -3.951 1.00 0.00 H new ATOM 0 HD2 PRO A 64 68.411 -7.733 -3.334 1.00 0.00 H new ATOM 0 HD3 PRO A 64 67.562 -9.031 -2.518 1.00 0.00 H new ATOM 1001 N GLY A 65 71.606 -7.499 -3.106 1.00 0.00 N ATOM 1002 CA GLY A 65 72.680 -6.569 -3.554 1.00 0.00 C ATOM 1003 C GLY A 65 72.105 -5.567 -4.556 1.00 0.00 C ATOM 1004 O GLY A 65 72.415 -5.602 -5.730 1.00 0.00 O ATOM 0 H GLY A 65 70.751 -7.475 -3.662 1.00 0.00 H new ATOM 0 HA2 GLY A 65 73.100 -6.042 -2.697 1.00 0.00 H new ATOM 0 HA3 GLY A 65 73.494 -7.131 -4.012 1.00 0.00 H new ATOM 1008 N LEU A 66 71.270 -4.671 -4.102 1.00 0.00 N ATOM 1009 CA LEU A 66 70.680 -3.668 -5.033 1.00 0.00 C ATOM 1010 C LEU A 66 71.776 -3.036 -5.890 1.00 0.00 C ATOM 1011 O LEU A 66 72.942 -3.095 -5.552 1.00 0.00 O ATOM 1012 CB LEU A 66 70.038 -2.614 -4.129 1.00 0.00 C ATOM 1013 CG LEU A 66 68.903 -3.248 -3.325 1.00 0.00 C ATOM 1014 CD1 LEU A 66 69.031 -2.844 -1.855 1.00 0.00 C ATOM 1015 CD2 LEU A 66 67.558 -2.761 -3.870 1.00 0.00 C ATOM 0 H LEU A 66 70.972 -4.591 -3.130 1.00 0.00 H new ATOM 0 HA LEU A 66 69.957 -4.116 -5.715 1.00 0.00 H new ATOM 0 HB2 LEU A 66 70.785 -2.196 -3.454 1.00 0.00 H new ATOM 0 HB3 LEU A 66 69.654 -1.790 -4.730 1.00 0.00 H new ATOM 0 HG LEU A 66 68.960 -4.333 -3.411 1.00 0.00 H new ATOM 0 HD11 LEU A 66 68.222 -3.296 -1.282 1.00 0.00 H new ATOM 0 HD12 LEU A 66 69.989 -3.189 -1.465 1.00 0.00 H new ATOM 0 HD13 LEU A 66 68.974 -1.759 -1.770 1.00 0.00 H new ATOM 0 HD21 LEU A 66 66.748 -3.213 -3.297 1.00 0.00 H new ATOM 0 HD22 LEU A 66 67.502 -1.676 -3.784 1.00 0.00 H new ATOM 0 HD23 LEU A 66 67.465 -3.047 -4.918 1.00 0.00 H new ATOM 1027 N PRO A 67 71.359 -2.445 -6.972 1.00 0.00 N ATOM 1028 CA PRO A 67 72.309 -1.782 -7.896 1.00 0.00 C ATOM 1029 C PRO A 67 72.840 -0.491 -7.268 1.00 0.00 C ATOM 1030 O PRO A 67 72.668 -0.248 -6.090 1.00 0.00 O ATOM 1031 CB PRO A 67 71.460 -1.481 -9.127 1.00 0.00 C ATOM 1032 CG PRO A 67 70.054 -1.416 -8.621 1.00 0.00 C ATOM 1033 CD PRO A 67 69.971 -2.338 -7.434 1.00 0.00 C ATOM 0 HA PRO A 67 73.182 -2.391 -8.129 1.00 0.00 H new ATOM 0 HB2 PRO A 67 71.757 -0.540 -9.591 1.00 0.00 H new ATOM 0 HB3 PRO A 67 71.572 -2.258 -9.883 1.00 0.00 H new ATOM 0 HG2 PRO A 67 69.793 -0.397 -8.337 1.00 0.00 H new ATOM 0 HG3 PRO A 67 69.351 -1.721 -9.396 1.00 0.00 H new ATOM 0 HD2 PRO A 67 69.322 -1.933 -6.658 1.00 0.00 H new ATOM 0 HD3 PRO A 