USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 660 hydrogens (21 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 77 ASN : amide:sc= -1.73 K(o=-2.7,f=-7.8!) USER MOD Set 1.2: A 79 GLN : amide:sc= -0.974 K(o=-2.7,f=-3.8) USER MOD Set 2.1: A 28 ASN : amide:sc= -5.81! C(o=-12!,f=-14!) USER MOD Set 2.2: A 64 ASN :FLIP amide:sc= -5.7! C(o=-14!,f=-12!) USER MOD Single : A 1 LEU N :NH3+ -175:sc= 0 (180deg=-0.0192) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 59:sc= -0.503 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.843 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -156:sc= -0.0642 (180deg=-0.395) USER MOD Single : A 13 SER OG : rot 41:sc= 1.26 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -6.37! C(o=-6.4!,f=-16!) USER MOD Single : A 17 SER OG : rot 62:sc= 0.14 USER MOD Single : A 22 LYS NZ :NH3+ 155:sc= 0.107 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -4.09! X(o=-4.1!,f=-3.6) USER MOD Single : A 25 MET CE :methyl 179:sc= 0 (180deg=-0.000855) USER MOD Single : A 26 ASN : amide:sc= -0.013 X(o=-0.013,f=-0.012) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -40:sc= 0.686 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.271 X(o=-0.27,f=-0.57) USER MOD Single : A 54 THR OG1 : rot 180:sc=-0.00339 USER MOD Single : A 56 SER OG : rot 180:sc= -0.0192 USER MOD Single : A 58 GLN : amide:sc= -0.767 X(o=-0.77,f=-0.31) USER MOD Single : A 62 LYS NZ :NH3+ 134:sc= -0.84 (180deg=-3.63!) USER MOD Single : A 65 THR OG1 : rot -136:sc= -0.464 USER MOD Single : A 67 GLN : amide:sc= 0.0643 X(o=0.064,f=-0.0093) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -3.81 K(o=-3.8,f=-5.3!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 PNS O33 : rot -101:sc=-0.00779 USER MOD Single : A 137 PNS S44 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 0.624 -0.731 -2.308 1.00 0.00 N ATOM 2 CA LEU A 1 1.667 -0.002 -1.596 1.00 0.00 C ATOM 3 C LEU A 1 1.793 1.423 -2.125 1.00 0.00 C ATOM 4 O LEU A 1 2.784 1.774 -2.766 1.00 0.00 O ATOM 5 CB LEU A 1 3.007 -0.728 -1.729 1.00 0.00 C ATOM 6 CG LEU A 1 3.148 -2.027 -0.934 1.00 0.00 C ATOM 7 CD1 LEU A 1 4.393 -2.785 -1.368 1.00 0.00 C ATOM 8 CD2 LEU A 1 3.192 -1.736 0.559 1.00 0.00 C ATOM 0 H1 LEU A 1 0.498 -1.668 -1.875 1.00 0.00 H new ATOM 0 H2 LEU A 1 -0.269 -0.202 -2.252 1.00 0.00 H new ATOM 0 H3 LEU A 1 0.898 -0.844 -3.305 1.00 0.00 H new ATOM 0 HA LEU A 1 1.389 0.044 -0.543 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.174 -0.950 -2.783 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.799 -0.047 -1.418 1.00 0.00 H new ATOM 0 HG LEU A 1 2.278 -2.651 -1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 1 4.477 -3.706 -0.792 1.00 0.00 H new ATOM 0 HD12 LEU A 1 4.321 -3.026 -2.429 1.00 0.00 H new ATOM 0 HD13 LEU A 1 5.274 -2.167 -1.195 1.00 0.00 H new ATOM 0 HD21 LEU A 1 3.293 -2.672 1.109 1.00 0.00 H new ATOM 0 HD22 LEU A 1 4.044 -1.092 0.779 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.271 -1.236 0.859 1.00 0.00 H new ATOM 20 N LYS A 2 0.784 2.242 -1.851 1.00 0.00 N ATOM 21 CA LYS A 2 0.782 3.631 -2.296 1.00 0.00 C ATOM 22 C LYS A 2 0.847 4.583 -1.106 1.00 0.00 C ATOM 23 O LYS A 2 1.694 5.474 -1.058 1.00 0.00 O ATOM 24 CB LYS A 2 -0.471 3.920 -3.126 1.00 0.00 C ATOM 25 CG LYS A 2 -0.513 5.329 -3.692 1.00 0.00 C ATOM 26 CD LYS A 2 -1.938 5.847 -3.793 1.00 0.00 C ATOM 27 CE LYS A 2 -1.981 7.253 -4.370 1.00 0.00 C ATOM 28 NZ LYS A 2 -3.076 8.065 -3.771 1.00 0.00 N ATOM 0 H LYS A 2 -0.044 1.968 -1.322 1.00 0.00 H new ATOM 0 HA LYS A 2 1.665 3.790 -2.915 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -0.525 3.206 -3.947 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -1.353 3.760 -2.505 1.00 0.00 H new ATOM 0 HG2 LYS A 2 0.073 5.994 -3.058 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -0.050 5.340 -4.679 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -2.526 5.177 -4.420 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -2.398 5.844 -2.805 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -1.025 7.747 -4.195 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -2.118 7.198 -5.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -3.072 9.017 -4.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -3.991 7.607 -3.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -2.931 8.139 -2.744 1.00 0.00 H new ATOM 42 N SER A 3 -0.053 4.388 -0.147 1.00 0.00 N ATOM 43 CA SER A 3 -0.099 5.231 1.042 1.00 0.00 C ATOM 44 C SER A 3 -1.098 4.685 2.057 1.00 0.00 C ATOM 45 O SER A 3 -1.665 3.607 1.871 1.00 0.00 O ATOM 46 CB SER A 3 -0.473 6.665 0.662 1.00 0.00 C ATOM 47 OG SER A 3 0.602 7.555 0.908 1.00 0.00 O ATOM 0 H SER A 3 -0.760 3.653 -0.170 1.00 0.00 H new ATOM 0 HA SER A 3 0.892 5.230 1.497 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.748 6.705 -0.392 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.347 6.979 1.232 1.00 0.00 H new ATOM 0 HG SER A 3 1.387 7.269 0.395 1.00 0.00 H new ATOM 53 N THR A 4 -1.310 5.437 3.133 1.00 0.00 N ATOM 54 CA THR A 4 -2.240 5.029 4.179 1.00 0.00 C ATOM 55 C THR A 4 -3.632 4.778 3.610 1.00 0.00 C ATOM 56 O THR A 4 -4.431 4.049 4.198 1.00 0.00 O ATOM 57 CB THR A 4 -2.335 6.092 5.290 1.00 0.00 C ATOM 58 OG1 THR A 4 -3.277 5.676 6.286 1.00 0.00 O ATOM 59 CG2 THR A 4 -2.756 7.437 4.718 1.00 0.00 C ATOM 0 H THR A 4 -0.850 6.332 3.303 1.00 0.00 H new ATOM 0 HA THR A 4 -1.853 4.103 4.604 1.00 0.00 H new ATOM 0 HB THR A 4 -1.350 6.200 5.744 1.00 0.00 H new ATOM 0 HG1 THR A 4 -3.331 6.356 6.990 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.816 8.171 5.521 1.00 0.00 H new ATOM 0 HG22 THR A 4 -2.023 7.765 3.981 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.731 7.340 4.241 1.00 0.00 H new ATOM 67 N PHE A 5 -3.916 5.385 2.463 1.00 0.00 N ATOM 68 CA PHE A 5 -5.213 5.227 1.815 1.00 0.00 C ATOM 69 C PHE A 5 -5.591 3.753 1.708 1.00 0.00 C ATOM 70 O PHE A 5 -6.768 3.397 1.763 1.00 0.00 O ATOM 71 CB PHE A 5 -5.192 5.863 0.423 1.00 0.00 C ATOM 72 CG PHE A 5 -6.430 6.652 0.106 1.00 0.00 C ATOM 73 CD1 PHE A 5 -7.664 6.257 0.599 1.00 0.00 C ATOM 74 CD2 PHE A 5 -6.360 7.788 -0.684 1.00 0.00 C ATOM 75 CE1 PHE A 5 -8.805 6.981 0.308 1.00 0.00 C ATOM 76 CE2 PHE A 5 -7.498 8.516 -0.978 1.00 0.00 C ATOM 77 CZ PHE A 5 -8.721 8.112 -0.481 1.00 0.00 C ATOM 0 H PHE A 5 -3.266 5.991 1.963 1.00 0.00 H new ATOM 0 HA PHE A 5 -5.961 5.732 2.426 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -4.324 6.517 0.344 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -5.069 5.079 -0.324 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.735 5.374 1.217 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.406 8.109 -1.075 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -9.761 6.663 0.697 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -7.430 9.399 -1.596 1.00 0.00 H new ATOM 0 HZ PHE A 5 -9.611 8.680 -0.709 1.00 0.00 H new ATOM 87 N ASP A 6 -4.584 2.900 1.555 1.00 0.00 N ATOM 88 CA ASP A 6 -4.809 1.464 1.440 1.00 0.00 C ATOM 89 C ASP A 6 -5.589 0.938 2.642 1.00 0.00 C ATOM 90 O ASP A 6 -6.761 0.581 2.526 1.00 0.00 O ATOM 91 CB ASP A 6 -3.476 0.725 1.319 1.00 0.00 C ATOM 92 CG ASP A 6 -3.327 0.015 -0.013 1.00 0.00 C ATOM 93 OD1 ASP A 6 -3.522 0.668 -1.058 1.00 0.00 O ATOM 94 OD2 ASP A 6 -3.016 -1.195 -0.009 1.00 0.00 O ATOM 0 H ASP A 6 -3.604 3.178 1.508 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.398 1.285 0.540 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -2.658 1.435 1.443 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -3.392 -0.002 2.127 1.00 0.00 H new ATOM 99 N ASP A 7 -4.929 0.893 3.794 1.00 0.00 N ATOM 100 CA ASP A 7 -5.559 0.411 5.018 1.00 0.00 C ATOM 101 C ASP A 7 -6.687 1.342 5.451 1.00 0.00 C ATOM 102 O ASP A 7 -7.601 0.934 6.169 1.00 0.00 O ATOM 103 CB ASP A 7 -4.524 0.289 6.136 1.00 0.00 C ATOM 104 CG ASP A 7 -3.709 -0.986 6.035 1.00 0.00 C ATOM 105 OD1 ASP A 7 -3.193 -1.274 4.935 1.00 0.00 O ATOM 106 OD2 ASP A 7 -3.587 -1.694 7.056 1.00 0.00 O ATOM 0 H ASP A 7 -3.958 1.184 3.906 1.00 0.00 H new ATOM 0 HA ASP A 7 -5.982 -0.573 4.817 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -3.854 1.148 6.102 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -5.031 0.317 7.101 1.00 0.00 H new ATOM 111 N ILE A 8 -6.616 2.594 5.011 1.00 0.00 N ATOM 112 CA ILE A 8 -7.631 3.582 5.353 1.00 0.00 C ATOM 113 C ILE A 8 -8.940 3.301 4.624 1.00 0.00 C ATOM 114 O ILE A 8 -10.024 3.477 5.181 1.00 0.00 O ATOM 115 CB ILE A 8 -7.164 5.010 5.013 1.00 0.00 C ATOM 116 CG1 ILE A 8 -6.372 5.602 6.181 1.00 0.00 C ATOM 117 CG2 ILE A 8 -8.357 5.891 4.674 1.00 0.00 C ATOM 118 CD1 ILE A 8 -5.810 6.977 5.895 1.00 0.00 C ATOM 0 H ILE A 8 -5.866 2.948 4.417 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.793 3.508 6.428 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.511 4.965 4.141 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.019 5.658 7.057 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.553 4.929 6.432 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.011 6.897 4.436 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -8.883 5.476 3.815 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -9.033 5.933 5.528 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.261 7.334 6.766 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.137 6.924 5.039 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.626 7.665 5.673 1.00 0.00 H new ATOM 130 N LYS A 9 -8.833 2.862 3.374 1.00 0.00 N ATOM 131 CA LYS A 9 -10.007 2.552 2.568 1.00 0.00 C ATOM 132 C LYS A 9 -10.609 1.211 2.975 1.00 0.00 C ATOM 133 O LYS A 9 -11.796 0.961 2.763 1.00 0.00 O ATOM 134 CB LYS A 9 -9.640 2.529 1.082 1.00 0.00 C ATOM 135 CG LYS A 9 -9.187 1.165 0.590 1.00 0.00 C ATOM 136 CD LYS A 9 -8.191 1.288 -0.551 1.00 0.00 C ATOM 137 CE LYS A 9 -8.580 0.406 -1.728 1.00 0.00 C ATOM 138 NZ LYS A 9 -7.602 0.511 -2.847 1.00 0.00 N ATOM 0 H LYS A 9 -7.944 2.713 2.897 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.750 3.331 2.740 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.503 2.849 0.498 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.846 3.254 0.901 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.733 0.612 1.413 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.052 0.590 0.259 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.135 2.327 -0.876 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.197 1.010 -0.200 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.645 -0.631 -1.399 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -9.570 0.691 -2.