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 53 THR OG1 : rot -103:sc= 0.251 USER MOD Set 1.2: A 59 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 30 HIS : no HD1:sc= -0.523 K(o=-0.41,f=-2.4!) USER MOD Set 2.2: A 37 SER OG : rot -66:sc= 0.114 USER MOD Set 3.1: A 32 THR OG1 : rot 0:sc= 1.22 USER MOD Set 3.2: A 80 THR OG1 : rot -98:sc= 1.2 USER MOD Set 4.1: A 26 ASN : amide:sc= 1.05 K(o=2.3,f=-1.1) USER MOD Set 4.2: A 58 TYR OH : rot -129:sc= 1.25 USER MOD Single : A 1 VAL N :NH3+ 146:sc= 0 (180deg=-0.0809) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot -136:sc= 0.987 USER MOD Single : A 22 GLN : amide:sc= 0.196 K(o=0.2,f=-1.3!) USER MOD Single : A 24 LYS NZ :NH3+ 167:sc= 0.26 (180deg=0.199) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.125 X(o=-0.13,f=-0.023) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 91:sc= 0.269 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -111:sc= 0.0819 (180deg=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 175:sc= 1.21 USER MOD Single : A 78 SER OG : rot -107:sc= 1.22 USER MOD Single : A 81 ASN : amide:sc= -0.135 K(o=-0.14,f=-2!) USER MOD Single : A 82 THR OG1 : rot -55:sc= 0.105 USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=-0.0052) USER MOD Single : A 89 ASN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 93 SER OG : rot -170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -17.032 -10.385 27.487 1.00 0.00 N ATOM 2 CA VAL A 1 -16.129 -10.547 26.306 1.00 0.00 C ATOM 3 C VAL A 1 -14.617 -10.642 26.759 1.00 0.00 C ATOM 4 O VAL A 1 -13.875 -9.668 26.589 1.00 0.00 O ATOM 5 CB VAL A 1 -16.419 -9.453 25.211 1.00 0.00 C ATOM 6 CG1 VAL A 1 -17.761 -9.678 24.477 1.00 0.00 C ATOM 7 CG2 VAL A 1 -16.364 -7.973 25.665 1.00 0.00 C ATOM 0 H1 VAL A 1 -17.840 -9.784 27.227 1.00 0.00 H new ATOM 0 H2 VAL A 1 -17.378 -11.318 27.790 1.00 0.00 H new ATOM 0 H3 VAL A 1 -16.507 -9.940 28.267 1.00 0.00 H new ATOM 0 HA VAL A 1 -16.344 -11.498 25.819 1.00 0.00 H new ATOM 0 HB VAL A 1 -15.573 -9.603 24.541 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -17.906 -8.893 23.735 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -17.746 -10.648 23.981 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -18.579 -9.651 25.197 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -16.582 -7.324 24.817 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -17.102 -7.805 26.449 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -15.369 -7.747 26.049 1.00 0.00 H new ATOM 8 N PRO A 2 -14.081 -11.786 27.298 1.00 0.00 N ATOM 9 CA PRO A 2 -12.658 -11.864 27.758 1.00 0.00 C ATOM 10 C PRO A 2 -11.536 -11.904 26.660 1.00 0.00 C ATOM 11 O PRO A 2 -10.458 -11.349 26.883 1.00 0.00 O ATOM 12 CB PRO A 2 -12.694 -13.118 28.657 1.00 0.00 C ATOM 13 CG PRO A 2 -13.827 -13.987 28.105 1.00 0.00 C ATOM 14 CD PRO A 2 -14.880 -12.980 27.644 1.00 0.00 C ATOM 0 HA PRO A 2 -12.354 -10.943 28.255 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -11.743 -13.649 28.628 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -12.877 -12.849 29.697 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -13.484 -14.611 27.280 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -14.223 -14.657 28.868 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -15.442 -13.350 26.787 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -15.603 -12.766 28.431 1.00 0.00 H new ATOM 15 N ASP A 3 -11.767 -12.552 25.505 1.00 0.00 N ATOM 16 CA ASP A 3 -10.803 -12.578 24.371 1.00 0.00 C ATOM 17 C ASP A 3 -11.438 -11.864 23.114 1.00 0.00 C ATOM 18 O ASP A 3 -12.228 -12.508 22.413 1.00 0.00 O ATOM 19 CB ASP A 3 -10.423 -14.066 24.145 1.00 0.00 C ATOM 20 CG ASP A 3 -9.289 -14.267 23.147 1.00 0.00 C ATOM 21 OD1 ASP A 3 -8.107 -14.076 23.411 1.00 0.00 O ATOM 22 OD2 ASP A 3 -9.733 -14.672 21.928 1.00 0.00 O ATOM 0 H ASP A 3 -12.624 -13.075 25.323 1.00 0.00 H new ATOM 0 HA ASP A 3 -9.888 -12.022 24.576 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -10.137 -14.507 25.100 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.302 -14.607 23.795 1.00 0.00 H new ATOM 23 N PRO A 4 -11.134 -10.572 22.775 1.00 0.00 N ATOM 24 CA PRO A 4 -11.674 -9.913 21.550 1.00 0.00 C ATOM 25 C PRO A 4 -11.226 -10.548 20.189 1.00 0.00 C ATOM 26 O PRO A 4 -10.035 -10.723 19.914 1.00 0.00 O ATOM 27 CB PRO A 4 -11.186 -8.459 21.717 1.00 0.00 C ATOM 28 CG PRO A 4 -10.984 -8.277 23.221 1.00 0.00 C ATOM 29 CD PRO A 4 -10.450 -9.630 23.685 1.00 0.00 C ATOM 0 HA PRO A 4 -12.757 -10.020 21.482 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.258 -8.290 21.171 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -11.918 -7.751 21.329 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -10.279 -7.474 23.435 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -11.918 -8.023 23.722 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -9.366 -9.692 23.593 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -10.693 -9.826 24.729 1.00 0.00 H new ATOM 30 N ARG A 5 -12.191 -10.849 19.314 1.00 0.00 N ATOM 31 CA ARG A 5 -11.957 -11.562 18.018 1.00 0.00 C ATOM 32 C ARG A 5 -11.360 -10.746 16.805 1.00 0.00 C ATOM 33 O ARG A 5 -11.673 -11.032 15.644 1.00 0.00 O ATOM 34 CB ARG A 5 -13.333 -12.232 17.694 1.00 0.00 C ATOM 35 CG ARG A 5 -14.530 -11.366 17.185 1.00 0.00 C ATOM 36 CD ARG A 5 -15.046 -10.209 18.065 1.00 0.00 C ATOM 37 NE ARG A 5 -15.478 -10.695 19.402 1.00 0.00 N ATOM 38 CZ ARG A 5 -15.659 -9.933 20.472 1.00 0.00 C ATOM 39 NH1 ARG A 5 -15.563 -8.629 20.476 1.00 0.00 N ATOM 40 NH2 ARG A 5 -15.950 -10.524 21.586 1.00 0.00 N ATOM 0 H ARG A 5 -13.170 -10.610 19.471 1.00 0.00 H new ATOM 0 HA ARG A 5 -11.136 -12.266 18.155 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -13.149 -13.001 16.944 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -13.665 -12.742 18.598 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -14.244 -10.944 16.222 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -15.368 -12.039 17.002 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -14.261 -9.462 18.184 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -15.882 -9.716 17.568 1.00 0.00 H new ATOM 0 HE ARG A 5 -15.649 -11.695 19.504 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -15.335 -8.132 19.615 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -15.716 -8.109 21.340 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -16.032 -11.540 21.618 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -16.097 -9.974 22.432 1.00 0.00 H new ATOM 41 N GLY A 6 -10.474 -9.760 17.046 1.00 0.00 N ATOM 42 CA GLY A 6 -9.852 -8.927 15.964 1.00 0.00 C ATOM 43 C GLY A 6 -10.747 -8.200 14.928 1.00 0.00 C ATOM 44 O GLY A 6 -10.428 -8.181 13.740 1.00 0.00 O ATOM 0 H GLY A 6 -10.162 -9.509 17.984 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -9.240 -8.168 16.452 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -9.174 -9.574 15.408 1.00 0.00 H new ATOM 45 N ILE A 7 -11.859 -7.628 15.401 1.00 0.00 N ATOM 46 CA ILE A 7 -12.909 -6.918 14.594 1.00 0.00 C ATOM 47 C ILE A 7 -13.484 -7.565 13.265 1.00 0.00 C ATOM 48 O ILE A 7 -14.191 -6.874 12.531 1.00 0.00 O ATOM 49 CB ILE A 7 -12.468 -5.403 14.503 1.00 0.00 C ATOM 50 CG1 ILE A 7 -13.699 -4.450 14.470 1.00 0.00 C ATOM 51 CG2 ILE A 7 -11.531 -5.069 13.312 1.00 0.00 C ATOM 52 CD1 ILE A 7 -13.446 -3.142 15.233 1.00 0.00 C ATOM 0 H ILE A 7 -12.080 -7.636 16.397 1.00 0.00 H new ATOM 0 HA ILE A 7 -13.845 -7.037 15.139 1.00 0.00 H new ATOM 0 HB ILE A 7 -11.889 -5.240 15.412 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -13.950 -4.221 13.434 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -14.561 -4.959 14.902 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -11.282 -4.008 13.331 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -10.617 -5.658 13.392 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -12.035 -5.306 12.375 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -14.334 -2.512 15.180 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -13.222 -3.367 16.276 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -12.602 -2.617 14.786 1.00 0.00 H new ATOM 53 N ILE A 8 -13.272 -8.875 12.997 1.00 0.00 N ATOM 54 CA ILE A 8 -13.770 -9.623 11.781 1.00 0.00 C ATOM 55 C ILE A 8 -13.702 -8.827 10.419 1.00 0.00 C ATOM 56 O ILE A 8 -14.714 -8.369 9.879 1.00 0.00 O ATOM 57 CB ILE A 8 -15.170 -10.320 12.020 1.00 0.00 C ATOM 58 CG1 ILE A 8 -16.314 -9.373 12.494 1.00 0.00 C ATOM 59 CG2 ILE A 8 -15.025 -11.512 13.003 1.00 0.00 C ATOM 60 CD1 ILE A 8 -17.741 -9.928 12.320 1.00 0.00 C ATOM 0 H ILE A 8 -12.737 -9.472 13.628 1.00 0.00 H new ATOM 0 HA ILE A 8 -13.038 -10.420 11.649 1.00 0.00 H new ATOM 0 HB ILE A 8 -15.476 -10.671 11.035 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -16.158 -9.140 13.547 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -16.237 -8.434 11.945 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -15.998 -11.979 13.155 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -14.332 -12.244 12.588 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -14.642 -11.152 13.958 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -18.463 -9.195 12.679 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -17.926 -10.133 11.265 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -17.845 -10.850 12.892 1.00 0.00 H new ATOM 61 N ILE A 9 -12.505 -8.743 9.809 1.00 0.00 N ATOM 62 CA ILE A 9 -12.294 -7.899 8.592 1.00 0.00 C ATOM 63 C ILE A 9 -12.525 -8.702 7.271 1.00 0.00 C ATOM 64 O ILE A 9 -12.138 -9.862 7.102 1.00 0.00 O ATOM 65 CB ILE A 9 -10.883 -7.218 8.565 1.00 0.00 C ATOM 66 CG1 ILE A 9 -9.678 -8.202 8.594 1.00 0.00 C ATOM 67 CG2 ILE A 9 -10.755 -6.168 9.691 1.00 0.00 C ATOM 68 CD1 ILE A 9 -8.421 -7.645 7.913 1.00 0.00 C ATOM 0 H ILE A 9 -11.671 -9.238 10.125 1.00 0.00 H new ATOM 0 HA ILE A 9 -13.044 -7.110 8.652 1.00 0.00 H new ATOM 0 HB ILE A 9 -10.828 -6.726 7.594 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.443 -8.447 9.630 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.966 -9.132 8.104 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.767 -5.710 9.651 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.517 -5.400 9.560 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.891 -6.653 10.658 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -7.620 -8.382 7.969 