67 69.566 -3.311 -7.712 1.00 0.00 H new ATOM 1041 N ASN A 68 73.484 0.337 -8.042 1.00 0.00 N ATOM 1042 CA ASN A 68 74.021 1.609 -7.480 1.00 0.00 C ATOM 1043 C ASN A 68 72.874 2.560 -7.140 1.00 0.00 C ATOM 1044 O ASN A 68 71.867 2.607 -7.820 1.00 0.00 O ATOM 1045 CB ASN A 68 74.898 2.194 -8.586 1.00 0.00 C ATOM 1046 CG ASN A 68 75.895 3.180 -7.975 1.00 0.00 C ATOM 1047 OD1 ASN A 68 76.519 2.890 -6.974 1.00 0.00 O ATOM 1048 ND2 ASN A 68 76.073 4.343 -8.540 1.00 0.00 N ATOM 0 H ASN A 68 73.662 0.190 -9.036 1.00 0.00 H new ATOM 0 HA ASN A 68 74.583 1.450 -6.560 1.00 0.00 H new ATOM 0 HB2 ASN A 68 75.430 1.396 -9.104 1.00 0.00 H new ATOM 0 HB3 ASN A 68 74.279 2.698 -9.328 1.00 0.00 H new ATOM 0 HD21 ASN A 68 76.736 5.008 -8.141 1.00 0.00 H new ATOM 0 HD22 ASN A 68 75.549 4.587 -9.381 1.00 0.00 H new ATOM 1055 N ASP A 69 73.016 3.314 -6.087 1.00 0.00 N ATOM 1056 CA ASP A 69 71.933 4.257 -5.695 1.00 0.00 C ATOM 1057 C ASP A 69 70.627 3.495 -5.490 1.00 0.00 C ATOM 1058 O ASP A 69 69.552 3.991 -5.758 1.00 0.00 O ATOM 1059 CB ASP A 69 71.809 5.237 -6.862 1.00 0.00 C ATOM 1060 CG ASP A 69 70.905 6.401 -6.456 1.00 0.00 C ATOM 1061 OD1 ASP A 69 70.225 6.274 -5.451 1.00 0.00 O ATOM 1062 OD2 ASP A 69 70.907 7.400 -7.157 1.00 0.00 O ATOM 0 H ASP A 69 73.836 3.318 -5.480 1.00 0.00 H new ATOM 0 HA ASP A 69 72.152 4.772 -4.760 1.00 0.00 H new ATOM 0 HB2 ASP A 69 72.794 5.609 -7.145 1.00 0.00 H new ATOM 0 HB3 ASP A 69 71.397 4.730 -7.735 1.00 0.00 H new ATOM 1067 N ALA A 70 70.720 2.291 -5.009 1.00 0.00 N ATOM 1068 CA ALA A 70 69.487 1.485 -4.776 1.00 0.00 C ATOM 1069 C ALA A 70 68.426 2.344 -4.082 1.00 0.00 C ATOM 1070 O ALA A 70 68.487 2.582 -2.892 1.00 0.00 O ATOM 1071 CB ALA A 70 69.926 0.339 -3.866 1.00 0.00 C ATOM 0 H ALA A 70 71.595 1.827 -4.766 1.00 0.00 H new ATOM 0 HA ALA A 70 69.049 1.120 -5.705 1.00 0.00 H new ATOM 0 HB1 ALA A 70 69.071 -0.301 -3.648 1.00 0.00 H new ATOM 0 HB2 ALA A 70 70.699 -0.246 -4.364 1.00 0.00 H new ATOM 0 HB3 ALA A 70 70.322 0.745 -2.935 1.00 0.00 H new ATOM 1077 N GLU A 71 67.457 2.816 -4.818 1.00 0.00 N ATOM 1078 CA GLU A 71 66.399 3.665 -4.200 1.00 0.00 C ATOM 1079 C GLU A 71 65.388 2.794 -3.447 1.00 0.00 C ATOM 1080 O GLU A 71 64.626 2.055 -4.040 1.00 0.00 O ATOM 1081 CB GLU A 71 65.729 4.376 -5.374 1.00 0.00 C ATOM 1082 CG GLU A 71 65.763 5.886 -5.139 1.00 0.00 C ATOM 