USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 0 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 50 SER OG : rot -71:sc= 0.875 USER MOD Set 1.2: A 60 LYS NZ :NH3+ -112:sc= 0.915 (180deg=-3.69!) USER MOD Set 2.1: A 20 SER OG : rot 167:sc= 1.22 USER MOD Set 2.2: A 58 TYR OH : rot 24:sc= 1.04 USER MOD Single : A 1 VAL N :NH3+ 156:sc= 0 (180deg=-0.00257) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 22 GLN : amide:sc= 0.334 K(o=0.33,f=-5!) USER MOD Single : A 24 LYS NZ :NH3+ -179:sc= 0.198 (180deg=0.197) USER MOD Single : A 25 SER OG : rot 33:sc= 0.711 USER MOD Single : A 26 ASN : amide:sc= 0.595 K(o=0.59,f=0) USER MOD Single : A 29 GLN : amide:sc= -0.0851 X(o=-0.085,f=0) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot -16:sc= 1.2 USER MOD Single : A 35 SER OG : rot 39:sc= 0.695 USER MOD Single : A 37 SER OG : rot 160:sc= -0.808 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.0688 X(o=-0.069,f=-0.069) USER MOD Single : A 47 SER OG : rot 19:sc= 0.0747 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 45:sc= 0.26 USER MOD Single : A 78 SER OG : rot -161:sc= 0.981 USER MOD Single : A 80 THR OG1 : rot -52:sc= 0.0933 USER MOD Single : A 81 ASN : amide:sc= -0.133 K(o=-0.13,f=-2!) USER MOD Single : A 82 THR OG1 : rot -70:sc= 0.8 USER MOD Single : A 83 ASN : amide:sc= -0.329 X(o=-0.33,f=0) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 89 ASN : amide:sc= 0.0925 K(o=0.093,f=-3) USER MOD Single : A 93 SER OG : rot -53:sc= 0.781 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -30.470 -11.223 4.665 1.00 0.00 N ATOM 2 CA VAL A 1 -30.235 -9.763 4.472 1.00 0.00 C ATOM 3 C VAL A 1 -28.716 -9.409 4.728 1.00 0.00 C ATOM 4 O VAL A 1 -28.348 -9.145 5.879 1.00 0.00 O ATOM 5 CB VAL A 1 -31.296 -8.944 5.294 1.00 0.00 C ATOM 6 CG1 VAL A 1 -31.277 -9.099 6.835 1.00 0.00 C ATOM 7 CG2 VAL A 1 -31.255 -7.436 4.962 1.00 0.00 C ATOM 0 H1 VAL A 1 -31.471 -11.386 4.897 1.00 0.00 H new ATOM 0 H2 VAL A 1 -30.230 -11.732 3.790 1.00 0.00 H new ATOM 0 H3 VAL A 1 -29.873 -11.571 5.442 1.00 0.00 H new ATOM 0 HA VAL A 1 -30.399 -9.465 3.436 1.00 0.00 H new ATOM 0 HB VAL A 1 -32.225 -9.406 4.959 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -32.060 -8.479 7.273 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -31.451 -10.142 7.098 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -30.307 -8.784 7.220 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -32.005 -6.913 5.554 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -30.267 -7.039 5.195 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -31.464 -7.291 3.902 1.00 0.00 H new ATOM 8 N PRO A 2 -27.796 -9.356 3.709 1.00 0.00 N ATOM 9 CA PRO A 2 -26.367 -8.968 3.929 1.00 0.00 C ATOM 10 C PRO A 2 -26.122 -7.463 4.311 1.00 0.00 C ATOM 11 O PRO A 2 -25.868 -6.604 3.461 1.00 0.00 O ATOM 12 CB PRO A 2 -25.705 -9.391 2.597 1.00 0.00 C ATOM 13 CG PRO A 2 -26.623 -10.460 2.007 1.00 0.00 C ATOM 14 CD PRO A 2 -28.021 -9.980 2.387 1.00 0.00 C ATOM 0 HA PRO A 2 -25.942 -9.455 4.807 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -25.606 -8.542 1.921 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -24.702 -9.784 2.764 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -26.506 -10.538 0.926 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -26.410 -11.445 2.422 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -28.416 -9.267 1.663 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -28.732 -10.804 2.443 1.00 0.00 H new ATOM 15 N ASP A 3 -26.197 -7.158 5.614 1.00 0.00 N ATOM 16 CA ASP A 3 -26.065 -5.772 6.139 1.00 0.00 C ATOM 17 C ASP A 3 -24.652 -5.535 6.800 1.00 0.00 C ATOM 18 O ASP A 3 -24.443 -6.022 7.919 1.00 0.00 O ATOM 19 CB ASP A 3 -27.253 -5.571 7.121 1.00 0.00 C ATOM 20 CG ASP A 3 -27.412 -4.143 7.630 1.00 0.00 C ATOM 21 OD1 ASP A 3 -27.977 -3.325 6.702 1.00 0.00 O ATOM 22 OD2 ASP A 3 -27.066 -3.767 8.743 1.00 0.00 O ATOM 0 H ASP A 3 -26.350 -7.857 6.341 1.00 0.00 H new ATOM 0 HA ASP A 3 -26.113 -5.029 5.343 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -28.175 -5.872 6.624 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -27.120 -6.236 7.975 1.00 0.00 H new ATOM 23 N PRO A 4 -23.674 -4.782 6.208 1.00 0.00 N ATOM 24 CA PRO A 4 -22.377 -4.484 6.882 1.00 0.00 C ATOM 25 C PRO A 4 -22.488 -3.330 7.942 1.00 0.00 C ATOM 26 O PRO A 4 -22.198 -2.160 7.678 1.00 0.00 O ATOM 27 CB PRO A 4 -21.472 -4.193 5.668 1.00 0.00 C ATOM 28 CG PRO A 4 -22.402 -3.581 4.616 1.00 0.00 C ATOM 29 CD PRO A 4 -23.731 -4.314 4.806 1.00 0.00 C ATOM 0 HA PRO A 4 -21.985 -5.286 7.508 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -20.668 -3.506 5.931 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -21.004 -5.105 5.298 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -22.516 -2.507 4.764 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -22.010 -3.724 3.609 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -24.581 -3.652 4.639 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -23.833 -5.146 4.110 1.00 0.00 H new ATOM 30 N ARG A 5 -22.901 -3.695 9.163 1.00 0.00 N ATOM 31 CA ARG A 5 -23.176 -2.724 10.270 1.00 0.00 C ATOM 32 C ARG A 5 -21.981 -1.930 10.925 1.00 0.00 C ATOM 33 O ARG A 5 -22.233 -1.005 11.702 1.00 0.00 O ATOM 34 CB ARG A 5 -24.025 -3.498 11.331 1.00 0.00 C ATOM 35 CG ARG A 5 -23.517 -4.830 11.960 1.00 0.00 C ATOM 36 CD ARG A 5 -22.207 -4.728 12.759 1.00 0.00 C ATOM 37 NE ARG A 5 -21.889 -6.029 13.397 1.00 0.00 N ATOM 38 CZ ARG A 5 -20.744 -6.314 14.008 1.00 0.00 C ATOM 39 NH1 ARG A 5 -19.742 -5.480 14.121 1.00 0.00 N ATOM 40 NH2 ARG A 5 -20.611 -7.496 14.525 1.00 0.00 N ATOM 0 H ARG A 5 -23.059 -4.667 9.427 1.00 0.00 H new ATOM 0 HA ARG A 5 -23.697 -1.887 9.806 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -24.210 -2.808 12.154 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -24.990 -3.712 10.871 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -24.294 -5.220 12.618 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -23.379 -5.559 11.162 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -21.393 -4.431 12.098 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -22.298 -3.954 13.521 1.00 0.00 H new ATOM 0 HE ARG A 5 -22.601 -6.758 13.364 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -19.812 -4.542 13.726 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -18.891 -5.768 14.605 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -21.372 -8.172 14.455 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -19.746 -7.750 15.002 1.00 0.00 H new ATOM 41 N GLY A 6 -20.710 -2.252 10.638 1.00 0.00 N ATOM 42 CA GLY A 6 -19.548 -1.517 11.206 1.00 0.00 C ATOM 43 C GLY A 6 -18.189 -1.965 10.647 1.00 0.00 C ATOM 44 O GLY A 6 -17.446 -2.685 11.312 1.00 0.00 O ATOM 0 H GLY A 6 -20.451 -3.017 10.015 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -19.675 -0.452 11.012 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -19.544 -1.646 12.288 1.00 0.00 H new ATOM 45 N ILE A 7 -17.883 -1.495 9.428 1.00 0.00 N ATOM 46 CA ILE A 7 -16.601 -1.720 8.681 1.00 0.00 C ATOM 47 C ILE A 7 -16.328 -3.231 8.323 1.00 0.00 C ATOM 48 O ILE A 7 -16.408 -3.596 7.150 1.00 0.00 O ATOM 49 CB ILE A 7 -15.444 -0.917 9.392 1.00 0.00 C ATOM 50 CG1 ILE A 7 -15.636 0.634 9.412 1.00 0.00 C ATOM 51 CG2 ILE A 7 -14.037 -1.220 8.816 1.00 0.00 C ATOM 52 CD1 ILE A 7 -15.709 1.367 8.055 1.00 0.00 C ATOM 0 H ILE A 7 -18.540 -0.921 8.899 1.00 0.00 H new ATOM 0 HA ILE A 7 -16.674 -1.303 7.677 1.00 0.00 H new ATOM 0 HB ILE A 7 -15.509 -1.282 10.417 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -16.553 0.851 9.960 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -14.814 1.066 9.983 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -13.291 -0.634 9.352 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -13.817 -2.281 8.933 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -14.013 -0.959 7.758 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -15.843 2.435 8.225 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -14.785 1.201 7.502 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -16.551 0.983 7.479 1.00 0.00 H new ATOM 53 N ILE A 8 -16.004 -4.071 9.324 1.00 0.00 N ATOM 54 CA ILE A 8 -15.687 -5.535 9.167 1.00 0.00 C ATOM 55 C ILE A 8 -14.284 -5.728 8.467 1.00 0.00 C ATOM 56 O ILE A 8 -14.023 -5.197 7.384 1.00 0.00 O ATOM 57 CB ILE A 8 -16.860 -6.377 8.516 1.00 0.00 C ATOM 58 CG1 ILE A 8 -18.192 -6.264 9.329 1.00 0.00 C ATOM 59 CG2 ILE A 8 -16.496 -7.883 8.383 1.00 0.00 C ATOM 60 CD1 ILE A 8 -19.457 -6.775 8.614 1.00 0.00 C ATOM 0 H ILE A 8 -15.949 -3.760 10.294 1.00 0.00 H new ATOM 0 HA ILE A 8 -15.603 -5.960 10.167 1.00 0.00 H new ATOM 0 HB ILE A 8 -17.005 -5.949 7.524 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -18.075 -6.817 10.261 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -18.345 -5.218 9.596 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -17.330 -8.420 7.932 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -15.613 -7.990 7.754 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -16.290 -8.296 9.370 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -20.320 -6.649 9.268 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -19.611 -6.207 7.696 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -19.336 -7.831 8.371 1.00 0.00 H new ATOM 61 N ILE A 9 -13.376 -6.516 9.077 1.00 0.00 N ATOM 62 CA ILE A 9 -12.024 -6.788 8.491 1.00 0.00 C ATOM 63 C ILE A 9 -11.981 -8.156 7.715 1.00 0.00 C ATOM 64 O ILE A 9 -12.828 -9.040 7.876 1.00 0.00 O ATOM 65 CB ILE A 9 -10.879 -6.664 9.568 1.00 0.00 C ATOM 66 CG1 ILE A 9 -10.908 -7.725 10.708 1.00 0.00 C ATOM 67 CG2 ILE A 9 -10.835 -5.244 10.180 1.00 0.00 C ATOM 68 CD1 ILE A 9 -9.551 -7.889 11.418 1.00 0.00 C ATOM 0 H ILE A 9 -13.542 -6.979 9.971 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.834 -6.011 7.750 1.00 0.00 H new ATOM 0 HB ILE A 9 -9.969 -6.865 9.003 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -11.663 -7.441 11.441 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -11.213 -8.686 10.294 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.035 -5.191 10.919 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -10.650 -4.514 9.392 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -11.788 -5.025 10.661 