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.640 -7.426 6.868 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.109 -6.730 8.417 1.00 0.00 H new ATOM 69 N ASN A 10 -13.221 -8.033 6.348 1.00 0.00 N ATOM 70 CA ASN A 10 -13.663 -8.650 5.063 1.00 0.00 C ATOM 71 C ASN A 10 -13.691 -7.645 3.853 1.00 0.00 C ATOM 72 O ASN A 10 -14.763 -7.304 3.345 1.00 0.00 O ATOM 73 CB ASN A 10 -15.051 -9.323 5.294 1.00 0.00 C ATOM 74 CG ASN A 10 -15.060 -10.657 6.030 1.00 0.00 C ATOM 75 OD1 ASN A 10 -14.774 -11.705 5.466 1.00 0.00 O ATOM 76 ND2 ASN A 10 -15.406 -10.677 7.288 1.00 0.00 N ATOM 0 H ASN A 10 -13.499 -7.057 6.454 1.00 0.00 H new ATOM 0 HA ASN A 10 -12.926 -9.399 4.774 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -15.677 -8.625 5.850 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -15.522 -9.469 4.322 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -15.437 -11.562 7.794 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -15.646 -9.808 7.765 1.00 0.00 H new ATOM 77 N LEU A 11 -12.528 -7.201 3.342 1.00 0.00 N ATOM 78 CA LEU A 11 -12.451 -6.339 2.121 1.00 0.00 C ATOM 79 C LEU A 11 -11.411 -6.871 1.088 1.00 0.00 C ATOM 80 O LEU A 11 -10.302 -7.301 1.408 1.00 0.00 O ATOM 81 CB LEU A 11 -12.186 -4.844 2.478 1.00 0.00 C ATOM 82 CG LEU A 11 -13.398 -4.133 3.120 1.00 0.00 C ATOM 83 CD1 LEU A 11 -13.198 -3.892 4.624 1.00 0.00 C ATOM 84 CD2 LEU A 11 -13.740 -2.804 2.433 1.00 0.00 C ATOM 0 H LEU A 11 -11.619 -7.419 3.749 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.430 -6.391 1.644 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.339 -4.788 3.162 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.900 -4.309 1.572 1.00 0.00 H new ATOM 0 HG LEU A 11 -14.237 -4.815 2.980 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -14.075 -3.390 5.032 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.058 -4.847 5.130 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -12.318 -3.268 4.779 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -14.599 -2.350 2.927 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.886 -2.130 2.499 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.978 -2.987 1.385 1.00 0.00 H new ATOM 85 N ASP A 12 -11.810 -6.859 -0.184 1.00 0.00 N ATOM 86 CA ASP A 12 -10.915 -7.218 -1.323 1.00 0.00 C ATOM 87 C ASP A 12 -10.046 -6.007 -1.823 1.00 0.00 C ATOM 88 O ASP A 12 -10.234 -4.856 -1.409 1.00 0.00 O ATOM 89 CB ASP A 12 -11.835 -7.803 -2.431 1.00 0.00 C ATOM 90 CG ASP A 12 -12.345 -9.210 -2.133 1.00 0.00 C ATOM 91 OD1 ASP A 12 -11.686 -10.225 -2.326 1.00 0.00 O ATOM 92 OD2 ASP A 12 -13.593 -9.205 -1.597 1.00 0.00 O ATOM 0 H ASP A 12 -12.755 -6.604 -0.470 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.174 -7.954 -1.012 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -12.689 -7.139 -2.568 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -11.288 -7.818 -3.374 1.00 0.00 H new ATOM 93 N GLU A 13 -9.092 -6.263 -2.743 1.00 0.00 N ATOM 94 CA GLU A 13 -8.298 -5.170 -3.385 1.00 0.00 C ATOM 95 C GLU A 13 -9.208 -4.493 -4.469 1.00 0.00 C ATOM 96 O GLU A 13 -9.644 -5.104 -5.448 1.00 0.00 O ATOM 97 CB GLU A 13 -6.942 -5.676 -3.941 1.00 0.00 C ATOM 98 CG GLU A 13 -5.854 -6.000 -2.880 1.00 0.00 C ATOM 99 CD GLU A 13 -6.065 -7.216 -1.978 1.00 0.00 C ATOM 100 OE1 GLU A 13 -5.996 -8.387 -2.665 1.00 0.00 O ATOM 101 OE2 GLU A 13 -6.264 -7.149 -0.768 1.00 0.00 O ATOM 0 H GLU A 13 -8.848 -7.201 -3.061 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.016 -4.422 -2.644 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -7.125 -6.574 -4.532 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.546 -4.922 -4.621 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.908 -6.134 -3.404 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.743 -5.125 -2.239 1.00 0.00 H new ATOM 102 N GLY A 14 -9.522 -3.226 -4.207 1.00 0.00 N ATOM 103 CA GLY A 14 -10.501 -2.422 -4.991 1.00 0.00 C ATOM 104 C GLY A 14 -11.509 -1.579 -4.150 1.00 0.00 C ATOM 105 O GLY A 14 -12.229 -0.771 -4.735 1.00 0.00 O ATOM 0 H GLY A 14 -9.105 -2.706 -3.435 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -9.949 -1.748 -5.645 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.067 -3.097 -5.633 1.00 0.00 H new ATOM 106 N GLU A 15 -11.579 -1.745 -2.813 1.00 0.00 N ATOM 107 CA GLU A 15 -12.544 -1.030 -1.935 1.00 0.00 C ATOM 108 C GLU A 15 -11.826 -0.059 -0.934 1.00 0.00 C ATOM 109 O GLU A 15 -10.662 -0.239 -0.556 1.00 0.00 O ATOM 110 CB GLU A 15 -13.378 -2.105 -1.177 1.00 0.00 C ATOM 111 CG GLU A 15 -14.238 -3.095 -2.014 1.00 0.00 C ATOM 112 CD GLU A 15 -15.272 -2.451 -2.938 1.00 0.00 C ATOM 113 OE1 GLU A 15 -16.219 -1.780 -2.544 1.00 0.00 O ATOM 114 OE2 GLU A 15 -15.019 -2.699 -4.250 1.00 0.00 O ATOM 0 H GLU A 15 -10.966 -2.382 -2.304 1.00 0.00 H new ATOM 0 HA GLU A 15 -13.194 -0.402 -2.544 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.690 -2.693 -0.570 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -14.045 -1.585 -0.489 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.569 -3.709 -2.618 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -14.756 -3.767 -1.330 1.00 0.00 H new ATOM 115 N LEU A 16 -12.552 0.979 -0.491 1.00 0.00 N ATOM 116 CA LEU A 16 -12.019 2.010 0.448 1.00 0.00 C ATOM 117 C LEU A 16 -12.058 1.559 1.955 1.00 0.00 C ATOM 118 O LEU A 16 -12.940 0.815 2.395 1.00 0.00 O ATOM 119 CB LEU A 16 -12.790 3.343 0.207 1.00 0.00 C ATOM 120 CG LEU A 16 -12.340 4.212 -1.002 1.00 0.00 C ATOM 121 CD1 LEU A 16 -12.877 3.703 -2.352 1.00 0.00 C ATOM 122 CD2 LEU A 16 -12.807 5.666 -0.820 1.00 0.00 C ATOM 0 H LEU A 16 -13.522 1.138 -0.765 1.00 0.00 H new ATOM 0 HA LEU A 16 -10.960 2.157 0.238 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -13.846 3.105 0.078 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -12.708 3.949 1.109 1.00 0.00 H new ATOM 0 HG LEU A 16 -11.252 4.147 -1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -12.526 4.354 -3.152 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -12.519 2.688 -2.527 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -13.967 3.705 -2.334 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -12.484 6.261 -1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -13.894 5.693 -0.749 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -12.374 6.076 0.092 1.00 0.00 H new ATOM 123 N CYS A 17 -11.077 2.035 2.743 1.00 0.00 N ATOM 124 CA CYS A 17 -10.880 1.627 4.162 1.00 0.00 C ATOM 125 C CYS A 17 -10.538 2.806 5.148 1.00 0.00 C ATOM 126 O CYS A 17 -10.400 3.968 4.754 1.00 0.00 O ATOM 127 CB CYS A 17 -9.666 0.660 4.093 1.00 0.00 C ATOM 128 SG CYS A 17 -8.147 1.644 4.018 1.00 0.00 S ATOM 0 H CYS A 17 -10.391 2.717 2.420 1.00 0.00 H new ATOM 0 HA CYS A 17 -11.802 1.201 4.557 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -9.652 0.008 4.966 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -9.744 0.017 3.216 1.00 0.00 H new ATOM 129 N LEU A 18 -10.332 2.476 6.439 1.00 0.00 N ATOM 130 CA LEU A 18 -9.820 3.425 7.453 1.00 0.00 C ATOM 131 C LEU A 18 -8.273 3.151 7.622 1.00 0.00 C ATOM 132 O LEU A 18 -7.459 3.976 7.214 1.00 0.00 O ATOM 133 CB LEU A 18 -10.725 3.253 8.711 1.00 0.00 C ATOM 134 CG LEU A 18 -10.283 4.013 9.976 1.00 0.00 C ATOM 135 CD1 LEU A 18 -10.289 5.542 9.809 1.00 0.00 C ATOM 136 CD2 LEU A 18 -11.160 3.629 11.178 1.00 0.00 C ATOM 0 H LEU A 18 -10.516 1.544 6.810 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.880 4.482 7.192 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.734 3.574 8.453 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.780 2.191 8.951 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.250 3.712 10.153 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.967 6.011 10.739 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -9.608 5.823 9.006 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.297 5.877 9.564 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.829 4.178 12.060 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.199 3.878 10.964 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.074 2.558 11.364 1.00 0.00 H new ATOM 137 N ASN A 19 -7.874 2.050 8.289 1.00 0.00 N ATOM 138 CA ASN A 19 -6.446 1.607 8.426 1.00 0.00 C ATOM 139 C ASN A 19 -5.982 0.546 7.353 1.00 0.00 C ATOM 140 O ASN A 19 -6.710 0.215 6.414 1.00 0.00 O ATOM 141 CB ASN A 19 -6.316 1.100 9.899 1.00 0.00 C ATOM 142 CG ASN A 19 -6.486 2.165 10.986 1.00 0.00 C ATOM 143 OD1 ASN A 19 -5.674 3.067 11.146 1.00 0.00 O ATOM 144 ND2 ASN A 19 -7.558 2.115 11.735 1.00 0.00 N ATOM 0 H ASN A 19 -8.531 1.427 8.758 1.00 0.00 H new ATOM 0 HA ASN A 19 -5.768 2.436 8.223 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -7.059 0.319 10.062 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.336 0.638 10.019 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -7.715 2.826 12.449 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -8.237 1.365 11.605 1.00 0.00 H new ATOM 145 N SER A 20 -4.758 -0.014 7.484 1.00 0.00 N ATOM 146 CA SER A 20 -4.290 -1.153 6.614 1.00 0.00 C ATOM 147 C SER A 20 -4.859 -2.554 7.010 1.00 0.00 C ATOM 148 O SER A 20 -5.113 -3.392 6.144 1.00 0.00 O ATOM 149 CB SER A 20 -2.755 -1.210 6.606 1.00 0.00 C ATOM 150 OG SER A 20 -2.242 -0.069 5.935 1.00 0.00 O ATOM 0 H SER A 20 -4.071 0.291 8.173 1.00 0.00 H new ATOM 0 HA SER A 20 -4.682 -0.939 5.620 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.377 -1.245 7.628 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.417 -2.120 6.110 1.00 0.00 H new ATOM 0 HG SER A 20 -1.514 -0.341 5.337 1.00 0.00 H new ATOM 151 N ALA A 21 -5.110 -2.782 8.311 1.00 0.00 N ATOM 152 CA ALA A 21 -5.772 -4.005 8.832 1.00 0.00 C ATOM 153 C ALA A 21 -7.330 -3.937 8.659 1.00 0.00 C ATOM 154 O ALA A 21 -8.135 -3.821 9.586 1.00 0.00 O ATOM 155 CB ALA A 21 -5.311 -4.063 10.292 1.00 0.00 C ATOM 0 H ALA A 21 -4.859 -2.119 9.044 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.502 -4.913 8.293 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.746 -4.937 10.776 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.224 -4.132 10.328 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.635 -3.161 10.812 1.00 0.00 H new ATOM 156 N GLN A 22 -7.686 -3.932 7.381 1.00 0.00 N ATOM 157 CA GLN A 22 -9.071 -3.754 6.867 1.00 0.00 C ATOM 158 C GLN A 22 -9.354 -4.706 5.656 1.00 0.00 C ATOM 159 O GLN A 22 -10.387 -5.380 5.628 1.00 0.00 O ATOM 160 CB GLN A 22 -9.233 -2.258 6.479 1.00 0.00 C ATOM 161 CG GLN A 22 -9.247 -1.214 7.628 1.00 0.00 C ATOM 162 CD GLN A 22 -10.512 -1.121 8.473 1.00 0.00 C ATOM 163 OE1 GLN A 22 -11.377 -0.288 8.233 1.00 0.00 O ATOM 164 NE2 GLN A 22 -10.641 -1.918 9.501 1.00 0.00 N ATOM 0 H GLN A 22 -7.005 -4.055 6.632 1.00 0.00 H new ATOM 0 HA GLN A 22 -9.800 -4.020 7.632 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.422 -1.998 5.799 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -10.163 -2.155 5.920 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -8.412 -1.434 8.294 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -9.058 -0.232 7.194 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -9.921 -2.612 9.702 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -11.462 -1.846 10.102 1.00 0.00 H new ATOM 165 N CYS A 23 -8.474 -4.736 4.636 1.00 0.00 N ATOM 166 CA CYS A 23 -8.571 -5.699 3.517 1.00 0.00 C ATOM 167 C CYS A 23 -7.965 -7.077 3.943 1.00 0.00 C ATOM 168 O CYS A 23 -6.947 -7.154 4.638 1.00 0.00 O ATOM 169 CB CYS A 23 -7.933 -5.023 2.303 1.00 0.00 C ATOM 170 SG CYS A 23 -8.975 -3.617 1.868 1.00 0.00 S ATOM 0 H CYS A 23 -7.681 -4.099 4.563 1.00 0.00 H new ATOM 0 HA CYS A 23 -9.595 -5.949 3.241 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -6.920 -4.694 2.534 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -7.860 -5.720 1.469 1.00 0.00 H new ATOM 171 N LYS A 24 -8.612 -8.167 3.514 1.00 0.00 N ATOM 172 CA LYS A 24 -8.280 -9.562 3.934 1.00 0.00 C ATOM 173 C LYS A 24 -6.812 -10.061 3.778 1.00 0.00 C ATOM 174 O LYS A 24 -6.369 -10.907 4.558 1.00 0.00 O ATOM 175 CB LYS A 24 -9.270 -10.516 3.208 1.00 0.00 C ATOM 176 CG LYS A 24 -10.750 -10.373 3.616 1.00 0.00 C ATOM 177 CD LYS A 24 -11.705 -11.417 3.006 1.00 0.00 C ATOM 178 CE LYS A 24 -12.062 -11.233 1.518 1.00 0.00 C ATOM 179 NZ LYS A 24 -13.123 -10.221 1.351 1.00 0.00 N ATOM 0 H LYS A 24 -9.392 -8.120 2.858 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.386 -9.562 5.019 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.189 -10.346 2.134 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.958 -11.544 3.393 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.818 -10.434 4.702 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.094 -9.379 3.330 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -11.258 -12.403 3.130 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -12.630 -11.412 3.582 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.175 -10.930 0.962 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.392 -12.184 1.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.193 -9.954 0.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.032 -10.615 1.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.893 -9.380 1.918 1.00 0.00 H new ATOM 180 N SER A 25 -6.073 -9.553 2.784 1.00 0.00 N ATOM 181 CA SER A 25 -4.627 -9.852 2.649 1.00 0.00 C ATOM 182 C SER A 25 -3.785 -8.961 3.636 1.00 0.00 C ATOM 183 O SER A 25 -3.275 -9.472 4.634 1.00 0.00 O ATOM 184 CB SER A 25 -4.267 -9.722 1.146 1.00 0.00 C ATOM 185 OG SER A 25 -2.883 -10.000 0.925 1.00 0.00 O ATOM 0 H SER A 25 -6.442 -8.936 2.061 1.00 0.00 H new ATOM 0 HA SER A 25 -4.378 -10.870 2.949 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.878 -10.410 0.561 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.499 -8.715 0.798 1.00 0.00 H new ATOM 0 HG SER A 25 -2.680 -9.913 -0.030 1.00 0.00 H new ATOM 186 N ASN A 26 -3.577 -7.666 3.319 1.00 0.00 N ATOM 187 CA ASN A 26 -2.732 -6.744 4.158 1.00 0.00 C ATOM 188 C ASN A 26 -2.725 -5.224 3.745 1.00 0.00 C ATOM 189 O ASN A 26 -2.665 -4.354 4.617 1.00 0.00 O ATOM 190 CB ASN A 26 -1.240 -7.239 4.183 1.00 0.00 C ATOM 191 CG ASN A 26 -0.379 -6.661 5.307 1.00 0.00 C ATOM 192 OD1 ASN A 26 0.338 -5.682 5.139 1.00 0.00 O ATOM 193 ND2 ASN A 26 -0.422 -7.234 6.481 1.00 0.00 N ATOM 0 H ASN A 26 -3.975 -7.221 2.492 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.210 -6.790 5.137 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.236 -8.326 4.267 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -0.776 -6.991 3.228 1.00 0.00 H new ATOM 0 HD21 ASN A 26 0.139 -6.866 7.249 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.016 -8.050 6.629 1.00 0.00 H new ATOM 194 N CYS A 27 -2.702 -4.910 2.435 1.00 0.00 N ATOM 195 CA CYS A 27 -2.464 -3.526 1.955 1.00 0.00 C ATOM 196 C CYS A 27 -3.673 -2.625 1.568 1.00 0.00 C ATOM 197 O CYS A 27 -4.332 -2.816 0.540 1.00 0.00 O ATOM 198 CB CYS A 27 -1.495 -3.617 0.743 1.00 0.00 C ATOM 199 SG CYS A 27 -0.741 -1.984 0.483 1.00 0.00 S ATOM 0 H CYS A 27 -2.844 -5.591 1.689 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.073 -3.012 2.833 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.724 -4.365 0.930 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.034 -3.932 -0.150 1.00 0.00 H new ATOM 200 N CYS A 28 -3.914 -1.595 2.393 1.00 0.00 N ATOM 201 CA CYS A 28 -4.863 -0.509 2.053 1.00 0.00 C ATOM 202 C CYS A 28 -3.966 0.616 1.446 1.00 0.00 C ATOM 203 O CYS A 28 -3.066 1.105 2.136 1.00 0.00 O ATOM 204 CB CYS A 28 -5.666 -0.030 3.258 1.00 0.00 C ATOM 205 SG CYS A 28 -6.954 1.020 2.572 1.00 0.00 S ATOM 0 H CYS A 28 -3.467 -1.486 3.303 1.00 0.00 H new ATOM 0 HA CYS A 28 -5.628 -0.844 1.352 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -6.092 -0.870 3.807 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -5.037 0.522 3.957 1.00 0.00 H new ATOM 206 N GLN A 29 -4.164 1.016 0.182 1.00 0.00 N ATOM 207 CA GLN A 29 -3.234 1.957 -0.502 1.00 0.00 C ATOM 208 C GLN A 29 -3.724 3.448 -0.544 1.00 0.00 C ATOM 209 O GLN A 29 -4.711 3.815 -1.181 1.00 0.00 O ATOM 210 CB GLN A 29 -2.939 1.314 -1.884 1.00 0.00 C ATOM 211 CG GLN A 29 -1.606 1.759 -2.557 1.00 0.00 C ATOM 212 CD GLN A 29 -1.594 2.873 -3.604 1.00 0.00 C ATOM 213 OE1 GLN A 29 -0.639 3.002 -4.360 1.00 0.00 O ATOM 214 NE2 GLN A 29 -2.596 3.700 -3.720 1.00 0.00 N ATOM 0 H GLN A 29 -4.950 0.712 -0.393 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.310 2.076 0.064 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.923 0.231 -1.766 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -3.763 1.549 -2.558 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.929 2.062 -1.758 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.172 0.875 -3.024 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.403 3.613 -3.102 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.573 4.433 -4.429 1.00 0.00 H new ATOM 215 N HIS A 30 -2.969 4.292 0.158 1.00 0.00 N ATOM 216 CA HIS A 30 -3.154 5.760 0.264 1.00 0.00 C ATOM 217 C HIS A 30 -2.531 6.525 -0.944 1.00 0.00 C ATOM 218 O HIS A 30 -1.536 6.080 -1.524 1.00 0.00 O ATOM 219 CB HIS A 30 -2.373 6.181 1.552 1.00 0.00 C ATOM 220 CG HIS A 30 -2.910 7.382 2.316 1.00 0.00 C ATOM 221 ND1 HIS A 30 -3.591 7.259 3.516 1.00 0.00 N ATOM 222 CD2 HIS A 30 -2.566 8.718 2.085 1.00 0.00 C ATOM 223 CE1 HIS A 30 -3.565 8.562 3.928 1.00 0.00 C ATOM 224 NE2 HIS A 30 -2.970 9.500 3.145 1.00 0.00 N ATOM 0 H HIS A 30 -2.169 3.966 0.700 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.217 5.999 0.287 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -2.351 5.328 2.231 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -1.341 6.391 1.271 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -2.058 9.083 1.205 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -4.014 8.844 4.869 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -2.855 10.502 3.299 1.00 0.00 H new ATOM 225 N ASP A 31 -3.015 7.731 -1.258 1.00 0.00 N ATOM 226 CA ASP A 31 -2.363 8.599 -2.287 1.00 0.00 C ATOM 227 C ASP A 31 -1.120 9.426 -1.748 1.00 0.00 C ATOM 228 O ASP A 31 -0.895 10.575 -2.131 1.00 0.00 O ATOM 229 CB ASP A 31 -3.472 9.403 -3.016 1.00 0.00 C ATOM 230 CG ASP A 31 -4.098 10.629 -2.353 1.00 0.00 C ATOM 231 OD1 ASP A 31 -3.655 11.176 -1.352 1.00 0.00 O ATOM 232 OD2 ASP A 31 -5.197 11.063 -3.031 1.00 0.00 O ATOM 0 H ASP A 31 -3.846 8.139 -0.829 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.869 7.982 -3.037 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.060 9.728 -3.971 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.282 8.708 -3.238 1.00 0.00 H new ATOM 233 N THR A 32 -0.277 8.802 -0.899 1.00 0.00 N ATOM 234 CA THR A 32 0.958 9.387 -0.279 1.00 0.00 C ATOM 235 C THR A 32 0.671 10.599 0.673 1.00 0.00 C ATOM 236 O THR A 32 0.645 11.760 0.252 1.00 0.00 O ATOM 237 CB THR A 32 2.098 9.673 -1.309 1.00 0.00 C ATOM 238 OG1 THR A 32 1.731 10.694 -2.225 1.00 0.00 O ATOM 239 CG2 THR A 32 2.487 8.440 -2.130 1.00 0.00 C ATOM 0 H THR A 32 -0.433 7.837 -0.607 1.00 0.00 H new ATOM 0 HA THR A 32 1.343 8.599 0.368 1.00 0.00 H new ATOM 0 HB THR A 32 2.949 9.985 -0.704 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.829 11.015 -2.014 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.283 8.703 -2.827 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.836 7.653 -1.461 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.620 8.085 -2.687 1.00 0.00 H new ATOM 240 N ILE A 33 0.452 10.305 1.973 1.00 0.00 N ATOM 241 CA ILE A 33 0.268 11.312 3.079 1.00 0.00 C ATOM 242 C ILE A 33 -1.078 12.143 3.021 1.00 0.00 C ATOM 243 O ILE A 33 -1.658 12.363 4.087 1.00 0.00 O ATOM 244 CB ILE A 33 1.585 12.157 3.313 1.00 0.00 C ATOM 245 CG1 ILE A 33 2.787 11.334 3.893 1.00 0.00 C ATOM 246 CG2 ILE A 33 1.394 13.345 4.298 1.00 0.00 C ATOM 247 CD1 ILE A 33 3.524 10.388 2.928 1.00 0.00 C ATOM 0 H ILE A 33 0.394 9.343 2.306 1.00 0.00 H new ATOM 0 HA ILE A 33 0.115 10.738 3.993 1.00 0.00 H new ATOM 0 HB ILE A 33 1.807 12.505 2.304 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.515 12.038 4.297 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.418 10.742 4.730 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.337 13.879 4.411 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.637 14.024 3.906 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.074 12.965 5.268 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.331 9.883 3.459 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.825 9.647 2.540 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.939 10.963 2.100 1.00 0.00 H new ATOM 248 N LEU A 34 -1.614 12.570 1.860 1.00 0.00 N ATOM 249 CA LEU A 34 -2.880 13.362 1.776 1.00 0.00 C ATOM 250 C LEU A 34 -4.150 12.494 2.118 