1083 CD GLU A 71 65.429 6.615 -6.442 1.00 0.00 C ATOM 1084 OE1 GLU A 71 65.563 6.005 -7.489 1.00 0.00 O ATOM 1085 OE2 GLU A 71 65.044 7.771 -6.370 1.00 0.00 O ATOM 0 H GLU A 71 67.352 2.651 -5.819 1.00 0.00 H new ATOM 0 HA GLU A 71 66.806 4.370 -3.475 1.00 0.00 H new ATOM 0 HB2 GLU A 71 66.242 4.130 -6.304 1.00 0.00 H new ATOM 0 HB3 GLU A 71 64.699 4.036 -5.479 1.00 0.00 H new ATOM 0 HG2 GLU A 71 65.048 6.160 -4.363 1.00 0.00 H new ATOM 0 HG3 GLU A 71 66.749 6.187 -4.784 1.00 0.00 H new ATOM 1092 N LEU A 72 65.374 2.880 -2.145 1.00 0.00 N ATOM 1093 CA LEU A 72 64.411 2.063 -1.351 1.00 0.00 C ATOM 1094 C LEU A 72 63.418 2.978 -0.631 1.00 0.00 C ATOM 1095 O LEU A 72 63.647 4.162 -0.485 1.00 0.00 O ATOM 1096 CB LEU A 72 65.273 1.309 -0.337 1.00 0.00 C ATOM 1097 CG LEU A 72 65.805 0.024 -0.972 1.00 0.00 C ATOM 1098 CD1 LEU A 72 66.413 0.342 -2.338 1.00 0.00 C ATOM 1099 CD2 LEU A 72 66.879 -0.582 -0.066 1.00 0.00 C ATOM 0 H LEU A 72 65.988 3.481 -1.596 1.00 0.00 H new ATOM 0 HA LEU A 72 63.829 1.385 -1.975 1.00 0.00 H new ATOM 0 HB2 LEU A 72 66.103 1.937 -0.012 1.00 0.00 H new ATOM 0 HB3 LEU A 72 64.686 1.072 0.550 1.00 0.00 H new ATOM 0 HG LEU A 72 64.987 -0.686 -1.096 1.00 0.00 H new ATOM 0 HD11 LEU A 72 66.792 -0.575 -2.790 1.00 0.00 H new ATOM 0 HD12 LEU A 72 65.650 0.776 -2.984 1.00 0.00 H new ATOM 0 HD13 LEU A 72 67.231 1.051 -2.216 1.00 0.00 H new ATOM 0 HD21 LEU A 72 67.260 -1.499 -0.516 1.00 0.00 H new ATOM 0 HD22 LEU A 72 67.696 0.129 0.056 1.00 0.00 H new ATOM 0 HD23 LEU A 72 66.447 -0.809 0.909 1.00 0.00 H new ATOM 1111 N LEU A 73 62.316 2.444 -0.178 1.00 0.00 N ATOM 1112 CA LEU A 73 61.318 3.294 0.533 1.00 0.00 C ATOM 1113 C LEU A 73 60.786 2.570 1.771 1.00 0.00 C ATOM 1114 O LEU A 73 60.239 1.487 1.686 1.00 0.00 O ATOM 1115 CB LEU A 73 60.195 3.526 -0.477 1.00 0.00 C ATOM 1116 CG LEU A 73 59.102 4.381 0.167 1.00 0.00 C ATOM 1117 CD1 LEU A 73 59.135 5.787 -0.434 1.00 0.00 C ATOM 1118 CD2 LEU A 73 57.735 3.746 -0.095 1.00 0.00 C ATOM 0 H LEU A 73 62.064 1.460 -0.269 1.00 0.00 H new ATOM 0 HA LEU A 73 61.753 4.232 0.878 1.00 0.00 H new ATOM 0 HB2 LEU A 73 60.586 4.024 -1.364 1.00 0.00 H new ATOM 0 HB3 LEU A 73 59.781 2.572 -0.803 1.00 0.00 H new ATOM 0 HG LEU A 73 59.274 4.441 1.242 1.00 0.00 H new ATOM 0 HD11 LEU A 73 58.357 6.397 0.024 1.00 0.00 H new ATOM 0 HD12 LEU A 73 60.108 6.240 -0.246 1.00 0.00 H new ATOM 0 HD13 LEU A 73 58.964 5.727 -1.509 1.00 0.00 H new ATOM 0 HD21 LEU A 73 56.957 4.356 0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 73 57.562 3.685 -1.169 1.00 0.00 H new ATOM 0 HD23 LEU A 73 57.711 2.744 0.333 1.00 0.00 H new ATOM 1130 N LEU A 74 60.939 3.167 2.922 1.00 0.00 N ATOM 1131 CA LEU A 74 60.442 2.529 4.171 1.00 0.00 C ATOM 1132 C LEU A 74 58.912 2.500 4.165 1.00 0.00 C ATOM 1133 O LEU A 74 58.262 3.527 4.180 1.00 0.00 O ATOM 1134 CB LEU A 74 60.961 3.422 5.297 1.00 0.00 C ATOM 1135 CG LEU A 74 61.216 2.580 6.550 1.00 0.00 C ATOM 1136 CD1 LEU A 74 62.366 1.606 6.288 1.00 0.00 C ATOM 1137 CD2 LEU A 74 61.586 3.503 7.715 1.00 0.00 C ATOM 0 H LEU A 74 61.389 4.073 3.050 1.00 0.00 H new ATOM 0 HA LEU A 74 60.780 1.499 4.281 1.00 0.00 H new ATOM 0 HB2 LEU A 74 61.881 3.917 4.987 1.00 0.00 H new ATOM 0 HB3 LEU A 74 60.236 4.206 5.516 1.00 0.00 H new ATOM 0 HG LEU A 74 60.316 2.018 6.799 1.00 0.00 H new ATOM 0 HD11 LEU A 74 62.546 1.007 7.181 1.00 0.00 H new ATOM 0 HD12 LEU A 74 62.105 0.950 5.458 1.00 0.00 H new ATOM 0 HD13 LEU A 74 63.267 2.166 6.038 1.00 0.00 H new ATOM 0 HD21 LEU A 74 61.768 2.906 8.609 1.00 0.00 H new ATOM 0 HD22 LEU A 74 62.486 4.063 7.463 1.00 0.00 H new ATOM 0 HD23 LEU A 74 60.767 4.197 7.903 1.00 0.00 H new ATOM 1149 N LEU A 75 58.333 1.334 4.140 1.00 0.00 N ATOM 1150 CA LEU A 75 56.848 1.237 4.131 1.00 0.00 C ATOM 1151 C LEU A 75 56.401 0.209 5.171 1.00 0.00 C ATOM 1152 O LEU A 75 57.168 -0.634 5.582 1.00 0.00 O ATOM 1153 CB LEU A 75 56.499 0.777 2.710 1.00 0.00 C ATOM 1154 CG LEU A 75 55.118 0.116 2.694 1.00 0.00 C ATOM 1155 CD1 LEU A 75 54.425 0.414 1.364 1.00 0.00 C ATOM 1156 CD2 LEU A 75 55.278 -1.397 2.856 1.00 0.00 C ATOM 0 H LEU A 75 58.825 0.441 4.125 1.00 0.00 H new ATOM 0 HA LEU A 75 56.353 2.176 4.380 1.00 0.00 H new ATOM 0 HB2 LEU A 75 56.510 1.629 2.031 1.00 0.00 H new ATOM 0 HB3 LEU A 75 57.251 0.074 2.352 1.00 0.00 H new ATOM 0 HG LEU A 75 54.516 0.510 3.513 1.00 0.00 H new ATOM 0 HD11 LEU A 75 53.442 -0.057 1.353 1.00 0.00 H new ATOM 0 HD12 LEU A 75 54.313 1.492 1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 75 55.026 0.020 0.544 1.00 0.00 H new ATOM 0 HD21 LEU A 75 54.296 -1.870 2.845 1.00 0.00 H new ATOM 0 HD22 LEU A 75 55.879 -1.789 2.036 1.00 0.00 H new ATOM 0 HD23 LEU A 75 55.773 -1.611 3.803 