USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 716 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 ASN : amide:sc= -2.08! C(o=-3.4!,f=-8.9!) USER MOD Set 1.2: A 55 ASN : amide:sc= -1.34! K(o=-3.4!,f=-2) USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.104 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 12:sc= 0.532 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 161:sc= -0.134 (180deg=-0.349) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc=-0.00588 (180deg=-0.00588) USER MOD Single : A 28 THR OG1 : rot 153:sc= -3.16 USER MOD Single : A 38 HIS : no HD1:sc= -2.73! K(o=-2.7!,f=-1) USER MOD Single : A 39 TYR OH : rot 180:sc= -1.28 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 49 ASN : amide:sc= -0.1 X(o=-0.1,f=-0.59) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 22:sc= -0.781 USER MOD Single : A 61 GLN : amide:sc= -0.458 K(o=-0.46,f=-3.2!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.143 USER MOD Single : A 73 MET CE :methyl -130:sc= -0.0947 (180deg=-0.56) USER MOD Single : A 75 SER OG : rot -140:sc= -0.883 USER MOD Single : A 76 GLN : amide:sc= -0.0909 K(o=-0.091,f=-1.2!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 68:sc= 1.01 USER MOD Single : A 80 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-0.25) USER MOD Single : A 81 HIS : no HD1:sc= -3.87! C(o=-3.9!,f=-6.1!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.737 -7.053 -14.610 1.00 0.00 N ATOM 2 CA GLY A 1 -8.065 -7.380 -15.101 1.00 0.00 C ATOM 3 C GLY A 1 -8.938 -7.951 -13.981 1.00 0.00 C ATOM 4 O GLY A 1 -8.428 -8.362 -12.940 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.601 -6.022 -14.637 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.636 -7.390 -13.631 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.022 -7.512 -15.210 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.534 -6.487 -15.513 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.989 -8.104 -15.913 1.00 0.00 H new ATOM 8 N SER A 2 -10.238 -7.958 -14.234 1.00 0.00 N ATOM 9 CA SER A 2 -11.187 -8.472 -13.260 1.00 0.00 C ATOM 10 C SER A 2 -11.501 -9.939 -13.559 1.00 0.00 C ATOM 11 O SER A 2 -11.501 -10.354 -14.717 1.00 0.00 O ATOM 12 CB SER A 2 -12.474 -7.645 -13.256 1.00 0.00 C ATOM 13 OG SER A 2 -13.559 -8.349 -12.659 1.00 0.00 O ATOM 0 H SER A 2 -10.657 -7.616 -15.099 1.00 0.00 H new ATOM 0 HA SER A 2 -10.736 -8.398 -12.271 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.305 -6.714 -12.715 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.735 -7.376 -14.280 1.00 0.00 H new ATOM 0 HG SER A 2 -14.362 -7.787 -12.674 1.00 0.00 H new ATOM 19 N SER A 3 -11.760 -10.685 -12.495 1.00 0.00 N ATOM 20 CA SER A 3 -12.075 -12.097 -12.629 1.00 0.00 C ATOM 21 C SER A 3 -12.919 -12.560 -11.440 1.00 0.00 C ATOM 22 O SER A 3 -12.965 -11.891 -10.409 1.00 0.00 O ATOM 23 CB SER A 3 -10.801 -12.937 -12.735 1.00 0.00 C ATOM 24 OG SER A 3 -10.182 -12.810 -14.012 1.00 0.00 O ATOM 0 H SER A 3 -11.758 -10.338 -11.536 1.00 0.00 H new ATOM 0 HA SER A 3 -12.646 -12.235 -13.547 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.099 -12.630 -11.960 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.041 -13.984 -12.551 1.00 0.00 H new ATOM 0 HG SER A 3 -10.586 -12.062 -14.499 1.00 0.00 H new ATOM 30 N GLY A 4 -13.565 -13.702 -11.623 1.00 0.00 N ATOM 31 CA GLY A 4 -14.404 -14.263 -10.578 1.00 0.00 C ATOM 32 C GLY A 4 -13.586 -15.140 -9.628 1.00 0.00 C ATOM 33 O GLY A 4 -12.528 -15.646 -10.001 1.00 0.00 O ATOM 0 H GLY A 4 -13.524 -14.254 -12.480 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.879 -13.458 -10.017 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.203 -14.854 -11.026 1.00 0.00 H new ATOM 37 N SER A 5 -14.106 -15.293 -8.419 1.00 0.00 N ATOM 38 CA SER A 5 -13.436 -16.100 -7.413 1.00 0.00 C ATOM 39 C SER A 5 -14.237 -16.080 -6.109 1.00 0.00 C ATOM 40 O SER A 5 -14.213 -15.091 -5.377 1.00 0.00 O ATOM 41 CB SER A 5 -12.010 -15.603 -7.168 1.00 0.00 C ATOM 42 OG SER A 5 -11.082 -16.678 -7.055 1.00 0.00 O ATOM 0 H SER A 5 -14.983 -14.872 -8.113 1.00 0.00 H new ATOM 0 HA SER A 5 -13.376 -17.125 -7.780 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.709 -14.948 -7.986 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.986 -15.006 -6.256 1.00 0.00 H new ATOM 0 HG SER A 5 -10.183 -16.319 -6.901 1.00 0.00 H new ATOM 48 N SER A 6 -14.925 -17.183 -5.858 1.00 0.00 N ATOM 49 CA SER A 6 -15.731 -17.305 -4.655 1.00 0.00 C ATOM 50 C SER A 6 -14.917 -16.875 -3.434 1.00 0.00 C ATOM 51 O SER A 6 -15.282 -15.926 -2.742 1.00 0.00 O ATOM 52 CB SER A 6 -16.241 -18.737 -4.476 1.00 0.00 C ATOM 53 OG SER A 6 -17.638 -18.776 -4.199 1.00 0.00 O ATOM 0 H SER A 6 -14.941 -18.001 -6.467 1.00 0.00 H new ATOM 0 HA SER A 6 -16.596 -16.650 -4.756 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.035 -19.311 -5.379 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.697 -19.217 -3.662 1.00 0.00 H new ATOM 0 HG SER A 6 -17.925 -19.707 -4.093 1.00 0.00 H new ATOM 59 N GLY A 7 -13.827 -17.594 -3.206 1.00 0.00 N ATOM 60 CA GLY A 7 -12.958 -17.298 -2.080 1.00 0.00 C ATOM 61 C GLY A 7 -12.216 -15.977 -2.292 1.00 0.00 C ATOM 62 O GLY A 7 -12.231 -15.422 -3.390 1.00 0.00 O ATOM 0 H GLY A 7 -13.526 -18.380 -3.782 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.548 -17.245 -1.165 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.239 -18.106 -1.949 1.00 0.00 H new ATOM 66 N VAL A 8 -11.585 -15.511 -1.224 1.00 0.00 N ATOM 67 CA VAL A 8 -10.839 -14.266 -1.279 1.00 0.00 C ATOM 68 C VAL A 8 -9.802 -14.347 -2.401 1.00 0.00 C ATOM 69 O VAL A 8 -9.378 -15.437 -2.782 1.00 0.00 O ATOM 70 CB VAL A 8 -10.220 -13.965 0.087 1.00 0.00 C ATOM 71 CG1 VAL A 8 -11.297 -13.884 1.171 1.00 0.00 C ATOM 72 CG2 VAL A 8 -9.157 -15.004 0.448 1.00 0.00 C ATOM 0 H VAL A 8 -11.575 -15.974 -0.315 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.503 -13.433 -1.510 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.731 -12.993 0.026 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.830 -13.669 2.132 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -12.002 -13.090 0.925 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.827 -14.835 1.229 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.733 -14.767 1.424 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.612 -15.994 0.481 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.367 -14.993 -0.303 1.00 0.00 H new ATOM 82 N PRO A 9 -9.411 -13.148 -2.911 1.00 0.00 N ATOM 83 CA PRO A 9 -8.431 -13.074 -3.981 1.00 0.00 C ATOM 84 C PRO A 9 -7.021 -13.347 -3.453 1.00 0.00 C ATOM 85 O PRO A 9 -6.705 -13.010 -2.313 1.00 0.00 O ATOM 86 CB PRO A 9 -8.588 -11.678 -4.561 1.00 0.00 C ATOM 87 CG PRO A 9 -9.318 -10.866 -3.504 1.00 0.00 C ATOM 88 CD PRO A 9 -9.891 -11.837 -2.484 1.00 0.00 C ATOM 0 HA PRO A 9 -8.589 -13.831 -4.750 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -7.617 -11.239 -4.789 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.153 -11.704 -5.493 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.636 -10.165 -3.023 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.114 -10.276 -3.958 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.550 -11.599 -1.476 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.980 -11.799 -2.470 1.00 0.00 H new ATOM 96 N GLU A 10 -6.212 -13.955 -4.308 1.00 0.00 N ATOM 97 CA GLU A 10 -4.843 -14.278 -3.942 1.00 0.00 C ATOM 98 C GLU A 10 -4.240 -13.153 -3.099 1.00 0.00 C ATOM 99 O GLU A 10 -4.103 -12.024 -3.569 1.00 0.00 O ATOM 100 CB GLU A 10 -3.992 -14.547 -5.185 1.00 0.00 C ATOM 101 CG GLU A 10 -2.662 -15.202 -4.807 1.00 0.00 C ATOM 102 CD GLU A 10 -1.618 -14.995 -5.906 1.00 0.00 C ATOM 103 OE1 GLU A 10 -2.044 -14.751 -7.056 1.00 0.00 O ATOM 104 OE2 GLU A 10 -0.417 -15.085 -5.572 1.00 0.00 O ATOM 0 H GLU A 10 -6.478 -14.232 -5.253 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.853 -15.189 -3.344 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.538 -15.194 -5.871 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.804 -13.611 -5.711 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.298 -14.780 -3.870 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.812 -16.268 -4.639 1.00 0.00 H new ATOM 111 N LYS A 11 -3.896 -13.499 -1.867 1.00 0.00 N ATOM 112 CA LYS A 11 -3.311 -12.532 -0.953 1.00 0.00 C ATOM 113 C LYS A 11 -1.819 -12.829 -0.791 1.00 0.00 C ATOM 114 O LYS A 11 -1.273 -13.686 -1.485 1.00 0.00 O ATOM 115 CB LYS A 11 -4.081 -12.510 0.368 1.00 0.00 C ATOM 116 CG LYS A 11 -4.449 -13.927 0.813 1.00 0.00 C ATOM 117 CD LYS A 11 -5.063 -13.920 2.214 1.00 0.00 C ATOM 118 CE LYS A 11 -6.523 -14.375 2.175 1.00 0.00 C ATOM 119 NZ LYS A 11 -6.614 -15.843 2.335 1.00 0.00 N ATOM 0 H LYS A 11 -4.011 -14.436 -1.480 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.394 -11.524 -1.360 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.477 -12.029 1.137 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.987 -11.914 0.255 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.154 -14.363 0.105 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.559 -14.557 0.805 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.491 -14.577 2.869 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.002 -12.917 2.637 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.085 -13.882 2.968 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.977 -14.078 1.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.578 -16.101 2.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.390 -16.305 1.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.938 -16.156 3.061 1.00 0.00 H new ATOM 133 N PHE A 12 -1.201 -12.104 0.130 1.00 0.00 N ATOM 134 CA PHE A 12 0.218 -12.279 0.392 1.00 0.00 C ATOM 135 C PHE A 12 0.561 -11.893 1.833 1.00 0.00 C ATOM 136 O PHE A 12 -0.039 -10.977 2.393 1.00 0.00 O ATOM 137 CB PHE A 12 0.967 -11.349 -0.564 1.00 0.00 C ATOM 138 CG PHE A 12 0.400 -11.329 -1.985 1.00 0.00 C ATOM 139 CD1 PHE A 12 -0.570 -10.436 -2.317 1.00 0.00 C ATOM 140 CD2 PHE A 12 0.866 -12.204 -2.916 1.00 0.00 C ATOM 141 CE1 PHE A 12 -1.097 -10.417 -3.636 1.00 0.00 C ATOM 142 CE2 PHE A 12 0.340 -12.185 -4.234 1.00 0.00 C ATOM 143 CZ PHE A 12 -0.631 -11.292 -4.566 1.00 0.00 C ATOM 0 H PHE A 12 -1.657 -11.394 0.704 1.00 0.00 H new ATOM 0 HA PHE A 12 0.497 -13.323 0.247 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.945 -10.336 -0.161 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.013 -11.653 -0.605 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.940 -9.741 -1.578 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.636 -12.913 -2.652 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -1.868 -9.708 -3.900 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.711 -12.880 -4.973 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.032 -11.278 -5.569 1.00 0.00 H new ATOM 153 N LYS A 13 1.524 -12.612 2.390 1.00 0.00 N ATOM 154 CA LYS A 13 1.953 -12.357 3.755 1.00 0.00 C ATOM 155 C LYS A 13 2.798 -11.082 3.789 1.00 0.00 C ATOM 156 O LYS A 13 3.481 -10.759 2.818 1.00 0.00 O ATOM 157 CB LYS A 13 2.667 -13.582 4.330 1.00 0.00 C ATOM 158 CG LYS A 13 2.731 -13.513 5.857 1.00 0.00 C ATOM 159 CD LYS A 13 4.017 -14.155 6.382 1.00 0.00 C ATOM 160 CE LYS A 13 3.841 -15.664 6.563 1.00 0.00 C ATOM 161 NZ LYS A 13 4.820 -16.186 7.542 1.00 0.00 N ATOM 0 H LYS A 13 2.019 -13.371 1.922 1.00 0.00 H new ATOM 0 HA LYS A 13 1.091 -12.187 4.400 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.144 -14.488 4.025 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.676 -13.644 3.923 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.681 -12.473 6.180 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.866 -14.021 6.284 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.834 -13.961 5.688 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.293 -13.700 7.334 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.828 -15.880 6.902 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.971 -16.169 5.