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -9.639 -8.642 12.201 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.798 -8.203 10.695 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -9.255 -6.938 11.861 1.00 0.00 H new ATOM 69 N ASN A 10 -10.926 -8.299 6.896 1.00 0.00 N ATOM 70 CA ASN A 10 -10.673 -9.433 5.945 1.00 0.00 C ATOM 71 C ASN A 10 -11.372 -9.158 4.560 1.00 0.00 C ATOM 72 O ASN A 10 -12.393 -9.751 4.206 1.00 0.00 O ATOM 73 CB ASN A 10 -10.976 -10.867 6.484 1.00 0.00 C ATOM 74 CG ASN A 10 -10.147 -11.292 7.691 1.00 0.00 C ATOM 75 OD1 ASN A 10 -8.962 -11.585 7.596 1.00 0.00 O ATOM 76 ND2 ASN A 10 -10.731 -11.339 8.858 1.00 0.00 N ATOM 0 H ASN A 10 -10.181 -7.603 6.865 1.00 0.00 H new ATOM 0 HA ASN A 10 -9.591 -9.448 5.812 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -12.032 -10.923 6.750 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -10.811 -11.583 5.679 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -10.200 -11.618 9.683 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -11.718 -11.096 8.945 1.00 0.00 H new ATOM 77 N LEU A 11 -10.765 -8.263 3.762 1.00 0.00 N ATOM 78 CA LEU A 11 -11.289 -7.829 2.433 1.00 0.00 C ATOM 79 C LEU A 11 -10.266 -7.993 1.270 1.00 0.00 C ATOM 80 O LEU A 11 -9.049 -7.860 1.413 1.00 0.00 O ATOM 81 CB LEU A 11 -11.755 -6.343 2.560 1.00 0.00 C ATOM 82 CG LEU A 11 -13.227 -6.218 3.017 1.00 0.00 C ATOM 83 CD1 LEU A 11 -13.412 -5.083 4.035 1.00 0.00 C ATOM 84 CD2 LEU A 11 -14.184 -6.014 1.833 1.00 0.00 C ATOM 0 H LEU A 11 -9.887 -7.809 4.014 1.00 0.00 H new ATOM 0 HA LEU A 11 -12.122 -8.481 2.169 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.112 -5.824 3.271 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.634 -5.845 1.598 1.00 0.00 H new ATOM 0 HG LEU A 11 -13.476 -7.163 3.499 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -14.459 -5.027 4.332 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -12.796 -5.278 4.913 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.112 -4.137 3.584 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -15.206 -5.931 2.202 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.915 -5.101 1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -14.110 -6.864 1.155 1.00 0.00 H new ATOM 85 N ASP A 12 -10.793 -8.234 0.069 1.00 0.00 N ATOM 86 CA ASP A 12 -9.966 -8.308 -1.173 1.00 0.00 C ATOM 87 C ASP A 12 -9.596 -6.885 -1.731 1.00 0.00 C ATOM 88 O ASP A 12 -10.178 -5.862 -1.348 1.00 0.00 O ATOM 89 CB ASP A 12 -10.752 -9.158 -2.206 1.00 0.00 C ATOM 90 CG ASP A 12 -10.879 -10.645 -1.868 1.00 0.00 C ATOM 91 OD1 ASP A 12 -11.741 -11.094 -1.121 1.00 0.00 O ATOM 92 OD2 ASP A 12 -9.921 -11.404 -2.476 1.00 0.00 O ATOM 0 H ASP A 12 -11.790 -8.384 -0.088 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.008 -8.780 -0.953 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.753 -8.739 -2.310 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.264 -9.063 -3.176 1.00 0.00 H new ATOM 93 N GLU A 13 -8.613 -6.812 -2.651 1.00 0.00 N ATOM 94 CA GLU A 13 -8.185 -5.510 -3.245 1.00 0.00 C ATOM 95 C GLU A 13 -9.267 -4.952 -4.242 1.00 0.00 C ATOM 96 O GLU A 13 -9.777 -5.669 -5.109 1.00 0.00 O ATOM 97 CB GLU A 13 -6.738 -5.644 -3.800 1.00 0.00 C ATOM 98 CG GLU A 13 -6.482 -5.946 -5.298 1.00 0.00 C ATOM 99 CD GLU A 13 -6.791 -7.375 -5.740 1.00 0.00 C ATOM 100 OE1 GLU A 13 -8.127 -7.597 -5.909 1.00 0.00 O ATOM 101 OE2 GLU A 13 -5.923 -8.225 -5.910 1.00 0.00 O ATOM 0 H GLU A 13 -8.101 -7.622 -3.001 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.128 -4.734 -2.482 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.220 -4.713 -3.569 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.248 -6.432 -3.227 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.082 -5.261 -5.897 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.437 -5.733 -5.521 1.00 0.00 H new ATOM 102 N GLY A 14 -9.590 -3.669 -4.095 1.00 0.00 N ATOM 103 CA GLY A 14 -10.703 -2.992 -4.827 1.00 0.00 C ATOM 104 C GLY A 14 -11.869 -2.459 -3.941 1.00 0.00 C ATOM 105 O GLY A 14 -12.919 -2.106 -4.479 1.00 0.00 O ATOM 0 H GLY A 14 -9.091 -3.046 -3.460 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.288 -2.156 -5.390 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.114 -3.693 -5.554 1.00 0.00 H new ATOM 106 N GLU A 15 -11.695 -2.373 -2.610 1.00 0.00 N ATOM 107 CA GLU A 15 -12.713 -1.867 -1.653 1.00 0.00 C ATOM 108 C GLU A 15 -12.088 -0.778 -0.714 1.00 0.00 C ATOM 109 O GLU A 15 -10.882 -0.764 -0.434 1.00 0.00 O ATOM 110 CB GLU A 15 -13.269 -3.083 -0.852 1.00 0.00 C ATOM 111 CG GLU A 15 -14.075 -4.134 -1.669 1.00 0.00 C ATOM 112 CD GLU A 15 -15.351 -3.637 -2.354 1.00 0.00 C ATOM 113 OE1 GLU A 15 -16.021 -2.682 -1.971 1.00 0.00 O ATOM 114 OE2 GLU A 15 -15.666 -4.381 -3.446 1.00 0.00 O ATOM 0 H GLU A 15 -10.828 -2.657 -2.154 1.00 0.00 H new ATOM 0 HA GLU A 15 -13.535 -1.385 -2.183 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.431 -3.590 -0.374 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -13.909 -2.704 -0.055 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.418 -4.549 -2.433 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -14.343 -4.952 -1.001 1.00 0.00 H new ATOM 115 N LEU A 16 -12.924 0.149 -0.223 1.00 0.00 N ATOM 116 CA LEU A 16 -12.468 1.287 0.632 1.00 0.00 C ATOM 117 C LEU A 16 -12.056 0.848 2.083 1.00 0.00 C ATOM 118 O LEU A 16 -12.815 0.194 2.803 1.00 0.00 O ATOM 119 CB LEU A 16 -13.592 2.364 0.644 1.00 0.00 C ATOM 120 CG LEU A 16 -13.765 3.179 -0.669 1.00 0.00 C ATOM 121 CD1 LEU A 16 -15.120 3.904 -0.676 1.00 0.00 C ATOM 122 CD2 LEU A 16 -12.646 4.219 -0.866 1.00 0.00 C ATOM 0 H LEU A 16 -13.929 0.144 -0.398 1.00 0.00 H new ATOM 0 HA LEU A 16 -11.556 1.703 0.204 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -14.538 1.872 0.871 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -13.392 3.061 1.458 1.00 0.00 H new ATOM 0 HG LEU A 16 -13.714 2.462 -1.488 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -15.225 4.470 -1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -15.925 3.172 -0.605 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -15.173 4.585 0.173 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -12.813 4.761 -1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -12.650 4.920 -0.032 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.682 3.712 -0.909 1.00 0.00 H new ATOM 123 N CYS A 17 -10.830 1.214 2.485 1.00 0.00 N ATOM 124 CA CYS A 17 -10.243 0.858 3.803 1.00 0.00 C ATOM 125 C CYS A 17 -9.850 2.118 4.635 1.00 0.00 C ATOM 126 O CYS A 17 -9.336 3.104 4.096 1.00 0.00 O ATOM 127 CB CYS A 17 -9.000 -0.017 3.504 1.00 0.00 C ATOM 128 SG CYS A 17 -7.853 0.795 2.359 1.00 0.00 S ATOM 0 H CYS A 17 -10.204 1.772 1.904 1.00 0.00 H new ATOM 0 HA CYS A 17 -10.974 0.323 4.409 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.482 -0.241 4.437 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -9.321 -0.969 3.081 1.00 0.00 H new ATOM 129 N LEU A 18 -10.028 2.070 5.968 1.00 0.00 N ATOM 130 CA LEU A 18 -9.575 3.167 6.871 1.00 0.00 C ATOM 131 C LEU A 18 -8.032 3.040 7.105 1.00 0.00 C ATOM 132 O LEU A 18 -7.289 3.917 6.679 1.00 0.00 O ATOM 133 CB LEU A 18 -10.417 3.152 8.185 1.00 0.00 C ATOM 134 CG LEU A 18 -11.933 3.459 8.084 1.00 0.00 C ATOM 135 CD1 LEU A 18 -12.595 3.227 9.452 1.00 0.00 C ATOM 136 CD2 LEU A 18 -12.215 4.900 7.626 1.00 0.00 C ATOM 0 H LEU A 18 -10.479 1.292 6.450 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.743 4.143 6.415 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.306 2.168 8.641 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.976 3.874 8.872 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.349 2.787 7.333 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -13.661 3.443 9.382 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.454 2.189 9.753 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.140 3.885 10.193 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -13.292 5.061 7.572 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.779 5.600 8.338 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.775 5.062 6.642 1.00 0.00 H new ATOM 137 N ASN A 19 -7.566 2.046 7.876 1.00 0.00 N ATOM 138 CA ASN A 19 -6.108 1.734 8.033 1.00 0.00 C ATOM 139 C ASN A 19 -5.644 0.534 7.119 1.00 0.00 C ATOM 140 O ASN A 19 -6.363 0.095 6.218 1.00 0.00 O ATOM 141 CB ASN A 19 -5.888 1.531 9.565 1.00 0.00 C ATOM 142 CG ASN A 19 -5.858 2.827 10.376 1.00 0.00 C ATOM 143 OD1 ASN A 19 -5.044 3.712 10.147 1.00 0.00 O ATOM 144 ND2 ASN A 19 -6.724 2.978 11.343 1.00 0.00 N ATOM 0 H ASN A 19 -8.174 1.428 8.413 1.00 0.00 H new ATOM 0 HA ASN A 19 -5.470 2.544 7.680 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -6.682 0.893 9.952 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.949 0.999 9.718 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.720 3.830 11.903 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.404 2.243 11.538 1.00 0.00 H new ATOM 145 N SER A 20 -4.449 -0.045 7.366 1.00 0.00 N ATOM 146 CA SER A 20 -3.995 -1.287 6.654 1.00 0.00 C ATOM 147 C SER A 20 -4.539 -2.629 7.253 1.00 0.00 C ATOM 148 O SER A 20 -4.673 -3.617 6.526 1.00 0.00 O ATOM 149 CB SER A 20 -2.466 -1.300 6.578 1.00 0.00 C ATOM 150 OG SER A 20 -2.050 -2.315 5.668 1.00 0.00 O ATOM 0 H SER A 20 -3.778 0.314 8.045 1.00 0.00 H new ATOM 0 HA SER A 20 -4.428 -1.240 5.655 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.098 -0.328 6.250 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.043 -1.484 7.565 1.00 0.00 H new ATOM 0 HG SER A 20 -1.100 -2.197 5.458 1.00 0.00 H new ATOM 151 N ALA A 21 -4.903 -2.661 8.550 1.00 0.00 N ATOM 152 CA ALA A 21 -5.566 -3.830 9.194 1.00 0.00 C ATOM 153 C ALA A 21 -7.116 -3.841 8.923 1.00 0.00 C ATOM 154 O ALA A 21 -7.986 -3.685 9.782 1.00 0.00 O ATOM 155 CB ALA A 21 -5.190 -3.709 10.673 1.00 0.00 C ATOM 0 H ALA A 21 -4.749 -1.880 9.188 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.237 -4.787 8.790 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.636 -4.532 11.230 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.106 -3.746 10.777 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.560 -2.762 11.066 1.00 0.00 H new ATOM 156 N GLN A 22 -7.383 -3.960 7.630 1.00 0.00 N ATOM 157 CA GLN A 22 -8.724 -3.886 7.002 1.00 0.00 C ATOM 158 C GLN A 22 -8.864 -4.999 5.910 1.00 0.00 C ATOM 159 O GLN A 22 -9.759 -5.840 5.983 1.00 0.00 O ATOM 160 CB GLN A 22 -8.885 -2.450 6.415 1.00 0.00 C ATOM 161 CG GLN A 22 -8.970 -1.256 7.403 1.00 0.00 C ATOM 162 CD GLN A 22 -10.281 -1.064 8.149 1.00 0.00 C ATOM 163 OE1 GLN A 22 -11.131 -0.280 7.746 1.00 0.00 O ATOM 164 NE2 GLN A 22 -10.470 -1.719 9.263 1.00 0.00 N ATOM 0 H GLN A 22 -6.644 -4.119 6.945 1.00 0.00 H new ATOM 0 HA GLN A 22 -9.518 -4.064 7.727 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.044 -2.268 5.746 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.787 -2.440 5.803 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -8.175 -1.370 8.140 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -8.760 -0.342 6.847 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -9.761 -2.372 9.597 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -11.327 -1.578 9.799 1.00 0.00 H new ATOM 165 N CYS A 23 -7.994 -4.986 4.888 1.00 0.00 N ATOM 166 CA CYS A 23 -7.933 -6.017 3.834 1.00 0.00 C ATOM 167 C CYS A 23 -7.106 -7.294 4.222 1.00 0.00 C ATOM 168 O CYS A 23 -6.199 -7.250 5.058 1.00 0.00 O ATOM 169 CB CYS A 23 -7.324 -5.267 2.638 1.00 0.00 C ATOM 170 SG CYS A 23 -8.456 -3.930 2.178 1.00 0.00 S ATOM 0 H CYS A 23 -7.301 -4.248 4.767 1.00 0.00 H new ATOM 0 HA CYS A 23 -8.919 -6.434 3.629 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -6.345 -4.864 2.899 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -7.175 -5.946 1.798 1.00 0.00 H new ATOM 171 N LYS A 24 -7.419 -8.433 3.581 1.00 0.00 N ATOM 172 CA LYS A 24 -6.620 -9.701 3.679 1.00 0.00 C ATOM 173 C LYS A 24 -5.158 -9.454 3.153 1.00 0.00 C ATOM 174 O LYS A 24 -4.175 -9.724 3.845 1.00 0.00 O ATOM 175 CB LYS A 24 -7.363 -10.793 2.855 1.00 0.00 C ATOM 176 CG LYS A 24 -8.596 -11.459 3.502 1.00 0.00 C ATOM 177 CD LYS A 24 -9.711 -11.876 2.521 1.00 0.00 C ATOM 178 CE LYS A 24 -9.320 -12.996 1.546 1.00 0.00 C ATOM 179 NZ LYS A 24 -10.496 -13.364 0.731 1.00 0.00 N ATOM 0 H LYS A 24 -8.234 -8.517 2.974 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.531 -10.035 4.713 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.678 -10.346 1.912 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.646 -11.577 2.612 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.266 -12.343 4.048 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.018 -10.771 4.234 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.580 -12.199 3.095 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.016 -11.002 1.946 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.505 -12.665 0.902 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.958 -13.864 2.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.240 -14.134 0.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.266 -13.679 1.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.811 -12.538 0.183 1.00 0.00 H new ATOM 180 N SER A 25 -5.034 -8.921 1.921 1.00 0.00 N ATOM 181 CA SER A 25 -3.751 -8.434 1.371 1.00 0.00 C ATOM 182 C SER A 25 -3.568 -6.991 1.959 1.00 0.00 C ATOM 183 O SER A 25 -4.210 -6.041 1.492 1.00 0.00 O ATOM 184 CB SER A 25 -3.814 -8.469 -0.177 1.00 0.00 C ATOM 185 OG SER A 25 -4.819 -7.595 -0.707 1.00 0.00 O ATOM 0 H SER A 25 -5.819 -8.816 1.279 1.00 0.00 H new ATOM 0 HA SER A 25 -2.893 -9.049 1.644 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.842 -8.188 -0.583 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.014 -9.489 -0.506 1.00 0.00 H new ATOM 0 HG SER A 25 -4.902 -6.806 -0.132 1.00 0.00 H new ATOM 186 N ASN A 26 -2.720 -6.849 2.990 1.00 0.00 N ATOM 187 CA ASN A 26 -2.538 -5.567 3.750 1.00 0.00 C ATOM 188 C ASN A 26 -1.756 -4.468 2.943 1.00 0.00 C ATOM 189 O ASN A 26 -0.584 -4.144 3.144 1.00 0.00 O ATOM 190 CB ASN A 26 -1.833 -5.904 5.097 1.00 0.00 C ATOM 191 CG ASN A 26 -2.572 -6.844 6.053 1.00 0.00 C ATOM 192 OD1 ASN A 26 -2.269 -8.024 6.155 1.00 0.00 O ATOM 193 ND2 ASN A 26 -3.569 -6.383 6.760 1.00 0.00 N ATOM 0 H ASN A 26 -2.134 -7.610 3.333 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.519 -5.128 3.933 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.863 -6.346 4.870 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.642 -4.968 5.623 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.081 -7.005 7.385 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.835 -5.401 6.687 1.00 0.00 H new ATOM 194 N CYS A 27 -2.522 -3.886 2.022 1.00 0.00 N ATOM 195 CA CYS A 27 -2.082 -2.842 1.071 1.00 0.00 C ATOM 196 C CYS A 27 -3.224 -1.784 0.942 1.00 0.00 C ATOM 197 O CYS A 27 -3.874 -1.676 -0.101 1.00 0.00 O ATOM 198 CB CYS A 27 -1.697 -3.557 -0.254 1.00 0.00 C ATOM 199 SG CYS A 27 -1.670 -2.446 -1.689 1.00 0.00 S ATOM 0 H CYS A 27 -3.505 -4.131 1.905 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.201 -2.291 1.401 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.714 -4.015 -0.139 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.405 -4.364 -0.442 1.00 0.00 H new ATOM 200 N CYS A 28 -3.465 -0.973 1.995 1.00 0.00 N ATOM 201 CA CYS A 28 -4.439 0.153 1.930 1.00 0.00 C ATOM 202 C CYS A 28 -3.727 1.310 1.170 1.00 0.00 C ATOM 203 O CYS A 28 -2.765 1.902 1.667 1.00 0.00 O ATOM 204 CB CYS A 28 -4.870 0.513 3.361 1.00 0.00 C ATOM 205 SG CYS A 28 -6.304 1.620 3.334 1.00 0.00 S ATOM 0 H CYS A 28 -3.004 -1.071 2.899 1.00 0.00 H new ATOM 0 HA CYS A 28 -5.356 -0.092 1.393 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -5.115 -0.395 3.912 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.044 0.992 3.886 1.00 0.00 H new ATOM 206 N GLN A 29 -4.165 1.572 -0.065 1.00 0.00 N ATOM 207 CA GLN A 29 -3.471 2.512 -0.977 1.00 0.00 C ATOM 208 C GLN A 29 -4.145 3.919 -1.025 1.00 0.00 C ATOM 209 O GLN A 29 -5.316 4.089 -1.376 1.00 0.00 O ATOM 210 CB GLN A 29 -3.397 1.751 -2.333 1.00 0.00 C ATOM 211 CG GLN A 29 -2.122 2.026 -3.183 1.00 0.00 C ATOM 212 CD GLN A 29 -2.032 3.220 -4.132 1.00 0.00 C ATOM 213 OE1 GLN A 29 -1.008 3.426 -4.769 1.00 0.00 O ATOM 214 NE2 GLN A 29 -3.050 4.011 -4.323 1.00 0.00 N ATOM 0 H GLN A 29 -5.001 1.148 -0.466 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.468 2.773 -0.640 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.457 0.681 -2.134 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.273 2.014 -2.926 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.290 2.114 -2.485 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.943 1.133 -3.781 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.916 3.862 -3.805 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.981 4.779 -4.990 1.00 0.00 H new ATOM 215 N HIS A 30 -3.354 4.924 -0.649 1.00 0.00 N ATOM 216 CA HIS A 30 -3.788 6.328 -0.494 1.00 0.00 C ATOM 217 C HIS A 30 -3.839 7.158 -1.818 1.00 0.00 C ATOM 218 O HIS A 30 -3.080 6.945 -2.768 1.00 0.00 O ATOM 219 CB HIS A 30 -2.733 6.936 0.489 1.00 0.00 C ATOM 220 CG HIS A 30 -3.074 8.231 1.220 1.00 0.00 C ATOM 221 ND1 HIS A 30 -4.352 8.737 1.409 1.00 0.00 N ATOM 222 CD2 HIS A 30 -2.129 8.995 1.924 1.00 0.00 C ATOM 223 CE1 HIS A 30 -4.051 9.812 2.203 1.00 0.00 C ATOM 224 NE2 HIS A 30 -2.751 10.054 2.558 1.00 0.00 N ATOM 0 H HIS A 30 -2.366 4.789 -0.436 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.818 6.362 -0.138 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -2.509 6.180 1.242 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -1.816 7.106 -0.075 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -1.070 8.786 1.964 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -4.837 10.467 2.548 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -2.355 10.802 3.127 1.00 0.00 H new ATOM 225 N ASP A 31 -4.701 8.178 -1.824 1.00 0.00 N ATOM 226 CA ASP A 31 -4.776 9.188 -2.920 1.00 0.00 C ATOM 227 C ASP A 31 -3.645 10.300 -2.933 1.00 0.00 C ATOM 228 O ASP A 31 -3.738 11.248 -3.715 1.00 0.00 O ATOM 229 CB ASP A 31 -6.197 9.806 -2.869 1.00 0.00 C ATOM 230 CG ASP A 31 -6.515 10.734 -1.695 1.00 0.00 C ATOM 231 OD1 ASP A 31 -6.224 10.471 -0.534 1.00 0.00 O ATOM 232 OD2 ASP A 31 -7.179 11.860 -2.084 1.00 0.00 O ATOM 0 H ASP A 31 -5.374 8.340 -1.075 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.587 8.666 -3.858 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -6.356 10.363 -3.792 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -6.920 8.990 -2.860 1.00 0.00 H new ATOM 233 N THR A 32 -2.607 10.180 -2.082 1.00 0.00 N ATOM 234 CA THR A 32 -1.459 11.127 -1.920 1.00 0.00 C ATOM 235 C THR A 32 -1.877 12.414 -1.127 1.00 0.00 C ATOM 236 O THR A 32 -2.431 13.368 -1.677 1.00 0.00 O ATOM 237 CB THR A 32 -0.632 11.443 -3.214 1.00 0.00 C ATOM 238 OG1 THR A 32 -1.386 12.168 -4.176 1.00 0.00 O ATOM 239 CG2 THR A 32 -0.095 10.190 -3.922 1.00 0.00 C ATOM 0 H THR A 32 -2.532 9.382 -1.451 1.00 0.00 H new ATOM 0 HA THR A 32 -0.742 10.575 -1.313 1.00 0.00 H new ATOM 0 HB THR A 32 0.202 12.040 -2.846 1.00 0.00 H new ATOM 0 HG1 THR A 32 -2.339 12.112 -3.955 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.467 10.485 -4.808 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.559 9.641 -3.244 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.929 9.553 -4.217 1.00 0.00 H new ATOM 240 N ILE A 33 -1.597 12.414 0.193 1.00 0.00 N ATOM 241 CA ILE A 33 -1.794 13.576 1.130 1.00 0.00 C ATOM 242 C ILE A 33 -3.301 13.840 1.532 1.00 0.00 C ATOM 243 O ILE A 33 -3.547 14.050 2.722 1.00 0.00 O ATOM 244 CB ILE A 33 -1.007 14.884 0.695 1.00 0.00 C ATOM 245 CG1 ILE A 33 0.548 14.732 0.567 1.00 0.00 C ATOM 246 CG2 ILE A 33 -1.212 16.049 1.708 1.00 0.00 C ATOM 247 CD1 ILE A 33 1.075 14.079 -0.724 1.00 0.00 C ATOM 0 H ILE A 33 -1.217 11.593 0.664 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.322 13.259 2.060 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.432 15.086 -0.288 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.995 15.722 0.654 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.904 14.146 1.414 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.656 16.925 1.373 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.272 16.294 1.771 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.851 15.745 2.690 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.163 14.032 -0.690 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.671 13.071 -0.813 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.764 14.671 -1.585 1.00 0.00 H new ATOM 248 N