1.00 0.00 H new ATOM 1168 N THR A 76 55.175 0.273 5.609 1.00 0.00 N ATOM 1169 CA THR A 76 54.705 -0.710 6.626 1.00 0.00 C ATOM 1170 C THR A 76 53.212 -0.982 6.445 1.00 0.00 C ATOM 1171 O THR A 76 52.543 -0.325 5.674 1.00 0.00 O ATOM 1172 CB THR A 76 54.974 -0.045 7.979 1.00 0.00 C ATOM 1173 OG1 THR A 76 53.960 0.914 8.241 1.00 0.00 O ATOM 1174 CG2 THR A 76 56.338 0.649 7.954 1.00 0.00 C ATOM 0 H THR A 76 54.481 0.958 5.310 1.00 0.00 H new ATOM 0 HA THR A 76 55.214 -1.670 6.539 1.00 0.00 H new ATOM 0 HB THR A 76 54.972 -0.804 8.761 1.00 0.00 H new ATOM 0 HG1 THR A 76 54.129 1.340 9.107 1.00 0.00 H new ATOM 0 HG21 THR A 76 56.524 1.120 8.919 1.00 0.00 H new ATOM 0 HG22 THR A 76 57.117 -0.087 7.753 1.00 0.00 H new ATOM 0 HG23 THR A 76 56.346 1.408 7.172 1.00 0.00 H new ATOM 1182 N ALA A 77 52.682 -1.946 7.146 1.00 0.00 N ATOM 1183 CA ALA A 77 51.231 -2.250 7.005 1.00 0.00 C ATOM 1184 C ALA A 77 50.418 -0.958 7.101 1.00 0.00 C ATOM 1185 O ALA A 77 49.323 -0.860 6.582 1.00 0.00 O ATOM 1186 CB ALA A 77 50.900 -3.185 8.170 1.00 0.00 C ATOM 0 H ALA A 77 53.189 -2.534 7.808 1.00 0.00 H new ATOM 0 HA ALA A 77 50.994 -2.708 6.044 1.00 0.00 H new ATOM 0 HB1 ALA A 77 49.844 -3.453 8.133 1.00 0.00 H new ATOM 0 HB2 ALA A 77 51.507 -4.088 8.096 1.00 0.00 H new ATOM 0 HB3 ALA A 77 51.113 -2.681 9.113 1.00 0.00 H new ATOM 1192 N GLY A 78 50.950 0.035 7.757 1.00 0.00 N ATOM 1193 CA GLY A 78 50.215 1.324 7.884 1.00 0.00 C ATOM 1194 C GLY A 78 50.606 2.247 6.729 1.00 0.00 C ATOM 1195 O GLY A 78 50.352 3.435 6.758 1.00 0.00 O ATOM 0 H GLY A 78 51.863 0.010 8.211 1.00 0.00 H new ATOM 0 HA2 GLY A 78 49.140 1.145 7.873 1.00 0.00 H new ATOM 0 HA3 GLY A 78 50.450 1.797 8.838 1.00 0.00 H new ATOM 1199 N GLU A 79 51.227 1.712 5.712 1.00 0.00 N ATOM 1200 CA GLU A 79 51.637 2.563 4.556 1.00 0.00 C ATOM 1201 C GLU A 79 51.725 1.722 3.277 1.00 0.00 C ATOM 1202 O GLU A 79 52.111 0.571 3.307 1.00 0.00 O ATOM 1203 CB GLU A 79 53.014 3.106 4.935 1.00 0.00 C ATOM 1204 CG GLU A 79 52.933 4.623 5.120 1.00 0.00 C ATOM 1205 CD GLU A 79 54.285 5.152 5.602 1.00 0.00 C ATOM 1206 OE1 GLU A 79 55.283 4.822 4.984 1.00 0.00 O ATOM 1207 OE2 GLU A 79 54.298 5.878 6.582 1.00 0.00 O ATOM 0 H GLU A 79 51.468 0.724 5.631 1.00 0.00 H new ATOM 0 HA GLU A 79 50.921 3.361 4.359 1.00 0.00 H new ATOM 0 HB2 GLU A 79 53.362 2.635 5.855 1.00 0.00 H new