1.00 0.00 C ATOM 251 O LEU A 34 -4.545 12.485 3.287 1.00 0.00 O ATOM 252 CB LEU A 34 -2.919 14.072 0.386 1.00 0.00 C ATOM 253 CG LEU A 34 -1.830 15.132 0.074 1.00 0.00 C ATOM 254 CD1 LEU A 34 -1.934 15.571 -1.395 1.00 0.00 C ATOM 255 CD2 LEU A 34 -1.929 16.373 0.977 1.00 0.00 C ATOM 0 H LEU A 34 -1.191 12.382 0.951 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.899 14.138 2.541 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.864 13.302 -0.383 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.891 14.554 0.285 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.867 14.659 0.268 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.167 16.315 -1.608 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.791 14.707 -2.044 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.918 16.003 -1.577 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.142 17.079 0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.902 16.846 0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.814 16.075 2.019 1.00 0.00 H new ATOM 256 N SER A 35 -4.802 11.774 1.176 1.00 0.00 N ATOM 257 CA SER A 35 -5.930 10.845 1.512 1.00 0.00 C ATOM 258 C SER A 35 -6.147 9.696 0.461 1.00 0.00 C ATOM 259 O SER A 35 -5.193 8.984 0.146 1.00 0.00 O ATOM 260 CB SER A 35 -7.197 11.687 1.879 1.00 0.00 C ATOM 261 OG SER A 35 -7.701 12.400 0.748 1.00 0.00 O ATOM 0 H SER A 35 -4.576 11.811 0.182 1.00 0.00 H new ATOM 0 HA SER A 35 -5.667 10.269 2.399 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.972 11.027 2.269 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.949 12.392 2.673 1.00 0.00 H new ATOM 0 HG SER A 35 -8.493 12.914 1.012 1.00 0.00 H new ATOM 262 N LEU A 36 -7.388 9.446 -0.018 1.00 0.00 N ATOM 263 CA LEU A 36 -7.770 8.312 -0.925 1.00 0.00 C ATOM 264 C LEU A 36 -7.153 6.913 -0.543 1.00 0.00 C ATOM 265 O LEU A 36 -6.215 6.423 -1.177 1.00 0.00 O ATOM 266 CB LEU A 36 -7.508 8.741 -2.397 1.00 0.00 C ATOM 267 CG LEU A 36 -8.102 7.816 -3.493 1.00 0.00 C ATOM 268 CD1 LEU A 36 -9.638 7.885 -3.564 1.00 0.00 C ATOM 269 CD2 LEU A 36 -7.520 8.180 -4.868 1.00 0.00 C ATOM 0 H LEU A 36 -8.183 10.040 0.217 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.836 8.124 -0.794 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.911 9.744 -2.539 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.431 8.806 -2.549 1.00 0.00 H new ATOM 0 HG LEU A 36 -7.827 6.797 -3.220 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.996 7.218 -4.348 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.061 7.580 -2.607 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.946 8.906 -3.788 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.945 7.524 -5.628 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.765 9.215 -5.104 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.437 8.059 -4.848 1.00 0.00 H new ATOM 270 N SER A 37 -7.705 6.280 0.500 1.00 0.00 N ATOM 271 CA SER A 37 -7.163 5.008 1.051 1.00 0.00 C ATOM 272 C SER A 37 -7.969 3.782 0.507 1.00 0.00 C ATOM 273 O SER A 37 -8.934 3.308 1.113 1.00 0.00 O ATOM 274 CB SER A 37 -7.180 5.130 2.593 1.00 0.00 C ATOM 275 OG SER A 37 -6.518 6.300 3.096 1.00 0.00 O ATOM 0 H SER A 37 -8.532 6.622 0.989 1.00 0.00 H new ATOM 0 HA SER A 37 -6.136 4.835 0.729 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.215 5.136 2.935 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.708 4.246 3.022 1.00 0.00 H new ATOM 0 HG SER A 37 -5.559 6.242 2.902 1.00 0.00 H new ATOM 276 N ARG A 38 -7.557 3.286 -0.666 1.00 0.00 N ATOM 277 CA ARG A 38 -8.249 2.202 -1.417 1.00 0.00 C ATOM 278 C ARG A 38 -7.286 0.986 -1.608 1.00 0.00 C ATOM 279 O ARG A 38 -6.157 1.148 -2.075 1.00 0.00 O ATOM 280 CB ARG A 38 -8.723 2.884 -2.734 1.00 0.00 C ATOM 281 CG ARG A 38 -9.674 2.083 -3.658 1.00 0.00 C ATOM 282 CD ARG A 38 -9.020 1.051 -4.590 1.00 0.00 C ATOM 283 NE ARG A 38 -8.140 1.689 -5.603 1.00 0.00 N ATOM 284 CZ ARG A 38 -7.210 1.065 -6.317 1.00 0.00 C ATOM 285 NH1 ARG A 38 -6.901 -0.199 -6.188 1.00 0.00 N ATOM 286 NH2 ARG A 38 -6.561 1.757 -7.199 1.00 0.00 N ATOM 0 H ARG A 38 -6.719 3.625 -1.138 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.109 1.772 -0.903 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.220 3.817 -2.468 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.838 3.148 -3.312 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.400 1.565 -3.032 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.230 2.792 -4.271 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -8.437 0.346 -3.997 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.796 0.477 -5.095 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.260 2.689 -5.763 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -7.388 -0.775 -5.501 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.173 -0.609 -6.774 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.771 2.747 -7.326 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -5.839 1.312 -7.766 1.00 0.00 H new ATOM 287 N CYS A 39 -7.694 -0.243 -1.241 1.00 0.00 N ATOM 288 CA CYS A 39 -6.792 -1.425 -1.281 1.00 0.00 C ATOM 289 C CYS A 39 -6.328 -1.891 -2.693 1.00 0.00 C ATOM 290 O CYS A 39 -7.064 -1.915 -3.678 1.00 0.00 O ATOM 291 CB CYS A 39 -7.475 -2.573 -0.526 1.00 0.00 C ATOM 292 SG CYS A 39 -7.838 -2.148 1.174 1.00 0.00 S ATOM 0 H CYS A 39 -8.638 -0.450 -0.914 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.863 -1.114 -0.803 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -8.400 -2.841 -1.037 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -6.832 -3.453 -0.549 1.00 0.00 H new ATOM 293 N ALA A 40 -5.053 -2.274 -2.729 1.00 0.00 N ATOM 294 CA ALA A 40 -4.324 -2.631 -3.962 1.00 0.00 C ATOM 295 C ALA A 40 -3.324 -3.824 -3.797 1.00 0.00 C ATOM 296 O ALA A 40 -3.078 -4.342 -2.703 1.00 0.00 O ATOM 297 CB ALA A 40 -3.619 -1.312 -4.309 1.00 0.00 C ATOM 0 H ALA A 40 -4.479 -2.349 -1.889 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.986 -3.002 -4.745 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.033 -1.441 -5.219 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.364 -0.531 -4.464 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.959 -1.026 -3.490 1.00 0.00 H new ATOM 298 N LEU A 41 -2.754 -4.264 -4.926 1.00 0.00 N ATOM 299 CA LEU A 41 -1.752 -5.367 -4.956 1.00 0.00 C ATOM 300 C LEU A 41 -0.277 -4.896 -4.681 1.00 0.00 C ATOM 301 O LEU A 41 0.053 -3.707 -4.715 1.00 0.00 O ATOM 302 CB LEU A 41 -1.960 -6.140 -6.300 1.00 0.00 C ATOM 303 CG LEU A 41 -1.820 -5.421 -7.676 1.00 0.00 C ATOM 304 CD1 LEU A 41 -0.369 -5.065 -8.038 1.00 0.00 C ATOM 305 CD2 LEU A 41 -2.388 -6.317 -8.789 1.00 0.00 C ATOM 0 H LEU A 41 -2.965 -3.876 -5.846 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.918 -6.051 -4.123 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.254 -6.971 -6.302 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.960 -6.572 -6.267 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.377 -4.488 -7.588 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.347 -4.567 -9.008 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.042 -4.399 -7.279 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.228 -5.976 -8.084 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.289 -5.811 -9.749 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.838 -7.258 -8.815 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.441 -6.518 -8.592 1.00 0.00 H new ATOM 306 N LYS A 42 0.608 -5.863 -4.399 1.00 0.00 N ATOM 307 CA LYS A 42 2.055 -5.602 -4.135 1.00 0.00 C ATOM 308 C LYS A 42 2.869 -5.257 -5.437 1.00 0.00 C ATOM 309 O LYS A 42 2.604 -5.787 -6.522 1.00 0.00 O ATOM 310 CB LYS A 42 2.635 -6.865 -3.429 1.00 0.00 C ATOM 311 CG LYS A 42 2.097 -7.244 -2.025 1.00 0.00 C ATOM 312 CD LYS A 42 2.445 -6.236 -0.911 1.00 0.00 C ATOM 313 CE LYS A 42 1.958 -6.707 0.467 1.00 0.00 C ATOM 314 NZ LYS A 42 2.281 -5.688 1.487 1.00 0.00 N ATOM 0 H LYS A 42 0.355 -6.850 -4.344 1.00 0.00 H new ATOM 0 HA LYS A 42 2.146 -4.720 -3.500 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.470 -7.718 -4.088 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.713 -6.731 -3.345 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.013 -7.344 -2.081 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.494 -8.221 -1.750 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.524 -6.087 -0.882 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.996 -5.270 -1.143 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.882 -6.882 0.442 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.430 -7.655 0.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.949 -6.012 2.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.310 -5.542 1.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.811 -4.793 1.244 1.00 0.00 H new ATOM 315 N ALA A 43 3.889 -4.390 -5.323 1.00 0.00 N ATOM 316 CA ALA A 43 4.665 -3.892 -6.486 1.00 0.00 C ATOM 317 C ALA A 43 5.728 -4.889 -7.072 1.00 0.00 C ATOM 318 O ALA A 43 6.118 -5.898 -6.474 1.00 0.00 O ATOM 319 CB ALA A 43 5.294 -2.569 -5.990 1.00 0.00 C ATOM 0 H ALA A 43 4.203 -4.012 -4.429 1.00 0.00 H new ATOM 0 HA ALA A 43 4.007 -3.757 -7.344 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.889 -2.127 -6.789 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.504 -1.876 -5.701 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.933 -2.770 -5.130 1.00 0.00 H new ATOM 320 N ARG A 44 6.173 -4.575 -8.296 1.00 0.00 N ATOM 321 CA ARG A 44 7.114 -5.422 -9.084 1.00 0.00 C ATOM 322 C ARG A 44 8.340 -4.610 -9.618 1.00 0.00 C ATOM 323 O ARG A 44 8.365 -3.379 -9.630 1.00 0.00 O ATOM 324 CB ARG A 44 6.303 -6.142 -10.208 1.00 0.00 C ATOM 325 CG ARG A 44 5.831 -7.543 -9.766 1.00 0.00 C ATOM 326 CD ARG A 44 5.010 -8.286 -10.827 1.00 0.00 C ATOM 327 NE ARG A 44 4.774 -9.673 -10.351 1.00 0.00 N ATOM 328 CZ ARG A 44 4.078 -10.598 -10.997 1.00 0.00 C ATOM 329 NH1 ARG A 44 3.479 -10.402 -12.144 1.00 0.00 N ATOM 330 NH2 ARG A 44 3.987 -11.771 -10.454 1.00 0.00 N ATOM 0 H ARG A 44 5.895 -3.722 -8.782 1.00 0.00 H new ATOM 0 HA ARG A 44 7.558 -6.180 -8.439 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.438 -5.536 -10.478 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.921 -6.232 -11.102 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.703 -8.145 -9.508 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.232 -7.445 -8.860 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.061 -7.777 -10.997 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.541 -8.297 -11.779 1.00 0.00 H new ATOM 0 HE ARG A 44 5.181 -9.935 -9.453 1.00 0.00 H new ATOM 0 HH11 ARG A 44 3.531 -9.490 -12.597 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.960 -11.161 -12.585 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.442 -11.956 -9.560 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.460 -12.509 -10.920 1.00 0.00 H new ATOM 331 N GLU A 45 9.366 -5.352 -10.061 1.00 0.00 N ATOM 332 CA GLU A 45 10.698 -4.827 -10.478 1.00 0.00 C ATOM 333 C GLU A 45 10.716 -3.532 -11.362 1.00 0.00 C ATOM 334 O GLU A 45 10.076 -3.455 -12.414 1.00 0.00 O ATOM 335 CB GLU A 45 11.448 -5.991 -11.190 1.00 0.00 C ATOM 336 CG GLU A 45 12.993 -5.849 -11.192 1.00 0.00 C ATOM 337 CD GLU A 45 13.712 -6.905 -12.025 1.00 0.00 C ATOM 338 OE1 GLU A 45 13.880 -8.064 -11.661 1.00 0.00 O ATOM 339 OE2 GLU A 45 14.147 -6.418 -13.218 1.00 0.00 O ATOM 0 H GLU A 45 9.301 -6.366 -10.146 1.00 0.00 H new ATOM 0 HA GLU A 45 11.190 -4.490 -9.566 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.182 -6.930 -10.704 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.100 -6.055 -12.221 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.256 -4.861 -11.570 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.354 -5.903 -10.165 1.00 0.00 H new ATOM 340 N ASN A 46 11.484 -2.537 -10.897 1.00 0.00 N ATOM 341 CA ASN A 46 11.566 -1.159 -11.495 1.00 0.00 C ATOM 342 C ASN A 46 10.299 -0.247 -11.261 1.00 0.00 C ATOM 343 O ASN A 46 10.172 0.797 -11.906 1.00 0.00 O ATOM 344 CB ASN A 46 12.048 -1.184 -12.979 1.00 0.00 C ATOM 345 CG ASN A 46 13.441 -1.767 -13.194 1.00 0.00 C ATOM 346 OD1 ASN A 46 14.453 -1.224 -12.770 1.00 0.00 O ATOM 347 ND2 ASN A 46 13.542 -2.891 -13.850 1.00 0.00 N ATOM 0 H ASN A 46 12.084 -2.650 -10.080 1.00 0.00 H new ATOM 0 HA ASN A 46 12.344 -0.656 -10.920 1.00 0.00 H new ATOM 0 HB2 ASN A 46 11.334 -1.761 -13.567 1.00 0.00 H new ATOM 0 HB3 ASN A 46 12.033 -0.166 -13.368 1.00 0.00 H new ATOM 0 HD21 ASN A 46 14.459 -3.310 -14.006 1.00 0.00 H new ATOM 0 HD22 ASN A 46 12.704 -3.350 -14.207 1.00 0.00 H new ATOM 348 N SER A 47 9.422 -0.566 -10.286 1.00 0.00 N ATOM 349 CA SER A 47 8.268 0.289 -9.899 1.00 0.00 C ATOM 350 C SER A 47 8.405 0.760 -8.413 1.00 0.00 C ATOM 351 O SER A 47 8.992 0.097 -7.554 1.00 0.00 O ATOM 352 CB SER A 47 6.962 -0.498 -10.150 1.00 0.00 C ATOM 353 OG SER A 47 5.830 0.363 -10.008 1.00 0.00 O ATOM 0 H SER A 47 9.490 -1.425 -9.740 1.00 0.00 H new ATOM 0 HA SER A 47 8.247 1.193 -10.507 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.976 -0.930 -11.151 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.888 -1.327 -9.446 1.00 0.00 H new ATOM 0 HG SER A 47 5.009 -0.147 -10.171 1.00 0.00 H new ATOM 354 N GLU A 48 7.858 1.937 -8.114 1.00 0.00 N ATOM 355 CA GLU A 48 7.958 2.600 -6.796 1.00 0.00 C ATOM 356 C GLU A 48 7.252 1.858 -5.602 1.00 0.00 C ATOM 357 O GLU A 48 6.052 1.579 -5.585 1.00 0.00 O ATOM 358 CB GLU A 48 7.462 4.062 -6.962 1.00 0.00 C ATOM 359 CG GLU A 48 5.985 4.247 -7.389 1.00 0.00 C ATOM 360 CD GLU A 48 5.501 5.693 -7.416 1.00 0.00 C ATOM 361 OE1 GLU A 48 5.745 6.515 -6.539 1.00 0.00 O ATOM 362 OE2 GLU A 48 4.737 5.961 -8.508 1.00 0.00 O ATOM 0 H GLU A 48 7.318 2.476 -8.791 1.00 0.00 H new ATOM 0 HA GLU A 48 9.006 2.573 -6.496 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.611 4.582 -6.016 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.095 4.555 -7.700 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.852 3.816 -8.381 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.351 3.680 -6.708 1.00 0.00 H new ATOM 363 N CYS A 49 8.075 1.559 -4.604 1.00 0.00 N ATOM 364 CA CYS A 49 7.651 0.972 -3.309 1.00 0.00 C ATOM 365 C CYS A 49 7.866 1.976 -2.137 1.00 0.00 C ATOM 366 O CYS A 49 8.908 2.621 -1.998 1.00 0.00 O ATOM 367 CB CYS A 49 8.474 -0.308 -3.074 1.00 0.00 C ATOM 368 SG CYS A 49 8.372 -0.833 -1.348 1.00 0.00 S ATOM 0 H CYS A 49 9.081 1.716 -4.660 1.00 0.00 H new ATOM 0 HA CYS A 49 6.587 0.740 -3.345 1.00 0.00 H new ATOM 0 HB2 CYS A 49 8.109 -1.104 -3.723 1.00 0.00 H new ATOM 0 HB3 CYS A 49 9.515 -0.130 -3.343 1.00 0.00 H new ATOM 369 N SER A 50 6.880 2.046 -1.248 1.00 0.00 N ATOM 370 CA SER A 50 6.977 2.829 0.012 1.00 0.00 C ATOM 371 C SER A 50 7.312 1.842 1.160 1.00 0.00 C ATOM 372 O SER A 50 6.507 0.965 1.497 1.00 0.00 O ATOM 373 CB SER A 50 5.655 3.564 0.286 1.00 0.00 C ATOM 374 OG SER A 50 5.706 4.242 1.545 1.00 0.00 O ATOM 0 H SER A 50 5.987 1.568 -1.366 1.00 0.00 H new ATOM 0 HA SER A 50 7.759 3.584 -0.066 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.460 4.281 -0.511 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.830 2.852 0.284 1.00 0.00 H new ATOM 0 HG SER A 50 6.039 5.154 1.412 1.00 0.00 H new ATOM 375 N ALA A 51 8.490 1.992 1.777 1.00 0.00 N ATOM 376 CA ALA A 51 8.911 1.082 2.864 1.00 0.00 C ATOM 377 C ALA A 51 8.285 1.362 4.278 1.00 0.00 C ATOM 378 O ALA A 51 8.252 0.420 5.073 1.00 0.00 O ATOM 379 CB ALA A 51 10.450 1.140 2.867 1.00 0.00 C ATOM 0 H ALA A 51 9.165 2.723 1.551 1.00 0.00 H new ATOM 0 HA ALA A 51 8.530 0.081 2.663 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.837 0.488 3.650 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.828 0.810 1.900 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.775 2.163 3.054 1.00 0.00 H new ATOM 380 N PHE A 52 7.788 2.585 4.610 1.00 0.00 N ATOM 381 CA PHE A 52 7.265 2.891 5.976 1.00 0.00 C ATOM 382 C PHE A 52 5.835 3.550 6.076 1.00 0.00 C ATOM 383 O PHE A 52 5.335 4.229 5.183 1.00 0.00 O ATOM 384 CB PHE A 52 8.366 3.687 6.753 1.00 0.00 C ATOM 385 CG PHE A 52 8.948 2.811 7.869 1.00 0.00 C ATOM 386 CD1 PHE A 52 8.300 2.736 9.107 1.00 0.00 C ATOM 387 CD2 PHE A 52 9.978 1.915 7.573 1.00 0.00 C ATOM 388 CE1 PHE A 52 8.698 1.789 10.047 1.00 0.00 C ATOM 389 CE2 PHE A 52 10.376 0.969 8.515 1.00 0.00 C ATOM 390 CZ PHE A 52 9.740 0.911 9.754 1.00 0.00 C ATOM 0 H PHE A 52 7.738 3.369 3.960 1.00 0.00 H new ATOM 0 HA PHE A 52 7.069 1.929 6.449 1.00 0.00 H new ATOM 0 HB2 PHE A 52 9.157 3.994 6.069 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.940 4.597 7.176 1.00 0.00 H new ATOM 0 HD1 PHE A 52 7.490 3.414 9.334 1.00 0.00 H new ATOM 0 HD2 PHE A 52 10.467 1.956 6.611 1.00 0.00 H new ATOM 0 HE1 PHE A 52 8.199 1.735 11.003 1.00 0.00 H new ATOM 0 HE2 PHE A 52 11.176 0.281 8.286 1.00 0.00 H new ATOM 0 HZ PHE A 52 10.055 0.184 10.488 1.00 0.00 H new ATOM 391 N THR A 53 5.273 3.271 7.265 1.00 0.00 N ATOM 392 CA THR A 53 3.895 3.487 7.842 1.00 0.00 C ATOM 393 C THR A 53 3.690 2.039 8.396 1.00 0.00 C ATOM 394 O THR A 53 4.554 1.658 9.197 1.00 0.00 O ATOM 395 CB THR A 53 2.753 3.974 6.904 1.00 0.00 C ATOM 396 OG1 THR A 53 1.521 4.052 7.601 1.00 0.00 O ATOM 397 CG2 THR A 53 2.465 3.126 5.658 1.00 0.00 C ATOM 0 H THR A 53 5.854 2.815 7.969 1.00 0.00 H new ATOM 0 HA THR A 53 3.842 4.323 8.539 1.00 0.00 H new ATOM 0 HB THR A 53 3.137 4.937 6.568 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.959 3.286 7.359 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.649 3.575 5.093 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.357 3.082 5.034 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.184 2.117 5.961 1.00 0.00 H new ATOM 398 N LEU A 54 2.504 1.431 8.563 1.00 0.00 N ATOM 399 CA LEU A 54 2.370 -0.078 8.693 1.00 0.00 C ATOM 400 C LEU A 54 0.908 -0.470 8.972 1.00 0.00 C ATOM 401 O LEU A 54 0.189 -1.071 8.172 1.00 0.00 O ATOM 402 CB LEU A 54 3.531 -0.932 9.294 1.00 0.00 C ATOM 403 CG LEU A 54 4.649 -1.049 8.203 1.00 0.00 C ATOM 404 CD1 LEU A 54 6.072 -0.974 8.739 1.00 0.00 C ATOM 405 CD2 LEU A 54 4.384 -2.135 7.167 1.00 0.00 C ATOM 0 H LEU A 54 1.617 1.932 8.614 1.00 0.00 H new ATOM 0 HA LEU A 54 2.613 -0.470 7.705 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.924 -0.463 10.196 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.171 -1.920 9.580 1.00 0.00 H new ATOM 0 HG LEU A 54 4.575 -0.127 7.626 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.777 -1.064 7.913 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.222 -0.018 9.241 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.237 -1.786 9.447 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.200 -2.156 6.445 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.314 -3.103 7.664 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.448 -1.924 6.650 1.00 0.00 H new ATOM 406 N TYR A 55 0.505 -0.100 10.189 1.00 0.00 N ATOM 407 CA TYR A 55 -0.928 -0.152 10.596 1.00 0.00 C ATOM 408 C TYR A 55 -1.675 1.100 9.995 1.00 0.00 C ATOM 409 O TYR A 55 -2.878 1.018 9.731 1.00 0.00 O ATOM 410 CB TYR A 55 -1.046 -0.303 12.136 1.00 0.00 C ATOM 411 CG TYR A 55 -0.647 -1.709 12.621 1.00 0.00 C ATOM 412 CD1 TYR A 55 -1.543 -2.775 12.494 1.00 0.00 C ATOM 413 CD2 TYR A 55 0.660 -1.958 13.053 1.00 0.00 C ATOM 414 CE1 TYR A 55 -1.130 -4.076 12.773 1.00 0.00 C ATOM 415 CE2 TYR A 55 1.071 -3.259 13.331 1.00 0.00 C ATOM 416 CZ TYR A 55 0.176 -4.316 13.194 1.00 0.00 C ATOM 417 OH TYR A 55 0.592 -5.593 13.452 1.00 0.00 O ATOM 0 H TYR A 55 1.135 0.239 10.916 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.424 -1.033 10.189 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.411 0.439 12.621 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.071 -0.094 12.441 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.559 -2.589 12.178 1.00 0.00 H new ATOM 0 HD2 TYR A 55 1.353 -1.138 13.171 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -1.822 -4.898 12.663 1.00 0.00 H new ATOM 0 HE2 TYR A 55 2.084 -3.448 13.653 1.00 0.00 H new ATOM 0 HH TYR A 55 1.530 -5.581 13.734 1.00 0.00 H new ATOM 418 N GLY A 56 -0.960 2.230 9.743 1.00 0.00 N ATOM 419 CA GLY A 56 -1.521 3.367 8.995 1.00 0.00 C ATOM 420 C GLY A 56 -1.395 3.043 7.485 1.00 0.00 C ATOM 421 O GLY A 56 -0.558 2.248 7.041 1.00 0.00 O ATOM 0 H GLY A 56 0.003 2.369 10.050 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.565 3.526 9.267 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.985 4.285 9.236 1.00 0.00 H new ATOM 422 N VAL A 57 -2.187 3.715 6.674 1.00 0.00 N ATOM 423 CA VAL A 57 -2.430 3.268 5.264 1.00 0.00 C ATOM 424 C VAL A 57 -1.166 3.471 4.356 1.00 0.00 C ATOM 425 O VAL A 57 -0.447 4.473 4.397 1.00 0.00 O ATOM 426 CB VAL