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.902 -0.105 -3.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.558 1.496 -3.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.662 0.215 -2.515 1.00 0.00 H new ATOM 152 N LYS A 10 -9.783 0.351 3.561 1.00 0.00 N ATOM 153 CA LYS A 10 -10.233 -0.964 4.001 1.00 0.00 C ATOM 154 C LYS A 10 -10.956 -0.872 5.341 1.00 0.00 C ATOM 155 O LYS A 10 -11.885 -1.634 5.609 1.00 0.00 O ATOM 156 CB LYS A 10 -9.045 -1.921 4.115 1.00 0.00 C ATOM 157 CG LYS A 10 -8.573 -2.137 5.543 1.00 0.00 C ATOM 158 CD LYS A 10 -7.263 -2.906 5.588 1.00 0.00 C ATOM 159 CE LYS A 10 -7.499 -4.400 5.746 1.00 0.00 C ATOM 160 NZ LYS A 10 -8.073 -4.733 7.080 1.00 0.00 N ATOM 0 H LYS A 10 -8.797 0.541 3.742 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.931 -1.349 3.257 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.321 -2.883 3.683 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.217 -1.531 3.523 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.447 -1.173 6.035 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.335 -2.682 6.100 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.699 -2.720 4.674 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.655 -2.543 6.417 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.174 -4.746 4.963 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.557 -4.933 5.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.850 -5.721 7.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.665 -4.103 7.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.105 -4.608 7.055 1.00 0.00 H new ATOM 174 N ILE A 11 -10.525 0.066 6.177 1.00 0.00 N ATOM 175 CA ILE A 11 -11.133 0.259 7.488 1.00 0.00 C ATOM 176 C ILE A 11 -12.451 1.017 7.376 1.00 0.00 C ATOM 177 O ILE A 11 -13.413 0.717 8.084 1.00 0.00 O ATOM 178 CB ILE A 11 -10.193 1.024 8.438 1.00 0.00 C ATOM 179 CG1 ILE A 11 -9.800 2.371 7.827 1.00 0.00 C ATOM 180 CG2 ILE A 11 -8.955 0.193 8.741 1.00 0.00 C ATOM 181 CD1 ILE A 11 -8.845 3.168 8.686 1.00 0.00 C ATOM 0 H ILE A 11 -9.757 0.705 5.970 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.321 -0.733 7.898 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.720 1.210 9.374 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.343 2.199 6.853 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.701 2.960 7.657 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.300 0.747 9.414 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.252 -0.743 9.213 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.424 -0.021 7.813 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.610 4.110 8.191 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -9.307 3.371 9.652 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.928 2.598 8.835 1.00 0.00 H new ATOM 193 N ILE A 12 -12.489 1.999 6.482 1.00 0.00 N ATOM 194 CA ILE A 12 -13.690 2.798 6.275 1.00 0.00 C ATOM 195 C ILE A 12 -14.734 2.025 5.477 1.00 0.00 C ATOM 196 O ILE A 12 -15.937 2.208 5.667 1.00 0.00 O ATOM 197 CB ILE A 12 -13.371 4.114 5.541 1.00 0.00 C ATOM 198 CG1 ILE A 12 -12.891 3.827 4.118 1.00 0.00 C ATOM 199 CG2 ILE A 12 -12.325 4.909 6.309 1.00 0.00 C ATOM 200 CD1 ILE A 12 -12.536 5.072 3.336 1.00 0.00 C ATOM 0 H ILE A 12 -11.701 2.260 5.889 1.00 0.00 H new ATOM 0 HA ILE A 12 -14.089 3.029 7.263 1.00 0.00 H new ATOM 0 HB ILE A 12 -14.282 4.710 5.483 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -12.019 3.175 4.162 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -13.669 3.282 3.584 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -12.110 5.836 5.778 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -12.703 5.141 7.305 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -11.412 4.320 6.395 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -12.204 4.791 2.336 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -13.412 5.716 3.260 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -11.736 5.607 3.847 1.00 0.00 H new ATOM 212 N SER A 13 -14.266 1.158 4.585 1.00 0.00 N ATOM 213 CA SER A 13 -15.160 0.357 3.756 1.00 0.00 C ATOM 214 C SER A 13 -15.792 -0.769 4.569 1.00 0.00 C ATOM 215 O SER A 13 -16.957 -1.114 4.373 1.00 0.00 O ATOM 216 CB SER A 13 -14.398 -0.226 2.564 1.00 0.00 C ATOM 217 OG SER A 13 -15.221 -1.100 1.811 1.00 0.00 O ATOM 0 H SER A 13 -13.274 0.992 4.418 1.00 0.00 H new ATOM 0 HA SER A 13 -15.954 1.007 3.389 1.00 0.00 H new ATOM 0 HB2 SER A 13 -14.041 0.582 1.926 1.00 0.00 H new ATOM 0 HB3 SER A 13 -13.519 -0.764 2.918 1.00 0.00 H new ATOM 0 HG SER A 13 -16.118 -0.715 1.729 1.00 0.00 H new ATOM 223 N LYS A 14 -15.014 -1.338 5.484 1.00 0.00 N ATOM 224 CA LYS A 14 -15.496 -2.424 6.330 1.00 0.00 C ATOM 225 C LYS A 14 -16.321 -1.883 7.493 1.00 0.00 C ATOM 226 O LYS A 14 -17.186 -2.577 8.027 1.00 0.00 O ATOM 227 CB LYS A 14 -14.318 -3.242 6.864 1.00 0.00 C ATOM 228 CG LYS A 14 -13.650 -2.625 8.081 1.00 0.00 C ATOM 229 CD LYS A 14 -12.229 -3.133 8.254 1.00 0.00 C ATOM 230 CE LYS A 14 -12.202 -4.503 8.913 1.00 0.00 C ATOM 231 NZ LYS A 14 -11.707 -4.435 10.315 1.00 0.00 N ATOM 0 H LYS A 14 -14.047 -1.065 5.659 1.00 0.00 H new ATOM 0 HA LYS A 14 -16.134 -3.068 5.724 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.668 -4.242 7.120 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.577 -3.356 6.072 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.640 -1.540 7.981 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -14.232 -2.857 8.973 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.740 -3.187 7.281 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.660 -2.426 8.858 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -13.205 -4.931 8.902 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -11.564 -5.171 8.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.704 -5.389 10.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -10.741 -4.051 10.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.330 -3.818 10.874 1.00 0.00 H new ATOM 245 N GLN A 15 -16.049 -0.640 7.878 1.00 0.00 N ATOM 246 CA GLN A 15 -16.768 -0.007 8.977 1.00 0.00 C ATOM 247 C GLN A 15 -18.039 0.671 8.477 1.00 0.00 C ATOM 248 O GLN A 15 -19.108 0.526 9.072 1.00 0.00 O ATOM 249 CB GLN A 15 -15.872 1.016 9.678 1.00 0.00 C ATOM 250 CG GLN A 15 -16.346 1.383 11.075 1.00 0.00 C ATOM 251 CD GLN A 15 -17.685 2.094 11.070 1.00 0.00 C ATOM 252 OE1 GLN A 15 -17.975 2.889 10.176 1.00 0.00 O ATOM 253 NE2 GLN A 15 -18.509 1.811 12.072 1.00 0.00 N ATOM 0 H GLN A 15 -15.337 -0.052 7.445 1.00 0.00 H new ATOM 0 HA GLN A 15 -17.048 -0.783 9.689 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -14.859 0.618 9.740 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -15.823 1.920 9.071 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -16.422 0.478 11.678 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -15.602 2.022 11.551 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -18.227 1.145 12.792 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -19.424 2.259 12.122 1.00 0.00 H new ATOM 262 N LEU A 16 -17.917 1.412 7.382 1.00 0.00 N ATOM 263 CA LEU A 16 -19.057 2.114 6.801 1.00 0.00 C ATOM 264 C LEU A 16 -19.547 1.408 5.541 1.00 0.00 C ATOM 265 O LEU A 16 -20.562 0.712 5.562 1.00 0.00 O ATOM 266 CB LEU A 16 -18.679 3.560 6.475 1.00 0.00 C ATOM 267 CG LEU A 16 -18.487 4.490 7.674 1.00 0.00 C ATOM 268 CD1 LEU A 16 -17.014 4.590 8.041 1.00 0.00 C ATOM 269 CD2 LEU A 16 -19.059 5.868 7.377 1.00 0.00 C ATOM 0 H LEU A 16 -17.040 1.543 6.878 1.00 0.00 H new ATOM 0 HA LEU A 16 -19.864 2.112 7.533 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -17.756 3.551 5.896 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -19.453 3.981 5.834 1.00 0.00 H new ATOM 0 HG LEU A 16 -19.025 4.071 8.524 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -16.896 5.256 8.896 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -16.635 3.601 8.297 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -16.454 4.985 7.194 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -18.914 6.516 8.241 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -18.550 6.295 6.513 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -20.124 5.781 7.164 1.00 0.00 H new ATOM 281 N SER A 17 -18.817 1.590 4.445 1.00 0.00 N ATOM 282 CA SER A 17 -19.178 0.972 3.175 1.00 0.00 C ATOM 283 C SER A 17 -18.154 1.311 2.096 1.00 0.00 C ATOM 284 O SER A 17 -17.344 0.470 1.705 1.00 0.00 O ATOM 285 CB SER A 17 -20.569 1.433 2.736 1.00 0.00 C ATOM 286 OG SER A 17 -21.503 0.370 2.804 1.00 0.00 O ATOM 0 H SER A 17 -17.972 2.160 4.411 1.00 0.00 H new ATOM 0 HA SER A 17 -19.189 -0.109 3.315 1.00 0.00 H new ATOM 0 HB2 SER A 17 -20.901 2.254 3.371 1.00 0.00 H new ATOM 0 HB3 SER A 17 -20.524 1.817 1.717 1.00 0.00 H new ATOM 0 HG SER A 17 -21.583 0.063 3.731 1.00 0.00 H new ATOM 292 N VAL A 18 -18.196 2.551 1.617 1.00 0.00 N ATOM 293 CA VAL A 18 -17.272 3.003 0.584 1.00 0.00 C ATOM 294 C VAL A 18 -17.270 4.524 0.476 1.00 0.00 C ATOM 295 O VAL A 18 -18.181 5.115 -0.101 1.00 0.00 O ATOM 296 CB VAL A 18 -17.628 2.402 -0.789 1.00 0.00 C ATOM 297 CG1 VAL A 18 -16.893 1.087 -1.003 1.00 0.00 C ATOM 298 CG2 VAL A 18 -19.131 2.209 -0.912 1.00 0.00 C ATOM 0 H VAL A 18 -18.860 3.260 1.928 1.00 0.00 H new ATOM 0 HA VAL A 18 -16.279 2.661 0.876 1.00 0.00 H new ATOM 0 HB VAL A 18 -17.310 3.098 -1.565 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -17.157 0.677 -1.978 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -15.818 1.260 -0.961 