ATOM 0 HB3 GLU A 79 53.739 2.862 4.158 1.00 0.00 H new ATOM 0 HG2 GLU A 79 52.658 5.100 4.179 1.00 0.00 H new ATOM 0 HG3 GLU A 79 52.155 4.871 5.842 1.00 0.00 H new ATOM 1214 N THR A 80 51.368 2.290 2.156 1.00 0.00 N ATOM 1215 CA THR A 80 51.428 1.524 0.879 1.00 0.00 C ATOM 1216 C THR A 80 52.045 2.387 -0.227 1.00 0.00 C ATOM 1217 O THR A 80 51.654 3.519 -0.431 1.00 0.00 O ATOM 1218 CB THR A 80 49.972 1.199 0.552 1.00 0.00 C ATOM 1219 OG1 THR A 80 49.126 2.171 1.152 1.00 0.00 O ATOM 1220 CG2 THR A 80 49.619 -0.189 1.090 1.00 0.00 C ATOM 0 H THR A 80 51.038 3.251 2.070 1.00 0.00 H new ATOM 0 HA THR A 80 52.042 0.627 0.961 1.00 0.00 H new ATOM 0 HB THR A 80 49.833 1.211 -0.529 1.00 0.00 H new ATOM 0 HG1 THR A 80 48.191 1.965 0.942 1.00 0.00 H new ATOM 0 HG21 THR A 80 48.579 -0.417 0.855 1.00 0.00 H new ATOM 0 HG22 THR A 80 50.267 -0.934 0.628 1.00 0.00 H new ATOM 0 HG23 THR A 80 49.758 -0.207 2.171 1.00 0.00 H new ATOM 1228 N TRP A 81 53.001 1.863 -0.945 1.00 0.00 N ATOM 1229 CA TRP A 81 53.631 2.659 -2.037 1.00 0.00 C ATOM 1230 C TRP A 81 53.077 2.219 -3.395 1.00 0.00 C ATOM 1231 O TRP A 81 53.026 1.045 -3.704 1.00 0.00 O ATOM 1232 CB TRP A 81 55.127 2.361 -1.942 1.00 0.00 C ATOM 1233 CG TRP A 81 55.838 2.964 -3.114 1.00 0.00 C ATOM 1234 CD1 TRP A 81 56.845 2.373 -3.798 1.00 0.00 C ATOM 1235 CD2 TRP A 81 55.617 4.259 -3.752 1.00 0.00 C ATOM 1236 NE1 TRP A 81 57.256 3.220 -4.811 1.00 0.00 N ATOM 1237 CE2 TRP A 81 56.532 4.394 -4.824 1.00 0.00 C ATOM 1238 CE3 TRP A 81 54.723 5.319 -3.508 1.00 0.00 C ATOM 1239 CZ2 TRP A 81 56.557 5.537 -5.624 1.00 0.00 C ATOM 1240 CZ3 TRP A 81 54.748 6.471 -4.311 1.00 0.00 C ATOM 1241 CH2 TRP A 81 55.664 6.579 -5.366 1.00 0.00 C ATOM 0 H TRP A 81 53.372 0.921 -0.823 1.00 0.00 H new ATOM 0 HA TRP A 81 53.427 3.725 -1.940 1.00 0.00 H new ATOM 0 HB2 TRP A 81 55.530 2.765 -1.013 1.00 0.00 H new ATOM 0 HB3 TRP A 81 55.292 1.284 -1.919 1.00 0.00 H new ATOM 0 HD1 TRP A 81 57.260 1.399 -3.587 1.00 0.00 H new ATOM 0 HE1 TRP A 81 58.004 3.003 -5.469 1.00 0.00 H new ATOM 0 HE3 TRP A 81 54.013 5.246 -2.698 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 57.263 5.615 -6.