LEU A 34 -4.283 13.868 0.609 1.00 0.00 N ATOM 249 CA LEU A 34 -5.700 14.233 0.926 1.00 0.00 C ATOM 250 C LEU A 34 -6.483 13.047 1.619 1.00 0.00 C ATOM 251 O LEU A 34 -6.017 12.569 2.658 1.00 0.00 O ATOM 252 CB LEU A 34 -6.322 14.828 -0.382 1.00 0.00 C ATOM 253 CG LEU A 34 -5.880 16.252 -0.832 1.00 0.00 C ATOM 254 CD1 LEU A 34 -4.505 16.285 -1.526 1.00 0.00 C ATOM 255 CD2 LEU A 34 -6.912 16.844 -1.808 1.00 0.00 C ATOM 0 H LEU A 34 -4.130 13.642 -0.374 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.768 15.005 1.692 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.102 14.139 -1.197 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.405 14.840 -0.259 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.809 16.837 0.085 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.266 17.310 -1.810 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.743 15.911 -0.842 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.532 15.658 -2.417 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.592 17.840 -2.116 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.994 16.202 -2.685 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -7.882 16.910 -1.316 1.00 0.00 H new ATOM 256 N SER A 35 -7.670 12.578 1.158 1.00 0.00 N ATOM 257 CA SER A 35 -8.365 11.426 1.814 1.00 0.00 C ATOM 258 C SER A 35 -9.378 10.629 0.918 1.00 0.00 C ATOM 259 O SER A 35 -10.566 10.950 0.812 1.00 0.00 O ATOM 260 CB SER A 35 -9.073 11.914 3.114 1.00 0.00 C ATOM 261 OG SER A 35 -10.187 12.770 2.836 1.00 0.00 O ATOM 0 H SER A 35 -8.162 12.965 0.353 1.00 0.00 H new ATOM 0 HA SER A 35 -7.573 10.709 2.032 1.00 0.00 H new ATOM 0 HB2 SER A 35 -9.414 11.051 3.685 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.355 12.446 3.738 1.00 0.00 H new ATOM 0 HG SER A 35 -10.666 12.438 2.048 1.00 0.00 H new ATOM 262 N LEU A 36 -8.883 9.544 0.314 1.00 0.00 N ATOM 263 CA LEU A 36 -9.682 8.559 -0.469 1.00 0.00 C ATOM 264 C LEU A 36 -8.763 7.294 -0.522 1.00 0.00 C ATOM 265 O LEU A 36 -7.881 7.192 -1.379 1.00 0.00 O ATOM 266 CB LEU A 36 -10.102 9.124 -1.862 1.00 0.00 C ATOM 267 CG LEU A 36 -11.240 8.374 -2.604 1.00 0.00 C ATOM 268 CD1 LEU A 36 -11.739 9.223 -3.786 1.00 0.00 C ATOM 269 CD2 LEU A 36 -10.823 6.994 -3.144 1.00 0.00 C ATOM 0 H LEU A 36 -7.891 9.308 0.349 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.644 8.318 -0.017 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.408 10.162 -1.730 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -9.222 9.130 -2.506 1.00 0.00 H new ATOM 0 HG LEU A 36 -12.025 8.214 -1.864 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -12.538 8.692 -4.304 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -12.117 10.176 -3.416 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.916 9.403 -4.477 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.670 6.530 -3.650 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.000 7.113 -3.849 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -10.504 6.361 -2.316 1.00 0.00 H new ATOM 270 N SER A 37 -8.924 6.358 0.430 1.00 0.00 N ATOM 271 CA SER A 37 -8.019 5.178 0.555 1.00 0.00 C ATOM 272 C SER A 37 -8.731 3.845 0.169 1.00 0.00 C ATOM 273 O SER A 37 -9.694 3.412 0.809 1.00 0.00 O ATOM 274 CB SER A 37 -7.467 5.160 1.996 1.00 0.00 C ATOM 275 OG SER A 37 -6.795 6.381 2.314 1.00 0.00 O ATOM 0 H SER A 37 -9.668 6.386 1.128 1.00 0.00 H new ATOM 0 HA SER A 37 -7.193 5.267 -0.151 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.285 5.000 2.698 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.778 4.323 2.113 1.00 0.00 H new ATOM 0 HG SER A 37 -6.741 6.481 3.287 1.00 0.00 H new ATOM 276 N ARG A 38 -8.246 3.203 -0.899 1.00 0.00 N ATOM 277 CA ARG A 38 -8.811 1.936 -1.444 1.00 0.00 C ATOM 278 C ARG A 38 -7.695 0.843 -1.507 1.00 0.00 C ATOM 279 O ARG A 38 -6.562 1.132 -1.908 1.00 0.00 O ATOM 280 CB ARG A 38 -9.398 2.296 -2.838 1.00 0.00 C ATOM 281 CG ARG A 38 -10.289 1.214 -3.489 1.00 0.00 C ATOM 282 CD ARG A 38 -10.786 1.658 -4.874 1.00 0.00 C ATOM 283 NE ARG A 38 -11.700 0.634 -5.434 1.00 0.00 N ATOM 284 CZ ARG A 38 -12.153 0.611 -6.681 1.00 0.00 C ATOM 285 NH1 ARG A 38 -11.840 1.491 -7.596 1.00 0.00 N ATOM 286 NH2 ARG A 38 -12.961 -0.348 -7.010 1.00 0.00 N ATOM 0 H ARG A 38 -7.440 3.542 -1.425 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.597 1.516 -0.816 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.982 3.211 -2.741 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.572 2.515 -3.514 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.727 0.285 -3.583 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.142 1.006 -2.844 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.302 2.615 -4.795 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.939 1.807 -5.543 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.005 -0.113 -4.810 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.208 2.259 -7.370 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -12.228 1.409 -8.536 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -13.227 -1.050 -6.320 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -13.331 -0.400 -7.959 1.00 0.00 H new ATOM 287 N CYS A 39 -7.973 -0.420 -1.125 1.00 0.00 N ATOM 288 CA CYS A 39 -6.952 -1.496 -1.211 1.00 0.00 C ATOM 289 C CYS A 39 -6.585 -1.888 -2.675 1.00 0.00 C ATOM 290 O CYS A 39 -7.407 -1.946 -3.591 1.00 0.00 O ATOM 291 CB CYS A 39 -7.392 -2.735 -0.410 1.00 0.00 C ATOM 292 SG CYS A 39 -7.476 -2.405 1.348 1.00 0.00 S ATOM 0 H CYS A 39 -8.877 -0.721 -0.760 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.044 -1.087 -0.767 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -8.368 -3.067 -0.763 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -6.693 -3.551 -0.592 1.00 0.00 H new ATOM 293 N ALA A 40 -5.298 -2.166 -2.843 1.00 0.00 N ATOM 294 CA ALA A 40 -4.670 -2.439 -4.153 1.00 0.00 C ATOM 295 C ALA A 40 -3.702 -3.669 -4.128 1.00 0.00 C ATOM 296 O ALA A 40 -3.574 -4.395 -3.137 1.00 0.00 O ATOM 297 CB ALA A 40 -3.989 -1.090 -4.461 1.00 0.00 C ATOM 0 H ALA A 40 -4.640 -2.212 -2.065 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.372 -2.742 -4.930 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.477 -1.152 -5.421 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.742 -0.303 -4.502 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.266 -0.860 -3.678 1.00 0.00 H new ATOM 298 N LEU A 41 -3.050 -3.927 -5.267 1.00 0.00 N ATOM 299 CA LEU A 41 -2.009 -4.986 -5.381 1.00 0.00 C ATOM 300 C LEU A 41 -0.598 -4.510 -4.878 1.00 0.00 C ATOM 301 O LEU A 41 -0.312 -3.315 -4.739 1.00 0.00 O ATOM 302 CB LEU A 41 -2.042 -5.529 -6.847 1.00 0.00 C ATOM 303 CG LEU A 41 -1.825 -4.582 -8.066 1.00 0.00 C ATOM 304 CD1 LEU A 41 -0.373 -4.098 -8.217 1.00 0.00 C ATOM 305 CD2 LEU A 41 -2.226 -5.303 -9.364 1.00 0.00 C ATOM 0 H LEU A 41 -3.218 -3.419 -6.136 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.230 -5.815 -4.708 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.286 -6.311 -6.913 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.010 -6.010 -6.986 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.450 -3.708 -7.882 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.296 -3.444 -9.085 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.077 -3.550 -7.322 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.285 -4.957 -8.351 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.072 -4.637 -10.213 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.614 -6.196 -9.488 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.277 -5.588 -9.312 1.00 0.00 H new ATOM 306 N LYS A 42 0.288 -5.474 -4.592 1.00 0.00 N ATOM 307 CA LYS A 42 1.700 -5.186 -4.199 1.00 0.00 C ATOM 308 C LYS A 42 2.608 -4.820 -5.426 1.00 0.00 C ATOM 309 O LYS A 42 2.380 -5.255 -6.560 1.00 0.00 O ATOM 310 CB LYS A 42 2.239 -6.417 -3.419 1.00 0.00 C ATOM 311 CG LYS A 42 1.721 -6.524 -1.967 1.00 0.00 C ATOM 312 CD LYS A 42 2.379 -7.672 -1.184 1.00 0.00 C ATOM 313 CE LYS A 42 1.847 -7.759 0.253 1.00 0.00 C ATOM 314 NZ LYS A 42 2.582 -8.808 0.982 1.00 0.00 N ATOM 0 H LYS A 42 0.063 -6.468 -4.622 1.00 0.00 H new ATOM 0 HA LYS A 42 1.723 -4.302 -3.561 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.964 -7.323 -3.958 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.328 -6.374 -3.402 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.907 -5.583 -1.449 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.641 -6.672 -1.981 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.194 -8.615 -1.698 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.459 -7.526 -1.164 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.966 -6.799 0.756 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.781 -7.985 0.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.224 -8.870 1.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.447 -9.722 0.