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -17.177 0.380 -0.223 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -19.365 1.784 -1.888 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -19.476 1.533 -0.130 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -19.631 3.172 -0.807 1.00 0.00 H new ATOM 308 N GLU A 19 -16.239 5.150 1.035 1.00 0.00 N ATOM 309 CA GLU A 19 -16.119 6.603 1.001 1.00 0.00 C ATOM 310 C GLU A 19 -14.718 7.023 0.564 1.00 0.00 C ATOM 311 O GLU A 19 -14.388 8.208 0.563 1.00 0.00 O ATOM 312 CB GLU A 19 -16.436 7.195 2.376 1.00 0.00 C ATOM 313 CG GLU A 19 -15.633 6.572 3.506 1.00 0.00 C ATOM 314 CD GLU A 19 -16.235 6.849 4.870 1.00 0.00 C ATOM 315 OE1 GLU A 19 -17.451 7.124 4.938 1.00 0.00 O ATOM 316 OE2 GLU A 19 -15.489 6.790 5.870 1.00 0.00 O ATOM 0 H GLU A 19 -15.476 4.674 1.516 1.00 0.00 H new ATOM 0 HA GLU A 19 -16.837 6.985 0.275 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.244 8.268 2.354 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -17.498 7.065 2.582 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -15.571 5.495 3.352 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -14.614 6.957 3.478 1.00 0.00 H new ATOM 323 N GLU A 20 -13.900 6.042 0.196 1.00 0.00 N ATOM 324 CA GLU A 20 -12.536 6.310 -0.242 1.00 0.00 C ATOM 325 C GLU A 20 -12.524 7.245 -1.447 1.00 0.00 C ATOM 326 O GLU A 20 -11.534 7.929 -1.707 1.00 0.00 O ATOM 327 CB GLU A 20 -11.822 5.002 -0.590 1.00 0.00 C ATOM 328 CG GLU A 20 -12.243 4.417 -1.927 1.00 0.00 C ATOM 329 CD GLU A 20 -12.267 2.901 -1.919 1.00 0.00 C ATOM 330 OE1 GLU A 20 -11.189 2.291 -1.760 1.00 0.00 O ATOM 331 OE2 GLU A 20 -13.364 2.324 -2.071 1.00 0.00 O ATOM 0 H GLU A 20 -14.158 5.055 0.193 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.008 6.797 0.578 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.746 5.177 -0.602 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.017 4.271 0.195 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.233 4.791 -2.187 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -11.558 4.762 -2.702 1.00 0.00 H new ATOM 338 N ASP A 21 -13.632 7.270 -2.180 1.00 0.00 N ATOM 339 CA ASP A 21 -13.751 8.121 -3.358 1.00 0.00 C ATOM 340 C ASP A 21 -14.215 9.522 -2.972 1.00 0.00 C ATOM 341 O ASP A 21 -14.518 10.347 -3.834 1.00 0.00 O ATOM 342 CB ASP A 21 -14.728 7.505 -4.362 1.00 0.00 C ATOM 343 CG ASP A 21 -14.039 6.585 -5.350 1.00 0.00 C ATOM 344 OD1 ASP A 21 -13.680 5.456 -4.958 1.00 0.00 O ATOM 345 OD2 ASP A 21 -13.858 6.996 -6.516 1.00 0.00 O ATOM 0 H ASP A 21 -14.461 6.710 -1.979 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.767 8.198 -3.821 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.494 6.947 -3.824 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -15.237 8.301 -4.905 1.00 0.00 H new ATOM 350 N LYS A 22 -14.269 9.784 -1.670 1.00 0.00 N ATOM 351 CA LYS A 22 -14.696 11.084 -1.168 1.00 0.00 C ATOM 352 C LYS A 22 -14.150 11.332 0.234 1.00 0.00 C ATOM 353 O LYS A 22 -14.687 12.147 0.985 1.00 0.00 O ATOM 354 CB LYS A 22 -16.224 11.173 -1.155 1.00 0.00 C ATOM 355 CG LYS A 22 -16.897 9.968 -0.521 1.00 0.00 C ATOM 356 CD LYS A 22 -17.216 10.215 0.944 1.00 0.00 C ATOM 357 CE LYS A 22 -18.275 11.294 1.110 1.00 0.00 C ATOM 358 NZ LYS A 22 -17.762 12.462 1.878 1.00 0.00 N ATOM 0 H LYS A 22 -14.022 9.112 -0.943 1.00 0.00 H new ATOM 0 HA LYS A 22 -14.300 11.850 -1.834 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.523 12.072 -0.615 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -16.582 11.282 -2.179 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -17.816 9.737 -1.061 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -16.247 9.098 -0.611 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -17.563 9.289 1.403 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -16.308 10.511 1.470 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -18.613 11.625 0.128 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -19.142 10.876 1.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -18.307 13.311 1.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -17.861 12.278 2.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -16.759 12.614 1.650 1.00 0.00 H new ATOM 372 N ILE A 23 -13.079 10.625 0.581 1.00 0.00 N ATOM 373 CA ILE A 23 -12.460 10.771 1.892 1.00 0.00 C ATOM 374 C ILE A 23 -11.207 11.637 1.815 1.00 0.00 C ATOM 375 O ILE A 23 -10.804 12.251 2.802 1.00 0.00 O ATOM 376 CB ILE A 23 -12.088 9.403 2.495 1.00 0.00 C ATOM 377 CG1 ILE A 23 -12.457 9.358 3.979 1.00 0.00 C ATOM 378 CG2 ILE A 23 -10.605 9.126 2.304 1.00 0.00 C ATOM 379 CD1 ILE A 23 -11.857 10.488 4.786 1.00 0.00 C ATOM 0 H ILE A 23 -12.623 9.946 -0.028 1.00 0.00 H new ATOM 0 HA ILE A 23 -13.195 11.255 2.535 1.00 0.00 H new ATOM 0 HB ILE A 23 -12.652 8.628 1.976 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -13.542 9.389 4.076 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -12.127 8.408 4.398 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.358 8.156 2.735 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.370 9.121 1.240 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.023 9.903 2.800 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.161 10.392 5.828 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.770 10.445 4.720 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.207 11.442 4.392 1.00 0.00 H new ATOM 391 N GLN A 24 -10.597 11.683 0.635 1.00 0.00 N ATOM 392 CA GLN A 24 -9.391 12.475 0.429 1.00 0.00 C ATOM 393 C GLN A 24 -9.733 13.949 0.239 1.00 0.00 C ATOM 394 O GLN A 24 -9.405 14.545 -0.787 1.00 0.00 O ATOM 395 CB GLN A 24 -8.617 11.958 -0.785 1.00 0.00 C ATOM 396 CG GLN A 24 -9.422 11.983 -2.075 1.00 0.00 C ATOM 397 CD GLN A 24 -10.125 10.668 -2.349 1.00 0.00 C ATOM 398 OE1 GLN A 24 -9.504 9.696 -2.778 1.00 0.00 O ATOM 399 NE2 GLN A 24 -11.429 10.631 -2.101 1.00 0.00 N ATOM 0 H GLN A 24 -10.918 11.181 -0.193 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.767 12.378 1.317 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -7.718 12.560 -0.916 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -8.291 10.936 -0.590 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.162 12.782 -2.022 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.759 12.217 -2.908 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -11.904 11.461 -1.746 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -11.955 9.773 -2.266 1.00 0.00 H new ATOM 408 N MET A 25 -10.396 14.531 1.233 1.00 0.00 N ATOM 409 CA MET A 25 -10.782 15.936 1.175 1.00 0.00 C ATOM 410 C MET A 25 -9.616 16.837 1.571 1.00 0.00 C ATOM 411 O MET A 25 -9.718 18.061 1.510 1.00 0.00 O ATOM 412 CB MET A 25 -11.978 16.197 2.093 1.00 0.00 C ATOM 413 CG MET A 25 -13.322 16.000 1.411 1.00 0.00 C ATOM 414 SD MET A 25 -14.125 17.561 0.998 1.00 0.00 S ATOM 415 CE MET A 25 -13.493 17.841 -0.653 1.00 0.00 C ATOM 0 H MET A 25 -10.677 14.051 2.088 1.00 0.00 H new ATOM 0 HA MET A 25 -11.064 16.167 0.148 1.00 0.00 H new ATOM 0 HB2 MET A 25 -11.916 15.532 2.955 1.00 0.00 H new ATOM 0 HB3 MET A 25 -11.918 17.217 2.473 1.00 0.00 H new ATOM 0 HG2 MET A 25 -13.182 15.416 0.501 1.00 0.00 H new ATOM 0 HG3 MET A 25 -13.975 15.421 2.064 1.00 0.00 H new ATOM 0 HE1 MET A 25 -13.914 18.764 -1.052 1.00 0.00 H new ATOM 0 HE2 MET A 25 -12.407 17.924 -0.618 1.00 0.00 H new ATOM 0 HE3 MET A 25 -13.773 17.006 -1.296 1.00 0.00 H new ATOM 425 N ASN A 26 -8.510 16.222 1.977 1.00 0.00 N ATOM 426 CA ASN A 26 -7.325 16.969 2.384 1.00 0.00 C ATOM 427 C ASN A 26 -7.657 17.942 3.511 1.00 0.00 C ATOM 428 O ASN A 26 -6.974 18.950 3.695 1.00 0.00 O ATOM 429 CB ASN A 26 -6.743 17.731 1.191 1.00 0.00 C ATOM 430 CG ASN A 26 -6.740 16.902 -0.079 1.00 0.00 C ATOM 431 OD1 ASN A 26 -6.180 15.806 -0.116 1.00 0.00 O ATOM 432 ND2 ASN A 26 -7.366 17.424 -1.127 1.00 0.00 N ATOM 0 H ASN A 26 -8.409 15.209 2.033 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.584 16.258 2.749 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.322 18.640 1.027 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.724 18.039 1.423 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -7.397 16.913 -2.009 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.816 18.336 -1.050 1.00 0.00 H new ATOM 439 N SER A 27 -8.708 17.633 4.263 1.00 0.00 N ATOM 440 CA SER A 27 -9.132 18.481 5.370 1.00 0.00 C ATOM 441 C SER A 27 -9.092 17.714 6.688 1.00 0.00 C ATOM 442 O SER A 27 -8.149 17.847 7.467 1.00 0.00 O ATOM 443 CB SER A 27 -10.545 19.014 5.120 1.00 0.00 C ATOM 444 OG SER A 27 -10.543 20.012 4.114 1.00 0.00 O ATOM 0 H SER A 27 -9.282 16.801 4.126 1.00 0.00 H new ATOM 0 HA SER A 27 -8.441 19.321 5.437 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.199 18.194 4.822 1.00 0.00 H new ATOM 0 HB3 SER A 27 -10.951 19.426 6.044 1.00 0.00 H new ATOM 0 HG SER A 27 -11.457 20.335 3.972 1.00 0.00 H new ATOM 450 N ASN A 28 -10.123 16.911 6.931 1.00 0.00 N ATOM 451 CA ASN A 28 -10.207 16.123 8.155 1.00 0.00 C ATOM 452 C ASN A 28 -11.063 14.878 7.942 1.00 0.00 C ATOM 453 O ASN A 28 -11.681 14.708 6.891 1.00 0.00 O ATOM 454 CB ASN A 28 -10.787 16.967 9.291 1.00 0.00 C ATOM 455 CG ASN A 28 -10.169 18.350 9.358 1.00 0.00 C ATOM 456 OD1 ASN A 28 -9.207 18.577 10.093 1.00 0.00 O ATOM 457 ND2 ASN A 28 -10.720 19.282 8.589 1.00 0.00 N ATOM 0 H ASN A 28 -10.912 16.789 6.296 1.00 0.00 H new ATOM 0 HA ASN A 28 -9.199 15.808 8.425 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.865 17.060 9.157 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -10.627 16.454 10.239 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -10.347 20.231 8.592 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.516 19.048 7.996 1.00 0.00 H new ATOM 464 N PHE A 29 -11.095 14.010 8.948 1.00 0.00 N ATOM 465 CA PHE A 29 -11.875 12.780 8.872 1.00 0.00 C ATOM 466 C PHE A 29 -13.184 12.918 9.644 1.00 0.00 C ATOM 467 O PHE A 29 -14.196 12.314 9.286 1.00 0.00 O ATOM 468 CB PHE A 29 -11.066 11.603 9.422 1.00 0.00 C ATOM 469 CG PHE A 29 -10.509 10.707 