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.687 -17.211 7.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.785 -15.997 7.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.677 -15.717 8.459 1.00 0.00 H new ATOM 175 N LEU A 14 2.723 -10.390 4.917 1.00 0.00 N ATOM 176 CA LEU A 14 3.472 -9.157 5.090 1.00 0.00 C ATOM 177 C LEU A 14 4.771 -9.456 5.840 1.00 0.00 C ATOM 178 O LEU A 14 4.794 -10.295 6.739 1.00 0.00 O ATOM 179 CB LEU A 14 2.603 -8.093 5.764 1.00 0.00 C ATOM 180 CG LEU A 14 1.479 -7.504 4.909 1.00 0.00 C ATOM 181 CD1 LEU A 14 0.128 -8.117 5.282 1.00 0.00 C ATOM 182 CD2 LEU A 14 1.461 -5.977 5.003 1.00 0.00 C ATOM 0 H LEU A 14 2.155 -10.660 5.720 1.00 0.00 H new ATOM 0 HA LEU A 14 3.751 -8.741 4.122 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.161 -8.528 6.660 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.249 -7.278 6.091 1.00 0.00 H new ATOM 0 HG LEU A 14 1.672 -7.760 3.867 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.654 -7.681 4.660 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.161 -9.195 5.122 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.087 -7.913 6.331 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.653 -5.584 4.386 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.305 -5.678 6.039 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.413 -5.580 4.650 1.00 0.00 H new ATOM 194 N SER A 15 5.821 -8.753 5.443 1.00 0.00 N ATOM 195 CA SER A 15 7.121 -8.932 6.066 1.00 0.00 C ATOM 196 C SER A 15 7.132 -8.281 7.451 1.00 0.00 C ATOM 197 O SER A 15 6.199 -7.564 7.811 1.00 0.00 O ATOM 198 CB SER A 15 8.235 -8.347 5.196 1.00 0.00 C ATOM 199 OG SER A 15 8.572 -9.207 4.111 1.00 0.00 O ATOM 0 H SER A 15 5.798 -8.058 4.697 1.00 0.00 H new ATOM 0 HA SER A 15 7.304 -10.001 6.172 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.920 -7.379 4.807 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.120 -8.172 5.809 1.00 0.00 H new ATOM 0 HG SER A 15 9.285 -8.797 3.578 1.00 0.00 H new ATOM 205 N THR A 16 8.198 -8.553 8.189 1.00 0.00 N ATOM 206 CA THR A 16 8.342 -8.003 9.526 1.00 0.00 C ATOM 207 C THR A 16 8.310 -6.474 9.480 1.00 0.00 C ATOM 208 O THR A 16 7.931 -5.827 10.455 1.00 0.00 O ATOM 209 CB THR A 16 9.629 -8.565 10.133 1.00 0.00 C ATOM 210 OG1 THR A 16 9.320 -9.930 10.400 1.00 0.00 O ATOM 211 CG2 THR A 16 9.934 -7.976 11.511 1.00 0.00 C ATOM 0 H THR A 16 8.970 -9.147 7.886 1.00 0.00 H new ATOM 0 HA THR A 16 7.509 -8.296 10.165 1.00 0.00 H new ATOM 0 HB THR A 16 10.463 -8.365 9.461 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.101 -10.371 10.794 1.00 0.00 H new ATOM 0 HG21 THR A 16 10.857 -8.409 11.896 1.00 0.00 H new ATOM 0 HG22 THR A 16 10.047 -6.895 11.428 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.115 -8.203 12.193 1.00 0.00 H new ATOM 219 N ALA A 17 8.714 -5.940 8.336 1.00 0.00 N ATOM 220 CA ALA A 17 8.736 -4.499 8.150 1.00 0.00 C ATOM 221 C ALA A 17 7.364 -4.031 7.660 1.00 0.00 C ATOM 222 O ALA A 17 6.816 -3.058 8.175 1.00 0.00 O ATOM 223 CB ALA A 17 9.859 -4.127 7.180 1.00 0.00 C ATOM 0 H ALA A 17 9.028 -6.479 7.529 1.00 0.00 H new ATOM 0 HA ALA A 17 8.939 -3.993 9.094 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.876 -3.046 7.040 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.815 -4.455 7.587 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.687 -4.614 6.220 1.00 0.00 H new ATOM 229 N LEU A 18 6.848 -4.747 6.672 1.00 0.00 N ATOM 230 CA LEU A 18 5.551 -4.417 6.107 1.00 0.00 C ATOM 231 C LEU A 18 4.464 -4.675 7.152 1.00 0.00 C ATOM 232 O LEU A 18 3.376 -4.107 7.075 1.00 0.00 O ATOM 233 CB LEU A 18 5.331 -5.170 4.793 1.00 0.00 C ATOM 234 CG LEU A 18 4.762 -4.346 3.636 1.00 0.00 C ATOM 235 CD1 LEU A 18 5.687 -3.178 3.287 1.00 0.00 C ATOM 236 CD2 LEU A 18 4.475 -5.232 2.422 1.00 0.00 C ATOM 0 H LEU A 18 7.305 -5.555 6.248 1.00 0.00 H new ATOM 0 HA LEU A 18 5.505 -3.358 5.852 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.284 -5.595 4.477 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.657 -6.005 4.984 1.00 0.00 H new ATOM 0 HG LEU A 18 3.811 -3.919 3.956 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.259 -2.609 2.462 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.798 -2.529 4.156 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.664 -3.563 2.994 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.071 -4.622 1.614 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.399 -5.707 2.092 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.750 -5.999 2.695 1.00 0.00 H new ATOM 248 N MET A 19 4.796 -5.533 8.106 1.00 0.00 N ATOM 249 CA MET A 19 3.862 -5.873 9.166 1.00 0.00 C ATOM 250 C MET A 19 3.793 -4.761 10.214 1.00 0.00 C ATOM 251 O MET A 19 2.944 -4.793 11.103 1.00 0.00 O ATOM 252 CB MET A 19 4.301 -7.178 9.833 1.00 0.00 C ATOM 253 CG MET A 19 3.718 -8.390 9.104 1.00 0.00 C ATOM 254 SD MET A 19 3.427 -9.718 10.261 1.00 0.00 S ATOM 255 CE MET A 19 5.014 -10.531 10.206 1.00 0.00 C ATOM 0 H MET A 19 5.699 -6.003 8.167 1.00 0.00 H new ATOM 0 HA MET A 19 2.871 -5.994 8.727 1.00 0.00 H new ATOM 0 HB2 MET A 19 5.389 -7.240 9.837 1.00 0.00 H new ATOM 0 HB3 MET A 19 3.978 -7.185 10.874 1.00 0.00 H new ATOM 0 HG2 MET A 19 2.785 -8.115 8.612 1.00 0.00 H new ATOM 0 HG3 MET A 19 4.404 -8.720 8.324 1.00 0.00 H new ATOM 0 HE1 MET A 19 5.006 -11.390 10.877 1.00 0.00 H new ATOM 0 HE2 MET A 19 5.216 -10.866 9.189 1.00 0.00 H new ATOM 0 HE3 MET A 19 5.791 -9.834 10.519 1.00 0.00 H new ATOM 265 N ASP A 20 4.699 -3.804 10.075 1.00 0.00 N ATOM 266 CA ASP A 20 4.752 -2.684 10.999 1.00 0.00 C ATOM 267 C ASP A 20 4.415 -1.393 10.250 1.00 0.00 C ATOM 268 O ASP A 20 4.360 -0.320 10.848 1.00 0.00 O ATOM 269 CB ASP A 20 6.150 -2.530 11.599 1.00 0.00 C ATOM 270 CG ASP A 20 6.199 -2.510 13.128 1.00 0.00 C ATOM 271 OD1 ASP A 20 5.288 -1.889 13.717 1.00 0.00 O ATOM 272 OD2 ASP A 20 7.147 -3.116 13.674 1.00 0.00 O ATOM 0 H ASP A 20 5.402 -3.781 9.336 1.00 0.00 H new ATOM 0 HA ASP A 20 4.035 -2.873 11.798 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.775 -3.348 11.241 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.590 -1.606 11.224 1.00 0.00 H new ATOM 277 N VAL A 21 4.197 -1.541 8.951 1.00 0.00 N ATOM 278 CA VAL A 21 3.867 -0.400 8.113 1.00 0.00 C ATOM 279 C VAL A 21 2.346 -0.267 8.017 1.00 0.00 C ATOM 280 O VAL A 21 1.829 0.822 7.773 1.00 0.00 O ATOM 281 CB VAL A 21 4.543 -0.541 6.748 1.00 0.00 C ATOM 282 CG1 VAL A 21 3.849 0.333 5.700 1.00 0.00 C ATOM 283 CG2 VAL A 21 6.034 -0.211 6.837 1.00 0.00 C ATOM 0 H VAL A 21 4.242 -2.433 8.459 1.00 0.00 H new ATOM 0 HA VAL A 21 4.246 0.522 8.555 1.00 0.00 H new ATOM 0 HB VAL A 21 4.449 -1.580 6.433 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.349 0.214 4.739 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.806 0.030 5.607 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.897 1.378 6.008 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.490 -0.319 5.853 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.160 0.815 7.184 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.516 -0.893 7.537 1.00 0.00 H new ATOM 293 N LEU A 22 1.672 -1.391 8.214 1.00 0.00 N ATOM 294 CA LEU A 22 0.221 -1.413 8.152 1.00 0.00 C ATOM 295 C LEU A 22 -0.330 -2.037 9.436 1.00 0.00 C ATOM 296 O LEU A 22 -1.132 -1.420 10.135 1.00 0.00 O ATOM 297 CB LEU A 22 -0.251 -2.114 6.876 1.00 0.00 C ATOM 298 CG LEU A 22 0.549 -1.807 5.608 1.00 0.00 C ATOM 299 CD1 LEU A 22 0.376 -2.917 4.569 1.00 0.00 C ATOM 300 CD2 LEU A 22 0.179 -0.433 5.045 1.00 0.00 C ATOM 0 H LEU A 22 2.104 -2.292 8.417 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.173 -0.398 8.095 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.226 -3.190 7.046 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.292 -1.843 6.700 1.00 0.00 H new ATOM 0 HG LEU A 22 1.606 -1.773 5.871 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.955 -2.674 3.678 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.728 -3.862 4.984 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.678 -3.007 4.304 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.762 -0.240 4.144 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.883 -0.414 4.801 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.394 0.335 5.788 1.00 0.00 H new ATOM 312 N GLY A 23 0.121 -3.253 9.706 1.00 0.00 N ATOM 313 CA GLY A 23 -0.316 -3.967 10.893 1.00 0.00 C ATOM 314 C GLY A 23 -1.029 -5.268 10.519 1.00 0.00 C ATOM 315 O GLY A 23 -1.634 -5.916 11.371 1.00 0.00 O ATOM 0 H GLY A 23 0.785 -3.762 9.123 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.544 -4.188 11.526 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.986 -3.335 11.476 1.00 0.00 H new ATOM 319 N ILE A 24 -0.933 -5.612 9.243 1.00 0.00 N ATOM 320 CA ILE A 24 -1.561 -6.824 8.745 1.00 0.00 C ATOM 321 C ILE A 24 -0.492 -7.899 8.539 1.00 0.00 C ATOM 322 O ILE A 24 0.678 -7.584 8.329 1.00 0.00 O ATOM 323 CB ILE A 24 -2.382 -6.525 7.489 1.00 0.00 C ATOM 324 CG1 ILE A 24 -1.678 -5.493 6.606 1.00 0.00 C ATOM 325 CG2 ILE A 24 -3.804 -6.093 7.853 1.00 0.00 C ATOM 326 CD1 ILE A 24 -2.363 -5.379 5.243 1.00 0.00 C ATOM 0 H ILE A 24 -0.430 -5.072 8.539 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.270 -7.214 9.476 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.463 -7.444 6.908 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.682 -4.522 7.101 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.634 -5.777 6.470 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.366 -5.887 6.942 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.295 -6.891 8.410 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.765 -5.193 8.467 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.843 -4.639 4.635 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -2.336 -6.346 4.740 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.399 -5.071 5.381 1.00 0.00 H new ATOM 338 N GLU A 25 -0.933 -9.147 8.607 1.00 0.00 N ATOM 339 CA GLU A 25 -0.029 -10.271 8.431 1.00 0.00 C ATOM 340 C GLU A 25 -0.162 -10.843 7.018 1.00 0.00 C ATOM 341 O GLU A 25 0.765 -11.469 6.508 1.00 0.00 O ATOM 342 CB GLU A 25 -0.283 -11.349 9.486 1.00 0.00 C ATOM 343 CG GLU A 25 0.992 -12.142 9.778 1.00 0.00 C ATOM 344 CD GLU A 25 1.382 -12.029 11.253 1.00 0.00 C ATOM 345 OE1 GLU A 25 0.461 -11.805 12.068 1.00 0.00 O ATOM 346 OE2 GLU A 25 2.592 -12.169 11.533 1.00 0.00 O ATOM 0 H GLU A 25 -1.904 -9.404 8.782 1.00 0.00 H new ATOM 0 HA GLU A 25 0.993 -9.915 8.562 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.646 -10.886 10.404 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.065 -12.025 9.139 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.841 -13.190 9.517 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.805 -11.772 9.154 1.00 0.00 H new ATOM 353 N VAL A 26 -1.324 -10.607 6.426 1.00 0.00 N ATOM 354 CA VAL A 26 -1.590 -11.091 5.082 1.00 0.00 C ATOM 355 C VAL A 26 -2.853 -10.417 4.543 1.00 0.00 C ATOM 356 O VAL A 26 -3.921 -10.519 5.144 1.00 0.00 O ATOM 357 CB VAL A 26 -1.683 -12.619 5.085 1.00 0.00 C ATOM 358 CG1 VAL A 26 -2.043 -13.143 6.476 1.00 0.00 C ATOM 359 CG2 VAL A 26 -2.685 -13.109 4.038 1.00 0.00 C ATOM 0 H VAL A 26 -2.091 -10.087 6.852 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.771 -10.829 4.413 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.702 -13.015 4.821 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.103 -14.231 6.451 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.277 -12.838 7.189 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.006 -12.734 6.781 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.732 -14.198 4.061 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.671 -12.699 4.258 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.367 -12.780 3.048 1.00 0.00 H new ATOM 369 N GLU A 27 -2.689 -9.742 3.414 1.00 0.00 N ATOM 370 CA GLU A 27 -3.803 -9.051 2.787 1.00 0.00 C ATOM 371 C GLU A 27 -3.728 -9.195 1.266 1.00 0.00 C ATOM 372 O GLU A 27 -2.674 -9.516 0.720 1.00 0.00 O ATOM 373 CB GLU A 27 -3.835 -7.577 3.197 1.00 0.00 C ATOM 374 CG GLU A 27 -5.184 -7.209 3.818 1.00 0.00 C ATOM 375 CD GLU A 27 -5.594 -8.229 4.882 1.00 0.00 C ATOM 376 OE1 GLU A 27 -4.953 -8.220 5.955 1.00 0.00 O ATOM 377 OE2 GLU A 27 -6.540 -8.996 4.598 1.00 0.00 O ATOM 0 H GLU A 27 -1.802 -9.659 2.918 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.730 -9.510 3.131 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.036 -7.377 3.911 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.649 -6.949 2.325 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.124 -6.216 4.264 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.946 -7.163 3.040 1.00 0.00 H new ATOM 384 N THR A 28 -4.861 -8.950 0.624 1.00 0.00 N ATOM 385 CA THR A 28 -4.938 -9.049 -0.824 1.00 0.00 C ATOM 386 C THR A 28 -3.882 -8.155 -1.476 1.00 0.00 C ATOM 387 O THR A 28 -2.947 -7.707 -0.813 1.00 0.00 O ATOM 388 CB THR A 28 -6.368 -8.708 -1.246 1.00 0.00 C ATOM 389 OG1 THR A 28 -6.564 -7.380 -0.768 1.00 0.00 O ATOM 390 CG2 THR A 28 -7.414 -9.533 -0.493 1.00 0.00 C ATOM 0 H THR A 28 -5.733 -8.683 1.080 1.00 0.00 H new ATOM 0 HA THR A 28 -4.717 -10.061 -1.164 1.00 0.00 H new ATOM 0 HB THR A 28 -6.479 -8.873 -2.318 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.229 -6.926 -1.326 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.411 -9.251 -0.831 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.251 -10.593 -0.688 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.326 -9.343 0.577 1.00 0.00 H new ATOM 398 N ARG A 29 -4.066 -7.921 -2.767 1.00 0.00 N ATOM 399 CA ARG A 29 -3.140 -7.087 -3.516 1.00 0.00 C ATOM 400 C ARG A 29 -3.501 -5.610 -3.347 1.00 0.00 C ATOM 401 O ARG A 29 -2.624 -4.773 -3.139 1.00 0.00 O ATOM 402 CB ARG A 29 -3.159 -7.443 -5.003 1.00 0.00 C ATOM 403 CG ARG A 29 -1.840 -7.060 -5.676 1.00 0.00 C ATOM 404 CD ARG A 29 -1.953 -7.153 -7.199 1.00 0.00 C ATOM 405 NE ARG A 29 -1.764 -5.815 -7.803 1.00 0.00 N ATOM 406 CZ ARG A 29 -1.743 -5.584 -9.123 1.00 0.00 C ATOM 407 NH1 ARG A 29 -1.899 -6.599 -9.984 1.00 0.00 N ATOM 408 NH2 ARG A 29 -1.567 -4.337 -9.582 1.00 0.00 N ATOM 0 H ARG A 29 -4.842 -8.294 -3.314 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.139 -7.267 -3.124 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.335 -8.512 -5.122 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.985 -6.927 -5.493 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.563 -6.045 -5.390 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.045 -7.718 -5.326 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.205 -7.845 -7.586 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.929 -7.552 -7.476 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.642 -5.020 -7.176 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.034 -7.548 -9.635 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.883 -6.423 -10.989 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.449 -3.564 -8.927 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.551 -4.161 -10.587 1.00 0.00 H new ATOM 422 N PRO A 30 -4.827 -5.327 -3.446 1.00 0.00 N ATOM 423 CA PRO A 30 -5.315 -3.965 -3.307 1.00 0.00 C ATOM 424 C PRO A 30 -5.294 -3.523 -1.843 1.00 0.00 C ATOM 425 O PRO A 30 -4.770 -2.458 -1.519 1.00 0.00 O ATOM 426 CB PRO A 30 -6.713 -3.985 -3.902 1.00 0.00 C ATOM 427 CG PRO A 30 -7.135 -5.445 -3.928 1.00 0.00 C ATOM 428 CD PRO A 30 -5.895 -6.293 -3.692 1.00 0.00 C ATOM 0 HA PRO A 30 -4.688 -3.238 -3.824 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -7.401 -3.390 -3.302 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -6.716 -3.560 -4.906 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.883 -5.640 -3.159 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.591 -5.694 -4.886 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.028 -6.961 -2.841 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -5.672 -6.918 -4.557 1.00 0.00 H new ATOM 436 N ARG A 31 -5.871 -4.362 -0.995 1.00 0.00 N ATOM 437 CA ARG A 31 -5.925 -4.071 0.427 1.00 0.00 C ATOM 438 C ARG A 31 -4.586 -3.506 0.905 1.00 0.00 C ATOM 439 O ARG A 31 -4.544 -2.451 1.536 1.00 0.00 O ATOM 440 CB ARG A 31 -6.258 -5.327 1.234 1.00 0.00 C ATOM 441 CG ARG A 31 -7.757 -5.627 1.190 1.00 0.00 C ATOM 442 CD ARG A 31 -8.109 -6.805 2.101 1.00 0.00 C ATOM 443 NE ARG A 31 -9.529 -7.180 1.919 1.00 0.00 N ATOM 444 CZ ARG A 31 -10.551 -6.571 2.536 1.00 0.00 C ATOM 445 NH1 ARG A 31 -10.317 -5.556 3.378 1.00 0.00 N ATOM 446 NH2 ARG A 31 -11.808 -6.979 2.310 1.00 0.00 N ATOM 0 H ARG A 31 -6.305 -5.244 -1.266 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.711 -3.333 0.584 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.702 -6.176 0.837 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.941 -5.194 2.268 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.317 -4.744 1.499 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.056 -5.853 0.166 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -7.468 -7.656 1.873 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -7.926 -6.538 3.142 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.743 -7.950 1.285 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.361 -5.246 3.550 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.095 -5.093 3.847 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.986 -7.752 1.669 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -12.587 -6.516 2.779 1.00 0.00 H new ATOM 460 N ILE A 32 -3.526 -4.233 0.585 1.00 0.00 N ATOM 461 CA ILE A 32 -2.189 -3.817 0.974 1.00 0.00 C ATOM 462 C ILE A 32 -1.884 -2.451 0.356 1.00 0.00 C ATOM 463 O ILE A 32 -1.737 -1.461 1.071 1.00 0.00 O ATOM 464 CB ILE A 32 -1.166 -4.896 0.614 1.00 0.00 C ATOM 465 CG1 ILE A 32 -1.574 -6.253 1.192 1.00 0.00 C ATOM 466 CG2 ILE A 32 0.241 -4.486 1.053 1.00 0.00 C ATOM 467 CD1 ILE A 32 -0.583 -7.344 0.782 1.00 0.00 C ATOM 0 H ILE A 32 -3.565 -5.107 0.061 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.127 -3.699 2.056 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.147 -5.000 -0.471 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.621 -6.190 2.279 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.573 -6.515 0.844 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.949 -5.271 0.785 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.522 -3.558 0.554 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.256 -4.337 2.133 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.896 -8.298 1.206 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.556 -7.421 -0.305 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.410 -7.091 1.152 1.00 0.00 H new ATOM 479 N ILE A 33 -1.800 -2.440 -0.966 1.00 0.00 N ATOM 480 CA ILE A 33 -1.516 -1.212 -1.688 1.00 0.00 C ATOM 481 C ILE A 33 -2.297 -0.060 -1.054 1.00 0.00 C ATOM 482 O ILE A 33 -1.733 0.995 -0.768 1.00 0.00 O ATOM 483 CB ILE A 33 -1.792 -1.393 -3.183 1.00 0.00 C ATOM 484 CG1 ILE A 33 -0.858 -2.443 -3.789 1.00 0.00 C ATOM 485 CG2 ILE A 33 -1.708 -0.056 -3.922 1.00 0.00 C ATOM 486 CD1 ILE A 33 -1.336 -2.862 -5.181 1.00 0.00 C ATOM 0 H ILE A 33 -1.924 -3.263 -1.556 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.458 -0.961 -1.611 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.811 -1.762 -3.300 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.153 -2.042 -3.853 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.814 -3.316 -3.137 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.908 -0.213 -4.982 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.446 0.634 -3.512 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.710 0.365 -3.800 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.655 -3.609 -5.590 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.338 -3.285 -5.110 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.355 -1.991 -5.836 1.00 0.00 H new ATOM 498 N ALA A 34 -3.585 -0.301 -0.853 1.00 0.00 N ATOM 499 CA ALA A 34 -4.450 0.704 -0.257 1.00 0.00 C ATOM 500 C ALA A 34 -3.996 0.975 1.178 1.00 0.00 C ATOM 501 O ALA A 34 -3.850 2.129 1.579 1.00 0.00 O ATOM 502 CB ALA A 34 -5.904 0.233 -0.330 1.00 0.00 C ATOM 0 H ALA A 34 -4.050 -1.177 -1.092 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.383 1.643 -0.806 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.553 0.986 0.117 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.186 0.083 -1.372 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.010 -0.706 0.213 1.00 0.00 H new ATOM 508 N ALA A 35 -3.785 -0.107 1.913 1.00 0.00 N ATOM 509 CA ALA A 35 -3.351 0.000 3.296 1.00 0.00 C ATOM 510 C ALA A 35 -2.211 1.016 3.390 1.00 0.00 C ATOM 511 O ALA A 35 -2.032 1.659 4.424 1.00 0.00 O ATOM 512 CB ALA A 35 -2.944 -1.382 3.812 1.00 0.00 C ATOM 0 H ALA A 35 -3.906 -1.062 1.577 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.165 0.357 3.927 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.618 -1.302 4.849 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.796 -2.059 3.750 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.127 -1.771 3.204 1.00 0.00 H new ATOM 518 N ILE A 36 -1.470 1.130 2.298 1.00 0.00 N ATOM 519 CA ILE A 36 -0.352 2.057 2.245 1.00 0.00 C ATOM 520 C ILE A 36 -0.861 3.439 1.830 1.00 0.00 C ATOM 521 O ILE A 36 -0.373 4.456 2.319 1.00 0.00 O ATOM 522 CB ILE A 36 0.754 1.511 1.340 1.00 0.00 C ATOM 523 CG1 ILE A 36 1.408 0.273 1.958 1.00 0.00 C ATOM 524 CG2 ILE A 36 1.780 2.598 1.012 1.00 0.00 C ATOM 525 CD1 ILE A 36 2.441 -0.334 1.006 1.00 0.00 C ATOM 0 H ILE A 36 -1.622 0.596 1.443 1.00 0.00 H new ATOM 0 HA ILE A 36 0.100 2.166 3.231 1.00 0.00 H new ATOM 0 HB ILE A 36 0.302 1.200 0.398 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.889 0.542 2.898 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.644 -0.468 2.192 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.555 2.184 0.368 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.285 3.423 0.500 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.232 2.962 1.935 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.891 -1.212 1.469 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.952 -0.624 0.076 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.217 0.402 0.794 1.00 0.00 H new ATOM 537 N TRP A 37 -1.835 3.430 0.932 1.00 0.00 N ATOM 538 CA TRP A 37 -2.416 4.671 0.446 1.00 0.00 C ATOM 539 C TRP A 37 -3.054 5.392 1.635 1.00 0.00 C ATOM 540 O TRP A 37 -2.812 6.579 1.848 1.00 0.00 O ATOM 541 CB TRP A 37 -3.403 4.405 -0.692 1.00 0.00 C ATOM 542 CG TRP A 37 -2.757 3.827 -1.953 1.00 0.00 C ATOM 543 CD1 TRP A 37 -1.538 3.287 -2.083 1.00 0.00 C ATOM 544 CD2 TRP A 37 -3.352 3.753 -3.266 1.00 0.00 C ATOM 545 NE1 TRP A 37 -1.303 2.873 -3.378 1.00 0.00 N ATOM 546 CE2 TRP A 37 -2.441 3.165 -4.121 1.00 0.00 C ATOM 547 CE3 TRP A 37 -4.616 4.170 -3.718 1.00 0.00 C ATOM 548 CZ2 TRP A 37 -2.699 2.940 -5.478 1.00 0.00 C ATOM 549 CZ3 TRP A 37 -4.858 3.938 -5.077 1.00 0.00 C ATOM 550 CH2 TRP A 37 -3.952 3.347 -5.950 1.00 0.00 C ATOM 0 H TRP A 37 -2.237 2.584 0.528 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.648 5.316 0.020 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -4.170 3.715 -0.340 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.906 5.337 -0.948 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.828 3.188 -1.275 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.451 2.433 -3.726 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.343 4.633 -3.068 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -1.970 2.477 -6.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -5.816 4.239 -5.475 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.214 3.203 -6.988 1.00 0.00 H new ATOM 561 N HIS A 38 -3.857 4.645 2.378 1.00 0.00 N ATOM 562 CA HIS A 38 -4.532 5.198 3.540 1.00 0.00 C ATOM 563 C HIS A 38 -3.495 5.631 4.578 1.00 0.00 C ATOM 564 O HIS A 38 -3.460 6.793 4.979 1.00 0.00 O ATOM 565 CB HIS A 38 -5.553 4.205 4.099 1.00 0.00 C ATOM 566 CG HIS A 38 -6.074 4.566 5.470 1.00 0.00 C ATOM 567 ND1 HIS A 38 -6.769 3.674 6.267 1.00 0.00 N ATOM 568 CD2 HIS A 38 -5.992 5.730 6.176 1.00 0.00 C ATOM 569 CE1 HIS A 38 -7.088 4.284 7.398 1.00 0.00 C ATOM 570 NE2 HIS A 38 -6.606 5.559 7.340 1.00 0.00 N ATOM 0 H HIS A 38 -4.056 3.661 2.198 1.00 0.00 H new ATOM 0 HA HIS A 38 -5.096 6.084 3.250 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -6.394 4.137 3.409 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -5.096 3.216 4.144 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.509 6.637 5.844 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -7.634 3.849 8.222 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -6.702 6.264 8.071 1.00 0.00 H new ATOM 578 N TYR A 39 -2.676 4.672 4.984 1.00 0.00 N ATOM 579 CA TYR A 39 -1.640 4.939 5.968 1.00 0.00 C ATOM 580 C TYR A 39 -0.870 6.215 5.621 1.00 0.00 C ATOM 581 O TYR A 39 -0.813 7.147 6.421 1.00 0.00 O ATOM 582 CB TYR A 39 -0.683 3.747 5.907 1.00 0.00 C ATOM 583 CG TYR A 39 0.524 3.870 6.839 1.00 0.00 C ATOM 584 CD1 TYR A 39 0.334 4.009 8.199 1.00 0.00 C ATOM 585 CD2 TYR A 39 1.802 3.843 6.320 1.00 0.00 C ATOM 586 CE1 TYR A 39 1.470 4.125 9.077 1.00 0.00 C ATOM 587 CE2 TYR A 39 2.938 3.958 7.198 1.00 0.00 C ATOM 588 CZ TYR A 39 2.716 4.094 8.533 1.00 0.00 C ATOM 589 OH TYR A 39 3.789 4.203 9.361 1.00 0.00 O ATOM 0 H TYR A 39 -2.709 3.709 4.650 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.076 5.074 6.958 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.232 2.840 6.159 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.328 3.631 4.883 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.667 4.031 8.605 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.951 3.736 5.256 1.00 0.00 H new ATOM 0 HE1 TYR A 39 1.335 4.234 10.143 1.00 0.00 H new ATOM 0 HE2 TYR A 39 3.944 3.937 6.805 1.00 0.00 H new ATOM 0 HH TYR A 39 4.614 4.164 8.834 1.00 0.00 H new ATOM 599 N VAL A 40 -0.297 6.215 4.426 1.00 0.00 N ATOM 600 CA VAL A 40 0.467 7.361 3.964 1.00 0.00 C ATOM 601 C VAL A 40 -0.312 8.643 4.263 1.00 0.00 C ATOM 602 O VAL A 40 0.136 9.477 5.048 1.00 0.00 O ATOM 603 CB VAL A 40 0.806 7.200 2.480 1.00 0.00 C ATOM 604 CG1 VAL A 40 1.435 8.477 1.920 1.00 0.00 C ATOM 605 CG2 VAL A 40 1.719 5.994 2.254 1.00 0.00 C ATOM 0 H VAL A 40 -0.347 5.440 3.765 1.00 0.00 H new ATOM 0 HA VAL A 40 1.416 7.426 4.496 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.124 7.021 1.941 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.666 8.336 0.864 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.736 9.306 2.031 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.352 8.700 2.466 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.944 5.902 1.192 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.646 6.130 2.811 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.218 5.089 2.598 1.00 0.00 H new ATOM 615 N LYS A 41 -1.465 8.760 3.622 1.00 0.00 N ATOM 616 CA LYS A 41 -2.311 9.926 3.810 1.00 0.00 C ATOM 617 C LYS A 41 -2.540 10.149 5.306 1.00 0.00 C ATOM 618 O LYS A 41 -2.293 11.240 5.820 1.00 0.00 O ATOM 619 CB LYS A 41 -3.605 9.786 3.005 1.00 0.00 C ATOM 620 CG LYS A 41 -3.332 9.911 1.504 1.00 0.00 C ATOM 621 CD LYS A 41 -4.242 8.979 0.702 1.00 0.00 C ATOM 622 CE LYS A 41 -4.852 9.707 -0.498 1.00 0.00 C ATOM 623 NZ LYS A 41 -6.251 9.272 -0.711 1.00 0.00 N ATOM 0 H LYS A 41 -1.834 8.066 2.971 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.818 10.819 3.425 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.066 8.821 3.215 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.315 10.553 3.314 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.490 10.942 1.187 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.289 9.671 1.299 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.672 8.116 0.357 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.037 8.600 1.344 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.821 10.784 -0.332 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.262 9.505 -1.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.650 9.775 -1.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.273 8.248 -0.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.814 9.487 0.136 1.00 0.00 H new ATOM 637 N ALA A 42 -3.009 9.099 5.964 1.00 0.00 N ATOM 638 CA ALA A 42 -3.274 9.166 7.391 1.00 0.00 C ATOM 639 C ALA A 42 -2.027 9.683 8.112 1.00 0.00 C ATOM 640 O ALA A 42 -2.130 10.299 9.172 1.00 0.00 O ATOM 641 CB ALA A 42 -3.711 7.789 7.895 1.00 0.00 C ATOM 0 H ALA A 42 -3.212 8.196 5.535 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.087 9.861 7.599 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.910 7.840 8.966 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.616 7.481 7.372 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.919 7.064 7.707 1.00 0.00 H new ATOM 647 N ARG A 43 -0.879 9.412 7.510 1.00 0.00 N ATOM 648 CA ARG A 43 0.386 9.842 8.082 1.00 0.00 C ATOM 649 C ARG A 43 0.905 11.082 7.350 1.00 0.00 C ATOM 650 O ARG A 43 2.099 11.376 7.391 1.00 0.00 O ATOM 651 CB ARG A 43 1.435 8.731 7.997 1.00 0.00 C ATOM 652 CG ARG A 43 0.915 7.437 8.625 1.00 0.00 C ATOM 653 CD ARG A 43 1.601 7.164 9.965 1.00 0.00 C ATOM 654 NE ARG A 43 3.008 6.765 9.741 1.00 0.00 N ATOM 655 CZ ARG A 43 3.939 6.721 10.704 1.00 0.00 C ATOM 656 NH1 ARG A 43 3.617 7.052 11.963 1.00 0.00 N ATOM 657 NH2 ARG A 43 5.191 6.347 10.409 1.00 0.00 N ATOM 0 H ARG A 43 -0.798 8.900 6.632 1.00 0.00 H new ATOM 0 HA ARG A 43 0.212 10.081 9.131 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.698 8.553 6.954 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.346 9.046 8.506 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.163 7.507 8.772 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.091 6.603 7.946 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.562 8.056 10.591 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.072 6.376 10.500 1.00 0.00 H new ATOM 0 HE ARG A 43 3.287 6.507 8.794 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.664 7.337 12.187 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.325 7.019 12.696 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.436 6.096 9.451 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.899 6.314 11.142 1.00 0.00 H new ATOM 671 N LYS A 44 -0.017 11.775 6.699 1.00 0.00 N ATOM 672 CA LYS A 44 0.333 12.976 5.960 1.00 0.00 C ATOM 673 C LYS A 44 1.633 12.735 5.190 1.00 0.00 C ATOM 674 O LYS A 44 2.438 13.651 5.023 1.00 0.00 O ATOM 675 CB LYS A 44 0.387 14.185 6.896 1.00 0.00 C ATOM 676 CG LYS A 44 1.610 14.114 7.813 1.00 0.00 C ATOM 677 CD LYS A 44 1.800 15.427 8.575 1.00 0.00 C ATOM 678 CE LYS A 44 2.692 16.392 7.792 1.00 0.00 C ATOM 679 NZ LYS A 44 3.149 17.498 8.662 1.00 0.00 N ATOM 0 H LYS A 44 -1.006 11.528 6.668 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.436 13.208 5.223 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.421 15.103 6.309 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.521 14.225 7.497 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.492 13.293 8.520 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.500 13.900 7.222 1.00 0.00 H new ATOM 0 HD2 LYS A 44 0.830 15.889 8.757 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.245 15.225 9.549 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.553 15.857 7.392 1.00 0.00 H new ATOM 0 HE3 LYS A 44 2.143 16.794 6.