A 57 -3.732 3.963 4.774 1.00 0.00 C ATOM 427 CG1 VAL A 57 -4.120 3.726 3.306 1.00 0.00 C ATOM 428 CG2 VAL A 57 -4.957 3.487 5.569 1.00 0.00 C ATOM 0 H VAL A 57 -2.681 4.567 6.937 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.590 2.191 5.206 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.486 5.015 4.916 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.043 4.261 3.083 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.324 4.089 2.656 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.268 2.660 3.136 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.849 3.993 5.200 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.074 2.410 5.447 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.818 3.720 6.625 1.00 0.00 H new ATOM 429 N TYR A 58 -0.913 2.420 3.570 1.00 0.00 N ATOM 430 CA TYR A 58 0.296 2.266 2.727 1.00 0.00 C ATOM 431 C TYR A 58 0.405 3.273 1.562 1.00 0.00 C ATOM 432 O TYR A 58 -0.453 3.332 0.686 1.00 0.00 O ATOM 433 CB TYR A 58 0.282 0.822 2.171 1.00 0.00 C ATOM 434 CG TYR A 58 0.693 -0.258 3.173 1.00 0.00 C ATOM 435 CD1 TYR A 58 2.050 -0.449 3.428 1.00 0.00 C ATOM 436 CD2 TYR A 58 -0.247 -1.103 3.764 1.00 0.00 C ATOM 437 CE1 TYR A 58 2.475 -1.551 4.163 1.00 0.00 C ATOM 438 CE2 TYR A 58 0.180 -2.207 4.504 1.00 0.00 C ATOM 439 CZ TYR A 58 1.540 -2.448 4.672 1.00 0.00 C ATOM 440 OH TYR A 58 1.965 -3.575 5.321 1.00 0.00 O ATOM 0 H TYR A 58 -1.553 1.629 3.494 1.00 0.00 H new ATOM 0 HA TYR A 58 1.164 2.470 3.354 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.721 0.598 1.808 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.950 0.773 1.311 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.773 0.260 3.054 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.302 -0.903 3.649 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.529 -1.710 4.338 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -0.545 -2.874 4.946 1.00 0.00 H new ATOM 0 HH TYR A 58 1.515 -4.359 4.944 1.00 0.00 H new ATOM 441 N TYR A 59 1.510 4.011 1.503 1.00 0.00 N ATOM 442 CA TYR A 59 1.667 5.103 0.486 1.00 0.00 C ATOM 443 C TYR A 59 1.815 4.605 -0.999 1.00 0.00 C ATOM 444 O TYR A 59 1.225 5.188 -1.906 1.00 0.00 O ATOM 445 CB TYR A 59 2.794 6.044 1.003 1.00 0.00 C ATOM 446 CG TYR A 59 2.686 6.573 2.450 1.00 0.00 C ATOM 447 CD1 TYR A 59 1.455 6.982 2.977 1.00 0.00 C ATOM 448 CD2 TYR A 59 3.787 6.466 3.300 1.00 0.00 C ATOM 449 CE1 TYR A 59 1.325 7.236 4.335 1.00 0.00 C ATOM 450 CE2 TYR A 59 3.669 6.777 4.647 1.00 0.00 C ATOM 451 CZ TYR A 59 2.440 7.180 5.164 1.00 0.00 C ATOM 452 OH TYR A 59 2.306 7.417 6.504 1.00 0.00 O ATOM 0 H TYR A 59 2.309 3.894 2.126 1.00 0.00 H new ATOM 0 HA TYR A 59 0.742 5.673 0.400 1.00 0.00 H new ATOM 0 HB2 TYR A 59 3.742 5.513 0.911 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.844 6.904 0.335 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.603 7.100 2.324 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.738 6.139 2.907 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.357 7.477 4.748 1.00 0.00 H new ATOM 0 HE2 TYR A 59 4.530 6.707 5.295 1.00 0.00 H new ATOM 0 HH TYR A 59 3.180 7.338 6.939 1.00 0.00 H new ATOM 453 N LYS A 60 2.576 3.527 -1.210 1.00 0.00 N ATOM 454 CA LYS A 60 2.726 2.806 -2.500 1.00 0.00 C ATOM 455 C LYS A 60 3.003 1.341 -2.012 1.00 0.00 C ATOM 456 O LYS A 60 4.089 1.070 -1.488 1.00 0.00 O ATOM 457 CB LYS A 60 3.861 3.388 -3.399 1.00 0.00 C ATOM 458 CG LYS A 60 3.622 4.792 -4.014 1.00 0.00 C ATOM 459 CD LYS A 60 2.543 4.843 -5.126 1.00 0.00 C ATOM 460 CE LYS A 60 1.803 6.185 -5.271 1.00 0.00 C ATOM 461 NZ LYS A 60 2.687 7.300 -5.668 1.00 0.00 N ATOM 0 H LYS A 60 3.131 3.108 -0.464 1.00 0.00 H new ATOM 0 HA LYS A 60 1.857 2.888 -3.153 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.775 3.429 -2.807 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.040 2.687 -4.214 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.334 5.477 -3.217 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.563 5.158 -4.424 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.016 4.604 -6.078 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.808 4.062 -4.931 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.011 6.077 -6.012 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.322 6.431 -4.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.783 7.966 -4.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.624 6.927 -5.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.277 7.793 -6.487 1.00 0.00 H new ATOM 462 N CYS A 61 2.014 0.420 -2.084 1.00 0.00 N ATOM 463 CA CYS A 61 2.117 -0.969 -1.530 1.00 0.00 C ATOM 464 C CYS A 61 3.505 -1.716 -1.717 1.00 0.00 C ATOM 465 O CYS A 61 3.985 -1.774 -2.855 1.00 0.00 O ATOM 466 CB CYS A 61 0.976 -1.804 -2.156 1.00 0.00 C ATOM 467 SG CYS A 61 -0.643 -1.421 -1.449 1.00 0.00 S ATOM 0 H CYS A 61 1.115 0.611 -2.528 1.00 0.00 H new ATOM 0 HA CYS A 61 2.035 -0.867 -0.448 1.00 0.00 H new ATOM 0 HB2 CYS A 61 0.949 -1.626 -3.231 1.00 0.00 H new ATOM 0 HB3 CYS A 61 1.188 -2.864 -2.014 1.00 0.00 H new ATOM 468 N PRO A 62 4.167 -2.282 -0.654 1.00 0.00 N ATOM 469 CA PRO A 62 5.478 -2.985 -0.779 1.00 0.00 C ATOM 470 C PRO A 62 5.669 -4.049 -1.905 1.00 0.00 C ATOM 471 O PRO A 62 4.720 -4.501 -2.546 1.00 0.00 O ATOM 472 CB PRO A 62 5.623 -3.599 0.629 1.00 0.00 C ATOM 473 CG PRO A 62 4.972 -2.583 1.560 1.00 0.00 C ATOM 474 CD PRO A 62 3.776 -2.078 0.757 1.00 0.00 C ATOM 0 HA PRO A 62 6.245 -2.279 -1.098 1.00 0.00 H new ATOM 0 HB2 PRO A 62 5.128 -4.568 0.692 1.00 0.00 H new ATOM 0 HB3 PRO A 62 6.670 -3.758 0.886 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.660 -3.041 2.499 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.657 -1.773 1.812 1.00 0.00 H new ATOM 0 HD2 PRO A 62 2.870 -2.632 1.002 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.573 -1.027 0.965 1.00 0.00 H new ATOM 475 N CYS A 63 6.925 -4.436 -2.151 1.00 0.00 N ATOM 476 CA CYS A 63 7.268 -5.412 -3.214 1.00 0.00 C ATOM 477 C CYS A 63 6.764 -6.872 -2.939 1.00 0.00 C ATOM 478 O CYS A 63 6.693 -7.330 -1.794 1.00 0.00 O ATOM 479 CB CYS A 63 8.800 -5.327 -3.344 1.00 0.00 C ATOM 480 SG CYS A 63 9.326 -3.628 -3.650 1.00 0.00 S ATOM 0 H CYS A 63 7.731 -4.091 -1.630 1.00 0.00 H new ATOM 0 HA CYS A 63 6.758 -5.161 -4.144 1.00 0.00 H new ATOM 0 HB2 CYS A 63 9.268 -5.698 -2.432 1.00 0.00 H new ATOM 0 HB3 CYS A 63 9.136 -5.969 -4.159 1.00 0.00 H new ATOM 481 N GLU A 64 6.393 -7.594 -4.008 1.00 0.00 N ATOM 482 CA GLU A 64 5.822 -8.966 -3.898 1.00 0.00 C ATOM 483 C GLU A 64 6.833 -10.080 -3.424 1.00 0.00 C ATOM 484 O GLU A 64 8.005 -9.824 -3.131 1.00 0.00 O ATOM 485 CB GLU A 64 5.114 -9.218 -5.272 1.00 0.00 C ATOM 486 CG GLU A 64 5.971 -9.436 -6.553 1.00 0.00 C ATOM 487 CD GLU A 64 6.585 -10.825 -6.713 1.00 0.00 C ATOM 488 OE1 GLU A 64 5.966 -11.795 -7.138 1.00 0.00 O ATOM 489 OE2 GLU A 64 7.878 -10.869 -6.300 1.00 0.00 O ATOM 0 H GLU A 64 6.475 -7.257 -4.967 1.00 0.00 H new ATOM 0 HA GLU A 64 5.104 -9.033 -3.081 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.476 -10.094 -5.154 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.457 -8.369 -5.460 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.347 -9.233 -7.424 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.776 -8.701 -6.559 1.00 0.00 H new ATOM 490 N ARG A 65 6.369 -11.342 -3.335 1.00 0.00 N ATOM 491 CA ARG A 65 7.169 -12.483 -2.805 1.00 0.00 C ATOM 492 C ARG A 65 8.472 -12.761 -3.637 1.00 0.00 C ATOM 493 O ARG A 65 8.440 -13.167 -4.804 1.00 0.00 O ATOM 494 CB ARG A 65 6.252 -13.735 -2.729 1.00 0.00 C ATOM 495 CG ARG A 65 5.282 -13.795 -1.521 1.00 0.00 C ATOM 496 CD ARG A 65 4.028 -12.910 -1.647 1.00 0.00 C ATOM 497 NE ARG A 65 3.121 -13.150 -0.498 1.00 0.00 N ATOM 498 CZ ARG A 65 1.993 -12.487 -0.266 1.00 0.00 C ATOM 499 NH1 ARG A 65 1.527 -11.533 -1.031 1.00 0.00 N ATOM 500 NH2 ARG A 65 1.308 -12.807 0.787 1.00 0.00 N ATOM 0 H ARG A 65 5.428 -11.608 -3.627 1.00 0.00 H new ATOM 0 HA ARG A 65 7.524 -12.224 -1.807 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.663 -13.786 -3.645 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.884 -14.623 -2.707 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.966 -14.828 -1.379 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.826 -13.502 -0.623 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.316 -11.859 -1.680 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.511 -13.129 -2.581 1.00 0.00 H new ATOM 0 HE ARG A 65 3.383 -13.880 0.165 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.039 -11.255 -1.869 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.652 -11.067 -0.790 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.640 -13.547 1.406 1.00 0.00 H new ATOM 0 HH22 ARG A 65 0.437 -12.319 0.997 1.00 0.00 H new ATOM 501 N GLY A 66 9.613 -12.503 -2.987 1.00 0.00 N ATOM 502 CA GLY A 66 10.959 -12.566 -3.638 1.00 0.00 C ATOM 503 C GLY A 66 11.693 -11.234 -3.962 1.00 0.00 C ATOM 504 O GLY A 66 12.908 -11.249 -4.167 1.00 0.00 O ATOM 0 H GLY A 66 9.647 -12.245 -2.001 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.611 -13.155 -2.993 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.850 -13.119 -4.571 1.00 0.00 H new ATOM 505 N LEU A 67 10.976 -10.106 -4.050 1.00 0.00 N ATOM 506 CA LEU A 67 11.549 -8.773 -4.390 1.00 0.00 C ATOM 507 C LEU A 67 11.630 -7.827 -3.141 1.00 0.00 C ATOM 508 O LEU A 67 10.835 -7.908 -2.201 1.00 0.00 O ATOM 509 CB LEU A 67 10.659 -8.173 -5.521 1.00 0.00 C ATOM 510 CG LEU A 67 11.064 -8.480 -6.986 1.00 0.00 C ATOM 511 CD1 LEU A 67 11.193 -9.969 -7.340 1.00 0.00 C ATOM 512 CD2 LEU A 67 10.039 -7.838 -7.923 1.00 0.00 C ATOM 0 H LEU A 67 9.969 -10.080 -3.887 1.00 0.00 H new ATOM 0 HA LEU A 67 12.579 -8.879 -4.731 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.639 -8.529 -5.372 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.640 -7.090 -5.396 1.00 0.00 H new ATOM 0 HG LEU A 67 12.064 -8.064 -7.106 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.480 -10.071 -8.387 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.954 -10.428 -6.709 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.237 -10.466 -7.176 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.312 -8.046 -8.958 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.051 -8.250 -7.718 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.023 -6.760 -7.762 1.00 0.00 H new ATOM 513 N THR A 68 12.598 -6.896 -3.156 1.00 0.00 N ATOM 514 CA THR A 68 12.863 -5.964 -2.019 1.00 0.00 C ATOM 515 C THR A 68 12.453 -4.483 -2.314 1.00 0.00 C ATOM 516 O THR A 68 12.402 -4.028 -3.458 1.00 0.00 O ATOM 517 CB THR A 68 14.377 -6.090 -1.636 1.00 0.00 C ATOM 518 OG1 THR A 68 14.509 -5.914 -0.232 1.00 0.00 O ATOM 519 CG2 THR A 68 15.340 -5.069 -2.261 1.00 0.00 C ATOM 0 H THR A 68 13.224 -6.759 -3.949 1.00 0.00 H new ATOM 0 HA THR A 68 12.234 -6.253 -1.177 1.00 0.00 H new ATOM 0 HB THR A 68 14.656 -7.073 -2.017 1.00 0.00 H new ATOM 0 HG1 THR A 68 15.453 -5.992 0.020 1.00 0.00 H new ATOM 0 HG21 THR A 68 16.355 -5.267 -1.915 1.00 0.00 H new ATOM 0 HG22 THR A 68 15.304 -5.153 -3.347 1.00 0.00 H new ATOM 0 HG23 THR A 68 15.045 -4.062 -1.965 1.00 0.00 H new ATOM 520 N CYS A 69 12.240 -3.724 -1.237 1.00 0.00 N ATOM 521 CA CYS A 69 11.979 -2.264 -1.303 1.00 0.00 C ATOM 522 C CYS A 69 13.338 -1.483 -1.207 1.00 0.00 C ATOM 523 O CYS A 69 14.047 -1.629 -0.205 1.00 0.00 O ATOM 524 CB CYS A 69 10.987 -1.984 -0.155 1.00 0.00 C ATOM 525 SG CYS A 69 10.094 -0.441 -0.398 1.00 0.00 S ATOM 0 H CYS A 69 12.241 -4.095 -0.287 1.00 0.00 H new ATOM 0 HA CYS A 69 11.539 -1.927 -2.242 1.00 0.00 H new ATOM 0 HB2 CYS A 69 10.276 -2.807 -0.081 1.00 0.00 H new ATOM 0 HB3 CYS A 69 11.528 -1.945 0.790 1.00 0.00 H new ATOM 526 N GLU A 70 13.725 -0.671 -2.208 1.00 0.00 N ATOM 527 CA GLU A 70 15.065 0.002 -2.207 1.00 0.00 C ATOM 528 C GLU A 70 14.980 1.478 -1.644 1.00 0.00 C ATOM 529 O GLU A 70 14.341 1.691 -0.610 1.00 0.00 O ATOM 530 CB GLU A 70 15.601 -0.203 -3.659 1.00 0.00 C ATOM 531 CG GLU A 70 17.117 0.064 -3.875 1.00 0.00 C ATOM 532 CD GLU A 70 17.418 0.938 -5.086 1.00 0.00 C ATOM 533 OE1 GLU A 70 17.076 2.234 -4.862 1.00 0.00 O ATOM 534 OE2 GLU A 70 17.890 0.528 -6.138 1.00 0.00 O ATOM 0 H GLU A 70 13.149 -0.458 -3.022 1.00 0.00 H new ATOM 0 HA GLU A 70 15.792 -0.423 -1.515 1.00 0.00 H new ATOM 0 HB2 GLU A 70 15.387 -1.228 -3.962 1.00 0.00 H new ATOM 0 HB3 GLU A 70 15.039 0.450 -4.327 1.00 0.00 H new ATOM 0 HG2 GLU A 70 17.524 0.541 -2.983 1.00 0.00 H new ATOM 0 HG3 GLU A 70 17.632 -0.890 -3.989 1.00 0.00 H new ATOM 535 N GLY A 71 15.603 2.506 -2.257 1.00 0.00 N ATOM 536 CA GLY A 71 15.611 3.884 -1.674 1.00 0.00 C ATOM 537 C GLY A 71 16.213 5.018 -2.530 1.00 0.00 C ATOM 538 O GLY A 71 17.240 5.586 -2.163 1.00 0.00 O ATOM 0 H GLY A 71 16.103 2.421 -3.142 1.00 0.00 H new ATOM 0 HA2 GLY A 71 14.582 4.154 -1.435 1.00 0.00 H new ATOM 0 HA3 GLY A 71 16.158 3.847 -0.732 1.00 0.00 H new ATOM 539 N ASP A 72 15.549 5.390 -3.633 1.00 0.00 N ATOM 540 CA ASP A 72 15.917 6.592 -4.448 1.00 0.00 C ATOM 541 C ASP A 72 14.907 7.803 -4.330 1.00 0.00 C ATOM 542 O ASP A 72 14.800 8.596 -5.269 1.00 0.00 O ATOM 543 CB ASP A 72 16.042 6.084 -5.916 1.00 0.00 C ATOM 544 CG ASP A 72 17.287 5.273 -6.259 1.00 0.00 C ATOM 545 OD1 ASP A 72 18.431 5.991 -6.108 1.00 0.00 O ATOM 546 OD2 ASP A 72 17.258 4.110 -6.646 1.00 0.00 O ATOM 0 H ASP A 72 14.744 4.880 -3.997 1.00 0.00 H new ATOM 0 HA ASP A 72 16.850 7.013 -4.073 1.00 0.00 H new ATOM 0 HB2 ASP A 72 15.167 5.474 -6.140 1.00 0.00 H new ATOM 0 HB3 ASP A 72 16.006 6.949 -6.579 1.00 0.00 H new ATOM 547 N LYS A 73 14.174 7.975 -3.206 1.00 0.00 N ATOM 548 CA LYS A 73 13.101 9.016 -3.007 1.00 0.00 C ATOM 549 C LYS A 73 11.793 8.843 -3.871 1.00 0.00 C ATOM 550 O LYS A 73 10.696 9.012 -3.337 1.00 0.00 O ATOM 551 CB LYS A 73 13.658 10.470 -3.073 1.00 0.00 C ATOM 552 CG LYS A 73 14.623 10.858 -1.925 1.00 0.00 C ATOM 553 CD LYS A 73 15.092 12.328 -1.953 1.00 0.00 C ATOM 554 CE LYS A 73 16.061 12.650 -3.103 1.00 0.00 C ATOM 555 NZ LYS A 73 16.502 14.054 -3.004 1.00 0.00 N ATOM 0 H LYS A 73 14.304 7.387 -2.383 1.00 0.00 H new ATOM 0 HA LYS A 73 12.763 8.828 -1.988 1.00 0.00 H new ATOM 0 HB2 LYS A 73 14.177 10.601 -4.023 1.00 0.00 H new ATOM 0 HB3 LYS A 73 12.818 11.165 -3.071 1.00 0.00 H new ATOM 0 HG2 LYS A 73 14.130 10.665 -0.972 1.00 0.00 H new ATOM 0 HG3 LYS A 73 15.498 10.210 -1.968 1.00 0.00 H new ATOM 0 HD2 LYS A 73 14.219 12.976 -2.034 1.00 0.00 H new ATOM 0 HD3 LYS A 73 15.577 12.563 -1.005 1.00 0.00 H new ATOM 0 HE2 LYS A 73 16.923 11.984 -3.062 1.00 0.00 H new ATOM 0 HE3 LYS A 73 15.572 12.479 -4.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 17.157 14.268 -3.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 15.676 14.683 -3.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 16.985 14.203 -2.095 1.00 0.00 H new ATOM 556 N SER A 74 11.896 8.527 -5.175 1.00 0.00 N ATOM 557 CA SER A 74 10.750 8.221 -6.095 1.00 0.00 C ATOM 558 C SER A 74 9.707 9.376 -6.339 1.00 0.00 C ATOM 559 O SER A 74 8.492 9.168 -6.324 1.00 0.00 O ATOM 560 CB SER A 74 10.112 6.860 -5.692 1.00 0.00 C ATOM 561 OG SER A 74 11.051 5.786 -5.830 1.00 0.00 O ATOM 0 H SER A 74 12.799 8.472 -5.646 1.00 0.00 H new ATOM 0 HA SER A 74 11.180 8.134 -7.093 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.762 6.911 -4.661 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.239 6.666 -6.315 1.00 0.00 H new ATOM 0 HG SER A 74 10.652 4.957 -5.492 1.00 0.00 H new ATOM 562 N LEU A 75 10.200 10.580 -6.687 1.00 0.00 N ATOM 563 CA LEU A 75 9.330 11.738 -7.073 1.00 0.00 C ATOM 564 C LEU A 75 8.717 11.663 -8.527 1.00 0.00 C ATOM 565 O LEU A 75 7.652 12.239 -8.765 1.00 0.00 O ATOM 566 CB LEU A 75 10.188 13.021 -6.852 1.00 0.00 C ATOM 567 CG LEU A 75 9.479 14.392 -7.030 1.00 0.00 C ATOM 568 CD1 LEU A 75 8.367 14.629 -5.994 1.00 0.00 C ATOM 569 CD2 LEU A 75 10.503 15.534 -6.929 1.00 0.00 C ATOM 0 H LEU A 75 11.198 10.789 -6.713 1.00 0.00 H new ATOM 0 HA LEU A 75 8.438 11.735 -6.447 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.599 12.982 -5.843 1.00 0.00 H new ATOM 0 HB3 LEU A 75 11.032 12.986 -7.541 1.00 0.00 H new ATOM 0 HG LEU A 75 9.017 14.375 -8.017 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.908 15.602 -6.169 1.00 0.00 H new ATOM 0 HD12 LEU A 75 7.611 13.850 -6.087 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.793 14.603 -4.991 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.995 16.490 -7.055 1.00 0.00 H new ATOM 0 HD22 LEU A 75 10.985 15.505 -5.952 1.00 0.00 H new ATOM 0 HD23 LEU A 75 11.256 15.417 -7.708 1.00 0.00 H new ATOM 570 N VAL A 76 9.351 10.968 -9.496 1.00 0.00 N ATOM 571 CA VAL A 76 8.812 10.754 -10.879 1.00 0.00 C ATOM 572 C VAL A 76 7.612 9.724 -10.905 1.00 0.00 C ATOM 573 O VAL A 76 7.698 8.577 -11.350 1.00 0.00 O ATOM 574 CB VAL A 76 10.045 10.424 -11.798 1.00 0.00 C ATOM 575 CG1 VAL A 76 10.769 9.075 -11.554 1.00 0.00 C ATOM 576 CG2 VAL A 76 9.701 10.524 -13.299 1.00 0.00 C ATOM 0 H VAL A 76 10.261 10.531 -9.350 1.00 0.00 H new ATOM 0 HA VAL A 76 8.333 11.648 -11.279 1.00 0.00 H new ATOM 0 HB VAL A 76 10.749 11.200 -11.497 1.00 0.00 H new ATOM 0 HG11 VAL A 76 11.598 8.975 -12.255 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.151 9.046 -10.533 1.00 0.00 H new ATOM 0 HG13 VAL A 76 10.068 8.254 -11.702 1.00 0.00 H new ATOM 0 HG21 VAL A 76 10.585 10.287 -13.891 1.00 0.00 H new ATOM 0 HG22 VAL A 76 8.905 9.819 -13.538 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.370 11.537 -13.530 1.00 0.00 H new ATOM 577 N GLY A 77 6.465 10.209 -10.417 1.00 0.00 N ATOM 578 CA GLY A 77 5.224 9.404 -10.213 1.00 0.00 C ATOM 579 C GLY A 77 4.599 9.430 -8.787 1.00 0.00 C ATOM 580 O GLY A 77 3.950 8.454 -8.408 1.00 0.00 O ATOM 0 H GLY A 77 6.356 11.186 -10.144 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.472 9.753 -10.920 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.445 8.368 -10.469 1.00 0.00 H new ATOM 581 N SER A 78 4.756 10.522 -8.020 1.00 0.00 N ATOM 582 CA SER A 78 4.235 10.659 -6.630 1.00 0.00 C ATOM 583 C SER A 78 3.934 12.160 -6.298 1.00 0.00 C ATOM 584 O SER A 78 4.662 13.065 -6.720 1.00 0.00 O ATOM 585 CB SER A 78 5.290 10.091 -5.646 1.00 0.00 C ATOM 586 OG SER A 78 4.802 10.103 -4.301 1.00 0.00 O ATOM 0 H SER A 78 5.254 11.351 -8.343 1.00 0.00 H new ATOM 0 HA SER A 78 3.303 10.103 -6.534 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.547 9.072 -5.933 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.205 10.681 -5.709 1.00 0.00 H new ATOM 0 HG SER A 78 5.257 10.808 -3.794 1.00 0.00 H new ATOM 587 N ILE A 79 2.870 12.432 -5.519 1.00 0.00 N ATOM 588 CA ILE A 79 2.560 13.823 -5.037 1.00 0.00 C ATOM 589 C ILE A 79 3.515 14.243 -3.861 1.00 0.00 C ATOM 590 O ILE A 79 4.296 15.187 -4.015 1.00 0.00 O ATOM 591 CB ILE A 79 1.011 14.007 -4.789 1.00 0.00 C ATOM 592 CG1 ILE A 79 0.614 15.422 -4.277 1.00 0.00 C ATOM 593 CG2 ILE A 79 0.351 12.995 -3.816 1.00 0.00 C ATOM 594 CD1 ILE A 79 1.093 16.594 -5.147 1.00 0.00 C ATOM 0 H ILE A 79 2.206 11.725 -5.203 1.00 0.00 H new ATOM 0 HA ILE A 79 2.784 14.547 -5.820 1.00 0.00 H new ATOM 0 HB ILE A 79 0.633 13.830 -5.796 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.472 15.470 -4.198 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.013 15.551 -3.271 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.712 13.219 -3.724 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.476 11.984 -4.203 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.824 13.070 -2.837 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.765 17.534 -4.704 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.181 16.582 -5.207 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.673 16.499 -6.148 1.00 0.00 H new ATOM 595 N THR A 80 3.460 13.567 -2.704 1.00 0.00 N ATOM 596 CA THR A 80 4.425 13.804 -1.586 1.00 0.00 C ATOM 597 C THR A 80 5.679 12.870 -1.729 1.00 0.00 C ATOM 598 O THR A 80 5.733 11.919 -2.518 1.00 0.00 O ATOM 599 CB THR A 80 3.757 13.684 -0.179 1.00 0.00 C ATOM 600 OG1 THR A 80 3.238 12.384 0.041 1.00 0.00 O ATOM 601 CG2 THR A 80 2.626 14.688 0.060 1.00 0.00 C ATOM 0 H THR A 80 2.763 12.849 -2.505 1.00 0.00 H new ATOM 0 HA THR A 80 4.766 14.836 -1.663 1.00 0.00 H new ATOM 0 HB THR A 80 4.562 13.904 0.522 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.278 12.377 -0.156 1.00 0.00 H new ATOM 0 HG21 THR A 80 2.214 14.541 1.058 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.016 15.702 -0.026 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.842 14.537 -0.682 1.00 0.00 H new ATOM 602 N ASN A 81 6.729 13.194 -0.963 1.00 0.00 N ATOM 603 CA ASN A 81 8.048 12.515 -1.045 1.00 0.00 C ATOM 604 C ASN A 81 8.694 