8.354 1.00 0.00 C ATOM 470 CD1 PHE A 29 -9.386 11.082 7.633 1.00 0.00 C ATOM 471 CD2 PHE A 29 -11.106 9.489 8.071 1.00 0.00 C ATOM 472 CE1 PHE A 29 -8.872 10.259 6.648 1.00 0.00 C ATOM 473 CE2 PHE A 29 -10.596 8.662 7.088 1.00 0.00 C ATOM 474 CZ PHE A 29 -9.477 9.048 6.377 1.00 0.00 C ATOM 0 H PHE A 29 -10.590 14.136 9.825 1.00 0.00 H new ATOM 0 HA PHE A 29 -12.110 12.592 7.824 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -10.245 11.988 10.027 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -11.701 11.014 10.084 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -8.907 12.027 7.843 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -11.981 9.182 8.625 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -7.998 10.563 6.091 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -11.072 7.716 6.876 1.00 0.00 H new ATOM 0 HZ PHE A 29 -9.075 8.403 5.609 1.00 0.00 H new ATOM 484 N THR A 30 -13.157 13.717 10.706 1.00 0.00 N ATOM 485 CA THR A 30 -14.339 13.933 11.530 1.00 0.00 C ATOM 486 C THR A 30 -14.719 15.409 11.569 1.00 0.00 C ATOM 487 O THR A 30 -15.591 15.816 12.337 1.00 0.00 O ATOM 488 CB THR A 30 -14.119 13.433 12.970 1.00 0.00 C ATOM 489 OG1 THR A 30 -15.357 13.452 13.690 1.00 0.00 O ATOM 490 CG2 THR A 30 -13.094 14.295 13.692 1.00 0.00 C ATOM 0 H THR A 30 -12.329 14.225 11.016 1.00 0.00 H new ATOM 0 HA THR A 30 -15.150 13.363 11.076 1.00 0.00 H new ATOM 0 HB THR A 30 -13.742 12.411 12.922 1.00 0.00 H new ATOM 0 HG1 THR A 30 -15.859 14.261 13.457 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.956 13.922 14.707 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.144 14.255 13.158 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.447 15.326 13.729 1.00 0.00 H new ATOM 498 N LYS A 31 -14.061 16.207 10.735 1.00 0.00 N ATOM 499 CA LYS A 31 -14.331 17.638 10.672 1.00 0.00 C ATOM 500 C LYS A 31 -14.777 18.047 9.271 1.00 0.00 C ATOM 501 O LYS A 31 -15.582 18.964 9.109 1.00 0.00 O ATOM 502 CB LYS A 31 -13.086 18.432 11.074 1.00 0.00 C ATOM 503 CG LYS A 31 -12.203 17.710 12.078 1.00 0.00 C ATOM 504 CD LYS A 31 -10.959 18.518 12.408 1.00 0.00 C ATOM 505 CE LYS A 31 -11.089 19.217 13.753 1.00 0.00 C ATOM 506 NZ LYS A 31 -10.115 20.334 13.894 1.00 0.00 N ATOM 0 H LYS A 31 -13.336 15.886 10.093 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.137 17.860 11.371 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.501 18.652 10.181 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -13.395 19.388 11.496 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -12.768 17.521 12.991 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.912 16.739 11.676 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.090 17.861 12.421 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -10.787 19.259 11.627 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.102 19.602 13.865 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.932 18.495 14.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.236 20.785 14.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.147 19.963 13.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.281 21.036 13.145 1.00 0.00 H new ATOM 520 N ASP A 32 -14.250 17.359 8.264 1.00 0.00 N ATOM 521 CA ASP A 32 -14.596 17.649 6.877 1.00 0.00 C ATOM 522 C ASP A 32 -15.886 16.939 6.479 1.00 0.00 C ATOM 523 O ASP A 32 -16.655 17.439 5.657 1.00 0.00 O ATOM 524 CB ASP A 32 -13.458 17.226 5.947 1.00 0.00 C ATOM 525 CG ASP A 32 -13.797 17.439 4.484 1.00 0.00 C ATOM 526 OD1 ASP A 32 -14.583 16.640 3.934 1.00 0.00 O ATOM 527 OD2 ASP A 32 -13.276 18.407 3.891 1.00 0.00 O ATOM 0 H ASP A 32 -13.582 16.597 8.382 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.751 18.724 6.783 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.560 17.792 6.195 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.228 16.174 6.114 1.00 0.00 H new ATOM 532 N LEU A 33 -16.117 15.770 7.066 1.00 0.00 N ATOM 533 CA LEU A 33 -17.314 14.989 6.773 1.00 0.00 C ATOM 534 C LEU A 33 -18.182 14.833 8.018 1.00 0.00 C ATOM 535 O LEU A 33 -19.405 14.748 7.927 1.00 0.00 O ATOM 536 CB LEU A 33 -16.928 13.612 6.230 1.00 0.00 C ATOM 537 CG LEU A 33 -15.616 13.027 6.755 1.00 0.00 C ATOM 538 CD1 LEU A 33 -15.750 11.528 6.975 1.00 0.00 C ATOM 539 CD2 LEU A 33 -14.476 13.327 5.793 1.00 0.00 C ATOM 0 H LEU A 33 -15.491 15.342 7.748 1.00 0.00 H new ATOM 0 HA LEU A 33 -17.890 15.523 6.017 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -17.732 12.914 6.462 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -16.865 13.677 5.144 1.00 0.00 H new ATOM 0 HG LEU A 33 -15.389 13.495 7.713 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -14.807 11.129 7.349 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -16.539 11.336 7.703 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -16.001 11.043 6.032 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.550 12.903 6.182 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -14.695 12.887 4.820 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -14.364 14.406 5.686 1.00 0.00 H new ATOM 551 N GLY A 34 -17.538 14.799 9.181 1.00 0.00 N ATOM 552 CA GLY A 34 -18.267 14.656 10.428 1.00 0.00 C ATOM 553 C GLY A 34 -19.232 13.487 10.404 1.00 0.00 C ATOM 554 O GLY A 34 -20.414 13.644 10.707 1.00 0.00 O ATOM 0 H GLY A 34 -16.525 14.868 9.282 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -17.559 14.522 11.246 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -18.818 15.574 10.631 1.00 0.00 H new ATOM 558 N ALA A 35 -18.728 12.312 10.041 1.00 0.00 N ATOM 559 CA ALA A 35 -19.554 11.113 9.980 1.00 0.00 C ATOM 560 C ALA A 35 -20.075 10.733 11.362 1.00 0.00 C ATOM 561 O ALA A 35 -21.239 10.970 11.683 1.00 0.00 O ATOM 562 CB ALA A 35 -18.766 9.960 9.375 1.00 0.00 C ATOM 0 H ALA A 35 -17.752 12.165 9.785 1.00 0.00 H new ATOM 0 HA ALA A 35 -20.413 11.326 9.344 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -19.395 9.071 9.335 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -18.449 10.226 8.366 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -17.889 9.757 9.989 1.00 0.00 H new ATOM 568 N ASP A 36 -19.205 10.143 12.175 1.00 0.00 N ATOM 569 CA ASP A 36 -19.578 9.731 13.523 1.00 0.00 C ATOM 570 C ASP A 36 -18.385 9.123 14.254 1.00 0.00 C ATOM 571 O ASP A 36 -17.785 8.135 13.835 1.00 0.00 O ATOM 572 CB ASP A 36 -20.728 8.723 13.471 1.00 0.00 C ATOM 573 CG ASP A 36 -21.970 9.226 14.180 1.00 0.00 C ATOM 574 OD1 ASP A 36 -22.673 10.086 13.608 1.00 0.00 O ATOM 575 OD2 ASP A 36 -22.240 8.760 15.307 1.00 0.00 O ATOM 0 H ASP A 36 -18.238 9.940 11.924 1.00 0.00 H new ATOM 0 HA ASP A 36 -19.905 10.615 14.070 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -20.970 8.505 12.431 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -20.407 7.786 13.927 1.00 0.00 H new ATOM 580 N SER A 37 -18.016 9.731 15.395 1.00 0.00 N ATOM 581 CA SER A 37 -16.891 9.334 16.272 1.00 0.00 C ATOM 582 C SER A 37 -16.749 7.809 16.402 1.00 0.00 C ATOM 583 O SER A 37 -15.647 7.257 16.389 1.00 0.00 O ATOM 584 CB SER A 37 -17.127 10.003 17.635 1.00 0.00 C ATOM 585 OG SER A 37 -18.290 9.475 18.274 1.00 0.00 O ATOM 0 H SER A 37 -18.513 10.548 15.750 1.00 0.00 H new ATOM 0 HA SER A 37 -15.948 9.665 15.836 1.00 0.00 H new ATOM 0 HB2 SER A 37 -16.257 9.851 18.274 1.00 0.00 H new ATOM 0 HB3 SER A 37 -17.239 11.079 17.501 1.00 0.00 H new ATOM 590 N LEU A 38 -17.890 7.141 16.530 1.00 0.00 N ATOM 591 CA LEU A 38 -17.915 5.688 16.665 1.00 0.00 C ATOM 592 C LEU A 38 -17.218 5.019 15.485 1.00 0.00 C ATOM 593 O LEU A 38 -16.356 4.159 15.666 1.00 0.00 O ATOM 594 CB LEU A 38 -19.358 5.191 16.768 1.00 0.00 C ATOM 595 CG LEU A 38 -20.224 5.860 17.837 1.00 0.00 C ATOM 596 CD1 LEU A 38 -21.038 6.993 17.232 1.00 0.00 C ATOM 597 CD2 LEU A 38 -21.136 4.839 18.500 1.00 0.00 C ATOM 0 H LEU A 38 -18.810 7.582 16.543 1.00 0.00 H new ATOM 0 HA LEU A 38 -17.380 5.423 17.577 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -19.839 5.330 15.800 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -19.339 4.119 16.963 1.00 0.00 H new ATOM 0 HG LEU A 38 -19.568 6.279 18.600 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -21.648 7.457 18.007 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -20.365 7.737 16.806 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -21.685 6.598 16.449 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -21.745 5.333 19.258 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -21.786 4.389 17.749 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -20.532 4.062 18.969 1.00 0.00 H new ATOM 609 N ASP A 39 -17.596 5.421 14.276 1.00 0.00 N ATOM 610 CA ASP A 39 -17.005 4.863 13.065 1.00 0.00 C ATOM 611 C ASP A 39 -15.550 5.297 12.921 1.00 0.00 C ATOM 612 O ASP A 39 -14.661 4.470 12.713 1.00 0.00 O ATOM 613 CB ASP A 39 -17.804 5.297 11.835 1.00 0.00 C ATOM 614 CG ASP A 39 -19.219 4.753 11.843 1.00 0.00 C ATOM 615 OD1 ASP A 39 -19.643 4.219 12.889 1.00 0.00 O ATOM 616 OD2 ASP A 39 -19.903 4.861 10.803 1.00 0.00 O ATOM 0 H ASP A 39 -18.309 6.131 14.109 1.00 0.00 H new ATOM 0 HA ASP A 39 -17.035 3.776 13.143 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -17.837 6.386 11.792 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -17.292 4.958 10.934 1.00 0.00 H new ATOM 621 N LEU A 40 -15.313 6.600 13.031 1.00 0.00 N ATOM 622 CA LEU A 40 -13.965 7.145 12.911 1.00 0.00 C ATOM 623 C LEU A 40 -13.004 6.434 13.858 1.00 0.00 C ATOM 624 O LEU A 40 -11.948 5.955 13.444 1.00 0.00 O ATOM 625 CB LEU A 40 -13.973 8.646 13.206 1.00 0.00 C ATOM 626 CG LEU A 40 -14.397 9.555 12.052 1.00 0.00 C ATOM 627 CD1 LEU A 40 -13.500 9.337 10.844 1.00 0.00 C ATOM 628 CD2 LEU A 40 -15.854 9.310 11.688 1.00 0.00 C ATOM 0 H LEU A 40 -16.036 7.298 13.203 1.00 0.00 H new ATOM 0 HA LEU A 40 -13.624 6.984 11.888 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -14.641 8.827 14.048 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -12.972 8.939 13.524 1.00 0.00 H new ATOM 0 HG LEU A 40 -14.293 10.591 12.374 