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.753 18.143 8.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.325 18.019 9.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.691 17.110 9.461 1.00 0.00 H new ATOM 693 N LEU A 45 1.799 11.499 4.743 1.00 0.00 N ATOM 694 CA LEU A 45 2.988 11.127 3.996 1.00 0.00 C ATOM 695 C LEU A 45 2.820 11.551 2.535 1.00 0.00 C ATOM 696 O LEU A 45 3.794 11.608 1.786 1.00 0.00 O ATOM 697 CB LEU A 45 3.287 9.637 4.173 1.00 0.00 C ATOM 698 CG LEU A 45 3.979 9.243 5.480 1.00 0.00 C ATOM 699 CD1 LEU A 45 4.007 7.722 5.648 1.00 0.00 C ATOM 700 CD2 LEU A 45 5.378 9.855 5.566 1.00 0.00 C ATOM 0 H LEU A 45 1.130 10.742 4.884 1.00 0.00 H new ATOM 0 HA LEU A 45 3.861 11.652 4.383 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.348 9.087 4.102 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.912 9.311 3.341 1.00 0.00 H new ATOM 0 HG LEU A 45 3.399 9.648 6.309 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.504 7.468 6.584 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.987 7.339 5.663 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.550 7.274 4.816 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.847 9.559 6.504 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.982 9.501 4.731 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.303 10.942 5.525 1.00 0.00 H new ATOM 712 N GLN A 46 1.578 11.837 2.174 1.00 0.00 N ATOM 713 CA GLN A 46 1.270 12.254 0.817 1.00 0.00 C ATOM 714 C GLN A 46 2.177 13.414 0.400 1.00 0.00 C ATOM 715 O GLN A 46 2.599 14.209 1.238 1.00 0.00 O ATOM 716 CB GLN A 46 -0.205 12.636 0.682 1.00 0.00 C ATOM 717 CG GLN A 46 -0.587 12.838 -0.786 1.00 0.00 C ATOM 718 CD GLN A 46 -2.012 13.380 -0.912 1.00 0.00 C ATOM 719 OE1 GLN A 46 -2.684 13.666 0.065 1.00 0.00 O ATOM 720 NE2 GLN A 46 -2.435 13.504 -2.167 1.00 0.00 N ATOM 0 H GLN A 46 0.773 11.788 2.798 1.00 0.00 H new ATOM 0 HA GLN A 46 1.456 11.414 0.148 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -0.828 11.856 1.120 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.400 13.551 1.241 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.112 13.530 -1.255 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.506 11.891 -1.320 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.821 13.246 -2.940 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.373 13.857 -2.356 1.00 0.00 H new ATOM 729 N ASN A 47 2.450 13.473 -0.896 1.00 0.00 N ATOM 730 CA ASN A 47 3.298 14.522 -1.434 1.00 0.00 C ATOM 731 C ASN A 47 2.426 15.585 -2.106 1.00 0.00 C ATOM 732 O ASN A 47 1.596 15.265 -2.956 1.00 0.00 O ATOM 733 CB ASN A 47 4.260 13.967 -2.487 1.00 0.00 C ATOM 734 CG ASN A 47 5.635 13.683 -1.878 1.00 0.00 C ATOM 735 OD1 ASN A 47 5.836 12.718 -1.159 1.00 0.00 O ATOM 736 ND2 ASN A 47 6.566 14.575 -2.204 1.00 0.00 N ATOM 0 H ASN A 47 2.099 12.811 -1.588 1.00 0.00 H new ATOM 0 HA ASN A 47 3.870 14.947 -0.610 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.850 13.051 -2.912 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.361 14.681 -3.305 1.00 0.00 H new ATOM 0 HD21 ASN A 47 7.516 14.474 -1.847 1.00 0.00 H new ATOM 0 HD22 ASN A 47 6.330 15.360 -2.811 1.00 0.00 H new ATOM 743 N PRO A 48 2.648 16.859 -1.688 1.00 0.00 N ATOM 744 CA PRO A 48 1.891 17.971 -2.240 1.00 0.00 C ATOM 745 C PRO A 48 2.371 18.313 -3.652 1.00 0.00 C ATOM 746 O PRO A 48 1.580 18.735 -4.494 1.00 0.00 O ATOM 747 CB PRO A 48 2.089 19.110 -1.253 1.00 0.00 C ATOM 748 CG PRO A 48 3.316 18.743 -0.434 1.00 0.00 C ATOM 749 CD PRO A 48 3.622 17.276 -0.683 1.00 0.00 C ATOM 0 HA PRO A 48 0.832 17.742 -2.357 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.235 20.057 -1.773 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.214 19.230 -0.614 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.165 19.364 -0.720 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.134 18.920 0.626 1.00 0.00 H new ATOM 0 HD2 PRO A 48 4.643 17.140 -1.040 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.523 16.690 0.231 1.00 0.00 H new ATOM 757 N ASN A 49 3.663 18.119 -3.867 1.00 0.00 N ATOM 758 CA ASN A 49 4.258 18.402 -5.162 1.00 0.00 C ATOM 759 C ASN A 49 3.761 17.374 -6.181 1.00 0.00 C ATOM 760 O ASN A 49 3.152 17.737 -7.187 1.00 0.00 O ATOM 761 CB ASN A 49 5.783 18.307 -5.101 1.00 0.00 C ATOM 762 CG ASN A 49 6.408 19.682 -4.856 1.00 0.00 C ATOM 763 OD1 ASN A 49 6.033 20.679 -5.452 1.00 0.00 O ATOM 764 ND2 ASN A 49 7.380 19.681 -3.948 1.00 0.00 N ATOM 0 H ASN A 49 4.316 17.769 -3.166 1.00 0.00 H new ATOM 0 HA ASN A 49 3.972 19.413 -5.451 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.077 17.623 -4.305 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.163 17.892 -6.035 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.860 20.550 -3.714 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.645 18.811 -3.486 1.00 0.00 H new ATOM 771 N ASP A 50 4.040 16.113 -5.887 1.00 0.00 N ATOM 772 CA ASP A 50 3.630 15.031 -6.765 1.00 0.00 C ATOM 773 C ASP A 50 2.545 14.202 -6.073 1.00 0.00 C ATOM 774 O ASP A 50 2.802 13.566 -5.053 1.00 0.00 O ATOM 775 CB ASP A 50 4.804 14.103 -7.082 1.00 0.00 C ATOM 776 CG ASP A 50 5.780 14.631 -8.135 1.00 0.00 C ATOM 777 OD1 ASP A 50 5.520 14.372 -9.330 1.00 0.00 O ATOM 778 OD2 ASP A 50 6.763 15.283 -7.722 1.00 0.00 O ATOM 0 H ASP A 50 4.546 15.816 -5.052 1.00 0.00 H new ATOM 0 HA ASP A 50 3.258 15.471 -7.691 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.355 13.912 -6.161 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.409 13.146 -7.422 1.00 0.00 H new ATOM 783 N PRO A 51 1.325 14.238 -6.673 1.00 0.00 N ATOM 784 CA PRO A 51 0.201 13.497 -6.125 1.00 0.00 C ATOM 785 C PRO A 51 0.337 12.001 -6.413 1.00 0.00 C ATOM 786 O PRO A 51 -0.322 11.180 -5.777 1.00 0.00 O ATOM 787 CB PRO A 51 -1.029 14.117 -6.770 1.00 0.00 C ATOM 788 CG PRO A 51 -0.526 14.861 -7.996 1.00 0.00 C ATOM 789 CD PRO A 51 0.985 14.980 -7.883 1.00 0.00 C ATOM 0 HA PRO A 51 0.142 13.564 -5.039 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.753 13.351 -7.048 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.532 14.795 -6.080 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -0.800 14.326 -8.906 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.983 15.849 -8.057 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.482 14.560 -8.758 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.296 16.022 -7.809 1.00 0.00 H new ATOM 797 N SER A 52 1.197 11.691 -7.373 1.00 0.00 N ATOM 798 CA SER A 52 1.428 10.308 -7.752 1.00 0.00 C ATOM 799 C SER A 52 2.497 9.689 -6.849 1.00 0.00 C ATOM 800 O SER A 52 2.684 8.473 -6.846 1.00 0.00 O ATOM 801 CB SER A 52 1.848 10.203 -9.220 1.00 0.00 C ATOM 802 OG SER A 52 0.730 10.278 -10.101 1.00 0.00 O ATOM 0 H SER A 52 1.742 12.374 -7.899 1.00 0.00 H new ATOM 0 HA SER A 52 0.495 9.759 -7.628 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.549 11.004 -9.455 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.374 9.262 -9.380 1.00 0.00 H new ATOM 0 HG SER A 52 1.039 10.209 -11.028 1.00 0.00 H new ATOM 808 N PHE A 53 3.171 10.554 -6.105 1.00 0.00 N ATOM 809 CA PHE A 53 4.216 10.107 -5.200 1.00 0.00 C ATOM 810 C PHE A 53 3.803 10.315 -3.741 1.00 0.00 C ATOM 811 O PHE A 53 2.733 10.855 -3.466 1.00 0.00 O ATOM 812 CB PHE A 53 5.454 10.956 -5.493 1.00 0.00 C ATOM 813 CG PHE A 53 6.496 10.256 -6.368 1.00 0.00 C ATOM 814 CD1 PHE A 53 7.328 9.328 -5.824 1.00 0.00 C ATOM 815 CD2 PHE A 53 6.589 10.561 -7.690 1.00 0.00 C ATOM 816 CE1 PHE A 53 8.295 8.678 -6.636 1.00 0.00 C ATOM 817 CE2 PHE A 53 7.555 9.911 -8.502 1.00 0.00 C ATOM 818 CZ PHE A 53 8.388 8.983 -7.958 1.00 0.00 C ATOM 0 H PHE A 53 3.014 11.562 -6.111 1.00 0.00 H new ATOM 0 HA PHE A 53 4.407 9.044 -5.348 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.142 11.878 -5.984 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.919 11.240 -4.549 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.253 9.085 -4.774 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.928 11.298 -8.122 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.956 7.942 -6.204 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.629 10.153 -9.552 1.00 0.00 H new ATOM 0 HZ PHE A 53 9.123 8.489 -8.576 1.00 0.00 H new ATOM 828 N PHE A 54 4.674 9.874 -2.845 1.00 0.00 N ATOM 829 CA PHE A 54 4.414 10.005 -1.421 1.00 0.00 C ATOM 830 C PHE A 54 5.706 9.874 -0.613 1.00 0.00 C ATOM 831 O PHE A 54 6.661 9.242 -1.061 1.00 0.00 O ATOM 832 CB PHE A 54 3.467 8.868 -1.033 1.00 0.00 C ATOM 833 CG PHE A 54 4.017 7.472 -1.330 1.00 0.00 C ATOM 834 CD1 PHE A 54 4.746 6.814 -0.388 1.00 0.00 C ATOM 835 CD2 PHE A 54 3.777 6.888 -2.534 1.00 0.00 C ATOM 836 CE1 PHE A 54 5.256 5.518 -0.663 1.00 0.00 C ATOM 837 CE2 PHE A 54 4.287 5.591 -2.809 1.00 0.00 C ATOM 838 CZ PHE A 54 5.017 4.934 -1.868 1.00 0.00 C ATOM 0 H PHE A 54 5.560 9.426 -3.077 1.00 0.00 H new ATOM 0 HA PHE A 54 3.983 10.984 -1.210 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.245 8.941 0.032 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.524 8.997 -1.565 1.00 0.00 H new ATOM 0 HD1 PHE A 54 4.937 7.278 0.569 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.198 7.410 -3.282 1.00 0.00 H new ATOM 0 HE1 PHE A 54 5.834 4.996 0.085 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.095 5.127 -3.765 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.407 3.949 -2.078 1.00 0.00 H new ATOM 848 N ASN A 55 5.695 10.483 0.564 1.00 0.00 N ATOM 849 CA ASN A 55 6.855 10.442 1.438 1.00 0.00 C ATOM 850 C ASN A 55 6.924 9.076 2.123 1.00 0.00 C ATOM 851 O ASN A 55 5.906 8.548 2.567 1.00 0.00 O ATOM 852 CB ASN A 55 6.761 11.513 2.527 1.00 0.00 C ATOM 853 CG ASN A 55 7.304 12.853 2.027 1.00 0.00 C ATOM 854 OD1 ASN A 55 8.378 13.295 2.401 1.00 0.00 O ATOM 855 ND2 ASN A 55 6.505 13.473 1.164 1.00 0.00 N ATOM 0 H ASN A 55 4.901 11.007 0.932 1.00 0.00 H new ATOM 0 HA ASN A 55 7.742 10.622 0.831 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.723 11.630 2.838 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.322 11.194 3.405 1.00 0.00 H new ATOM 0 HD21 ASN A 55 6.778 14.375 0.773 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.619 13.047 0.893 1.00 0.00 H new ATOM 862 N CYS A 56 8.135 8.543 2.188 1.00 0.00 N ATOM 863 CA CYS A 56 8.351 7.248 2.811 1.00 0.00 C ATOM 864 C CYS A 56 8.894 7.479 4.222 1.00 0.00 C ATOM 865 O CYS A 56 9.976 8.040 4.391 1.00 0.00 O ATOM 866 CB CYS A 56 9.283 6.367 1.977 1.00 0.00 C ATOM 867 SG CYS A 56 8.324 5.475 0.699 1.00 0.00 S ATOM 0 H CYS A 56 8.977 8.985 1.819 1.00 0.00 H new ATOM 0 HA CYS A 56 7.406 6.708 2.870 1.00 0.00 H new ATOM 0 HB2 CYS A 56 10.051 6.980 1.505 1.00 0.00 H new ATOM 0 HB3 CYS A 56 9.796 5.654 2.622 1.00 0.00 H new ATOM 0 HG CYS A 56 7.211 6.107 