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 54.058 7.278 -4.114 1.00 0.00 H new ATOM 0 HH2 TRP A 81 55.679 7.468 -5.979 1.00 0.00 H new ATOM 1252 N HIS A 82 52.659 3.152 -4.206 1.00 0.00 N ATOM 1253 CA HIS A 82 52.107 2.785 -5.540 1.00 0.00 C ATOM 1254 C HIS A 82 53.241 2.535 -6.537 1.00 0.00 C ATOM 1255 O HIS A 82 53.214 1.587 -7.297 1.00 0.00 O ATOM 1256 CB HIS A 82 51.273 3.992 -5.968 1.00 0.00 C ATOM 1257 CG HIS A 82 50.015 3.518 -6.643 1.00 0.00 C ATOM 1258 ND1 HIS A 82 49.410 4.232 -7.664 1.00 0.00 N ATOM 1259 CD2 HIS A 82 49.239 2.402 -6.453 1.00 0.00 C ATOM 1260 CE1 HIS A 82 48.318 3.544 -8.046 1.00 0.00 C ATOM 1261 NE2 HIS A 82 48.168 2.420 -7.340 1.00 0.00 N ATOM 0 H HIS A 82 52.676 4.151 -4.003 1.00 0.00 H new ATOM 0 HA HIS A 82 51.514 1.871 -5.502 1.00 0.00 H new ATOM 0 HB2 HIS A 82 51.025 4.602 -5.100 1.00 0.00 H new ATOM 0 HB3 HIS A 82 51.847 4.622 -6.647 1.00 0.00 H new ATOM 0 HD2 HIS A 82 49.431 1.627 -5.725 1.00 0.00 H new ATOM 0 HE1 HIS A 82 47.645 3.862 -8.828 1.00 0.00 H new ATOM 0 HE2 HIS A 82 47.427 1.725 -7.432 1.00 0.00 H new ATOM 1269 N GLY A 83 54.238 3.377 -6.543 1.00 0.00 N ATOM 1270 CA GLY A 83 55.369 3.183 -7.493 1.00 0.00 C ATOM 1271 C GLY A 83 55.673 4.502 -8.205 1.00 0.00 C ATOM 1272 O GLY A 83 55.132 5.538 -7.873 1.00 0.00 O ATOM 0 H GLY A 83 54.318 4.190 -5.932 1.00 0.00 H new ATOM 0 HA2 GLY A 83 56.252 2.836 -6.957 1.00 0.00 H new ATOM 0 HA3 GLY A 83 55.116 2.414 -8.223 1.00 0.00 H new ATOM 1276 N TYR A 84 56.537 4.472 -9.184 1.00 0.00 N ATOM 1277 CA TYR A 84 56.879 5.725 -9.917 1.00 0.00 C ATOM 1278 C TYR A 84 56.503 5.594 -11.396 1.00 0.00 C ATOM 1279 O TYR A 84 57.349 5.637 -12.267 1.00 0.00 O ATOM 1280 CB TYR A 84 58.392 5.873 -9.764 1.00 0.00 C ATOM 1281 CG TYR A 84 58.828 7.195 -10.346 1.00 0.00 C ATOM 1282 CD1 TYR A 84 58.205 8.379 -9.936 1.00 0.00 C ATOM 1283 CD2 TYR A 84 59.853 7.236 -11.298 1.00 0.00 C ATOM 1284 CE1 TYR A 84 58.608 9.605 -10.477 1.00 0.00 C ATOM 1285 CE2 TYR A 84 60.256 8.461 -11.840 1.00 0.00 C ATOM 1286 CZ TYR A 84 59.633 9.647 -11.430 1.00 0.00 C ATOM 1287 OH TYR A 84 60.031 10.856 -11.964 1.00 0.00 O ATOM 0 H TYR A 84 57.021 3.634 -9.508 1.00 0.00 H new ATOM 0 HA TYR A 84 56.341 6.589 -9.527 1.00 0.00 H new ATOM 0 HB2 TYR A 84 58.669 5.818 -8.711 1.00 0.00 H new ATOM 0 HB3 TYR A 84 58.902 5.054 -10.271 1.00 0.00 H new ATOM 0 HD1 TYR A 84 57.413 8.347 -9.202 1.00 0.00 H new ATOM 0 HD2 TYR A 84 60.333 6.322 -11.614 1.00 0.00 H new ATOM 0 HE1 TYR A 84 58.128 10.519 -10.159 1.00 0.00 H new ATOM 0 HE2 TYR A 84 61.047 