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -13.817 9.992 10.033 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -12.468 9.564 11.112 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -13.571 8.299 10.521 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -16.139 9.966 10.865 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -15.984 8.271 11.386 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -16.485 9.518 12.552 1.00 0.00 H new ATOM 640 N VAL A 41 -13.378 6.367 15.132 1.00 0.00 N ATOM 641 CA VAL A 41 -12.551 5.711 16.138 1.00 0.00 C ATOM 642 C VAL A 41 -12.453 4.212 15.876 1.00 0.00 C ATOM 643 O VAL A 41 -11.478 3.568 16.263 1.00 0.00 O ATOM 644 CB VAL A 41 -13.107 5.938 17.556 1.00 0.00 C ATOM 645 CG1 VAL A 41 -12.265 5.198 18.585 1.00 0.00 C ATOM 646 CG2 VAL A 41 -13.166 7.425 17.874 1.00 0.00 C ATOM 0 H VAL A 41 -14.248 6.759 15.492 1.00 0.00 H new ATOM 0 HA VAL A 41 -11.558 6.155 16.070 1.00 0.00 H new ATOM 0 HB VAL A 41 -14.121 5.540 17.597 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -12.673 5.370 19.581 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -12.279 4.130 18.367 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -11.239 5.563 18.545 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -13.561 7.567 18.880 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -12.164 7.850 17.815 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -13.815 7.925 17.155 1.00 0.00 H new ATOM 656 N GLU A 42 -13.468 3.664 15.217 1.00 0.00 N ATOM 657 CA GLU A 42 -13.495 2.240 14.904 1.00 0.00 C ATOM 658 C GLU A 42 -12.529 1.914 13.769 1.00 0.00 C ATOM 659 O GLU A 42 -11.534 1.214 13.967 1.00 0.00 O ATOM 660 CB GLU A 42 -14.912 1.806 14.522 1.00 0.00 C ATOM 661 CG GLU A 42 -15.731 1.301 15.698 1.00 0.00 C ATOM 662 CD GLU A 42 -15.155 0.039 16.312 1.00 0.00 C ATOM 663 OE1 GLU A 42 -14.480 -0.718 15.584 1.00 0.00 O ATOM 664 OE2 GLU A 42 -15.380 -0.190 17.518 1.00 0.00 O ATOM 0 H GLU A 42 -14.282 4.184 14.889 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.182 1.693 15.793 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -15.430 2.649 14.064 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -14.852 1.021 13.768 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.784 2.079 16.459 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -16.752 1.107 15.368 1.00 0.00 H new ATOM 671 N LEU A 43 -12.828 2.425 12.580 1.00 0.00 N ATOM 672 CA LEU A 43 -11.986 2.188 11.412 1.00 0.00 C ATOM 673 C LEU A 43 -10.518 2.439 11.739 1.00 0.00 C ATOM 674 O LEU A 43 -9.639 1.698 11.298 1.00 0.00 O ATOM 675 CB LEU A 43 -12.424 3.087 10.254 1.00 0.00 C ATOM 676 CG LEU A 43 -12.306 4.593 10.491 1.00 0.00 C ATOM 677 CD1 LEU A 43 -11.025 5.132 9.875 1.00 0.00 C ATOM 678 CD2 LEU A 43 -13.519 5.318 9.926 1.00 0.00 C ATOM 0 H LEU A 43 -13.647 3.006 12.399 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.099 1.145 11.118 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.831 2.830 9.377 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.462 2.857 10.015 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.270 4.771 11.566 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.959 6.205 10.054 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.167 4.635 10.327 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.030 4.943 8.802 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.418 6.389 10.104 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.587 5.133 8.854 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.422 4.953 10.415 1.00 0.00 H new ATOM 690 N ILE A 44 -10.260 3.486 12.515 1.00 0.00 N ATOM 691 CA ILE A 44 -8.899 3.832 12.904 1.00 0.00 C ATOM 692 C ILE A 44 -8.267 2.724 13.739 1.00 0.00 C ATOM 693 O ILE A 44 -7.177 2.244 13.429 1.00 0.00 O ATOM 694 CB ILE A 44 -8.858 5.148 13.703 1.00 0.00 C ATOM 695 CG1 ILE A 44 -9.180 6.334 12.791 1.00 0.00 C ATOM 696 CG2 ILE A 44 -7.497 5.330 14.356 1.00 0.00 C ATOM 697 CD1 ILE A 44 -9.535 7.597 13.545 1.00 0.00 C ATOM 0 H ILE A 44 -10.976 4.110 12.887 1.00 0.00 H new ATOM 0 HA ILE A 44 -8.331 3.958 11.982 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.612 5.102 14.488 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.321 6.533 12.150 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.010 6.065 12.138 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.485 6.265 14.917 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.304 4.498 15.033 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.725 5.358 13.587 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -9.751 8.396 12.835 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.412 7.416 14.166 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.697 7.891 14.178 1.00 0.00 H new ATOM 709 N MET A 45 -8.961 2.321 14.799 1.00 0.00 N ATOM 710 CA MET A 45 -8.469 1.266 15.677 1.00 0.00 C ATOM 711 C MET A 45 -8.058 0.036 14.874 1.00 0.00 C ATOM 712 O MET A 45 -7.145 -0.693 15.261 1.00 0.00 O ATOM 713 CB MET A 45 -9.539 0.885 16.702 1.00 0.00 C ATOM 714 CG MET A 45 -10.296 -0.384 16.347 1.00 0.00 C ATOM 715 SD MET A 45 -11.772 -0.619 17.356 1.00 0.00 S ATOM 716 CE MET A 45 -11.990 -2.392 17.230 1.00 0.00 C ATOM 0 H MET A 45 -9.865 2.709 15.070 1.00 0.00 H new ATOM 0 HA MET A 45 -7.592 1.645 16.201 1.00 0.00 H new ATOM 0 HB2 MET A 45 -9.068 0.757 17.676 1.00 0.00 H new ATOM 0 HB3 MET A 45 -10.249 1.707 16.797 1.00 0.00 H new ATOM 0 HG2 MET A 45 -10.581 -0.350 15.296 1.00 0.00 H new ATOM 0 HG3 MET A 45 -9.636 -1.243 16.471 1.00 0.00 H new ATOM 0 HE1 MET A 45 -12.867 -2.692 17.804 1.00 0.00 H new ATOM 0 HE2 MET A 45 -12.128 -2.668 16.185 1.00 0.00 H new ATOM 0 HE3 MET A 45 -11.108 -2.896 17.625 1.00 0.00 H new ATOM 726 N ALA A 46 -8.737 -0.187 13.753 1.00 0.00 N ATOM 727 CA ALA A 46 -8.441 -1.327 12.895 1.00 0.00 C ATOM 728 C ALA A 46 -7.177 -1.084 12.077 1.00 0.00 C ATOM 729 O ALA A 46 -6.341 -1.977 11.926 1.00 0.00 O ATOM 730 CB ALA A 46 -9.619 -1.616 11.976 1.00 0.00 C ATOM 0 H ALA A 46 -9.496 0.407 13.418 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.270 -2.195 13.532 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.384 -2.470 11.341 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.501 -1.841 12.575 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.817 -0.744 11.353 1.00 0.00 H new ATOM 736 N LEU A 47 -7.042 0.128 11.549 1.00 0.00 N ATOM 737 CA LEU A 47 -5.880 0.488 10.745 1.00 0.00 C ATOM 738 C LEU A 47 -4.585 0.149 11.478 1.00 0.00 C ATOM 739 O LEU A 47 -3.704 -0.509 10.927 1.00 0.00 O ATOM 740 CB LEU A 47 -5.912 1.979 10.405 1.00 0.00 C ATOM 741 CG LEU A 47 -5.333 2.370 9.045 1.00 0.00 C ATOM 742 CD1 LEU A 47 -5.323 3.882 8.884 1.00 0.00 C ATOM 743 CD2 LEU A 47 -3.929 1.805 8.881 1.00 0.00 C ATOM 0 H LEU A 47 -7.724 0.878 11.664 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.915 -0.089 9.821 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.947 2.319 10.448 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.366 2.519 11.179 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.967 1.947 8.266 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.908 4.141 7.910 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.342 4.262 8.957 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.712 4.327 9.669 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.532 2.093 7.907 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.284 2.199 9.667 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.964 0.718 8.951 1.00 0.00 H new ATOM 755 N GLU A 48 -4.480 0.603 12.723 1.00 0.00 N ATOM 756 CA GLU A 48 -3.293 0.347 13.531 1.00 0.00 C ATOM 757 C GLU A 48 -3.235 -1.115 13.964 1.00 0.00 C ATOM 758 O GLU A 48 -2.167 -1.724 13.985 1.00 0.00 O ATOM 759 CB GLU A 48 -3.281 1.256 14.762 1.00 0.00 C ATOM 760 CG GLU A 48 -4.443 1.012 15.710 1.00 0.00 C ATOM 761 CD GLU A 48 -4.118 -0.014 16.778 1.00 0.00 C ATOM 762 OE1 GLU A 48 -3.014 -0.595 16.728 1.00 0.00 O ATOM 763 OE2 GLU A 48 -4.969 -0.234 17.666 1.00 0.00 O ATOM 0 H GLU A 48 -5.201 1.149 13.194 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.416 0.562 12.921 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.346 1.110 15.302 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.301 2.296 14.436 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.722 1.952 16.187 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.308 0.675 15.139 1.00 0.00 H new ATOM 770 N GLU A 49 -4.393 -1.670 14.310 1.00 0.00 N ATOM 771 CA GLU A 49 -4.473 -3.059 14.744 1.00 0.00 C ATOM 772 C GLU A 49 -3.856 -3.991 13.705 1.00 0.00 C ATOM 773 O GLU A 49 -3.372 -5.074 14.034 1.00 0.00 O ATOM 774 CB GLU A 49 -5.930 -3.454 14.998 1.00 0.00 C ATOM 775 CG GLU A 49 -6.313 -3.454 16.468 1.00 0.00 C ATOM 776 CD GLU A 49 -7.775 -3.792 16.690 1.00 0.00 C ATOM 777 OE1 GLU A 49 -8.547 -3.754 15.710 1.00 0.00 O ATOM 778 OE2 GLU A 49 -8.146 -4.095 17.843 1.00 0.00 O ATOM 0 H GLU A 49 -5.287 -1.179 14.298 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.910 -3.155 15.673 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.583 -2.766 14.461 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.106 -4.448 14.585 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.692 -4.174 17.001 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.102 -2.473 16.895 1.00 0.00 H new ATOM 785 N LYS A 50 -3.878 -3.562 12.448 1.00 0.00 N ATOM 786 CA LYS A 50 -3.320 -4.355 11.358 1.00 0.00 C ATOM 787 C LYS A 50 -1.848 -4.021 11.141 1.00 0.00 C ATOM 788 O LYS A 50 -1.034 -4.906 10.874 1.00 0.00 O ATOM 789 CB LYS A 50 -4.106 -4.110 10.068 1.00 0.00 C ATOM 790 CG LYS A 50 -3.499 -4.783 8.849 1.00 0.00 C ATOM 791 CD LYS A 50 -4.566 -5.180 7.843 1.00 0.00 C ATOM 792 CE LYS A 50 -4.141 -6.393 7.029 1.00 0.00 C ATOM 793 NZ LYS A 50 -3.468 -6.002 5.760 1.00 0.00 N ATOM 0 H LYS A 50 -4.276 -2.669 12.158 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.399 -5.408 11.630 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.127 -4.469 10.200 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.167 -3.037 9.888 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.786 -4.108 8.377 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.943 -5.668 9.160 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.497 -5.399 8.366 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.766 -4.343 7.174 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.466 -7.010 7.622 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.016 -7.003 6.