0.472 1.00 0.00 H new ATOM 873 N ASP A 57 8.119 7.035 5.201 1.00 0.00 N ATOM 874 CA ASP A 57 8.509 7.186 6.592 1.00 0.00 C ATOM 875 C ASP A 57 9.670 6.237 6.898 1.00 0.00 C ATOM 876 O ASP A 57 10.181 5.567 6.002 1.00 0.00 O ATOM 877 CB ASP A 57 7.352 6.835 7.530 1.00 0.00 C ATOM 878 CG ASP A 57 6.418 7.998 7.868 1.00 0.00 C ATOM 879 OD1 ASP A 57 6.856 9.153 7.674 1.00 0.00 O ATOM 880 OD2 ASP A 57 5.287 7.707 8.315 1.00 0.00 O ATOM 0 H ASP A 57 7.222 6.570 5.058 1.00 0.00 H new ATOM 0 HA ASP A 57 8.799 8.225 6.750 1.00 0.00 H new ATOM 0 HB2 ASP A 57 6.765 6.037 7.075 1.00 0.00 H new ATOM 0 HB3 ASP A 57 7.764 6.438 8.458 1.00 0.00 H new ATOM 885 N ALA A 58 10.052 6.211 8.166 1.00 0.00 N ATOM 886 CA ALA A 58 11.144 5.356 8.601 1.00 0.00 C ATOM 887 C ALA A 58 10.778 3.894 8.332 1.00 0.00 C ATOM 888 O ALA A 58 11.654 3.069 8.076 1.00 0.00 O ATOM 889 CB ALA A 58 11.442 5.620 10.078 1.00 0.00 C ATOM 0 H ALA A 58 9.625 6.768 8.906 1.00 0.00 H new ATOM 0 HA ALA A 58 12.052 5.578 8.041 1.00 0.00 H new ATOM 0 HB1 ALA A 58 12.261 4.979 10.404 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.724 6.664 10.211 1.00 0.00 H new ATOM 0 HB3 ALA A 58 10.554 5.405 10.672 1.00 0.00 H new ATOM 895 N ALA A 59 9.484 3.619 8.400 1.00 0.00 N ATOM 896 CA ALA A 59 8.993 2.271 8.168 1.00 0.00 C ATOM 897 C ALA A 59 8.943 2.004 6.662 1.00 0.00 C ATOM 898 O ALA A 59 9.596 1.086 6.169 1.00 0.00 O ATOM 899 CB ALA A 59 7.626 2.104 8.835 1.00 0.00 C ATOM 0 H ALA A 59 8.761 4.306 8.612 1.00 0.00 H new ATOM 0 HA ALA A 59 9.664 1.536 8.612 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.257 1.093 8.661 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.721 2.276 9.907 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.925 2.824 8.412 1.00 0.00 H new ATOM 905 N LEU A 60 8.162 2.823 5.973 1.00 0.00 N ATOM 906 CA LEU A 60 8.019 2.687 4.534 1.00 0.00 C ATOM 907 C LEU A 60 9.404 2.547 3.899 1.00 0.00 C ATOM 908 O LEU A 60 9.540 1.979 2.816 1.00 0.00 O ATOM 909 CB LEU A 60 7.196 3.844 3.965 1.00 0.00 C ATOM 910 CG LEU A 60 5.691 3.794 4.237 1.00 0.00 C ATOM 911 CD1 LEU A 60 5.069 5.188 4.138 1.00 0.00 C ATOM 912 CD2 LEU A 60 4.999 2.791 3.312 1.00 0.00 C ATOM 0 H LEU A 60 7.621 3.583 6.385 1.00 0.00 H new ATOM 0 HA LEU A 60 7.463 1.781 4.291 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.588 4.777 4.371 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.349 3.877 2.886 1.00 0.00 H new ATOM 0 HG LEU A 60 5.541 3.446 5.259 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.999 5.124 4.336 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.535 5.847 4.871 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.230 5.588 3.137 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.930 2.775 3.527 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.157 3.084 2.274 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.416 1.797 3.475 1.00 0.00 H new ATOM 924 N GLN A 61 10.397 3.074 4.600 1.00 0.00 N ATOM 925 CA GLN A 61 11.767 3.015 4.118 1.00 0.00 C ATOM 926 C GLN A 61 12.266 1.569 4.115 1.00 0.00 C ATOM 927 O GLN A 61 12.513 0.996 3.055 1.00 0.00 O ATOM 928 CB GLN A 61 12.682 3.910 4.957 1.00 0.00 C ATOM 929 CG GLN A 61 13.024 5.199 4.207 1.00 0.00 C ATOM 930 CD GLN A 61 14.527 5.289 3.930 1.00 0.00 C ATOM 931 OE1 GLN A 61 15.316 4.474 4.377 1.00 0.00 O ATOM 932 NE2 GLN A 61 14.875 6.323 3.169 1.00 0.00 N ATOM 0 H GLN A 61 10.280 3.544 5.498 1.00 0.00 H new ATOM 0 HA GLN A 61 11.789 3.388 3.094 1.00 0.00 H new ATOM 0 HB2 GLN A 61 12.194 4.153 5.901 1.00 0.00 H new ATOM 0 HB3 GLN A 61 13.598 3.373 5.201 1.00 0.00 H new ATOM 0 HG2 GLN A 61 12.474 5.234 3.266 1.00 0.00 H new ATOM 0 HG3 GLN A 61 12.706 6.061 4.794 1.00 0.00 H new ATOM 0 HE21 GLN A 61 14.162 6.968 2.828 1.00 0.00 H new ATOM 0 HE22 GLN A 61 15.855 6.471 2.926 1.00 0.00 H new ATOM 941 N LYS A 62 12.401 1.021 5.314 1.00 0.00 N ATOM 942 CA LYS A 62 12.867 -0.348 5.463 1.00 0.00 C ATOM 943 C LYS A 62 12.235 -1.219 4.376 1.00 0.00 C ATOM 944 O LYS A 62 12.830 -2.203 3.939 1.00 0.00 O ATOM 945 CB LYS A 62 12.605 -0.851 6.884 1.00 0.00 C ATOM 946 CG LYS A 62 13.834 -0.649 7.772 1.00 0.00 C ATOM 947 CD LYS A 62 13.984 -1.799 8.771 1.00 0.00 C ATOM 948 CE LYS A 62 15.106 -2.749 8.349 1.00 0.00 C ATOM 949 NZ LYS A 62 15.677 -3.434 9.530 1.00 0.00 N ATOM 0 H LYS A 62 12.196 1.500 6.191 1.00 0.00 H new ATOM 0 HA LYS A 62 13.947 -0.400 5.325 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.753 -0.321 7.310 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.341 -1.908 6.857 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.728 -0.582 7.152 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.748 0.295 8.309 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.195 -1.399 9.763 1.00 0.00 H new ATOM 0 HD3 LYS A 62 13.045 -2.348 8.842 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.721 -3.486 7.645 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.887 -2.192 7.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 16.437 -4.075 9.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 16.063 -2.727 10.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 14.933 -3.982 10.007 1.00 0.00 H new ATOM 963 N VAL A 63 11.037 -0.825 3.969 1.00 0.00 N ATOM 964 CA VAL A 63 10.317 -1.557 2.941 1.00 0.00 C ATOM 965 C VAL A 63 10.942 -1.258 1.576 1.00 0.00 C ATOM 966 O VAL A 63 11.549 -2.134 0.962 1.00 0.00 O ATOM 967 CB VAL A 63 8.826 -1.218 3.003 1.00 0.00 C ATOM 968 CG1 VAL A 63 8.070 -1.856 1.836 1.00 0.00 C ATOM 969 CG2 VAL A 63 8.223 -1.643 4.344 1.00 0.00 C ATOM 0 H VAL A 63 10.547 -0.008 4.333 1.00 0.00 H new ATOM 0 HA VAL A 63 10.399 -2.631 3.109 1.00 0.00 H new ATOM 0 HB VAL A 63 8.724 -0.136 2.917 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.013 -1.600 1.904 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.474 -1.484 0.894 1.00 0.00 H new ATOM 0 HG13 VAL A 63 8.184 -2.939 1.877 1.00 0.00 H new ATOM 0 HG21 VAL A 63 7.163 -1.391 4.362 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.342 -2.719 4.472 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.734 -1.122 5.154 1.00 0.00 H new ATOM 979 N PHE A 64 10.770 -0.018 1.142 1.00 0.00 N ATOM 980 CA PHE A 64 11.309 0.407 -0.139 1.00 0.00 C ATOM 981 C PHE A 64 12.797 0.746 -0.022 1.00 0.00 C ATOM 982 O PHE A 64 13.639 0.077 -0.618 1.00 0.00 O ATOM 983 CB PHE A 64 10.542 1.664 -0.552 1.00 0.00 C ATOM 984 CG PHE A 64 9.022 1.488 -0.570 1.00 0.00 C ATOM 985 CD1 PHE A 64 8.449 0.619 -1.444 1.00 0.00 C ATOM 986 CD2 PHE A 64 8.245 2.202 0.289 1.00 0.00 C ATOM 987 CE1 PHE A 64 7.038 0.455 -1.461 1.00 0.00 C ATOM 988 CE2 PHE A 64 6.835 2.038 0.272 1.00 0.00 C ATOM 989 CZ PHE A 64 6.261 1.168 -0.602 1.00 0.00 C ATOM 0 H PHE A 64 10.265 0.706 1.654 1.00 0.00 H new ATOM 0 HA PHE A 64 11.203 -0.393 -0.872 1.00 0.00 H new ATOM 0 HB2 PHE A 64 10.796 2.473 0.133 1.00 0.00 H new ATOM 0 HB3 PHE A 64 10.874 1.970 -1.544 1.00 0.00 H new ATOM 0 HD1 PHE A 64 9.067 0.053 -2.126 1.00 0.00 H new ATOM 0 HD2 PHE A 64 8.701 2.893 0.983 1.00 0.00 H new ATOM 0 HE1 PHE A 64 6.583 -0.235 -2.156 1.00 0.00 H new ATOM 0 HE2 PHE A 64 6.218 2.604 0.953 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.188 1.043 -0.614 1.00 0.00 H new ATOM 999 N GLY A 65 13.075 1.786 0.750 1.00 0.00 N ATOM 1000 CA GLY A 65 14.445 2.223 0.953 1.00 0.00 C ATOM 1001 C GLY A 65 14.702 3.563 0.260 1.00 0.00 C ATOM 1002 O GLY A 65 15.843 4.015 0.178 1.00 0.00 O ATOM 0 H GLY A 65 12.374 2.339 1.243 1.00 0.00 H new ATOM 0 HA2 GLY A 65 14.646 2.317 2.020 1.00 0.00 H new ATOM 0 HA3 GLY A 65 15.132 1.471 0.564 1.00 0.00 H new ATOM 1006 N GLU A 66 13.622 4.160 -0.222 1.00 0.00 N ATOM 1007 CA GLU A 66 13.716 5.439 -0.906 1.00 0.00 C ATOM 1008 C GLU A 66 12.958 6.515 -0.126 1.00 0.00 C ATOM 1009 O GLU A 66 12.094 6.201 0.692 1.00 0.00 O ATOM 1010 CB GLU A 66 13.196 5.333 -2.341 1.00 0.00 C ATOM 1011 CG GLU A 66 14.038 4.351 -3.158 1.00 0.00 C ATOM 1012 CD GLU A 66 14.674 5.046 -4.364 1.00 0.00 C ATOM 1013 OE1 GLU A 66 13.908 5.380 -5.295 1.00 0.00 O ATOM 1014 OE2 GLU A 66 15.910 5.228 -4.329 1.00 0.00 O ATOM 0 H GLU A 66 12.677 3.782 -0.153 1.00 0.00 H new ATOM 0 HA GLU A 66 14.766 5.726 -0.956 1.00 0.00 H new ATOM 0 HB2 GLU A 66 12.156 5.006 -2.332 1.00 0.00 H new ATOM 0 HB3 GLU A 66 13.217 6.315 -2.813 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.817 3.923 -2.528 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.413 3.525 -3.497 1.00 0.00 H new ATOM 1021 N GLU A 67 13.309 7.761 -0.406 1.00 0.00 N ATOM 1022 CA GLU A 67 12.672 8.885 0.260 1.00 0.00 C ATOM 1023 C GLU A 67 11.178 8.920 -0.069 1.00 0.00 C ATOM 1024 O GLU A 67 10.345 9.049 0.827 1.00 0.00 O ATOM 1025 CB GLU A 67 13.348 10.203 -0.123 1.00 0.00 C ATOM 1026 CG GLU A 67 13.251 10.453 -1.629 1.00 0.00 C ATOM 1027 CD GLU A 67 14.126 11.636 -2.047 1.00 0.00 C ATOM 1028 OE1 GLU A 67 13.642 12.779 -1.903 1.00 0.00 O ATOM 1029 OE2 GLU A 67 15.260 11.370 -2.502 1.00 0.00 O ATOM 0 H GLU A 67 14.026 8.018 -1.085 1.00 0.00 H new ATOM 0 HA GLU A 67 12.784 8.756 1.336 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.879 11.026 0.417 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.395 10.179 0.178 1.00 0.00 H new ATOM 0 HG2 GLU A 67 13.560 9.559 -2.170 1.00 0.00 H new ATOM 0 HG3 GLU A 67 12.214 10.649 -1.903 1.00 0.00 H new ATOM 1036 N LYS A 68 10.885 8.802 -1.356 1.00 0.00 N ATOM 1037 CA LYS A 68 9.506 8.818 -1.814 1.00 0.00 C ATOM 1038 C LYS A 68 9.321 7.754 -2.897 1.00 0.00 C ATOM 1039 O LYS A 68 10.296 7.262 -3.462 1.00 0.00 O ATOM 1040 CB LYS A 68 9.106 10.226 -2.259 1.00 0.00 C ATOM 1041 CG LYS A 68 9.848 10.629 -3.536 1.00 0.00 C ATOM 1042 CD LYS A 68 8.980 11.535 -4.411 1.00 0.00 C ATOM 1043 CE LYS A 68 9.457 11.514 -5.864 1.00 0.00 C ATOM 1044 NZ LYS A 68 10.482 12.558 -6.089 1.00 0.00 N ATOM 0 H LYS A 68 11.579 8.695 -2.096 1.00 0.00 H new ATOM 0 HA LYS A 68 8.830 8.563 -0.998 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.030 10.265 -2.431 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.328 10.939 -1.465 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.772 11.145 -3.276 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.128 9.736 -4.096 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.941 11.208 -4.361 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.012 12.555 -4.029 1.00 0.00 H new ATOM 0 HE2 LYS A 68 9.869 10.534 -6.103 1.00 0.00 H new ATOM 0 HE3 LYS A 68 8.612 11.676 -6.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.795 12.530 -7.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.077 13.493 -5.