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.595 -8.574 1.000 1.00 0.00 H new ATOM 315 N ALA A 43 3.669 -4.034 -5.182 1.00 0.00 N ATOM 316 CA ALA A 43 4.541 -3.510 -6.257 1.00 0.00 C ATOM 317 C ALA A 43 5.555 -4.544 -6.861 1.00 0.00 C ATOM 318 O ALA A 43 5.904 -5.584 -6.290 1.00 0.00 O ATOM 319 CB ALA A 43 5.247 -2.285 -5.639 1.00 0.00 C ATOM 0 H ALA A 43 3.949 -3.743 -4.245 1.00 0.00 H new ATOM 0 HA ALA A 43 3.937 -3.253 -7.127 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.914 -1.839 -6.377 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.501 -1.551 -5.333 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.825 -2.598 -4.770 1.00 0.00 H new ATOM 320 N ARG A 44 5.996 -4.209 -8.075 1.00 0.00 N ATOM 321 CA ARG A 44 6.920 -5.043 -8.893 1.00 0.00 C ATOM 322 C ARG A 44 8.163 -4.217 -9.346 1.00 0.00 C ATOM 323 O ARG A 44 8.226 -2.992 -9.216 1.00 0.00 O ATOM 324 CB ARG A 44 6.099 -5.650 -10.073 1.00 0.00 C ATOM 325 CG ARG A 44 5.425 -6.980 -9.678 1.00 0.00 C ATOM 326 CD ARG A 44 4.364 -7.467 -10.680 1.00 0.00 C ATOM 327 NE ARG A 44 3.744 -8.736 -10.210 1.00 0.00 N ATOM 328 CZ ARG A 44 2.703 -8.828 -9.383 1.00 0.00 C ATOM 329 NH1 ARG A 44 2.096 -7.803 -8.842 1.00 0.00 N ATOM 330 NH2 ARG A 44 2.275 -10.013 -9.079 1.00 0.00 N ATOM 0 H ARG A 44 5.725 -3.341 -8.537 1.00 0.00 H new ATOM 0 HA ARG A 44 7.331 -5.866 -8.308 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.338 -4.937 -10.391 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.757 -5.815 -10.926 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.192 -7.748 -9.575 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.959 -6.863 -8.700 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.595 -6.704 -10.804 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.822 -7.620 -11.657 1.00 0.00 H new ATOM 0 HE ARG A 44 4.150 -9.608 -10.549 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.415 -6.856 -9.045 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.304 -7.951 -8.217 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.733 -10.836 -9.470 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.480 -10.122 -8.449 1.00 0.00 H new ATOM 331 N GLU A 45 9.173 -4.926 -9.873 1.00 0.00 N ATOM 332 CA GLU A 45 10.501 -4.349 -10.234 1.00 0.00 C ATOM 333 C GLU A 45 10.497 -2.974 -11.000 1.00 0.00 C ATOM 334 O GLU A 45 9.731 -2.754 -11.936 1.00 0.00 O ATOM 335 CB GLU A 45 11.314 -5.446 -10.976 1.00 0.00 C ATOM 336 CG GLU A 45 12.807 -5.082 -11.222 1.00 0.00 C ATOM 337 CD GLU A 45 13.708 -6.264 -11.554 1.00 0.00 C ATOM 338 OE1 GLU A 45 14.077 -7.086 -10.723 1.00 0.00 O ATOM 339 OE2 GLU A 45 14.063 -6.301 -12.865 1.00 0.00 O ATOM 0 H GLU A 45 9.102 -5.925 -10.067 1.00 0.00 H new ATOM 0 HA GLU A 45 10.980 -4.065 -9.297 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.268 -6.369 -10.398 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.838 -5.647 -11.936 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.861 -4.362 -12.039 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.196 -4.585 -10.333 1.00 0.00 H new ATOM 340 N ASN A 46 11.386 -2.083 -10.536 1.00 0.00 N ATOM 341 CA ASN A 46 11.517 -0.652 -10.972 1.00 0.00 C ATOM 342 C ASN A 46 10.334 0.323 -10.593 1.00 0.00 C ATOM 343 O ASN A 46 10.331 1.474 -11.035 1.00 0.00 O ATOM 344 CB ASN A 46 12.086 -0.524 -12.420 1.00 0.00 C ATOM 345 CG ASN A 46 11.168 -0.705 -13.630 1.00 0.00 C ATOM 346 OD1 ASN A 46 10.392 0.164 -14.003 1.00 0.00 O ATOM 347 ND2 ASN A 46 11.259 -1.809 -14.323 1.00 0.00 N ATOM 0 H ASN A 46 12.067 -2.332 -9.819 1.00 0.00 H new ATOM 0 HA ASN A 46 12.288 -0.238 -10.323 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.537 0.465 -12.503 1.00 0.00 H new ATOM 0 HB3 ASN A 46 12.892 -1.251 -12.515 1.00 0.00 H new ATOM 0 HD21 ASN A 46 10.689 -1.935 -15.159 1.00 0.00 H new ATOM 0 HD22 ASN A 46 11.900 -2.545 -14.028 1.00 0.00 H new ATOM 348 N SER A 47 9.426 -0.071 -9.678 1.00 0.00 N ATOM 349 CA SER A 47 8.351 0.806 -9.146 1.00 0.00 C ATOM 350 C SER A 47 8.526 1.017 -7.605 1.00 0.00 C ATOM 351 O SER A 47 8.990 0.152 -6.860 1.00 0.00 O ATOM 352 CB SER A 47 6.988 0.170 -9.507 1.00 0.00 C ATOM 353 OG SER A 47 5.897 1.015 -9.129 1.00 0.00 O ATOM 0 H SER A 47 9.413 -1.011 -9.282 1.00 0.00 H new ATOM 0 HA SER A 47 8.403 1.797 -9.596 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.947 -0.020 -10.579 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.892 -0.794 -9.008 1.00 0.00 H new ATOM 0 HG SER A 47 6.222 1.930 -8.999 1.00 0.00 H new ATOM 354 N GLU A 48 8.161 2.204 -7.123 1.00 0.00 N ATOM 355 CA GLU A 48 8.241 2.605 -5.703 1.00 0.00 C ATOM 356 C GLU A 48 7.404 1.732 -4.701 1.00 0.00 C ATOM 357 O GLU A 48 6.273 1.306 -4.947 1.00 0.00 O ATOM 358 CB GLU A 48 7.860 4.109 -5.643 1.00 0.00 C ATOM 359 CG GLU A 48 6.426 4.485 -6.104 1.00 0.00 C ATOM 360 CD GLU A 48 6.282 4.912 -7.565 1.00 0.00 C ATOM 361 OE1 GLU A 48 6.289 4.129 -8.511 1.00 0.00 O ATOM 362 OE2 GLU A 48 6.145 6.258 -7.704 1.00 0.00 O ATOM 0 H GLU A 48 7.789 2.942 -7.721 1.00 0.00 H new ATOM 0 HA GLU A 48 9.259 2.432 -5.355 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.988 4.451 -4.616 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.571 4.664 -6.255 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.774 3.629 -5.930 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.063 5.296 -5.472 1.00 0.00 H new ATOM 363 N CYS A 49 8.038 1.490 -3.559 1.00 0.00 N ATOM 364 CA CYS A 49 7.526 0.600 -2.489 1.00 0.00 C ATOM 365 C CYS A 49 7.801 1.099 -1.042 1.00 0.00 C ATOM 366 O CYS A 49 8.809 1.753 -0.739 1.00 0.00 O ATOM 367 CB CYS A 49 8.198 -0.763 -2.718 1.00 0.00 C ATOM 368 SG CYS A 49 9.996 -0.647 -2.584 1.00 0.00 S ATOM 0 H CYS A 49 8.941 1.908 -3.334 1.00 0.00 H new ATOM 0 HA CYS A 49 6.439 0.561 -2.557 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.824 -1.481 -1.989 1.00 0.00 H new ATOM 0 HB3 CYS A 49 7.929 -1.141 -3.704 1.00 0.00 H new ATOM 369 N SER A 50 6.897 0.720 -0.122 1.00 0.00 N ATOM 370 CA SER A 50 7.072 0.992 1.324 1.00 0.00 C ATOM 371 C SER A 50 8.047 -0.072 1.900 1.00 0.00 C ATOM 372 O SER A 50 7.701 -1.251 2.027 1.00 0.00 O ATOM 373 CB SER A 50 5.693 0.936 2.027 1.00 0.00 C ATOM 374 OG SER A 50 5.737 1.565 3.312 1.00 0.00 O ATOM 0 H SER A 50 6.035 0.224 -0.350 1.00 0.00 H new ATOM 0 HA SER A 50 7.490 1.985 1.490 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.945 1.428 1.405 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.382 -0.103 2.139 1.00 0.00 H new ATOM 0 HG SER A 50 6.248 1.005 3.933 1.00 0.00 H new ATOM 375 N ALA A 51 9.269 0.348 2.259 1.00 0.00 N ATOM 376 CA ALA A 51 10.282 -0.596 2.805 1.00 0.00 C ATOM 377 C ALA A 51 9.947 -1.076 4.268 1.00 0.00 C ATOM 378 O ALA A 51 10.071 -2.257 4.592 1.00 0.00 O ATOM 379 CB ALA A 51 11.629 0.141 2.684 1.00 0.00 C ATOM 0 H ALA A 51 9.586 1.315 2.187 1.00 0.00 H new ATOM 0 HA ALA A 51 10.304 -1.531 2.246 1.00 0.00 H new ATOM 0 HB1 ALA A 51 12.427 -0.494 3.068 1.00 0.00 H new ATOM 0 HB2 ALA A 51 11.823 0.375 1.637 1.00 0.00 H new ATOM 0 HB3 ALA A 51 11.591 1.065 3.261 1.00 0.00 H new ATOM 380 N PHE A 52 9.526 -0.139 5.126 1.00 0.00 N ATOM 381 CA PHE A 52 8.970 -0.412 6.473 1.00 0.00 C ATOM 382 C PHE A 52 7.414 -0.186 6.371 1.00 0.00 C ATOM 383 O PHE A 52 6.953 0.718 5.656 1.00 0.00 O ATOM 384 CB PHE A 52 9.668 0.510 7.521 1.00 0.00 C ATOM 385 CG PHE A 52 9.409 2.031 7.419 1.00 0.00 C ATOM 386 CD1 PHE A 52 10.195 2.826 6.580 1.00 0.00 C ATOM 387 CD2 PHE A 52 8.328 2.608 8.096 1.00 0.00 C ATOM 388 CE1 PHE A 52 9.902 4.178 6.414 1.00 0.00 C ATOM 389 CE2 PHE A 52 8.036 3.959 7.929 1.00 0.00 C ATOM 390 CZ PHE A 52 8.824 4.744 7.090 1.00 0.00 C ATOM 0 H PHE A 52 9.560 0.856 4.905 1.00 0.00 H new ATOM 0 HA PHE A 52 9.154 -1.433 6.808 1.00 0.00 H new ATOM 0 HB2 PHE A 52 9.361 0.182 8.514 1.00 0.00 H new ATOM 0 HB3 PHE A 52 10.743 0.346 7.450 1.00 0.00 H new ATOM 0 HD1 PHE A 52 11.034 2.390 6.058 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.718 2.003 8.750 1.00 0.00 H new ATOM 0 HE1 PHE A 52 10.510 4.787 5.762 1.00 0.00 H new ATOM 0 HE2 PHE A 52 7.198 4.399 8.450 1.00 0.00 H new ATOM 0 HZ PHE A 52 8.599 5.793 6.964 1.00 0.00 H new ATOM 391 N THR A 53 6.591 -0.966 7.086 1.00 0.00 N ATOM 392 CA THR A 53 5.112 -0.729 7.116 1.00 0.00 C ATOM 393 C THR A 53 4.564 -0.613 8.562 1.00 0.00 C ATOM 394 O THR A 53 4.883 -1.384 9.470 1.00 0.00 O ATOM 395 CB THR A 53 4.258 -1.807 6.381 1.00 0.00 C ATOM 396 OG1 THR A 53 4.619 -3.129 6.771 1.00 0.00 O ATOM 397 CG2 THR A 53 4.392 -1.713 4.861 1.00 0.00 C ATOM 0 H THR A 53 6.902 -1.758 7.648 1.00 0.00 H new ATOM 0 HA THR A 53 5.007 0.214 6.579 1.00 0.00 H new ATOM 0 HB THR A 53 3.227 -1.604 6.670 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.061 -3.776 6.291 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.779 -2.484 4.393 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.058 -0.731 4.526 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.435 -1.857 4.578 1.00 0.00 H new ATOM 398 N LEU A 54 3.653 0.349 8.700 1.00 0.00 N ATOM 399 CA LEU A 54 2.867 0.573 9.936 1.00 0.00 C ATOM 400 C LEU A 54 1.447 -0.094 9.785 1.00 0.00 C ATOM 401 O LEU A 54 1.162 -0.824 8.822 1.00 0.00 O ATOM 402 CB LEU A 54 2.907 2.124 10.174 1.00 0.00 C ATOM 403 CG LEU A 54 1.882 3.063 9.467 1.00 0.00 C ATOM 404 CD1 LEU A 54 2.194 4.524 9.810 1.00 0.00 C ATOM 405 CD2 LEU A 54 1.818 2.913 7.938 1.00 0.00 C ATOM 0 H LEU A 54 3.429 1.008 7.954 1.00 0.00 H new ATOM 0 HA LEU A 54 3.264 0.097 10.832 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.805 2.287 11.247 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.903 2.466 9.893 1.00 0.00 H new ATOM 0 HG LEU A 54 0.905 2.761 9.845 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.475 5.176 9.314 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.129 4.666 10.889 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.201 4.770 9.472 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.079 3.605 7.535 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.795 3.136 7.509 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.535 1.892 7.684 1.00 0.00 H new ATOM 406 N TYR A 55 0.525 0.196 10.715 1.00 0.00 N ATOM 407 CA TYR A 55 -0.891 -0.281 10.591 1.00 0.00 C ATOM 408 C TYR A 55 -1.763 0.918 10.130 1.00 0.00 C ATOM 409 O TYR A 55 -2.688 1.377 10.800 1.00 0.00 O ATOM 410 CB TYR A 55 -1.340 -0.975 11.908 1.00 0.00 C ATOM 411 CG TYR A 55 -0.657 -2.340 12.068 1.00 0.00 C ATOM 412 CD1 TYR A 55 -1.029 -3.398 11.233 1.00 0.00 C ATOM 413 CD2 TYR A 55 0.506 -2.442 12.835 1.00 0.00 C ATOM 414 CE1 TYR A 55 -0.223 -4.525 11.131 1.00 0.00 C ATOM 415 CE2 TYR A 55 1.311 -3.571 12.732 1.00 0.00 C ATOM 416 CZ TYR A 55 0.947 -4.614 11.882 1.00 0.00 C ATOM 417 OH TYR A 55 1.760 -5.705 11.745 1.00 0.00 O ATOM 0 H TYR A 55 0.713 0.747 11.552 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.004 -1.054 9.831 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.096 -0.340 12.760 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.422 -1.104 11.905 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -1.946 -3.339 10.665 1.00 0.00 H new ATOM 0 HD2 TYR A 55 0.780 -1.643 13.508 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.503 -5.332 10.470 1.00 0.00 H new ATOM 0 HE2 TYR A 55 2.220 -3.640 13.312 1.00 0.00 H new ATOM 0 HH TYR A 55 2.535 -5.612 12.338 1.00 0.00 H new ATOM 418 N GLY A 56 -1.424 1.394 8.928 1.00 0.00 N ATOM 419 CA GLY A 56 -2.027 2.605 8.340 1.00 0.00 C ATOM 420 C GLY A 56 -1.791 2.688 6.827 1.00 0.00 C ATOM 421 O GLY A 56 -1.125 1.862 6.199 1.00 0.00 O ATOM 0 H GLY A 56 -0.724 0.954 8.331 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.098 2.610 8.541 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.608 3.489 8.821 1.00 0.00 H new ATOM 422 N