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.194 -6.857 5.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.120 -5.434 5.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.619 -5.441 5.976 1.00 0.00 H new ATOM 807 N PHE A 51 -1.512 -2.741 11.257 1.00 0.00 N ATOM 808 CA PHE A 51 -0.137 -2.291 11.073 1.00 0.00 C ATOM 809 C PHE A 51 0.728 -2.685 12.267 1.00 0.00 C ATOM 810 O PHE A 51 1.948 -2.529 12.241 1.00 0.00 O ATOM 811 CB PHE A 51 -0.096 -0.774 10.878 1.00 0.00 C ATOM 812 CG PHE A 51 0.009 -0.358 9.438 1.00 0.00 C ATOM 813 CD1 PHE A 51 -0.746 -0.990 8.464 1.00 0.00 C ATOM 814 CD2 PHE A 51 0.863 0.666 9.060 1.00 0.00 C ATOM 815 CE1 PHE A 51 -0.650 -0.609 7.138 1.00 0.00 C ATOM 816 CE2 PHE A 51 0.963 1.051 7.737 1.00 0.00 C ATOM 817 CZ PHE A 51 0.205 0.413 6.775 1.00 0.00 C ATOM 0 H PHE A 51 -2.173 -1.996 11.478 1.00 0.00 H new ATOM 0 HA PHE A 51 0.261 -2.776 10.182 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.996 -0.336 11.310 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.753 -0.368 11.428 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.417 -1.789 8.743 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.457 1.169 9.809 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.243 -1.110 6.387 1.00 0.00 H new ATOM 0 HE2 PHE A 51 1.633 1.850 7.455 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.281 0.713 5.740 1.00 0.00 H new ATOM 827 N ASN A 52 0.086 -3.196 13.312 1.00 0.00 N ATOM 828 CA ASN A 52 0.795 -3.612 14.517 1.00 0.00 C ATOM 829 C ASN A 52 1.471 -2.420 15.188 1.00 0.00 C ATOM 830 O ASN A 52 2.653 -2.473 15.527 1.00 0.00 O ATOM 831 CB ASN A 52 1.838 -4.679 14.177 1.00 0.00 C ATOM 832 CG ASN A 52 2.424 -5.330 15.415 1.00 0.00 C ATOM 833 OD1 ASN A 52 1.698 -5.691 16.342 1.00 0.00 O ATOM 834 ND2 ASN A 52 3.743 -5.482 15.436 1.00 0.00 N ATOM 0 H ASN A 52 -0.924 -3.332 13.349 1.00 0.00 H new ATOM 0 HA ASN A 52 0.067 -4.033 15.211 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.380 -5.444 13.550 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.640 -4.226 13.594 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.194 -5.913 16.243 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.305 -5.168 14.645 1.00 0.00 H new ATOM 841 N VAL A 53 0.712 -1.346 15.378 1.00 0.00 N ATOM 842 CA VAL A 53 1.236 -0.141 16.011 1.00 0.00 C ATOM 843 C VAL A 53 0.529 0.137 17.333 1.00 0.00 C ATOM 844 O VAL A 53 -0.221 -0.699 17.837 1.00 0.00 O ATOM 845 CB VAL A 53 1.085 1.086 15.092 1.00 0.00 C ATOM 846 CG1 VAL A 53 2.420 1.797 14.926 1.00 0.00 C ATOM 847 CG2 VAL A 53 0.520 0.674 13.741 1.00 0.00 C ATOM 0 H VAL A 53 -0.268 -1.285 15.103 1.00 0.00 H new ATOM 0 HA VAL A 53 2.295 -0.317 16.199 1.00 0.00 H new ATOM 0 HB VAL A 53 0.385 1.781 15.556 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.293 2.661 14.274 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.780 2.128 15.900 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.144 1.112 14.485 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.420 1.553 13.105 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.193 -0.041 13.268 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.458 0.214 13.881 1.00 0.00 H new ATOM 857 N THR A 54 0.773 1.319 17.890 1.00 0.00 N ATOM 858 CA THR A 54 0.161 1.709 19.154 1.00 0.00 C ATOM 859 C THR A 54 -0.139 3.203 19.183 1.00 0.00 C ATOM 860 O THR A 54 0.452 3.949 19.964 1.00 0.00 O ATOM 861 CB THR A 54 1.067 1.356 20.349 1.00 0.00 C ATOM 862 OG1 THR A 54 1.476 -0.014 20.265 1.00 0.00 O ATOM 863 CG2 THR A 54 0.343 1.594 21.666 1.00 0.00 C ATOM 0 H THR A 54 1.390 2.023 17.485 1.00 0.00 H new ATOM 0 HA THR A 54 -0.773 1.153 19.237 1.00 0.00 H new ATOM 0 HB THR A 54 1.945 2.000 20.314 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.053 -0.231 21.027 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.002 1.338 22.495 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.058 2.643 21.740 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.551 0.971 21.708 1.00 0.00 H new ATOM 871 N ILE A 55 -1.061 3.633 18.327 1.00 0.00 N ATOM 872 CA ILE A 55 -1.440 5.039 18.257 1.00 0.00 C ATOM 873 C ILE A 55 -2.817 5.268 18.869 1.00 0.00 C ATOM 874 O ILE A 55 -3.587 4.327 19.062 1.00 0.00 O ATOM 875 CB ILE A 55 -1.445 5.548 16.803 1.00 0.00 C ATOM 876 CG1 ILE A 55 -0.512 4.698 15.938 1.00 0.00 C ATOM 877 CG2 ILE A 55 -1.034 7.012 16.753 1.00 0.00 C ATOM 878 CD1 ILE A 55 -1.226 3.606 15.173 1.00 0.00 C ATOM 0 H ILE A 55 -1.559 3.028 17.673 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.696 5.596 18.826 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.457 5.461 16.407 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.006 5.346 15.231 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.249 4.247 16.574 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.042 7.357 15.719 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.734 7.607 17.340 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.031 7.122 17.164 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.503 3.044 14.582 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.722 2.935 15.874 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.968 4.051 14.511 1.00 0.00 H new ATOM 890 N SER A 56 -3.123 6.526 19.171 1.00 0.00 N ATOM 891 CA SER A 56 -4.408 6.880 19.763 1.00 0.00 C ATOM 892 C SER A 56 -4.482 8.377 20.046 1.00 0.00 C ATOM 893 O SER A 56 -5.319 9.085 19.487 1.00 0.00 O ATOM 894 CB SER A 56 -4.631 6.093 21.056 1.00 0.00 C ATOM 895 OG SER A 56 -5.335 6.869 22.010 1.00 0.00 O ATOM 0 H SER A 56 -2.498 7.317 19.015 1.00 0.00 H new ATOM 0 HA SER A 56 -5.192 6.624 19.050 1.00 0.00 H new ATOM 0 HB2 SER A 56 -5.190 5.182 20.839 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.670 5.787 21.469 1.00 0.00 H new ATOM 0 HG SER A 56 -5.466 6.343 22.827 1.00 0.00 H new ATOM 901 N ASP A 57 -3.599 8.852 20.918 1.00 0.00 N ATOM 902 CA ASP A 57 -3.562 10.265 21.275 1.00 0.00 C ATOM 903 C ASP A 57 -3.205 11.123 20.065 1.00 0.00 C ATOM 904 O ASP A 57 -3.390 12.340 20.079 1.00 0.00 O ATOM 905 CB ASP A 57 -2.553 10.503 22.400 1.00 0.00 C ATOM 906 CG ASP A 57 -3.224 10.736 23.740 1.00 0.00 C ATOM 907 OD1 ASP A 57 -4.348 10.229 23.936 1.00 0.00 O ATOM 908 OD2 ASP A 57 -2.625 11.425 24.591 1.00 0.00 O ATOM 0 H ASP A 57 -2.900 8.279 21.390 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.555 10.552 21.621 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.887 9.643 22.475 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.934 11.365 22.152 1.00 0.00 H new ATOM 913 N GLN A 58 -2.691 10.480 19.022 1.00 0.00 N ATOM 914 CA GLN A 58 -2.306 11.185 17.805 1.00 0.00 C ATOM 915 C GLN A 58 -3.088 10.664 16.603 1.00 0.00 C ATOM 916 O GLN A 58 -3.407 11.417 15.684 1.00 0.00 O ATOM 917 CB GLN A 58 -0.805 11.033 17.555 1.00 0.00 C ATOM 918 CG GLN A 58 -0.052 12.354 17.552 1.00 0.00 C ATOM 919 CD GLN A 58 -0.429 13.244 18.720 1.00 0.00 C ATOM 920 OE1 GLN A 58 -0.632 14.447 18.559 1.00 0.00 O ATOM 921 NE2 GLN A 58 -0.524 12.655 19.906 1.00 0.00 N ATOM 0 H GLN A 58 -2.532 9.473 18.995 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.540 12.241 17.938 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.381 10.384 18.322 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.653 10.536 16.597 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.020 12.157 17.582 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.254 12.881 16.619 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.347 11.654 19.994 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.774 13.203 20.729 1.00 0.00 H new ATOM 930 N ASP A 59 -3.393 9.371 16.618 1.00 0.00 N ATOM 931 CA ASP A 59 -4.138 8.749 15.530 1.00 0.00 C ATOM 932 C ASP A 59 -5.507 9.402 15.366 1.00 0.00 C ATOM 933 O ASP A 59 -6.142 9.280 14.319 1.00 0.00 O ATOM 934 CB ASP A 59 -4.302 7.250 15.787 1.00 0.00 C ATOM 935 CG ASP A 59 -3.825 6.407 14.621 1.00 0.00 C ATOM 936 OD1 ASP A 59 -2.616 6.451 14.312 1.00 0.00 O ATOM 937 OD2 ASP A 59 -4.661 5.702 14.018 1.00 0.00 O ATOM 0 H ASP A 59 -3.136 8.734 17.372 1.00 0.00 H new ATOM 0 HA ASP A 59 -3.574 8.892 14.608 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.745 6.975 16.682 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.351 7.031 15.985 1.00 0.00 H new ATOM 942 N ALA A 60 -5.956 10.095 16.408 1.00 0.00 N ATOM 943 CA ALA A 60 -7.248 10.768 16.378 1.00 0.00 C ATOM 944 C ALA A 60 -7.103 12.215 15.920 1.00 0.00 C ATOM 945 O ALA A 60 -8.090 12.943 15.805 1.00 0.00 O ATOM 946 CB ALA A 60 -7.905 10.709 17.750 1.00 0.00 C ATOM 0 H ALA A 60 -5.444 10.205 17.283 1.00 0.00 H new ATOM 0 HA ALA A 60 -7.884 10.250 15.660 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -8.869 11.215 17.714 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.052 9.668 18.038 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.264 11.201 18.482 1.00 0.00 H new ATOM 952 N LEU A 61 -5.867 12.627 15.661 1.00 0.00 N ATOM 953 CA LEU A 61 -5.593 13.989 15.216 1.00 0.00 C ATOM 954 C LEU A 61 -4.421 14.017 14.239 1.00 0.00 C ATOM 955 O LEU A 61 -3.718 15.022 14.125 1.00 0.00 O ATOM 956 CB LEU A 61 -5.293 14.889 16.416 1.00 0.00 C ATOM 957 CG LEU A 61 -6.134 14.639 17.668 1.00 0.00 C ATOM 958 CD1 LEU A 61 -5.510 13.546 18.522 1.00 0.00 C ATOM 959 CD2 LEU A 61 -6.289 15.922 18.471 1.00 0.00 C ATOM 0 H LEU A 61 -5.039 12.038 15.751 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.479 14.362 14.703 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.242 14.772 16.679 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.431 