8.493 -12.574 1.00 0.00 H new ATOM 0 HH TYR A 84 60.753 10.707 -12.609 1.00 0.00 H new ATOM 1297 N VAL A 85 55.241 5.430 -11.687 1.00 0.00 N ATOM 1298 CA VAL A 85 54.812 5.292 -13.104 1.00 0.00 C ATOM 1299 C VAL A 85 54.391 6.652 -13.670 1.00 0.00 C ATOM 1300 O VAL A 85 53.825 7.473 -12.977 1.00 0.00 O ATOM 1301 CB VAL A 85 53.619 4.341 -13.051 1.00 0.00 C ATOM 1302 CG1 VAL A 85 53.975 3.116 -12.208 1.00 0.00 C ATOM 1303 CG2 VAL A 85 52.423 5.061 -12.422 1.00 0.00 C ATOM 0 H VAL A 85 54.488 5.386 -11.001 1.00 0.00 H new ATOM 0 HA VAL A 85 55.610 4.920 -13.747 1.00 0.00 H new ATOM 0 HB VAL A 85 53.365 4.023 -14.062 1.00 0.00 H new ATOM 0 HG11 VAL A 85 53.122 2.439 -12.172 1.00 0.00 H new ATOM 0 HG12 VAL A 85 54.827 2.603 -12.654 1.00 0.00 H new ATOM 0 HG13 VAL A 85 54.230 3.432 -11.197 1.00 0.00 H new ATOM 0 HG21 VAL A 85 51.570 4.384 -12.383 1.00 0.00 H new ATOM 0 HG22 VAL A 85 52.680 5.379 -11.412 1.00 0.00 H new ATOM 0 HG23 VAL A 85 52.166 5.934 -13.023 1.00 0.00 H new ATOM 1313 N SER A 86 54.659 6.893 -14.925 1.00 0.00 N ATOM 1314 CA SER A 86 54.268 8.198 -15.535 1.00 0.00 C ATOM 1315 C SER A 86 53.177 7.980 -16.586 1.00 0.00 C ATOM 1316 O SER A 86 53.324 8.345 -17.734 1.00 0.00 O ATOM 1317 CB SER A 86 55.543 8.731 -16.189 1.00 0.00 C ATOM 1318 OG SER A 86 56.410 9.240 -15.184 1.00 0.00 O ATOM 0 H SER A 86 55.131 6.244 -15.554 1.00 0.00 H new ATOM 0 HA SER A 86 53.868 8.895 -14.799 1.00 0.00 H new ATOM 0 HB2 SER A 86 56.040 7.936 -16.745 1.00 0.00 H new ATOM 0 HB3 SER A 86 55.297 9.515 -16.905 1.00 0.00 H new ATOM 0 HG SER A 86 57.229 9.581 -15.600 1.00 0.00 H new ATOM 1324 N ASP A 87 52.082 7.383 -16.200 1.00 0.00 N ATOM 1325 CA ASP A 87 50.980 7.138 -17.177 1.00 0.00 C ATOM 1326 C ASP A 87 51.506 6.355 -18.382 1.00 0.00 C ATOM 1327 O ASP A 87 51.524 5.137 -18.310 1.00 0.00 O ATOM 1328 CB ASP A 87 50.509 8.528 -17.603 1.00 0.00 C ATOM 1329 CG ASP A 87 49.353 8.972 -16.706 1.00 0.00 C ATOM 1330 OD1 ASP A 87 49.281 8.493 -15.587 1.00 0.00 O ATOM 1331 OD2 ASP A 87 48.560 9.784 -17.154 1.00 0.00 O ATOM 1332 OXT ASP A 87 51.883 6.986 -19.356 1.00 0.00 O ATOM 0 H ASP A 87 51.902 7.054 -15.251 1.00 0.00 H new ATOM 0 HA ASP A 87 50.170 6.550 -16.746 1.00 0.00 H new ATOM 0 HB2 ASP A 87 51.332 9.240 -17.533 1.00 0.00 H new ATOM 0 HB3 ASP A 87 50.189 8.512 -18.645 1.00 0.00 H new TER 1337 ASP A 87