12.463 0.378 1.00 0.00 C ATOM 605 O ASN A 81 9.401 13.393 0.782 1.00 0.00 O ATOM 606 CB ASN A 81 8.839 13.337 -2.103 1.00 0.00 C ATOM 607 CG ASN A 81 10.230 12.825 -2.468 1.00 0.00 C ATOM 608 OD1 ASN A 81 10.436 12.127 -3.450 1.00 0.00 O ATOM 609 ND2 ASN A 81 11.236 13.167 -1.708 1.00 0.00 N ATOM 0 H ASN A 81 6.697 13.936 -0.264 1.00 0.00 H new ATOM 0 HA ASN A 81 8.011 11.471 -1.358 1.00 0.00 H new ATOM 0 HB2 ASN A 81 8.243 13.382 -3.014 1.00 0.00 H new ATOM 0 HB3 ASN A 81 8.938 14.359 -1.736 1.00 0.00 H new ATOM 0 HD21 ASN A 81 12.179 12.852 -1.937 1.00 0.00 H new ATOM 0 HD22 ASN A 81 11.079 13.749 -0.885 1.00 0.00 H new ATOM 610 N THR A 82 8.453 11.382 1.135 1.00 0.00 N ATOM 611 CA THR A 82 9.022 11.216 2.515 1.00 0.00 C ATOM 612 C THR A 82 10.283 10.288 2.465 1.00 0.00 C ATOM 613 O THR A 82 11.411 10.786 2.435 1.00 0.00 O ATOM 614 CB THR A 82 7.919 10.772 3.538 1.00 0.00 C ATOM 615 OG1 THR A 82 7.294 9.552 3.150 1.00 0.00 O ATOM 616 CG2 THR A 82 6.785 11.789 3.731 1.00 0.00 C ATOM 0 H THR A 82 7.871 10.601 0.831 1.00 0.00 H new ATOM 0 HA THR A 82 9.370 12.178 2.890 1.00 0.00 H new ATOM 0 HB THR A 82 8.473 10.668 4.471 1.00 0.00 H new ATOM 0 HG1 THR A 82 6.935 9.643 2.243 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.068 11.401 4.454 1.00 0.00 H new ATOM 0 HG22 THR A 82 7.198 12.729 4.098 1.00 0.00 H new ATOM 0 HG23 THR A 82 6.284 11.960 2.778 1.00 0.00 H new ATOM 617 N ASN A 83 10.117 8.956 2.456 1.00 0.00 N ATOM 618 CA ASN A 83 11.238 7.991 2.292 1.00 0.00 C ATOM 619 C ASN A 83 10.729 6.771 1.457 1.00 0.00 C ATOM 620 O ASN A 83 10.324 5.735 1.995 1.00 0.00 O ATOM 621 CB ASN A 83 11.804 7.639 3.698 1.00 0.00 C ATOM 622 CG ASN A 83 13.094 6.820 3.694 1.00 0.00 C ATOM 623 OD1 ASN A 83 13.121 5.644 4.030 1.00 0.00 O ATOM 624 ND2 ASN A 83 14.210 7.399 3.326 1.00 0.00 N ATOM 0 H ASN A 83 9.206 8.509 2.561 1.00 0.00 H new ATOM 0 HA ASN A 83 12.074 8.410 1.731 1.00 0.00 H new ATOM 0 HB2 ASN A 83 11.983 8.566 4.242 1.00 0.00 H new ATOM 0 HB3 ASN A 83 11.044 7.087 4.250 1.00 0.00 H new ATOM 0 HD21 ASN A 83 15.082 6.870 3.323 1.00 0.00 H new ATOM 0 HD22 ASN A 83 14.207 8.379 3.043 1.00 0.00 H new ATOM 625 N PHE A 84 10.724 6.927 0.123 1.00 0.00 N ATOM 626 CA PHE A 84 10.244 5.874 -0.816 1.00 0.00 C ATOM 627 C PHE A 84 11.434 5.319 -1.676 1.00 0.00 C ATOM 628 O PHE A 84 12.517 5.906 -1.789 1.00 0.00 O ATOM 629 CB PHE A 84 9.081 6.442 -1.696 1.00 0.00 C ATOM 630 CG PHE A 84 7.859 7.148 -1.056 1.00 0.00 C ATOM 631 CD1 PHE A 84 7.409 6.847 0.236 1.00 0.00 C ATOM 632 CD2 PHE A 84 7.181 8.124 -1.798 1.00 0.00 C ATOM 633 CE1 PHE A 84 6.333 7.533 0.785 1.00 0.00 C ATOM 634 CE2 PHE A 84 6.081 8.785 -1.255 1.00 0.00 C ATOM 635 CZ PHE A 84 5.661 8.491 0.038 1.00 0.00 C ATOM 0 H PHE A 84 11.048 7.775 -0.342 1.00 0.00 H new ATOM 0 HA PHE A 84 9.847 5.031 -0.251 1.00 0.00 H new ATOM 0 HB2 PHE A 84 9.527 7.150 -2.394 1.00 0.00 H new ATOM 0 HB3 PHE A 84 8.695 5.612 -2.287 1.00 0.00 H new ATOM 0 HD1 PHE A 84 7.902 6.076 0.809 1.00 0.00 H new ATOM 0 HD2 PHE A 84 7.513 8.366 -2.797 1.00 0.00 H new ATOM 0 HE1 PHE A 84 6.018 7.320 1.796 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.554 9.526 -1.838 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.812 9.008 0.461 1.00 0.00 H new ATOM 636 N GLY A 85 11.221 4.151 -2.284 1.00 0.00 N ATOM 637 CA GLY A 85 12.227 3.483 -3.139 1.00 0.00 C ATOM 638 C GLY A 85 11.657 2.837 -4.408 1.00 0.00 C ATOM 639 O GLY A 85 10.629 3.252 -4.944 1.00 0.00 O ATOM 0 H GLY A 85 10.346 3.633 -2.203 1.00 0.00 H new ATOM 0 HA2 GLY A 85 12.983 4.214 -3.427 1.00 0.00 H new ATOM 0 HA3 GLY A 85 12.732 2.716 -2.552 1.00 0.00 H new ATOM 640 N ILE A 86 12.383 1.840 -4.912 1.00 0.00 N ATOM 641 CA ILE A 86 12.008 1.078 -6.142 1.00 0.00 C ATOM 642 C ILE A 86 12.065 -0.456 -5.814 1.00 0.00 C ATOM 643 O ILE A 86 12.954 -0.932 -5.100 1.00 0.00 O ATOM 644 CB ILE A 86 12.971 1.456 -7.335 1.00 0.00 C ATOM 645 CG1 ILE A 86 13.012 2.969 -7.715 1.00 0.00 C ATOM 646 CG2 ILE A 86 12.628 0.672 -8.628 1.00 0.00 C ATOM 647 CD1 ILE A 86 11.713 3.556 -8.299 1.00 0.00 C ATOM 0 H ILE A 86 13.256 1.523 -4.490 1.00 0.00 H new ATOM 0 HA ILE A 86 10.996 1.335 -6.454 1.00 0.00 H new ATOM 0 HB ILE A 86 13.951 1.183 -6.943 1.00 0.00 H new ATOM 0 HG12 ILE A 86 13.276 3.539 -6.825 1.00 0.00 H new ATOM 0 HG13 ILE A 86 13.813 3.119 -8.439 1.00 0.00 H new ATOM 0 HG21 ILE A 86 13.315 0.963 -9.423 1.00 0.00 H new ATOM 0 HG22 ILE A 86 12.722 -0.398 -8.441 1.00 0.00 H new ATOM 0 HG23 ILE A 86 11.606 0.899 -8.931 1.00 0.00 H new ATOM 0 HD11 ILE A 86 11.860 4.612 -8.525 1.00 0.00 H new ATOM 0 HD12 ILE A 86 11.451 3.023 -9.213 1.00 0.00 H new ATOM 0 HD13 ILE A 86 10.907 3.449 -7.573 1.00 0.00 H new ATOM 648 N CYS A 87 11.137 -1.249 -6.366 1.00 0.00 N ATOM 649 CA CYS A 87 11.174 -2.729 -6.243 1.00 0.00 C ATOM 650 C CYS A 87 12.326 -3.383 -7.074 1.00 0.00 C ATOM 651 O CYS A 87 12.469 -3.091 -8.264 1.00 0.00 O ATOM 652 CB CYS A 87 9.793 -3.221 -6.700 1.00 0.00 C ATOM 653 SG CYS A 87 8.591 -2.961 -5.391 1.00 0.00 S ATOM 0 H CYS A 87 10.346 -0.898 -6.905 1.00 0.00 H new ATOM 0 HA CYS A 87 11.386 -3.020 -5.214 1.00 0.00 H new ATOM 0 HB2 CYS A 87 9.486 -2.687 -7.599 1.00 0.00 H new ATOM 0 HB3 CYS A 87 9.841 -4.279 -6.958 1.00 0.00 H new ATOM 654 N HIS A 88 13.152 -4.260 -6.473 1.00 0.00 N ATOM 655 CA HIS A 88 14.224 -4.983 -7.213 1.00 0.00 C ATOM 656 C HIS A 88 14.344 -6.465 -6.737 1.00 0.00 C ATOM 657 O HIS A 88 14.009 -6.842 -5.612 1.00 0.00 O ATOM 658 CB HIS A 88 15.566 -4.229 -7.060 1.00 0.00 C ATOM 659 CG HIS A 88 15.728 -3.018 -7.981 1.00 0.00 C ATOM 660 ND1 HIS A 88 16.121 -3.153 -9.306 1.00 0.00 N ATOM 661 CD2 HIS A 88 15.404 -1.681 -7.693 1.00 0.00 C ATOM 662 CE1 HIS A 88 16.010 -1.845 -9.705 1.00 0.00 C ATOM 663 NE2 HIS A 88 15.616 -0.892 -8.809 1.00 0.00 N ATOM 0 H HIS A 88 13.104 -4.490 -5.480 1.00 0.00 H new ATOM 0 HA HIS A 88 13.960 -5.011 -8.270 1.00 0.00 H new ATOM 0 HB2 HIS A 88 15.665 -3.898 -6.026 1.00 0.00 H new ATOM 0 HB3 HIS A 88 16.382 -4.926 -7.251 1.00 0.00 H new ATOM 0 HD2 HIS A 88 15.043 -1.323 -6.740 1.00 0.00 H new ATOM 0 HE1 HIS A 88 16.234 -1.569 -10.725 1.00 0.00 H new ATOM 0 HE2 HIS A 88 15.509 0.115 -8.929 1.00 0.00 H new ATOM 664 N ASN A 89 14.877 -7.310 -7.625 1.00 0.00 N ATOM 665 CA ASN A 89 14.999 -8.773 -7.393 1.00 0.00 C ATOM 666 C ASN A 89 16.415 -9.125 -6.835 1.00 0.00 C ATOM 667 O ASN A 89 17.455 -8.759 -7.392 1.00 0.00 O ATOM 668 CB ASN A 89 14.719 -9.432 -8.763 1.00 0.00 C ATOM 669 CG ASN A 89 14.555 -10.954 -8.790 1.00 0.00 C ATOM 670 OD1 ASN A 89 15.097 -11.704 -7.989 1.00 0.00 O ATOM 671 ND2 ASN A 89 13.843 -11.473 -9.754 1.00 0.00 N ATOM 0 H ASN A 89 15.240 -7.009 -8.530 1.00 0.00 H new ATOM 0 HA ASN A 89 14.296 -9.137 -6.644 1.00 0.00 H new ATOM 0 HB2 ASN A 89 13.811 -8.988 -9.172 1.00 0.00 H new ATOM 0 HB3 ASN A 89 15.534 -9.169 -9.437 1.00 0.00 H new ATOM 0 HD21 ASN A 89 13.747 -12.486 -9.829 1.00 0.00 H new ATOM 0 HD22 ASN A 89 13.383 -10.866 -10.432 1.00 0.00 H new ATOM 672 N VAL A 90 16.420 -9.864 -5.730 1.00 0.00 N ATOM 673 CA VAL A 90 17.649 -10.222 -4.966 1.00 0.00 C ATOM 674 C VAL A 90 18.156 -11.702 -5.179 1.00 0.00 C ATOM 675 O VAL A 90 18.634 -12.360 -4.249 1.00 0.00 O ATOM 676 CB VAL A 90 17.353 -9.862 -3.467 1.00 0.00 C ATOM 677 CG1 VAL A 90 17.338 -8.341 -3.182 1.00 0.00 C ATOM 678 CG2 VAL A 90 16.110 -10.510 -2.804 1.00 0.00 C ATOM 0 H VAL A 90 15.567 -10.245 -5.320 1.00 0.00 H new ATOM 0 HA VAL A 90 18.496 -9.649 -5.343 1.00 0.00 H new ATOM 0 HB VAL A 90 18.216 -10.327 -2.991 1.00 0.00 H new ATOM 0 HG11 VAL A 90 17.127 -8.171 -2.126 1.00 0.00 H new ATOM 0 HG12 VAL A 90 18.310 -7.914 -3.431 1.00 0.00 H new ATOM 0 HG13 VAL A 90 16.567 -7.865 -3.787 1.00 0.00 H new ATOM 0 HG21 VAL A 90 16.031 -10.171 -1.771 1.00 0.00 H new ATOM 0 HG22 VAL A 90 15.213 -10.220 -3.351 1.00 0.00 H new ATOM 0 HG23 VAL A 90 16.211 -11.595 -2.823 1.00 0.00 H new ATOM 679 N GLY A 91 18.109 -12.217 -6.419 1.00 0.00 N ATOM 680 CA GLY A 91 18.572 -13.596 -6.753 1.00 0.00 C ATOM 681 C GLY A 91 17.575 -14.742 -6.478 1.00 0.00 C ATOM 682 O GLY A 91 17.065 -15.373 -7.406 1.00 0.00 O ATOM 0 H GLY A 91 17.752 -11.700 -7.223 1.00 0.00 H new ATOM 0 HA2 GLY A 91 18.837 -13.620 -7.810 1.00 0.00 H new ATOM 0 HA3 GLY A 91 19.484 -13.795 -6.191 1.00 0.00 H new ATOM 683 N ARG A 92 17.322 -15.019 -5.194 1.00 0.00 N ATOM 684 CA ARG A 92 16.387 -16.099 -4.765 1.00 0.00 C ATOM 685 C ARG A 92 14.902 -15.590 -4.684 1.00 0.00 C ATOM 686 O ARG A 92 14.381 -15.267 -3.612 1.00 0.00 O ATOM 687 CB ARG A 92 16.964 -16.657 -3.433 1.00 0.00 C ATOM 688 CG ARG A 92 16.283 -17.950 -2.923 1.00 0.00 C ATOM 689 CD ARG A 92 16.929 -18.475 -1.631 1.00 0.00 C ATOM 690 NE ARG A 92 16.220 -19.700 -1.184 1.00 0.00 N ATOM 691 CZ ARG A 92 16.512 -20.393 -0.090 1.00 0.00 C ATOM 692 NH1 ARG A 92 17.484 -20.094 0.734 1.00 0.00 N ATOM 693 NH2 ARG A 92 15.788 -21.434 0.181 1.00 0.00 N ATOM 0 H ARG A 92 17.749 -14.513 -4.418 1.00 0.00 H new ATOM 0 HA ARG A 92 16.325 -16.908 -5.493 1.00 0.00 H new ATOM 0 HB2 ARG A 92 18.028 -16.852 -3.568 1.00 0.00 H new ATOM 0 HB3 ARG A 92 16.875 -15.889 -2.665 1.00 0.00 H new ATOM 0 HG2 ARG A 92 15.225 -17.756 -2.746 1.00 0.00 H new ATOM 0 HG3 ARG A 92 16.341 -18.718 -3.694 1.00 0.00 H new ATOM 0 HD2 ARG A 92 17.983 -18.694 -1.802 1.00 0.00 H new ATOM 0 HD3 ARG A 92 16.884 -17.712 -0.854 1.00 0.00 H new ATOM 0 HE ARG A 92 15.449 -20.035 -1.762 1.00 0.00 H new ATOM 0 HH11 ARG A 92 18.074 -19.282 0.553 1.00 0.00 H new ATOM 0 HH12 ARG A 92 17.651 -20.673 1.557 1.00 0.00 H new ATOM 0 HH21 ARG A 92 15.022 -21.698 -0.439 1.00 0.00 H new ATOM 0 HH22 ARG A 92 15.985 -21.989 1.014 1.00 0.00 H new ATOM 694 N SER A 93 14.224 -15.539 -5.844 1.00 0.00 N ATOM 695 CA SER A 93 12.815 -15.068 -5.943 1.00 0.00 C ATOM 696 C SER A 93 11.872 -16.201 -6.437 1.00 0.00 C ATOM 697 O SER A 93 11.405 -16.281 -7.573 1.00 0.00 O ATOM 698 CB SER A 93 12.819 -13.817 -6.854 1.00 0.00 C ATOM 699 OG SER A 93 11.492 -13.346 -7.104 1.00 0.00 O ATOM 0 H SER A 93 14.626 -15.819 -6.738 1.00 0.00 H new ATOM 0 HA SER A 93 12.417 -14.793 -4.966 1.00 0.00 H new ATOM 0 HB2 SER A 93 13.405 -13.026 -6.385 1.00 0.00 H new ATOM 0 HB3 SER A 93 13.306 -14.056 -7.800 1.00 0.00 H new ATOM 0 HG SER A 93 11.515 -12.659 -7.803 1.00 0.00 H new TER 700 SER A 93 HETATM 701 O OH A 94 11.575 -17.101 -5.458 1.00 0.00 O