15.926 16.111 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.124 14.307 17.356 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.123 13.382 19.408 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.452 12.623 17.946 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.508 13.849 18.825 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.890 15.725 19.359 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.306 16.284 18.772 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.782 16.677 17.859 1.00 0.00 H new ATOM 971 N LYS A 62 -4.217 12.909 13.536 1.00 0.00 N ATOM 972 CA LYS A 62 -3.133 12.806 12.566 1.00 0.00 C ATOM 973 C LYS A 62 -3.654 12.317 11.218 1.00 0.00 C ATOM 974 O LYS A 62 -3.470 12.978 10.195 1.00 0.00 O ATOM 975 CB LYS A 62 -2.049 11.856 13.081 1.00 0.00 C ATOM 976 CG LYS A 62 -1.045 12.523 14.005 1.00 0.00 C ATOM 977 CD LYS A 62 0.366 12.018 13.752 1.00 0.00 C ATOM 978 CE LYS A 62 0.557 10.608 14.291 1.00 0.00 C ATOM 979 NZ LYS A 62 1.539 10.571 15.410 1.00 0.00 N ATOM 0 H LYS A 62 -4.789 12.068 13.620 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.704 13.799 12.431 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.523 11.029 13.610 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.519 11.428 12.230 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.077 13.603 13.860 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.321 12.332 15.042 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.572 12.031 12.682 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.084 12.689 14.223 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.401 10.218 14.635 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.897 9.955 13.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.158 9.995 16.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.431 10.154 15.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.715 11.538 15.750 1.00 0.00 H new ATOM 993 N ILE A 63 -4.305 11.159 11.225 1.00 0.00 N ATOM 994 CA ILE A 63 -4.853 10.584 10.003 1.00 0.00 C ATOM 995 C ILE A 63 -5.940 11.479 9.415 1.00 0.00 C ATOM 996 O ILE A 63 -6.266 11.381 8.233 1.00 0.00 O ATOM 997 CB ILE A 63 -5.439 9.182 10.253 1.00 0.00 C ATOM 998 CG1 ILE A 63 -4.325 8.200 10.623 1.00 0.00 C ATOM 999 CG2 ILE A 63 -6.195 8.697 9.026 1.00 0.00 C ATOM 1000 CD1 ILE A 63 -3.988 8.195 12.098 1.00 0.00 C ATOM 0 H ILE A 63 -4.466 10.601 12.063 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.028 10.503 9.295 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.139 9.239 11.086 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.623 7.195 10.323 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.429 8.449 10.055 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.603 7.705 9.219 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.009 9.387 8.804 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.516 8.651 8.175 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.191 7.476 12.287 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.659 9.189 12.399 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.872 7.916 12.672 1.00 0.00 H new ATOM 1012 N ASN A 64 -6.495 12.352 10.248 1.00 0.00 N ATOM 1013 CA ASN A 64 -7.544 13.266 9.811 1.00 0.00 C ATOM 1014 C ASN A 64 -7.170 13.931 8.490 1.00 0.00 C ATOM 1015 O ASN A 64 -8.013 14.109 7.610 1.00 0.00 O ATOM 1016 CB ASN A 64 -7.798 14.332 10.878 1.00 0.00 C ATOM 1017 CG ASN A 64 -6.723 15.401 10.894 1.00 0.00 C ATOM 1018 OD1 ASN A 64 -5.482 14.988 11.126 1.00 0.00 O flip ATOM 1019 ND2 ASN A 64 -7.004 16.584 10.701 1.00 0.00 N flip ATOM 0 H ASN A 64 -6.236 12.446 11.230 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.456 12.688 9.661 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.767 14.798 10.699 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.849 13.857 11.858 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -7.971 16.857 10.527 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -6.269 17.292 10.716 1.00 0.00 H new ATOM 1026 N THR A 65 -5.899 14.296 8.356 1.00 0.00 N ATOM 1027 CA THR A 65 -5.412 14.941 7.144 1.00 0.00 C ATOM 1028 C THR A 65 -4.607 13.970 6.288 1.00 0.00 C ATOM 1029 O THR A 65 -3.653 13.353 6.763 1.00 0.00 O ATOM 1030 CB THR A 65 -4.536 16.165 7.472 1.00 0.00 C ATOM 1031 OG1 THR A 65 -3.232 15.739 7.880 1.00 0.00 O ATOM 1032 CG2 THR A 65 -5.169 17.004 8.572 1.00 0.00 C ATOM 0 H THR A 65 -5.188 14.155 9.073 1.00 0.00 H new ATOM 0 HA THR A 65 -6.290 15.269 6.588 1.00 0.00 H new ATOM 0 HB THR A 65 -4.453 16.776 6.573 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.952 16.251 8.667 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.533 17.863 8.787 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.149 17.351 8.246 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.279 16.400 9.473 1.00 0.00 H new ATOM 1040 N VAL A 66 -4.997 13.838 5.024 1.00 0.00 N ATOM 1041 CA VAL A 66 -4.310 12.942 4.102 1.00 0.00 C ATOM 1042 C VAL A 66 -2.799 13.123 4.182 1.00 0.00 C ATOM 1043 O VAL A 66 -2.038 12.189 3.934 1.00 0.00 O ATOM 1044 CB VAL A 66 -4.767 13.173 2.649 1.00 0.00 C ATOM 1045 CG1 VAL A 66 -3.920 12.357 1.686 1.00 0.00 C ATOM 1046 CG2 VAL A 66 -6.242 12.834 2.495 1.00 0.00 C ATOM 0 H VAL A 66 -5.785 14.340 4.615 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.567 11.925 4.399 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.633 14.227 2.407 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.258 12.533 0.665 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.875 12.654 1.779 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.018 11.298 1.923 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.548 13.003 1.463 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.404 11.788 2.755 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.832 13.468 3.157 1.00 0.00 H new ATOM 1056 N GLN A 67 -2.371 14.333 4.531 1.00 0.00 N ATOM 1057 CA GLN A 67 -0.950 14.637 4.644 1.00 0.00 C ATOM 1058 C GLN A 67 -0.336 13.930 5.848 1.00 0.00 C ATOM 1059 O GLN A 67 0.576 13.115 5.703 1.00 0.00 O ATOM 1060 CB GLN A 67 -0.737 16.147 4.762 1.00 0.00 C ATOM 1061 CG GLN A 67 0.706 16.539 5.036 1.00 0.00 C ATOM 1062 CD GLN A 67 1.644 16.133 3.917 1.00 0.00 C ATOM 1063 OE1 GLN A 67 1.752 16.821 2.902 1.00 0.00 O ATOM 1064 NE2 GLN A 67 2.328 15.009 4.096 1.00 0.00 N ATOM 0 H GLN A 67 -2.988 15.118 4.740 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.455 14.277 3.742 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.065 16.625 3.839 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.368 16.533 5.563 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.764 17.618 5.180 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.034 16.075 5.966 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.207 14.470 4.953 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.974 14.685 3.376 1.00 0.00 H new ATOM 1073 N ASP A 68 -0.841 14.247 7.035 1.00 0.00 N ATOM 1074 CA ASP A 68 -0.342 13.641 8.264 1.00 0.00 C ATOM 1075 C ASP A 68 -0.588 12.135 8.267 1.00 0.00 C ATOM 1076 O ASP A 68 0.169 11.374 8.868 1.00 0.00 O ATOM 1077 CB ASP A 68 -1.012 14.281 9.481 1.00 0.00 C ATOM 1078 CG ASP A 68 -0.381 15.607 9.859 1.00 0.00 C ATOM 1079 OD1 ASP A 68 0.858 15.724 9.758 1.00 0.00 O ATOM 1080 OD2 ASP A 68 -1.126 16.528 10.256 1.00 0.00 O ATOM 0 H ASP A 68 -1.595 14.920 7.172 1.00 0.00 H new ATOM 0 HA ASP A 68 0.733 13.816 8.316 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.071 14.433 9.271 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.949 13.598 10.328 1.00 0.00 H new ATOM 1085 N ALA A 69 -1.652 11.713 7.591 1.00 0.00 N ATOM 1086 CA ALA A 69 -1.997 10.299 7.515 1.00 0.00 C ATOM 1087 C ALA A 69 -0.880 9.497 6.855 1.00 0.00 C ATOM 1088 O ALA A 69 -0.302 8.599 7.468 1.00 0.00 O ATOM 1089 CB ALA A 69 -3.302 10.114 6.755 1.00 0.00 C ATOM 0 H ALA A 69 -2.290 12.330 7.088 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.126 9.926 8.531 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.547 9.053 6.706 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.101 10.648 7.269 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.194 10.508 5.745 1.00 0.00 H new ATOM 1095 N ILE A 70 -0.583 9.826 5.602 1.00 0.00 N ATOM 1096 CA ILE A 70 0.465 9.136 4.860 1.00 0.00 C ATOM 1097 C ILE A 70 1.819 9.298 5.541 1.00 0.00 C ATOM 1098 O ILE A 70 2.701 8.450 5.401 1.00 0.00 O ATOM 1099 CB ILE A 70 0.564 9.654 3.413 1.00 0.00 C ATOM 1100 CG1 ILE A 70 0.916 11.143 3.405 1.00 0.00 C ATOM 1101 CG2 ILE A 70 -0.741 9.409 2.671 1.00 0.00 C ATOM 1102 CD1 ILE A 70 0.927 11.754 2.021 1.00 0.00 C ATOM 0 H ILE A 70 -1.053 10.566 5.080 1.00 0.00 H new ATOM 0 HA ILE A 70 0.196 8.080 4.841 1.00 0.00 H new ATOM 0 HB ILE A 70 1.357 9.109 2.901 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.199 11.681 4.025 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.897 11.279 3.861 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.654 9.781 1.650 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.953 8.340 2.651 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.552 9.930 3.179 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.184 12.811 2.092 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.664 11.242 1.403 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.060 11.650 1.570 1.00 0.00 H new ATOM 1114 N ASP A 71 1.977 10.391 6.279 1.00 0.00 N ATOM 1115 CA ASP A 71 3.223 10.664 6.984 1.00 0.00 C ATOM 1116 C ASP A 71 3.294 9.875 8.288 1.00 0.00 C ATOM 1117 O ASP A 71 4.377 9.627 8.817 1.00 0.00 O ATOM 1118 CB ASP A 71 3.354 12.161 7.272 1.00 0.00 C ATOM 1119 CG ASP A 71 4.792 12.583 7.499 1.00 0.00 C ATOM 1120 OD1 ASP A 71 5.657 12.205 6.682 1.00 0.00 O ATOM 1121 OD2 ASP A 71 5.053 13.291 8.495 1.00 0.00 O ATOM 0 H ASP A 71 1.257 11.103 6.404 1.00 0.00 H new ATOM 0 HA ASP A 71 4.049 10.351 6.345 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.940 12.726 6.437 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.762 12.412 