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.296 12.386 -5.464 1.00 0.00 H new ATOM 1058 N LEU A 69 8.062 7.431 -3.155 1.00 0.00 N ATOM 1059 CA LEU A 69 7.736 6.434 -4.161 1.00 0.00 C ATOM 1060 C LEU A 69 6.407 6.801 -4.824 1.00 0.00 C ATOM 1061 O LEU A 69 5.666 7.640 -4.315 1.00 0.00 O ATOM 1062 CB LEU A 69 7.752 5.031 -3.550 1.00 0.00 C ATOM 1063 CG LEU A 69 8.651 4.007 -4.246 1.00 0.00 C ATOM 1064 CD1 LEU A 69 9.535 3.277 -3.233 1.00 0.00 C ATOM 1065 CD2 LEU A 69 7.824 3.036 -5.090 1.00 0.00 C ATOM 0 H LEU A 69 7.256 7.842 -2.685 1.00 0.00 H new ATOM 0 HA LEU A 69 8.492 6.423 -4.946 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.066 5.113 -2.509 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.732 4.646 -3.546 1.00 0.00 H new ATOM 0 HG LEU A 69 9.314 4.540 -4.927 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.164 2.555 -3.753 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.165 3.999 -2.713 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.907 2.757 -2.510 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.487 2.319 -5.574 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.121 2.505 -4.449 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.274 3.592 -5.850 1.00 0.00 H new ATOM 1077 N LYS A 70 6.147 6.155 -5.952 1.00 0.00 N ATOM 1078 CA LYS A 70 4.921 6.403 -6.690 1.00 0.00 C ATOM 1079 C LYS A 70 3.800 5.533 -6.116 1.00 0.00 C ATOM 1080 O LYS A 70 3.991 4.339 -5.889 1.00 0.00 O ATOM 1081 CB LYS A 70 5.148 6.202 -8.190 1.00 0.00 C ATOM 1082 CG LYS A 70 6.400 6.947 -8.659 1.00 0.00 C ATOM 1083 CD LYS A 70 6.847 6.454 -10.037 1.00 0.00 C ATOM 1084 CE LYS A 70 6.934 7.613 -11.032 1.00 0.00 C ATOM 1085 NZ LYS A 70 6.312 7.237 -12.321 1.00 0.00 N ATOM 0 H LYS A 70 6.765 5.461 -6.372 1.00 0.00 H new ATOM 0 HA LYS A 70 4.611 7.441 -6.574 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.250 5.139 -8.407 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.279 6.558 -8.744 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.197 8.017 -8.700 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.205 6.803 -7.938 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.818 5.966 -9.955 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.145 5.706 -10.405 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.434 8.490 -10.622 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.977 7.886 -11.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.380 8.035 -12.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.807 6.413 -12.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.311 6.999 -12.167 1.00 0.00 H new ATOM 1099 N PHE A 71 2.656 6.165 -5.899 1.00 0.00 N ATOM 1100 CA PHE A 71 1.505 5.464 -5.356 1.00 0.00 C ATOM 1101 C PHE A 71 1.148 4.249 -6.215 1.00 0.00 C ATOM 1102 O PHE A 71 0.468 3.335 -5.751 1.00 0.00 O ATOM 1103 CB PHE A 71 0.333 6.448 -5.373 1.00 0.00 C ATOM 1104 CG PHE A 71 0.250 7.337 -4.131 1.00 0.00 C ATOM 1105 CD1 PHE A 71 0.176 6.775 -2.895 1.00 0.00 C ATOM 1106 CD2 PHE A 71 0.249 8.691 -4.263 1.00 0.00 C ATOM 1107 CE1 PHE A 71 0.099 7.600 -1.742 1.00 0.00 C ATOM 1108 CE2 PHE A 71 0.172 9.517 -3.110 1.00 0.00 C ATOM 1109 CZ PHE A 71 0.098 8.954 -1.874 1.00 0.00 C ATOM 0 H PHE A 71 2.502 7.155 -6.089 1.00 0.00 H new ATOM 0 HA PHE A 71 1.725 5.111 -4.349 1.00 0.00 H new ATOM 0 HB2 PHE A 71 0.417 7.082 -6.256 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.597 5.888 -5.469 1.00 0.00 H new ATOM 0 HD1 PHE A 71 0.176 5.700 -2.790 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.307 9.138 -5.245 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.041 7.153 -0.761 1.00 0.00 H new ATOM 0 HE2 PHE A 71 0.172 10.592 -3.215 1.00 0.00 H new ATOM 0 HZ PHE A 71 0.038 9.582 -0.997 1.00 0.00 H new ATOM 1119 N THR A 72 1.623 4.279 -7.451 1.00 0.00 N ATOM 1120 CA THR A 72 1.363 3.191 -8.379 1.00 0.00 C ATOM 1121 C THR A 72 2.471 2.140 -8.293 1.00 0.00 C ATOM 1122 O THR A 72 2.192 0.944 -8.215 1.00 0.00 O ATOM 1123 CB THR A 72 1.201 3.791 -9.777 1.00 0.00 C ATOM 1124 OG1 THR A 72 2.448 4.436 -10.025 1.00 0.00 O ATOM 1125 CG2 THR A 72 0.180 4.930 -9.812 1.00 0.00 C ATOM 0 H THR A 72 2.186 5.039 -7.832 1.00 0.00 H new ATOM 0 HA THR A 72 0.441 2.667 -8.126 1.00 0.00 H new ATOM 0 HB THR A 72 0.897 3.010 -10.473 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.431 4.851 -10.913 1.00 0.00 H new ATOM 0 HG21 THR A 72 0.104 5.320 -10.827 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.793 4.556 -9.493 1.00 0.00 H new ATOM 0 HG23 THR A 72 0.501 5.727 -9.141 1.00 0.00 H new ATOM 1133 N MET A 73 3.704 2.624 -8.310 1.00 0.00 N ATOM 1134 CA MET A 73 4.855 1.740 -8.235 1.00 0.00 C ATOM 1135 C MET A 73 4.798 0.871 -6.978 1.00 0.00 C ATOM 1136 O MET A 73 5.404 -0.199 -6.931 1.00 0.00 O ATOM 1137 CB MET A 73 6.138 2.574 -8.222 1.00 0.00 C ATOM 1138 CG MET A 73 6.308 3.340 -9.535 1.00 0.00 C ATOM 1139 SD MET A 73 6.929 2.248 -10.803 1.00 0.00 S ATOM 1140 CE MET A 73 8.628 2.098 -10.279 1.00 0.00 C ATOM 0 H MET A 73 3.931 3.616 -8.375 1.00 0.00 H new ATOM 0 HA MET A 73 4.845 1.085 -9.107 1.00 0.00 H new ATOM 0 HB2 MET A 73 6.111 3.276 -7.388 1.00 0.00 H new ATOM 0 HB3 MET A 73 6.998 1.923 -8.063 1.00 0.00 H new ATOM 0 HG2 MET A 73 5.353 3.764 -9.845 1.00 0.00 H new ATOM 0 HG3 MET A 73 6.996 4.174 -9.393 1.00 0.00 H new ATOM 0 HE1 MET A 73 9.288 2.289 -11.125 1.00 0.00 H new ATOM 0 HE2 MET A 73 8.831 2.822 -9.490 1.00 0.00 H new ATOM 0 HE3 MET A 73 8.805 1.091 -9.902 1.00 0.00 H new ATOM 1150 N VAL A 74 4.065 1.362 -5.990 1.00 0.00 N ATOM 1151 CA VAL A 74 3.921 0.643 -4.736 1.00 0.00 C ATOM 1152 C VAL A 74 3.780 -0.853 -5.024 1.00 0.00 C ATOM 1153 O VAL A 74 4.568 -1.660 -4.534 1.00 0.00 O ATOM 1154 CB VAL A 74 2.745 1.212 -3.939 1.00 0.00 C ATOM 1155 CG1 VAL A 74 2.267 0.216 -2.880 1.00 0.00 C ATOM 1156 CG2 VAL A 74 3.112 2.554 -3.303 1.00 0.00 C ATOM 0 H VAL A 74 3.564 2.250 -6.033 1.00 0.00 H new ATOM 0 HA VAL A 74 4.809 0.772 -4.117 1.00 0.00 H new ATOM 0 HB VAL A 74 1.922 1.384 -4.633 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.431 0.645 -2.328 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.946 -0.706 -3.366 1.00 0.00 H new ATOM 0 HG13 VAL A 74 3.083 -0.002 -2.191 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.259 2.936 -2.743 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.958 2.418 -2.629 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.381 3.265 -4.084 1.00 0.00 H new ATOM 1166 N SER A 75 2.769 -1.178 -5.817 1.00 0.00 N ATOM 1167 CA SER A 75 2.515 -2.563 -6.176 1.00 0.00 C ATOM 1168 C SER A 75 3.814 -3.234 -6.626 1.00 0.00 C ATOM 1169 O SER A 75 4.200 -4.270 -6.088 1.00 0.00 O ATOM 1170 CB SER A 75 1.458 -2.661 -7.278 1.00 0.00 C ATOM 1171 OG SER A 75 0.802 -3.926 -7.277 1.00 0.00 O ATOM 0 H SER A 75 2.116 -0.506 -6.221 1.00 0.00 H new ATOM 0 HA SER A 75 2.133 -3.080 -5.296 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.720 -1.870 -7.144 1.00 0.00 H new ATOM 0 HB3 SER A 75 1.929 -2.497 -8.247 1.00 0.00 H new ATOM 0 HG SER A 75 0.664 -4.223 -8.200 1.00 0.00 H new ATOM 1177 N GLN A 76 4.453 -2.615 -7.608 1.00 0.00 N ATOM 1178 CA GLN A 76 5.701 -3.140 -8.136 1.00 0.00 C ATOM 1179 C GLN A 76 6.734 -3.281 -7.016 1.00 0.00 C ATOM 1180 O GLN A 76 7.713 -4.012 -7.158 1.00 0.00 O ATOM 1181 CB GLN A 76 6.234 -2.254 -9.265 1.00 0.00 C ATOM 1182 CG GLN A 76 7.062 -3.072 -10.258 1.00 0.00 C ATOM 1183 CD GLN A 76 7.196 -2.338 -11.594 1.00 0.00 C ATOM 1184 OE1 GLN A 76 6.314 -1.613 -12.025 1.00 0.00 O ATOM 1185 NE2 GLN A 76 8.345 -2.565 -12.223 1.00 0.00 N ATOM 0 H GLN A 76 4.130 -1.755 -8.052 1.00 0.00 H new ATOM 0 HA GLN A 76 5.509 -4.129 -8.553 1.00 0.00 H new ATOM 0 HB2 GLN A 76 5.401 -1.780 -9.784 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.846 -1.455 -8.847 1.00 0.00 H new ATOM 0 HG2 GLN A 76 8.052 -3.262 -9.842 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.591 -4.042 -10.417 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.041 -3.183 -11.806 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.531 -2.121 -13.122 1.00 0.00 H new ATOM 1194 N LYS A 77 6.480 -2.570 -5.927 1.00 0.00 N ATOM 1195 CA LYS A 77 7.375 -2.607 -4.784 1.00 0.00 C ATOM 1196 C LYS A 77 6.867 -3.641 -3.777 1.00 0.00 C ATOM 1197 O LYS A 77 7.457 -4.710 -3.628 1.00 0.00 O ATOM 1198 CB LYS A 77 7.549 -1.207 -4.193 1.00 0.00 C ATOM 1199 CG LYS A 77 8.498 -0.365 -5.048 1.00 0.00 C ATOM 1200 CD LYS A 77 9.958 -0.720 -4.758 1.00 0.00 C ATOM 1201 CE LYS A 77 10.876 0.475 -5.022 1.00 0.00 C ATOM 1202 NZ LYS A 77 12.127 0.032 -5.678 1.00 0.00 N ATOM 0 H LYS A 77 5.667 -1.965 -5.813 1.00 0.00 H new ATOM 0 HA LYS A 77 8.372 -2.924 -5.091 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.579 -0.714 -4.126 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.939 -1.283 -3.178 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.283 -0.528 -6.104 1.00 0.00 H new ATOM 0 HG3 LYS A 77 8.331 0.693 -4.848 1.00 0.00 H new ATOM 0 HD2 LYS A 77 10.059 -1.039 -3.721 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.262 -1.561 -5.381 1.00 0.00 H new ATOM 0 HE2 LYS A 77 10.365 1.202 -5.654 1.00 0.00 H new ATOM 0 HE3 LYS A 77 11.109 0.977 -4.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 12.739 0.855 -5.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 12.622 -0.644 -5.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 11.901 -0.427 -6.584 1.00 0.00 H new ATOM 1216 N ILE A 78 5.777 -3.286 -3.112 1.00 0.00 N ATOM 1217 CA ILE A 78 5.183 -4.169 -2.123 1.00 0.00 C ATOM 1218 C ILE A 78 5.266 -5.614 -2.621 1.00 0.00 C ATOM 1219 O ILE A 78 5.560 -6.524 -1.848 1.00 0.00 O ATOM 1220 CB ILE A 78 3.761 -3.716 -1.785 1.00 0.00 C ATOM 1221 CG1 ILE A 78 2.886 -3.677 -3.040 1.00 0.00 C ATOM 1222 CG2 ILE A 78 3.774 -2.372 -1.053 1.00 0.00 C ATOM 1223 CD1 ILE A 78 2.125 -4.992 -3.218 1.00 0.00 C ATOM 0 H ILE A 78 5.290 -2.399 -3.239 1.00 0.00 H new ATOM 0 HA ILE A 78 5.739 -4.121 -1.187 1.00 0.00 H new ATOM 0 HB ILE A 78 3.320 -4.447 -1.108 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.179 -2.850 -2.969 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.508 -3.491 -3.916 1.00 0.00 H new ATOM 0 HG21 ILE A 78 2.751 -2.072 -0.824 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.340 -2.468 -0.126 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.240 -1.617 -1.686 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.511 -4.938 -4.117 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.835 -5.813 -3.312 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.486 -5.163 -2.352 1.00 0.00 H new ATOM 1235 N SER A 79 5.000 -5.778 -3.908 1.00 0.00 N ATOM 1236 CA SER A 79 5.041 -7.097 -4.518 1.00 0.00 C ATOM 1237 C SER A 79 6.298 -7.843 -4.066 1.00 0.00 C ATOM 1238 O SER A 79 6.224 -9.005 -3.668 1.00 0.00 O ATOM 1239 CB SER A 79 5.001 -6.999 -6.044 1.00 0.00 C ATOM 1240 OG SER A 79 3.718 -6.602 -6.521 1.00 0.00 O ATOM 0 H SER A 79 4.755 -5.020 -4.546 1.00 0.00 H new ATOM 0 HA SER A 79 4.161 -7.652 -4.194 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.750 -6.283 -6.381 1.00 0.00 H