VAL A 57 -2.359 3.729 6.244 1.00 0.00 N ATOM 423 CA VAL A 57 -2.479 3.827 4.756 1.00 0.00 C ATOM 424 C VAL A 57 -1.129 4.261 4.092 1.00 0.00 C ATOM 425 O VAL A 57 -0.374 5.110 4.578 1.00 0.00 O ATOM 426 CB VAL A 57 -3.666 4.746 4.333 1.00 0.00 C ATOM 427 CG1 VAL A 57 -4.068 4.532 2.861 1.00 0.00 C ATOM 428 CG2 VAL A 57 -4.964 4.465 5.102 1.00 0.00 C ATOM 0 H VAL A 57 -2.748 4.524 6.751 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.705 2.828 4.383 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.286 5.748 4.534 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.898 5.193 2.611 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.219 4.756 2.216 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.372 3.496 2.714 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.746 5.141 4.756 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.273 3.434 4.930 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.796 4.620 6.168 1.00 0.00 H new ATOM 429 N TYR A 58 -0.862 3.641 2.944 1.00 0.00 N ATOM 430 CA TYR A 58 0.410 3.770 2.215 1.00 0.00 C ATOM 431 C TYR A 58 0.283 4.617 0.921 1.00 0.00 C ATOM 432 O TYR A 58 -0.619 4.437 0.098 1.00 0.00 O ATOM 433 CB TYR A 58 0.870 2.333 1.823 1.00 0.00 C ATOM 434 CG TYR A 58 0.896 1.248 2.916 1.00 0.00 C ATOM 435 CD1 TYR A 58 1.642 1.407 4.087 1.00 0.00 C ATOM 436 CD2 TYR A 58 0.053 0.143 2.780 1.00 0.00 C ATOM 437 CE1 TYR A 58 1.576 0.444 5.093 1.00 0.00 C ATOM 438 CE2 TYR A 58 0.006 -0.825 3.777 1.00 0.00 C ATOM 439 CZ TYR A 58 0.759 -0.673 4.936 1.00 0.00 C ATOM 440 OH TYR A 58 0.633 -1.593 5.944 1.00 0.00 O ATOM 0 H TYR A 58 -1.530 3.024 2.482 1.00 0.00 H new ATOM 0 HA TYR A 58 1.124 4.279 2.862 1.00 0.00 H new ATOM 0 HB2 TYR A 58 0.218 1.983 1.023 1.00 0.00 H new ATOM 0 HB3 TYR A 58 1.874 2.408 1.406 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.270 2.277 4.213 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.563 0.040 1.899 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.159 0.564 5.994 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -0.617 -1.698 3.651 1.00 0.00 H new ATOM 0 HH TYR A 58 0.843 -1.169 6.802 1.00 0.00 H new ATOM 441 N TYR A 59 1.262 5.491 0.717 1.00 0.00 N ATOM 442 CA TYR A 59 1.415 6.278 -0.552 1.00 0.00 C ATOM 443 C TYR A 59 1.815 5.407 -1.823 1.00 0.00 C ATOM 444 O TYR A 59 1.670 5.835 -2.968 1.00 0.00 O ATOM 445 CB TYR A 59 2.502 7.356 -0.243 1.00 0.00 C ATOM 446 CG TYR A 59 2.166 8.421 0.822 1.00 0.00 C ATOM 447 CD1 TYR A 59 2.398 8.156 2.179 1.00 0.00 C ATOM 448 CD2 TYR A 59 1.606 9.647 0.452 1.00 0.00 C ATOM 449 CE1 TYR A 59 2.026 9.080 3.152 1.00 0.00 C ATOM 450 CE2 TYR A 59 1.257 10.580 1.428 1.00 0.00 C ATOM 451 CZ TYR A 59 1.454 10.291 2.774 1.00 0.00 C ATOM 452 OH TYR A 59 1.066 11.200 3.720 1.00 0.00 O ATOM 0 H TYR A 59 1.983 5.691 1.411 1.00 0.00 H new ATOM 0 HA TYR A 59 0.454 6.711 -0.830 1.00 0.00 H new ATOM 0 HB2 TYR A 59 3.408 6.839 0.072 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.737 7.873 -1.173 1.00 0.00 H new ATOM 0 HD1 TYR A 59 2.868 7.229 2.472 1.00 0.00 H new ATOM 0 HD2 TYR A 59 1.443 9.872 -0.592 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.181 8.857 4.197 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.833 11.530 1.138 1.00 0.00 H new ATOM 0 HH TYR A 59 0.688 11.989 3.279 1.00 0.00 H new ATOM 453 N LYS A 60 2.365 4.206 -1.575 1.00 0.00 N ATOM 454 CA LYS A 60 2.911 3.239 -2.545 1.00 0.00 C ATOM 455 C LYS A 60 3.011 1.883 -1.750 1.00 0.00 C ATOM 456 O LYS A 60 3.773 1.766 -0.785 1.00 0.00 O ATOM 457 CB LYS A 60 4.271 3.724 -3.148 1.00 0.00 C ATOM 458 CG LYS A 60 5.227 4.667 -2.355 1.00 0.00 C ATOM 459 CD LYS A 60 5.945 4.050 -1.135 1.00 0.00 C ATOM 460 CE LYS A 60 5.628 4.650 0.252 1.00 0.00 C ATOM 461 NZ LYS A 60 4.455 4.031 0.892 1.00 0.00 N ATOM 0 H LYS A 60 2.446 3.859 -0.619 1.00 0.00 H new ATOM 0 HA LYS A 60 2.276 3.121 -3.423 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.843 2.830 -3.397 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.039 4.226 -4.087 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.984 5.042 -3.043 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.652 5.528 -2.014 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.706 2.987 -1.105 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.019 4.131 -1.300 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.495 4.529 0.901 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.455 5.721 0.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.681 4.724 0.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.148 3.209 0.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.706 3.722 1.853 1.00 0.00 H new ATOM 462 N CYS A 61 2.212 0.855 -2.075 1.00 0.00 N ATOM 463 CA CYS A 61 2.262 -0.461 -1.361 1.00 0.00 C ATOM 464 C CYS A 61 3.653 -1.228 -1.372 1.00 0.00 C ATOM 465 O CYS A 61 4.459 -1.013 -2.284 1.00 0.00 O ATOM 466 CB CYS A 61 1.171 -1.331 -2.017 1.00 0.00 C ATOM 467 SG CYS A 61 -0.465 -0.869 -1.433 1.00 0.00 S ATOM 0 H CYS A 61 1.520 0.895 -2.824 1.00 0.00 H new ATOM 0 HA CYS A 61 2.105 -0.264 -0.300 1.00 0.00 H new ATOM 0 HB2 CYS A 61 1.218 -1.222 -3.101 1.00 0.00 H new ATOM 0 HB3 CYS A 61 1.357 -2.382 -1.794 1.00 0.00 H new ATOM 468 N PRO A 62 3.981 -2.137 -0.395 1.00 0.00 N ATOM 469 CA PRO A 62 5.242 -2.943 -0.431 1.00 0.00 C ATOM 470 C PRO A 62 5.370 -3.955 -1.628 1.00 0.00 C ATOM 471 O PRO A 62 4.414 -4.205 -2.367 1.00 0.00 O ATOM 472 CB PRO A 62 5.205 -3.618 0.958 1.00 0.00 C ATOM 473 CG PRO A 62 3.721 -3.745 1.305 1.00 0.00 C ATOM 474 CD PRO A 62 3.111 -2.458 0.760 1.00 0.00 C ATOM 0 HA PRO A 62 6.126 -2.332 -0.614 1.00 0.00 H new ATOM 0 HB2 PRO A 62 5.688 -4.595 0.934 1.00 0.00 H new ATOM 0 HB3 PRO A 62 5.733 -3.019 1.700 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.276 -4.626 0.843 1.00 0.00 H new ATOM 0 HG3 PRO A 62 3.568 -3.837 2.380 1.00 0.00 H new ATOM 0 HD2 PRO A 62 2.074 -2.601 0.456 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.119 -1.662 1.504 1.00 0.00 H new ATOM 475 N CYS A 63 6.570 -4.521 -1.831 1.00 0.00 N ATOM 476 CA CYS A 63 6.842 -5.456 -2.960 1.00 0.00 C ATOM 477 C CYS A 63 6.221 -6.894 -2.791 1.00 0.00 C ATOM 478 O CYS A 63 6.037 -7.402 -1.680 1.00 0.00 O ATOM 479 CB CYS A 63 8.377 -5.497 -3.107 1.00 0.00 C ATOM 480 SG CYS A 63 9.071 -3.849 -3.353 1.00 0.00 S ATOM 0 H CYS A 63 7.378 -4.353 -1.231 1.00 0.00 H new ATOM 0 HA CYS A 63 6.351 -5.090 -3.862 1.00 0.00 H new ATOM 0 HB2 CYS A 63 8.816 -5.947 -2.216 1.00 0.00 H new ATOM 0 HB3 CYS A 63 8.645 -6.134 -3.950 1.00 0.00 H new ATOM 481 N GLU A 64 5.885 -7.542 -3.920 1.00 0.00 N ATOM 482 CA GLU A 64 5.180 -8.859 -3.932 1.00 0.00 C ATOM 483 C GLU A 64 6.024 -10.129 -3.507 1.00 0.00 C ATOM 484 O GLU A 64 7.180 -10.046 -3.085 1.00 0.00 O ATOM 485 CB GLU A 64 4.504 -8.921 -5.345 1.00 0.00 C ATOM 486 CG GLU A 64 5.379 -9.212 -6.599 1.00 0.00 C ATOM 487 CD GLU A 64 5.743 -10.680 -6.812 1.00 0.00 C ATOM 488 OE1 GLU A 64 4.916 -11.566 -7.001 1.00 0.00 O ATOM 489 OE2 GLU A 64 7.077 -10.905 -6.694 1.00 0.00 O ATOM 0 H GLU A 64 6.088 -7.179 -4.851 1.00 0.00 H new ATOM 0 HA GLU A 64 4.444 -8.910 -3.130 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.728 -9.685 -5.303 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.003 -7.967 -5.510 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.850 -8.854 -7.482 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.300 -8.634 -6.522 1.00 0.00 H new ATOM 490 N ARG A 65 5.412 -11.331 -3.598 1.00 0.00 N ATOM 491 CA ARG A 65 6.043 -12.632 -3.222 1.00 0.00 C ATOM 492 C ARG A 65 7.390 -12.939 -3.973 1.00 0.00 C ATOM 493 O ARG A 65 7.446 -13.122 -5.194 1.00 0.00 O ATOM 494 CB ARG A 65 4.954 -13.719 -3.454 1.00 0.00 C ATOM 495 CG ARG A 65 5.314 -15.163 -3.009 1.00 0.00 C ATOM 496 CD ARG A 65 5.846 -16.053 -4.151 1.00 0.00 C ATOM 497 NE ARG A 65 6.355 -17.348 -3.624 1.00 0.00 N ATOM 498 CZ ARG A 65 7.625 -17.612 -3.328 1.00 0.00 C ATOM 499 NH1 ARG A 65 8.596 -16.741 -3.405 1.00 0.00 N ATOM 500 NH2 ARG A 65 7.925 -18.810 -2.934 1.00 0.00 N ATOM 0 H ARG A 65 4.456 -11.434 -3.937 1.00 0.00 H new ATOM 0 HA ARG A 65 6.358 -12.605 -2.179 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.050 -13.415 -2.927 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.712 -13.739 -4.517 1.00 0.00 H new ATOM 0 HG2 ARG A 65 6.065 -15.113 -2.220 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.429 -15.631 -2.578 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.051 -16.237 -4.874 1.00 0.00 H new ATOM 0 HD3 ARG A 65 6.644 -15.533 -4.681 1.00 0.00 H new ATOM 0 HE ARG A 65 5.675 -18.094 -3.478 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.402 -15.787 -3.709 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.548 -17.015 -3.162 1.00 0.00 H new ATOM 0 HH21 ARG A 65 7.196 -19.519 -2.858 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.890 -19.043 -2.700 1.00 0.00 H new ATOM 501 N GLY A 66 8.476 -12.978 -3.194 1.00 0.00 N ATOM 502 CA GLY A 66 9.858 -13.137 -3.737 1.00 0.00 C ATOM 503 C GLY A 66 10.600 -11.899 -4.309 1.00 0.00 C ATOM 504 O GLY A 66 11.610 -12.066 -4.994 1.00 0.00 O ATOM 0 H GLY A 66 8.439 -12.902 -2.177 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.477 -13.550 -2.940 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.815 -13.886 -4.528 1.00 0.00 H new ATOM 505 N LEU A 67 10.136 -10.677 -4.027 1.00 0.00 N ATOM 506 CA LEU A 67 10.688 -9.422 -4.604 1.00 0.00 C ATOM 507 C LEU A 67 10.896 -8.395 -3.438 1.00 0.00 C ATOM 508 O LEU A 67 10.018 -8.206 -2.592 1.00 0.00 O ATOM 509 CB LEU A 67 9.693 -9.011 -5.732 1.00 0.00 C ATOM 510 CG LEU A 67 10.260 -8.112 -6.855 1.00 0.00 C ATOM 511 CD1 LEU A 67 9.526 -8.351 -8.186 1.00 0.00 C ATOM 512 CD2 LEU A 67 10.160 -6.632 -6.497 1.00 0.00 C ATOM 0 H LEU A 67 9.359 -10.517 -3.386 1.00 0.00 H new ATOM 0 HA LEU A 67 11.673 -9.506 -5.063 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.299 -9.919 -6.188 1.00 0.00 H new ATOM 0 HB3 LEU A 67 8.851 -8.494 -5.273 1.00 0.00 H new ATOM 0 HG LEU A 67 11.310 -8.381 -6.966 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.948 -7.704 -8.955 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.643 -9.393 -8.484 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.467 -8.125 -8.063 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.568 -6.032 -7.311 