new ATOM 0 HB3 SER A 79 5.266 -7.964 -6.476 1.00 0.00 H new ATOM 0 HG SER A 79 3.542 -5.676 -6.253 1.00 0.00 H new ATOM 1246 N HIS A 80 7.421 -7.146 -4.144 1.00 0.00 N ATOM 1247 CA HIS A 80 8.692 -7.729 -3.748 1.00 0.00 C ATOM 1248 C HIS A 80 8.569 -8.323 -2.343 1.00 0.00 C ATOM 1249 O HIS A 80 9.209 -9.326 -2.032 1.00 0.00 O ATOM 1250 CB HIS A 80 9.820 -6.701 -3.859 1.00 0.00 C ATOM 1251 CG HIS A 80 11.097 -7.112 -3.166 1.00 0.00 C ATOM 1252 ND1 HIS A 80 12.255 -7.427 -3.855 1.00 0.00 N ATOM 1253 CD2 HIS A 80 11.385 -7.255 -1.841 1.00 0.00 C ATOM 1254 CE1 HIS A 80 13.192 -7.745 -2.973 1.00 0.00 C ATOM 1255 NE2 HIS A 80 12.651 -7.638 -1.726 1.00 0.00 N ATOM 0 H HIS A 80 7.478 -6.183 -4.475 1.00 0.00 H new ATOM 0 HA HIS A 80 8.950 -8.541 -4.428 1.00 0.00 H new ATOM 0 HB2 HIS A 80 10.032 -6.522 -4.913 1.00 0.00 H new ATOM 0 HB3 HIS A 80 9.478 -5.755 -3.438 1.00 0.00 H new ATOM 0 HD2 HIS A 80 10.700 -7.085 -1.024 1.00 0.00 H new ATOM 0 HE1 HIS A 80 14.206 -8.038 -3.202 1.00 0.00 H new ATOM 0 HE2 HIS A 80 13.139 -7.822 -0.849 1.00 0.00 H new ATOM 1263 N HIS A 81 7.742 -7.679 -1.533 1.00 0.00 N ATOM 1264 CA HIS A 81 7.526 -8.132 -0.170 1.00 0.00 C ATOM 1265 C HIS A 81 6.405 -9.173 -0.145 1.00 0.00 C ATOM 1266 O HIS A 81 6.464 -10.135 0.618 1.00 0.00 O ATOM 1267 CB HIS A 81 7.255 -6.947 0.760 1.00 0.00 C ATOM 1268 CG HIS A 81 8.346 -5.902 0.757 1.00 0.00 C ATOM 1269 ND1 HIS A 81 9.618 -6.145 1.245 1.00 0.00 N ATOM 1270 CD2 HIS A 81 8.341 -4.610 0.319 1.00 0.00 C ATOM 1271 CE1 HIS A 81 10.337 -5.041 1.104 1.00 0.00 C ATOM 1272 NE2 HIS A 81 9.545 -4.091 0.531 1.00 0.00 N ATOM 0 H HIS A 81 7.213 -6.847 -1.795 1.00 0.00 H new ATOM 0 HA HIS A 81 8.430 -8.614 0.203 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.315 -6.477 0.469 1.00 0.00 H new ATOM 0 HB3 HIS A 81 7.124 -7.318 1.776 1.00 0.00 H new ATOM 0 HD2 HIS A 81 7.501 -4.097 -0.125 1.00 0.00 H new ATOM 0 HE1 HIS A 81 11.370 -4.916 1.393 1.00 0.00 H new ATOM 0 HE2 HIS A 81 9.830 -3.139 0.303 1.00 0.00 H new ATOM 1280 N LEU A 82 5.410 -8.944 -0.990 1.00 0.00 N ATOM 1281 CA LEU A 82 4.277 -9.849 -1.075 1.00 0.00 C ATOM 1282 C LEU A 82 4.787 -11.289 -1.175 1.00 0.00 C ATOM 1283 O LEU A 82 5.500 -11.634 -2.116 1.00 0.00 O ATOM 1284 CB LEU A 82 3.352 -9.444 -2.223 1.00 0.00 C ATOM 1285 CG LEU A 82 2.770 -8.030 -2.149 1.00 0.00 C ATOM 1286 CD1 LEU A 82 1.720 -7.812 -3.240 1.00 0.00 C ATOM 1287 CD2 LEU A 82 2.216 -7.739 -0.753 1.00 0.00 C ATOM 0 H LEU A 82 5.365 -8.144 -1.622 1.00 0.00 H new ATOM 0 HA LEU A 82 3.671 -9.786 -0.171 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.903 -9.540 -3.158 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.526 -10.154 -2.265 1.00 0.00 H new ATOM 0 HG LEU A 82 3.575 -7.318 -2.331 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.322 -6.800 -3.165 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.179 -7.950 -4.219 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.910 -8.530 -3.114 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.808 -6.728 -0.727 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.428 -8.454 -0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.016 -7.827 -0.018 1.00 0.00 H new ATOM 1299 N SER A 83 4.402 -12.089 -0.191 1.00 0.00 N ATOM 1300 CA SER A 83 4.811 -13.482 -0.157 1.00 0.00 C ATOM 1301 C SER A 83 3.596 -14.379 0.092 1.00 0.00 C ATOM 1302 O SER A 83 2.547 -13.902 0.523 1.00 0.00 O ATOM 1303 CB SER A 83 5.874 -13.718 0.918 1.00 0.00 C ATOM 1304 OG SER A 83 7.195 -13.609 0.396 1.00 0.00 O ATOM 0 H SER A 83 3.811 -11.799 0.588 1.00 0.00 H new ATOM 0 HA SER A 83 5.248 -13.733 -1.123 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.742 -12.995 1.723 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.737 -14.708 1.352 1.00 0.00 H new ATOM 0 HG SER A 83 7.844 -13.765 1.114 1.00 0.00 H new ATOM 1310 N PRO A 84 3.783 -15.694 -0.198 1.00 0.00 N ATOM 1311 CA PRO A 84 2.715 -16.661 -0.011 1.00 0.00 C ATOM 1312 C PRO A 84 2.519 -16.980 1.473 1.00 0.00 C ATOM 1313 O PRO A 84 3.461 -17.380 2.155 1.00 0.00 O ATOM 1314 CB PRO A 84 3.132 -17.872 -0.829 1.00 0.00 C ATOM 1315 CG PRO A 84 4.626 -17.720 -1.066 1.00 0.00 C ATOM 1316 CD PRO A 84 5.012 -16.294 -0.711 1.00 0.00 C ATOM 0 HA PRO A 84 1.746 -16.288 -0.344 1.00 0.00 H new ATOM 0 HB2 PRO A 84 2.913 -18.797 -0.296 1.00 0.00 H new ATOM 0 HB3 PRO A 84 2.589 -17.912 -1.773 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.183 -18.430 -0.455 1.00 0.00 H new ATOM 0 HG3 PRO A 84 4.871 -17.934 -2.106 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.805 -16.273 0.037 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.382 -15.755 -1.583 1.00 0.00 H new ATOM 1324 N PRO A 85 1.257 -16.787 1.940 1.00 0.00 N ATOM 1325 CA PRO A 85 0.925 -17.050 3.330 1.00 0.00 C ATOM 1326 C PRO A 85 0.831 -18.554 3.596 1.00 0.00 C ATOM 1327 O PRO A 85 0.898 -19.358 2.668 1.00 0.00 O ATOM 1328 CB PRO A 85 -0.388 -16.322 3.566 1.00 0.00 C ATOM 1329 CG PRO A 85 -0.977 -16.068 2.188 1.00 0.00 C ATOM 1330 CD PRO A 85 0.116 -16.315 1.161 1.00 0.00 C ATOM 0 HA PRO A 85 1.691 -16.695 4.020 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -1.064 -16.923 4.175 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -0.225 -15.386 4.100 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.826 -16.728 2.008 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -1.347 -15.045 2.113 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.194 -17.056 0.424 1.00 0.00 H new ATOM 0 HD3 PRO A 85 0.359 -15.404 0.615 1.00 0.00 H new ATOM 1338 N PRO A 86 0.672 -18.898 4.903 1.00 0.00 N ATOM 1339 CA PRO A 86 0.568 -20.291 5.303 1.00 0.00 C ATOM 1340 C PRO A 86 -0.807 -20.861 4.950 1.00 0.00 C ATOM 1341 O PRO A 86 -1.819 -20.446 5.513 1.00 0.00 O ATOM 1342 CB PRO A 86 0.846 -20.293 6.797 1.00 0.00 C ATOM 1343 CG PRO A 86 0.636 -18.861 7.262 1.00 0.00 C ATOM 1344 CD PRO A 86 0.588 -17.973 6.029 1.00 0.00 C ATOM 0 HA PRO A 86 1.276 -20.933 4.779 1.00 0.00 H new ATOM 0 HB2 PRO A 86 0.175 -20.975 7.318 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.863 -20.626 7.005 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -0.290 -18.776 7.830 1.00 0.00 H new ATOM 0 HG3 PRO A 86 1.445 -18.552 7.924 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.333 -17.391 5.996 1.00 0.00 H new ATOM 0 HD3 PRO A 86 1.414 -17.262 6.020 1.00 0.00 H new ATOM 1352 N PRO A 87 -0.800 -21.829 3.994 1.00 0.00 N ATOM 1353 CA PRO A 87 -2.034 -22.461 3.559 1.00 0.00 C ATOM 1354 C PRO A 87 -2.542 -23.452 4.608 1.00 0.00 C ATOM 1355 O PRO A 87 -1.978 -23.553 5.697 1.00 0.00 O ATOM 1356 CB PRO A 87 -1.692 -23.122 2.234 1.00 0.00 C ATOM 1357 CG PRO A 87 -0.176 -23.233 2.203 1.00 0.00 C ATOM 1358 CD PRO A 87 0.379 -22.346 3.305 1.00 0.00 C ATOM 0 HA PRO A 87 -2.850 -21.749 3.435 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -2.157 -24.105 2.156 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -2.057 -22.529 1.396 1.00 0.00 H new ATOM 0 HG2 PRO A 87 0.134 -24.267 2.353 1.00 0.00 H new ATOM 0 HG3 PRO A 87 0.210 -22.922 1.232 1.00 0.00 H new ATOM 0 HD2 PRO A 87 1.018 -22.911 3.984 1.00 0.00 H new ATOM 0 HD3 PRO A 87 0.985 -21.538 2.895 1.00 0.00 H new ATOM 1366 N SER A 88 -3.602 -24.158 4.244 1.00 0.00 N ATOM 1367 CA SER A 88 -4.193 -25.138 5.140 1.00 0.00 C ATOM 1368 C SER A 88 -4.528 -24.484 6.482 1.00 0.00 C ATOM 1369 O SER A 88 -3.639 -24.234 7.295 1.00 0.00 O ATOM 1370 CB SER A 88 -3.255 -26.328 5.350 1.00 0.00 C ATOM 1371 OG SER A 88 -3.679 -27.477 4.622 1.00 0.00 O ATOM 0 H SER A 88 -4.067 -24.071 3.341 1.00 0.00 H new ATOM 0 HA SER A 88 -5.111 -25.509 4.684 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.247 -26.054 5.040 1.00 0.00 H new ATOM 0 HB3 SER A 88 -3.207 -26.569 6.412 1.00 0.00 H new ATOM 0 HG SER A 88 -3.053 -28.214 4.781 1.00 0.00 H new ATOM 1377 N GLY A 89 -5.814 -24.226 6.673 1.00 0.00 N ATOM 1378 CA GLY A 89 -6.278 -23.606 7.903 1.00 0.00 C ATOM 1379 C GLY A 89 -6.106 -24.552 9.093 1.00 0.00 C ATOM 1380 O GLY A 89 -5.138 -25.309 9.154 1.00 0.00 O ATOM 0 H GLY A 89 -6.549 -24.435 5.997 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.722 -22.686 8.082 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.328 -23.330 7.802 1.00 0.00 H new ATOM 1384 N PRO A 90 -7.085 -24.477 10.034 1.00 0.00 N ATOM 1385 CA PRO A 90 -7.051 -25.317 11.218 1.00 0.00 C ATOM 1386 C PRO A 90 -7.440 -26.758 10.880 1.00 0.00 C ATOM 1387 O PRO A 90 -8.362 -26.988 10.099 1.00 0.00 O ATOM 1388 CB PRO A 90 -8.010 -24.657 12.196 1.00 0.00 C ATOM 1389 CG PRO A 90 -8.892 -23.742 11.362 1.00 0.00 C ATOM 1390 CD PRO A 90 -8.246 -23.592 9.994 1.00 0.00 C ATOM 0 HA PRO A 90 -6.053 -25.395 11.650 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -8.607 -25.403 12.721 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -7.467 -24.092 12.954 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -9.894 -24.160 11.267 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -8.997 -22.770 11.843 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -8.934 -23.877 9.198 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -7.951 -22.560 9.806 1.00 0.00 H new ATOM 1398 N SER A 91 -6.718 -27.689 11.485 1.00 0.00 N ATOM 1399 CA SER A 91 -6.976 -29.101 11.257 1.00 0.00 C ATOM 1400 C SER A 91 -8.480 -29.375 11.322 1.00 0.00 C ATOM 1401 O SER A 91 -9.094 -29.240 12.379 1.00 0.00 O ATOM 1402 CB SER A 91 -6.234 -29.968 12.277 1.00 0.00 C ATOM 1403 OG SER A 91 -6.252 -31.347 11.919 1.00 0.00 O ATOM 0 H SER A 91 -5.955 -27.494 12.133 1.00 0.00 H new ATOM 0 HA SER A 91 -6.608 -29.360 10.264 1.00 0.00 H new ATOM 0 HB2 SER A 91 -5.202 -29.628 12.359 1.00 0.00 H new ATOM 0 HB3 SER A 91 -6.690 -29.842 13.259 1.00 0.00 H new ATOM 0 HG SER A 91 -5.767 -31.866 12.594 1.00 0.00 H new ATOM 1409 N SER A 92 -9.029 -29.756 10.178 1.00 0.00 N ATOM 1410 CA SER A 92 -10.449 -30.051 10.091 1.00 0.00 C ATOM 1411 C SER A 92 -10.781 -31.281 10.937 1.00 0.00 C ATOM 1412 O SER A 92 -11.552 -31.194 11.891 1.00 0.00 O ATOM 1413 CB SER A 92 -10.878 -30.273 8.639 1.00 0.00 C ATOM 1414 OG SER A 92 -12.118 -29.637 8.345 1.00 0.00 O ATOM 0 H SER A 92 -8.516 -29.867 9.303 1.00 0.00 H new ATOM 0 HA SER A 92 -11.000 -29.194 10.477 1.00 0.00 H new ATOM 0 HB2 SER A 92 -10.107 -29.890 7.971 1.00 0.00 H new ATOM 0 HB3 SER A 92 -10.964 -31.342 8.446 1.00 0.00 H new ATOM 0 HG SER A 92 -12.356 -29.801 7.409 1.00 0.00 H new ATOM 1420 N GLY A 93 -10.182 -32.401 10.556 1.00 0.00 N ATOM 1421 CA GLY A 93 -10.404 -33.648 11.268 1.00 0.00 C ATOM 1422 C GLY A 93 -11.276 -34.600 10.447 1.00 0.00 C ATOM 1423 O GLY A 93 -12.213 -35.199 10.973 1.00 0.00 O ATOM 0 H GLY A 93 -9.543 -32.470 9.764 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.447 -34.122 11.486 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.884 -33.444 12.225 1.00 0.00 H new TER 1427 GLY A 93