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.115 -6.366 -6.339 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.725 -6.439 -5.585 1.00 0.00 H new ATOM 513 N THR A 68 12.069 -7.742 -3.367 1.00 0.00 N ATOM 514 CA THR A 68 12.435 -6.851 -2.223 1.00 0.00 C ATOM 515 C THR A 68 12.203 -5.330 -2.476 1.00 0.00 C ATOM 516 O THR A 68 12.178 -4.852 -3.609 1.00 0.00 O ATOM 517 CB THR A 68 13.936 -7.144 -1.861 1.00 0.00 C ATOM 518 OG1 THR A 68 14.080 -7.096 -0.448 1.00 0.00 O ATOM 519 CG2 THR A 68 15.004 -6.179 -2.401 1.00 0.00 C ATOM 0 H THR A 68 12.790 -7.807 -4.085 1.00 0.00 H new ATOM 0 HA THR A 68 11.766 -7.081 -1.393 1.00 0.00 H new ATOM 0 HB THR A 68 14.117 -8.110 -2.331 1.00 0.00 H new ATOM 0 HG1 THR A 68 15.012 -7.279 -0.208 1.00 0.00 H new ATOM 0 HG21 THR A 68 15.990 -6.506 -2.072 1.00 0.00 H new ATOM 0 HG22 THR A 68 14.970 -6.171 -3.490 1.00 0.00 H new ATOM 0 HG23 THR A 68 14.811 -5.175 -2.024 1.00 0.00 H new ATOM 520 N CYS A 69 12.078 -4.579 -1.379 1.00 0.00 N ATOM 521 CA CYS A 69 12.018 -3.096 -1.421 1.00 0.00 C ATOM 522 C CYS A 69 13.450 -2.497 -1.196 1.00 0.00 C ATOM 523 O CYS A 69 13.995 -2.593 -0.090 1.00 0.00 O ATOM 524 CB CYS A 69 10.962 -2.643 -0.401 1.00 0.00 C ATOM 525 SG CYS A 69 10.587 -0.903 -0.684 1.00 0.00 S ATOM 0 H CYS A 69 12.015 -4.968 -0.438 1.00 0.00 H new ATOM 0 HA CYS A 69 11.708 -2.720 -2.396 1.00 0.00 H new ATOM 0 HB2 CYS A 69 10.059 -3.245 -0.501 1.00 0.00 H new ATOM 0 HB3 CYS A 69 11.331 -2.789 0.614 1.00 0.00 H new ATOM 526 N GLU A 70 14.070 -1.872 -2.207 1.00 0.00 N ATOM 527 CA GLU A 70 15.467 -1.363 -2.109 1.00 0.00 C ATOM 528 C GLU A 70 15.480 0.164 -1.757 1.00 0.00 C ATOM 529 O GLU A 70 15.193 1.022 -2.598 1.00 0.00 O ATOM 530 CB GLU A 70 16.155 -1.709 -3.462 1.00 0.00 C ATOM 531 CG GLU A 70 17.658 -1.353 -3.594 1.00 0.00 C ATOM 532 CD GLU A 70 18.603 -2.038 -2.610 1.00 0.00 C ATOM 533 OE1 GLU A 70 19.145 -3.118 -2.816 1.00 0.00 O ATOM 534 OE2 GLU A 70 18.772 -1.316 -1.470 1.00 0.00 O ATOM 0 H GLU A 70 13.632 -1.701 -3.112 1.00 0.00 H new ATOM 0 HA GLU A 70 16.024 -1.832 -1.298 1.00 0.00 H new ATOM 0 HB2 GLU A 70 16.043 -2.779 -3.636 1.00 0.00 H new ATOM 0 HB3 GLU A 70 15.614 -1.198 -4.258 1.00 0.00 H new ATOM 0 HG2 GLU A 70 17.980 -1.599 -4.606 1.00 0.00 H new ATOM 0 HG3 GLU A 70 17.766 -0.275 -3.478 1.00 0.00 H new ATOM 535 N GLY A 71 15.820 0.498 -0.498 1.00 0.00 N ATOM 536 CA GLY A 71 15.831 1.898 0.025 1.00 0.00 C ATOM 537 C GLY A 71 16.955 2.819 -0.489 1.00 0.00 C ATOM 538 O GLY A 71 17.949 3.060 0.194 1.00 0.00 O ATOM 0 H GLY A 71 16.099 -0.193 0.198 1.00 0.00 H new ATOM 0 HA2 GLY A 71 14.874 2.360 -0.219 1.00 0.00 H new ATOM 0 HA3 GLY A 71 15.897 1.855 1.112 1.00 0.00 H new ATOM 539 N ASP A 72 16.797 3.295 -1.723 1.00 0.00 N ATOM 540 CA ASP A 72 17.821 4.133 -2.413 1.00 0.00 C ATOM 541 C ASP A 72 17.323 5.526 -2.936 1.00 0.00 C ATOM 542 O ASP A 72 18.116 6.471 -2.889 1.00 0.00 O ATOM 543 CB ASP A 72 18.404 3.270 -3.567 1.00 0.00 C ATOM 544 CG ASP A 72 19.347 2.098 -3.258 1.00 0.00 C ATOM 545 OD1 ASP A 72 19.568 1.886 -1.926 1.00 0.00 O ATOM 546 OD2 ASP A 72 19.840 1.416 -4.149 1.00 0.00 O ATOM 0 H ASP A 72 15.964 3.121 -2.285 1.00 0.00 H new ATOM 0 HA ASP A 72 18.576 4.408 -1.676 1.00 0.00 H new ATOM 0 HB2 ASP A 72 17.560 2.866 -4.126 1.00 0.00 H new ATOM 0 HB3 ASP A 72 18.937 3.945 -4.237 1.00 0.00 H new ATOM 547 N LYS A 73 16.090 5.695 -3.461 1.00 0.00 N ATOM 548 CA LYS A 73 15.646 7.012 -4.015 1.00 0.00 C ATOM 549 C LYS A 73 14.921 7.890 -2.946 1.00 0.00 C ATOM 550 O LYS A 73 13.689 7.989 -2.904 1.00 0.00 O ATOM 551 CB LYS A 73 14.754 6.808 -5.268 1.00 0.00 C ATOM 552 CG LYS A 73 15.474 6.243 -6.516 1.00 0.00 C ATOM 553 CD LYS A 73 14.615 6.350 -7.790 1.00 0.00 C ATOM 554 CE LYS A 73 15.304 5.712 -9.004 1.00 0.00 C ATOM 555 NZ LYS A 73 14.398 5.744 -10.167 1.00 0.00 N ATOM 0 H LYS A 73 15.389 4.956 -3.517 1.00 0.00 H new ATOM 0 HA LYS A 73 16.543 7.555 -4.314 1.00 0.00 H new ATOM 0 HB2 LYS A 73 13.938 6.135 -5.005 1.00 0.00 H new ATOM 0 HB3 LYS A 73 14.305 7.765 -5.532 1.00 0.00 H new ATOM 0 HG2 LYS A 73 16.410 6.781 -6.666 1.00 0.00 H new ATOM 0 HG3 LYS A 73 15.731 5.198 -6.341 1.00 0.00 H new ATOM 0 HD2 LYS A 73 13.654 5.863 -7.621 1.00 0.00 H new ATOM 0 HD3 LYS A 73 14.408 7.399 -8.001 1.00 0.00 H new ATOM 0 HE2 LYS A 73 16.225 6.248 -9.234 1.00 0.00 H new ATOM 0 HE3 LYS A 73 15.582 4.683 -8.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 14.870 5.311 -10.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 13.531 5.214 -9.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 14.154 6.730 -10.390 1.00 0.00 H new ATOM 556 N SER A 74 15.710 8.588 -2.115 1.00 0.00 N ATOM 557 CA SER A 74 15.166 9.552 -1.124 1.00 0.00 C ATOM 558 C SER A 74 15.333 11.038 -1.602 1.00 0.00 C ATOM 559 O SER A 74 16.040 11.855 -1.004 1.00 0.00 O ATOM 560 CB SER A 74 15.783 9.198 0.250 1.00 0.00 C ATOM 561 OG SER A 74 17.154 9.595 0.344 1.00 0.00 O ATOM 0 H SER A 74 16.727 8.509 -2.103 1.00 0.00 H new ATOM 0 HA SER A 74 14.084 9.466 -1.020 1.00 0.00 H new ATOM 0 HB2 SER A 74 15.211 9.684 1.040 1.00 0.00 H new ATOM 0 HB3 SER A 74 15.705 8.123 0.415 1.00 0.00 H new ATOM 0 HG SER A 74 17.257 10.503 -0.010 1.00 0.00 H new ATOM 562 N LEU A 75 14.621 11.370 -2.691 1.00 0.00 N ATOM 563 CA LEU A 75 14.534 12.739 -3.259 1.00 0.00 C ATOM 564 C LEU A 75 13.311 13.481 -2.626 1.00 0.00 C ATOM 565 O LEU A 75 12.183 13.421 -3.120 1.00 0.00 O ATOM 566 CB LEU A 75 14.448 12.565 -4.805 1.00 0.00 C ATOM 567 CG LEU A 75 14.414 13.860 -5.660 1.00 0.00 C ATOM 568 CD1 LEU A 75 15.729 14.655 -5.587 1.00 0.00 C ATOM 569 CD2 LEU A 75 14.125 13.512 -7.129 1.00 0.00 C ATOM 0 H LEU A 75 14.077 10.686 -3.217 1.00 0.00 H new ATOM 0 HA LEU A 75 15.400 13.361 -3.031 1.00 0.00 H new ATOM 0 HB2 LEU A 75 15.302 11.969 -5.127 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.552 11.986 -5.031 1.00 0.00 H new ATOM 0 HG LEU A 75 13.622 14.486 -5.249 1.00 0.00 H new ATOM 0 HD11 LEU A 75 15.648 15.550 -6.204 1.00 0.00 H new ATOM 0 HD12 LEU A 75 15.923 14.943 -4.554 1.00 0.00 H new ATOM 0 HD13 LEU A 75 16.549 14.036 -5.952 1.00 0.00 H new ATOM 0 HD21 LEU A 75 14.103 14.426 -7.722 1.00 0.00 H new ATOM 0 HD22 LEU A 75 14.906 12.853 -7.507 1.00 0.00 H new ATOM 0 HD23 LEU A 75 13.160 13.010 -7.201 1.00 0.00 H new ATOM 570 N VAL A 76 13.560 14.180 -1.510 1.00 0.00 N ATOM 571 CA VAL A 76 12.487 14.863 -0.702 1.00 0.00 C ATOM 572 C VAL A 76 11.516 15.866 -1.442 1.00 0.00 C ATOM 573 O VAL A 76 10.335 15.939 -1.090 1.00 0.00 O ATOM 574 CB VAL A 76 13.178 15.471 0.574 1.00 0.00 C ATOM 575 CG1 VAL A 76 14.059 16.721 0.337 1.00 0.00 C ATOM 576 CG2 VAL A 76 12.173 15.786 1.703 1.00 0.00 C ATOM 0 H VAL A 76 14.498 14.300 -1.127 1.00 0.00 H new ATOM 0 HA VAL A 76 11.760 14.094 -0.440 1.00 0.00 H new ATOM 0 HB VAL A 76 13.849 14.666 0.874 1.00 0.00 H new ATOM 0 HG11 VAL A 76 14.483 17.052 1.285 1.00 0.00 H new ATOM 0 HG12 VAL A 76 14.865 16.473 -0.354 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.451 17.520 -0.087 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.705 16.203 2.558 1.00 0.00 H new ATOM 0 HG22 VAL A 76 11.439 16.508 1.345 1.00 0.00 H new ATOM 0 HG23 VAL A 76 11.665 14.870 2.004 1.00 0.00 H new ATOM 577 N GLY A 77 11.985 16.608 -2.459 1.00 0.00 N ATOM 578 CA GLY A 77 11.111 17.490 -3.291 1.00 0.00 C ATOM 579 C GLY A 77 10.425 16.763 -4.471 1.00 0.00 C ATOM 580 O GLY A 77 10.818 16.920 -5.627 1.00 0.00 O ATOM 0 H GLY A 77 12.967 16.623 -2.735 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.344 17.930 -2.653 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.710 18.312 -3.683 1.00 0.00 H new ATOM 581 N SER A 78 9.408 15.956 -4.149 1.00 0.00 N ATOM 582 CA SER A 78 8.758 15.017 -5.109 1.00 0.00 C ATOM 583 C SER A 78 7.237 14.788 -4.792 1.00 0.00 C ATOM 584 O SER A 78 6.739 15.104 -3.707 1.00 0.00 O ATOM 585 CB SER A 78 9.588 13.709 -5.017 1.00 0.00 C ATOM 586 OG SER A 78 9.123 12.673 -5.883 1.00 0.00 O ATOM 0 H SER A 78 9.001 15.925 -3.214 1.00 0.00 H new ATOM 0 HA SER A 78 8.756 15.419 -6.122 1.00 0.00 H new ATOM 0 HB2 SER A 78 10.628 13.931 -5.256 1.00 0.00 H new ATOM 0 HB3 SER A 78 9.568 13.348 -3.989 1.00 0.00 H new ATOM 0 HG SER A 78 9.470 11.809 -5.575 1.00 0.00 H new ATOM 587 N ILE A 79 6.492 14.205 -5.748 1.00 0.00 N ATOM 588 CA ILE A 79 5.039 13.869 -5.570 1.00 0.00 C ATOM 589 C ILE A 79 4.835 12.585 -4.682 1.00 0.00 C ATOM 590 O ILE A 79 4.494 12.719 -3.505 1.00 0.00 O ATOM 591 CB ILE A 79 4.249 13.854 -6.946 1.00 0.00 C ATOM 592 CG1 ILE A 79 4.981 13.407 -8.255 1.00 0.00 C ATOM 593 CG2 ILE A 79 3.687 15.272 -7.230 1.00 0.00 C ATOM 594 CD1 ILE A 79 5.499 11.961 -8.315 1.00 0.00 C ATOM 0 H ILE A 79 6.862 13.949 -6.664 1.00 0.00 H new ATOM 0 HA ILE A 79 4.581 14.679 -5.002 1.00 0.00 H new ATOM 0 HB ILE A 79 3.511 13.074 -6.760 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.297 13.555 -9.091 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.827 14.075 -8.413 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.144 15.265 -8.175 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.012 15.564 -6.425 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.510 15.984 -7.290 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.984 11.788 -9.276 1.00 0.00 H new ATOM 0 HD12 ILE A 79 6.217 11.798 -7.512 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.664 11.270 -8.200 1.00 0.00 H new ATOM 595 N THR A 80 5.038 11.355 -5.191 1.00 0.00 N ATOM 596 CA THR A 80 4.957 10.096 -4.349 1.00 0.00 C ATOM 597 C THR A 80 6.097 9.036 -4.537 1.00 0.00 C ATOM 598 O THR A 80 5.959 7.811 -4.529 1.00 0.00 O ATOM 599 CB THR A 80 3.529 9.545 -4.432 1.00 0.00 C ATOM 600 OG1 THR A 80 3.340 8.495 -3.494 1.00 0.00 O ATOM 601 CG2 THR A 80 3.077 9.004 -5.797 1.00 0.00 C ATOM 0 H THR A 80 5.259 11.183 -6.172 1.00 0.00 H new ATOM 0 HA THR A 80 5.170 10.386 -3.320 1.00 0.00 H new ATOM 0 HB THR A 80 2.922 10.426 -4.223 1.00 0.00 H new ATOM 0 HG1 THR A 80 4.050 7.828 -3.602 1.00 0.00 H new ATOM 0 HG21 THR A 80 2.051 8.644 -5.724 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.131 9.800 -6.540 1.00 0.00 H new ATOM 0 HG23 THR A 80 3.729 8.183 -6.097 1.00 0.00 H new ATOM 602 N ASN A 81 7.263 9.639 -4.590 1.00 0.00 N ATOM 603 CA ASN A 81 8.606 9.001 -4.569 1.00 0.00 C ATOM 604 C ASN A 81 9.464 10.049 -3.775 1.00 0.00 C ATOM 605 O ASN A 81 10.323 10.728 -4.345 1.00 0.00 O ATOM 606 CB ASN A 81 9.056 8.675 -6.015 1.00 0.00 C ATOM 607 CG ASN A 81 10.343 7.857 -6.109 1.00 0.00 C ATOM 608 OD1 ASN A 81 10.331 6.638 -6.204 1.00 0.00 O ATOM 609 ND2 ASN A 81 11.492 8.477 -6.075 1.00 0.00 N ATOM 0 H ASN A 81 7.328 10.655 -4.653 1.00 0.00 H new ATOM 0 HA ASN A 81 8.679 8.028 -4.084 1.00 0.00 H new ATOM 0 HB2 ASN A 81 8.256 8.130 -6.517 1.00 0.00 H new ATOM 0 HB3 ASN A 81 9.194 9.610 -6.558 1.00 0.00 H new ATOM 0 HD21 ASN A 81 12.360 7.945 -6.127 1.00 0.00 H new ATOM 0 HD22 ASN A 81 11.521 9.494 -5.996 1.00 0.00 H new ATOM 610 N THR A 82 9.184 10.186 -2.465 1.00 0.00 N ATOM 611 CA THR A 82 9.753 11.260 -1.602 1.00 0.00 C ATOM 612 C THR A 82 10.947 10.696 -0.772 1.00 0.00 C ATOM 613 O THR A 82 12.100 10.913 -1.144 1.00 0.00 O ATOM 614 CB THR A 82 8.578 11.959 -0.809 1.00 0.00 C ATOM 615 OG1 THR A 82 8.105 11.152 0.262 1.00 0.00 O ATOM 616 CG2 THR A 82 7.296 12.312 -1.609 1.00 0.00 C ATOM 0 H THR A 82 8.555 9.557 -1.966 1.00 0.00 H new ATOM 0 HA THR A 82 10.207 12.068 -2.176 1.00 0.00 H new ATOM 0 HB THR A 82 9.068 12.882 -0.498 1.00 0.00 H new ATOM 0 HG1 THR A 82 7.634 10.372 -0.099 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.572 12.786 -0.946 1.00 0.00 H new ATOM 0 HG22 THR A 82 7.549 12.997 -2.418 1.00 0.00 H new ATOM 0 HG23 THR A 82 6.865 11.402 -2.026 1.00 0.00 H new ATOM 617 N ASN A 83 10.717 9.967 0.327 1.00 0.00 N ATOM 618 CA ASN A 83 11.797 9.278 1.099 1.00 0.00 C ATOM 619 C ASN A 83 11.457 7.759 1.212 1.00 0.00 C ATOM 620 O ASN A 83 11.191 7.235 2.297 1.00 0.00 O ATOM 621 CB ASN A 83 12.016 10.029 2.443 1.00 0.00 C ATOM 622 CG ASN A 83 12.642 11.434 2.422 1.00 0.00 C ATOM 623 OD1 ASN A 83 12.467 12.216 3.346 1.00 0.00 O ATOM 624 ND2 ASN A 83 13.405 11.826 1.431 1.00 0.00 N ATOM 0 H ASN A 83 9.785 9.829 0.718 1.00 0.00 H new ATOM 0 HA ASN A 83 12.761 9.314 0.592 1.00 0.00 H new ATOM 0 HB2 ASN A 83 11.047 10.108 2.937 1.00 0.00 H new ATOM 0 HB3 ASN A 83 12.644 9.399 3.073 1.00 0.00 H new ATOM 0 HD21 ASN A 83 13.828 12.754 1.449 1.00 0.00 H new ATOM 0 HD22 ASN A 83 13.576 11.203 0.642 1.00 0.00 H new ATOM 625 N PHE A 84 11.482 7.054 0.063 1.00 0.00 N ATOM 626 CA PHE A 84 11.040 5.634 -0.033 1.00 0.00 C ATOM 627 C PHE A 84 12.048 4.734 -0.841 1.00 0.00 C ATOM 628 O PHE A 84 13.099 5.175 -1.320 1.00 0.00 O ATOM 629 CB PHE A 84 9.603 5.609 -0.682 1.00 0.00 C ATOM 630 CG PHE A 84 8.484 6.619 -0.305 1.00 0.00 C ATOM 631 CD1 PHE A 84 8.194 6.968 1.020 1.00 0.00 C ATOM 632 CD2 PHE A 84 7.702 7.161 -1.332 1.00 0.00 C ATOM 633 CE1 PHE A 84 7.180 7.884 1.305 1.00 0.00 C ATOM 634 CE2 PHE A 84 6.680 8.061 -1.046 1.00 0.00 C ATOM 635 CZ PHE A 84 6.426 8.429 0.267 1.00 0.00 C ATOM 0 H PHE A 84 11.805 7.443 -0.823 1.00 0.00 H new ATOM 0 HA PHE A 84 11.010 5.208 0.970 1.00 0.00 H new ATOM 0 HB2 PHE A 84 9.749 5.697 -1.759 1.00 0.00 H new ATOM 0 HB3 PHE A 84 9.197 4.615 -0.496 1.00 0.00 H new ATOM 0 HD1 PHE A 84 8.759 6.525 1.827 1.00 0.00 H new ATOM 0 HD2 PHE A 84 7.894 6.878 -2.356 1.00 0.00 H new ATOM 0 HE1 PHE A 84 6.980 8.170 2.327 1.00 0.00 H new ATOM 0 HE2 PHE A 84 6.084 8.473 -1.847 1.00 0.00 H new ATOM 0 HZ PHE A 84 5.642 9.139 0.486 1.00 0.00 H new ATOM 636 N GLY A 85 11.726 3.434 -0.971 1.00 0.00 N ATOM 637 CA GLY A 85 12.512 2.491 -1.814 1.00 0.00 C ATOM 638 C GLY A 85 11.887 2.151 -3.187 1.00 0.00 C ATOM 639 O GLY A 85 10.727 2.451 -3.466 1.00 0.00 O ATOM 0 H GLY A 85 10.927 3.004 -0.505 1.00 0.00 H new ATOM 0 HA2 GLY A 85 13.502 2.917 -1.980 1.00 0.00 H new ATOM 0 HA3 GLY A 85 12.653 1.564 -1.258 1.00 0.00 H new ATOM 640 N ILE A 86 12.672 1.486 -4.037 1.00 0.00 N ATOM 641 CA ILE A 86 12.205 0.944 -5.353 1.00 0.00 C ATOM 642 C ILE A 86 12.181 -0.617 -5.266 1.00 0.00 C ATOM 643 O ILE A 86 13.137 -1.243 -4.801 1.00 0.00 O ATOM 644 CB ILE A 86 13.137 1.450 -6.520 1.00 0.00 C ATOM 645 CG1 ILE A 86 13.124 2.995 -6.726 1.00 0.00 C ATOM 646 CG2 ILE A 86 12.795 0.799 -7.889 1.00 0.00 C ATOM 647 CD1 ILE A 86 11.791 3.590 -7.213 1.00 0.00 C ATOM 0 H ILE A 86 13.657 1.298 -3.848 1.00 0.00 H new ATOM 0 HA ILE A 86 11.199 1.302 -5.573 1.00 0.00 H new ATOM 0 HB ILE A 86 14.130 1.145 -6.189 1.00 0.00 H new ATOM 0 HG12 ILE A 86 13.391 3.471 -5.783 1.00 0.00 H new ATOM 0 HG13 ILE A 86 13.901 3.254 -7.445 1.00 0.00 H new ATOM 0 HG21 ILE A 86 13.469 1.185 -8.654 1.00 0.00 H new ATOM 0 HG22 ILE A 86 12.910 -0.282 -7.816 1.00 0.00 H new ATOM 0 HG23 ILE A 86 11.766 1.037 -8.158 1.00 0.00 H new ATOM 0 HD11 ILE A 86 11.893 4.670 -7.323 1.00 0.00 H new ATOM 0 HD12 ILE A 86 11.526 3.151 -8.175 1.00 0.00 H new ATOM 0 HD13 ILE A 86 11.008 3.372 -6.487 1.00 0.00 H new ATOM 648 N CYS A 87 11.117 -1.266 -5.758 1.00 0.00 N ATOM 649 CA CYS A 87 11.061 -2.749 -5.845 1.00 0.00 C ATOM 650 C CYS A 87 12.138 -3.383 -6.796 1.00 0.00 C ATOM 651 O CYS A 87 12.319 -2.914 -7.923 1.00 0.00 O ATOM 652 CB CYS A 87 9.647 -3.080 -6.358 1.00 0.00 C ATOM 653 SG CYS A 87 8.418 -3.006 -5.053 1.00 0.00 S ATOM 0 H CYS A 87 10.280 -0.797 -6.104 1.00 0.00 H new ATOM 0 HA CYS A 87 11.278 -3.171 -4.864 1.00 0.00 H new ATOM 0 HB2 CYS A 87 9.377 -2.381 -7.149 1.00 0.00 H new ATOM 0 HB3 CYS A 87 9.646 -4.077 -6.799 1.00 0.00 H new ATOM 654 N HIS A 88 12.882 -4.415 -6.352 1.00 0.00 N ATOM 655 CA HIS A 88 13.820 -5.176 -7.217 1.00 0.00 C ATOM 656 C HIS A 88 13.821 -6.682 -6.797 1.00 0.00 C ATOM 657 O HIS A 88 13.684 -7.044 -5.625 1.00 0.00 O ATOM 658 CB HIS A 88 15.243 -4.586 -7.150 1.00 0.00 C ATOM 659 CG HIS A 88 15.480 -3.294 -7.938 1.00 0.00 C ATOM 660 ND1 HIS A 88 15.799 -3.299 -9.290 1.00 0.00 N ATOM 661 CD2 HIS A 88 15.340 -1.971 -7.472 1.00 0.00 C ATOM 662 CE1 HIS A 88 15.840 -1.948 -9.517 1.00 0.00 C ATOM 663 NE2 HIS A 88 15.604 -1.075 -8.493 1.00 0.00 N ATOM 0 H HIS A 88 12.854 -4.748 -5.388 1.00 0.00 H new ATOM 0 HA HIS A 88 13.482 -5.097 -8.250 1.00 0.00 H new ATOM 0 HB2 HIS A 88 15.487 -4.398 -6.104 1.00 0.00 H new ATOM 0 HB3 HIS A 88 15.943 -5.340 -7.510 1.00 0.00 H new ATOM 0 HD2 HIS A 88 15.066 -1.696 -6.464 1.00 0.00 H new ATOM 0 HE1 HIS A 88 16.059 -1.573 -10.506 1.00 0.00 H new ATOM 0 HE2 HIS A 88 15.618 -0.055 -8.484 1.00 0.00 H new ATOM 664 N ASN A 89 14.036 -7.575 -7.765 1.00 0.00 N ATOM 665 CA ASN A 89 14.132 -9.035 -7.517 1.00 0.00 C ATOM 666 C ASN A 89 15.635 -9.456 -7.399 1.00 0.00 C ATOM 667 O ASN A 89 16.476 -9.119 -8.237 1.00 0.00 O ATOM 668 CB ASN A 89 13.393 -9.720 -8.687 1.00 0.00 C ATOM 669 CG ASN A 89 13.059 -11.189 -8.434 1.00 0.00 C ATOM 670 OD1 ASN A 89 13.894 -12.073 -8.568 1.00 0.00 O ATOM 671 ND2 ASN A 89 11.858 -11.502 -8.023 1.00 0.00 N ATOM 0 H ASN A 89 14.150 -7.318 -8.745 1.00 0.00 H new ATOM 0 HA ASN A 89 13.670 -9.335 -6.576 1.00 0.00 H new ATOM 0 HB2 ASN A 89 12.469 -9.177 -8.888 1.00 0.00 H new ATOM 0 HB3 ASN A 89 14.007 -9.647 -9.584 1.00 0.00 H new ATOM 0 HD21 ASN A 89 11.626 -12.474 -7.818 1.00 0.00 H new ATOM 0 HD22 ASN A 89 11.153 -10.774 -7.907 1.00 0.00 H new ATOM 672 N VAL A 90 15.947 -10.196 -6.333 1.00 0.00 N ATOM 673 CA VAL A 90 17.356 -10.583 -5.991 1.00 0.00 C ATOM 674 C VAL A 90 17.743 -11.985 -6.581 1.00 0.00 C ATOM 675 O VAL A 90 18.702 -12.092 -7.348 1.00 0.00 O ATOM 676 CB VAL A 90 17.564 -10.418 -4.438 1.00 0.00 C ATOM 677 CG1 VAL A 90 19.003 -10.758 -3.987 1.00 0.00 C ATOM 678 CG2 VAL A 90 17.279 -8.987 -3.908 1.00 0.00 C ATOM 0 H VAL A 90 15.252 -10.551 -5.676 1.00 0.00 H new ATOM 0 HA VAL A 90 18.065 -9.911 -6.474 1.00 0.00 H new ATOM 0 HB VAL A 90 16.841 -11.120 -4.023 1.00 0.00 H new ATOM 0 HG11 VAL A 90 19.087 -10.626 -2.908 1.00 0.00 H new ATOM 0 HG12 VAL A 90 19.230 -11.792 -4.245 1.00 0.00 H new ATOM 0 HG13 VAL A 90 19.708 -10.095 -4.489 1.00 0.00 H new ATOM 0 HG21 VAL A 90 17.445 -8.958 -2.831 1.00 0.00 H new ATOM 0 HG22 VAL A 90 17.947 -8.278 -4.398 1.00 0.00 H new ATOM 0 HG23 VAL A 90 16.245 -8.719 -4.123 1.00 0.00 H new ATOM 679 N GLY A 91 17.018 -13.048 -6.215 1.00 0.00 N ATOM 680 CA GLY A 91 17.221 -14.409 -6.796 1.00 0.00 C ATOM 681 C GLY A 91 15.933 -15.244 -6.945 1.00 0.00 C ATOM 682 O GLY A 91 15.815 -16.309 -6.338 1.00 0.00 O ATOM 0 H GLY A 91 16.277 -13.006 -5.515 1.00 0.00 H new ATOM 0 HA2 GLY A 91 17.686 -14.305 -7.776 1.00 0.00 H new ATOM 0 HA3 GLY A 91 17.922 -14.957 -6.167 1.00 0.00 H new ATOM 683 N ARG A 92 14.978 -14.759 -7.759 1.00 0.00 N ATOM 684 CA ARG A 92 13.624 -15.369 -7.969 1.00 0.00 C ATOM 685 C ARG A 92 12.723 -15.331 -6.679 1.00 0.00 C ATOM 686 O ARG A 92 11.826 -14.490 -6.581 1.00 0.00 O ATOM 687 CB ARG A 92 13.743 -16.755 -8.678 1.00 0.00 C ATOM 688 CG ARG A 92 12.413 -17.292 -9.268 1.00 0.00 C ATOM 689 CD ARG A 92 12.530 -18.645 -9.994 1.00 0.00 C ATOM 690 NE ARG A 92 13.237 -18.503 -11.295 1.00 0.00 N ATOM 691 CZ ARG A 92 13.392 -19.472 -12.190 1.00 0.00 C ATOM 692 NH1 ARG A 92 12.926 -20.686 -12.049 1.00 0.00 N ATOM 693 NH2 ARG A 92 14.047 -19.196 -13.274 1.00 0.00 N ATOM 0 H ARG A 92 15.116 -13.911 -8.309 1.00 0.00 H new ATOM 0 HA ARG A 92 13.065 -14.741 -8.663 1.00 0.00 H new ATOM 0 HB2 ARG A 92 14.476 -16.677 -9.481 1.00 0.00 H new ATOM 0 HB3 ARG A 92 14.129 -17.482 -7.964 1.00 0.00 H new ATOM 0 HG2 ARG A 92 11.687 -17.390 -8.461 1.00 0.00 H new ATOM 0 HG3 ARG A 92 12.017 -16.554 -9.966 1.00 0.00 H new ATOM 0 HD2 ARG A 92 13.066 -19.354 -9.362 1.00 0.00 H new ATOM 0 HD3 ARG A 92 11.535 -19.057 -10.162 1.00 0.00 H new ATOM 0 HE ARG A 92 13.634 -17.590 -11.517 1.00 0.00 H new ATOM 0 HH11 ARG A 92 12.405 -20.938 -11.209 1.00 0.00 H new ATOM 0 HH12 ARG A 92 13.083 -21.381 -12.779 1.00 0.00 H new ATOM 0 HH21 ARG A 92 14.424 -18.259 -13.418 1.00 0.00 H new ATOM 0 HH22 ARG A 92 14.185 -19.916 -13.983 1.00 0.00 H new ATOM 694 N SER A 93 12.972 -16.188 -5.674 1.00 0.00 N ATOM 695 CA SER A 93 12.222 -16.188 -4.389 1.00 0.00 C ATOM 696 C SER A 93 12.842 -15.237 -3.312 1.00 0.00 C ATOM 697 O SER A 93 13.001 -15.552 -2.133 1.00 0.00 O ATOM 698 CB SER A 93 12.165 -17.663 -3.926 1.00 0.00 C ATOM 699 OG SER A 93 11.425 -17.782 -2.708 1.00 0.00 O ATOM 0 H SER A 93 13.697 -16.903 -5.722 1.00 0.00 H new ATOM 0 HA SER A 93 11.219 -15.786 -4.533 1.00 0.00 H new ATOM 0 HB2 SER A 93 11.702 -18.275 -4.700 1.00 0.00 H new ATOM 0 HB3 SER A 93 13.176 -18.043 -3.782 1.00 0.00 H new ATOM 0 HG SER A 93 11.795 -17.169 -2.039 1.00 0.00 H new TER 700 SER A 93 HETATM 701 O OH A 94 13.141 -13.992 -3.800 1.00 0.00 O