8.152 1.00 0.00 H new ATOM 1126 N TYR A 72 2.132 9.484 8.800 1.00 0.00 N ATOM 1127 CA TYR A 72 2.062 8.727 10.044 1.00 0.00 C ATOM 1128 C TYR A 72 2.388 7.255 9.805 1.00 0.00 C ATOM 1129 O TYR A 72 2.971 6.590 10.661 1.00 0.00 O ATOM 1130 CB TYR A 72 0.671 8.857 10.667 1.00 0.00 C ATOM 1131 CG TYR A 72 0.035 7.530 11.012 1.00 0.00 C ATOM 1132 CD1 TYR A 72 0.474 6.789 12.103 1.00 0.00 C ATOM 1133 CD2 TYR A 72 -1.006 7.017 10.248 1.00 0.00 C ATOM 1134 CE1 TYR A 72 -0.104 5.575 12.421 1.00 0.00 C ATOM 1135 CE2 TYR A 72 -1.591 5.805 10.560 1.00 0.00 C ATOM 1136 CZ TYR A 72 -1.136 5.088 11.647 1.00 0.00 C ATOM 1137 OH TYR A 72 -1.716 3.880 11.961 1.00 0.00 O ATOM 0 H TYR A 72 1.226 9.679 8.373 1.00 0.00 H new ATOM 0 HA TYR A 72 2.801 9.138 10.732 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.742 9.462 11.571 1.00 0.00 H new ATOM 0 HB3 TYR A 72 0.021 9.393 9.975 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.281 7.169 12.713 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.364 7.575 9.396 1.00 0.00 H new ATOM 0 HE1 TYR A 72 0.250 5.011 13.271 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -2.400 5.421 9.956 1.00 0.00 H new ATOM 0 HH TYR A 72 -2.428 3.682 11.318 1.00 0.00 H new ATOM 1147 N ILE A 73 2.008 6.755 8.634 1.00 0.00 N ATOM 1148 CA ILE A 73 2.261 5.364 8.280 1.00 0.00 C ATOM 1149 C ILE A 73 3.659 5.190 7.698 1.00 0.00 C ATOM 1150 O ILE A 73 4.274 4.134 7.840 1.00 0.00 O ATOM 1151 CB ILE A 73 1.226 4.844 7.265 1.00 0.00 C ATOM 1152 CG1 ILE A 73 1.436 5.510 5.903 1.00 0.00 C ATOM 1153 CG2 ILE A 73 -0.186 5.096 7.772 1.00 0.00 C ATOM 1154 CD1 ILE A 73 2.272 4.687 4.950 1.00 0.00 C ATOM 0 H ILE A 73 1.524 7.292 7.915 1.00 0.00 H new ATOM 0 HA ILE A 73 2.179 4.785 9.200 1.00 0.00 H new ATOM 0 HB ILE A 73 1.362 3.769 7.148 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.464 5.702 5.448 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.915 6.478 6.051 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.906 4.723 7.044 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.329 4.580 8.721 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.336 6.166 7.915 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.379 5.221 4.006 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.257 4.517 5.384 1.00 0.00 H new ATOM 0 HD13 ILE A 73 1.784 3.729 4.772 1.00 0.00 H new ATOM 1166 N GLU A 74 4.156 6.235 7.044 1.00 0.00 N ATOM 1167 CA GLU A 74 5.484 6.198 6.441 1.00 0.00 C ATOM 1168 C GLU A 74 6.566 6.417 7.495 1.00 0.00 C ATOM 1169 O GLU A 74 7.667 5.875 7.393 1.00 0.00 O ATOM 1170 CB GLU A 74 5.601 7.260 5.346 1.00 0.00 C ATOM 1171 CG GLU A 74 4.896 6.882 4.054 1.00 0.00 C ATOM 1172 CD GLU A 74 5.847 6.791 2.876 1.00 0.00 C ATOM 1173 OE1 GLU A 74 6.856 6.064 2.984 1.00 0.00 O ATOM 1174 OE2 GLU A 74 5.582 7.448 1.847 1.00 0.00 O ATOM 0 H GLU A 74 3.660 7.117 6.918 1.00 0.00 H new ATOM 0 HA GLU A 74 5.627 5.212 5.998 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.186 8.198 5.715 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.656 7.439 5.136 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.394 5.924 4.185 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.124 7.620 3.837 1.00 0.00 H new ATOM 1181 N LYS A 75 6.245 7.216 8.507 1.00 0.00 N ATOM 1182 CA LYS A 75 7.188 7.507 9.580 1.00 0.00 C ATOM 1183 C LYS A 75 7.278 6.339 10.557 1.00 0.00 C ATOM 1184 O LYS A 75 8.346 6.048 11.094 1.00 0.00 O ATOM 1185 CB LYS A 75 6.768 8.777 10.324 1.00 0.00 C ATOM 1186 CG LYS A 75 5.559 8.584 11.223 1.00 0.00 C ATOM 1187 CD LYS A 75 5.969 8.211 12.638 1.00 0.00 C ATOM 1188 CE LYS A 75 5.840 9.393 13.586 1.00 0.00 C ATOM 1189 NZ LYS A 75 5.446 8.965 14.956 1.00 0.00 N ATOM 0 H LYS A 75 5.339 7.674 8.606 1.00 0.00 H new ATOM 0 HA LYS A 75 8.171 7.662 9.135 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.606 9.129 10.926 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.548 9.558 9.596 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.970 9.501 11.244 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.919 7.804 10.811 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.347 7.389 12.993 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.999 7.855 12.637 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.789 9.927 13.631 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.099 10.091 13.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.369 9.800 15.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.528 8.477 14.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.165 8.318 15.338 1.00 0.00 H new ATOM 1203 N ASN A 76 6.150 5.673 10.782 1.00 0.00 N ATOM 1204 CA ASN A 76 6.102 4.536 11.694 1.00 0.00 C ATOM 1205 C ASN A 76 6.287 3.224 10.938 1.00 0.00 C ATOM 1206 O ASN A 76 7.295 2.538 11.102 1.00 0.00 O ATOM 1207 CB ASN A 76 4.773 4.518 12.451 1.00 0.00 C ATOM 1208 CG ASN A 76 4.330 3.112 12.807 1.00 0.00 C ATOM 1209 OD1 ASN A 76 4.929 2.457 13.661 1.00 0.00 O ATOM 1210 ND2 ASN A 76 3.274 2.641 12.153 1.00 0.00 N ATOM 0 H ASN A 76 5.257 5.901 10.345 1.00 0.00 H new ATOM 0 HA ASN A 76 6.918 4.641 12.409 1.00 0.00 H new ATOM 0 HB2 ASN A 76 4.869 5.108 13.363 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.005 4.995 11.842 1.00 0.00 H new ATOM 0 HD21 ASN A 76 2.929 1.702 12.351 1.00 0.00 H new ATOM 0 HD22 ASN A 76 2.808 3.219 11.453 1.00 0.00 H new ATOM 1217 N ASN A 77 5.307 2.882 10.108 1.00 0.00 N ATOM 1218 CA ASN A 77 5.362 1.653 9.325 1.00 0.00 C ATOM 1219 C ASN A 77 6.338 1.792 8.161 1.00 0.00 C ATOM 1220 O ASN A 77 6.533 2.883 7.626 1.00 0.00 O ATOM 1221 CB ASN A 77 3.970 1.297 8.799 1.00 0.00 C ATOM 1222 CG ASN A 77 4.022 0.598 7.454 1.00 0.00 C ATOM 1223 OD1 ASN A 77 4.056 -0.630 7.381 1.00 0.00 O ATOM 1224 ND2 ASN A 77 4.029 1.380 6.381 1.00 0.00 N ATOM 0 H ASN A 77 4.465 3.439 9.960 1.00 0.00 H new ATOM 0 HA ASN A 77 5.713 0.852 9.976 1.00 0.00 H new ATOM 0 HB2 ASN A 77 3.465 0.654 9.520 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.375 2.206 8.710 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.064 0.967 5.449 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.000 2.394 6.489 1.00 0.00 H new ATOM 1231 N LYS A 78 6.949 0.678 7.773 1.00 0.00 N ATOM 1232 CA LYS A 78 7.904 0.673 6.671 1.00 0.00 C ATOM 1233 C LYS A 78 7.713 -0.558 5.791 1.00 0.00 C ATOM 1234 O LYS A 78 8.651 -1.019 5.141 1.00 0.00 O ATOM 1235 CB LYS A 78 9.336 0.710 7.210 1.00 0.00 C ATOM 1236 CG LYS A 78 9.581 -0.258 8.354 1.00 0.00 C ATOM 1237 CD LYS A 78 11.007 -0.162 8.870 1.00 0.00 C ATOM 1238 CE LYS A 78 11.882 -1.268 8.301 1.00 0.00 C ATOM 1239 NZ LYS A 78 12.797 -1.837 9.329 1.00 0.00 N ATOM 0 H LYS A 78 6.800 -0.234 8.206 1.00 0.00 H new ATOM 0 HA LYS A 78 7.727 1.562 6.066 1.00 0.00 H new ATOM 0 HB2 LYS A 78 10.027 0.482 6.398 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.562 1.722 7.547 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.885 -0.047 9.166 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.382 -1.276 8.019 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.427 0.808 8.604 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.006 -0.221 9.958 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.250 -2.060 7.899 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.469 -0.876 7.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.376 -2.587 8.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.418 -1.087 9.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.237 -2.235 10.110 1.00 0.00 H new ATOM 1253 N GLN A 79 6.493 -1.085 5.775 1.00 0.00 N ATOM 1254 CA GLN A 79 6.180 -2.262 4.973 1.00 0.00 C ATOM 1255 C GLN A 79 4.765 -2.178 4.411 1.00 0.00 C ATOM 1256 O GLN A 79 4.332 -1.123 3.945 1.00 0.00 O ATOM 1257 CB GLN A 79 6.334 -3.532 5.812 1.00 0.00 C ATOM 1258 CG GLN A 79 5.438 -3.563 7.040 1.00 0.00 C ATOM 1259 CD GLN A 79 4.025 -4.010 6.719 1.00 0.00 C ATOM 1260 OE1 GLN A 79 3.819 -4.974 5.982 1.00 0.00 O ATOM 1261 NE2 GLN A 79 3.042 -3.310 7.274 1.00 0.00 N ATOM 0 H GLN A 79 5.706 -0.716 6.308 1.00 0.00 H new ATOM 0 HA GLN A 79 6.880 -2.299 4.139 1.00 0.00 H new ATOM 0 HB2 GLN A 79 6.112 -4.398 5.189 1.00 0.00 H new ATOM 0 HB3 GLN A 79 7.373 -3.625 6.128 1.00 0.00 H new ATOM 0 HG2 GLN A 79 5.868 -4.235 7.782 1.00 0.00 H new ATOM 0 HG3 GLN A 79 5.408 -2.570 7.489 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.259 -2.518 7.879 1.00 0.00 H new ATOM 0 HE22 GLN A 79 2.071 -3.565 7.095 1.00 0.00 H new TER 1270 GLN A 79 HETATM 1271 P24 PNS A 137 -19.111 10.318 19.370 1.00 0.00 P HETATM 1272 O25 PNS A 137 -19.772 9.222 20.353 1.00 0.00 O HETATM 1273 O26 PNS A 137 -18.296 11.317 20.095 1.00 0.00 O HETATM 1274 O27 PNS A 137 -20.339 10.956 18.544 1.00 0.00 O HETATM 1275 C28 PNS A 137 -20.283 12.280 18.003 1.00 0.00 C HETATM 1276 C29 PNS A 137 -21.427 12.596 17.017 1.00 0.00 C HETATM 1277 C30 PNS A 137 -22.773 12.281 17.697 1.00 0.00 C HETATM 1278 C31 PNS A 137 -21.250 11.685 15.785 1.00 0.00 C HETATM 1279 C32 PNS A 137 -21.298 14.087 16.623 1.00 0.00 C HETATM 1280 O33 PNS A 137 -21.486 14.938 17.759 1.00 0.00 O HETATM 1281 C34 PNS A 137 -22.262 14.585 15.516 1.00 0.00 C HETATM 1282 O35 PNS A 137 -23.339 14.024 15.291 1.00 0.00 O HETATM 1283 N36 PNS A 137 -21.922 15.663 14.798 1.00 0.00 N HETATM 1284 C37 PNS A 137 -20.700 16.475 14.964 1.00 0.00 C HETATM 1285 C38 PNS A 137 -20.882 17.798 14.214 1.00 0.00 C HETATM 1286 C39 PNS A 137 -19.758 18.800 14.557 1.00 0.00 C HETATM 1287 O40 PNS A 137 -19.744 19.308 15.679 1.00 0.00 O HETATM 1288 N41 PNS A 137 -18.827 19.088 13.638 1.00 0.00 N HETATM 1289 C42 PNS A 137 -18.733 18.565 12.260 1.00 0.00 C HETATM 1290 C43 PNS A 137 -17.478 19.111 11.579 1.00 0.00 C HETATM 1291 S44 PNS A 137 -17.477 20.934 11.386 1.00 0.00 S HETATM 0 H432 PNS A 137 -16.603 18.816 12.159 1.00 0.00 H new HETATM 0 H431 PNS A 137 -17.379 18.651 10.596 1.00 0.00 H new HETATM 0 H422 PNS A 137 -19.619 18.851 11.692 1.00 0.00 H new HETATM 0 H421 PNS A 137 -18.703 17.476 12.277 1.00 0.00 H new HETATM 0 H382 PNS A 137 -21.849 18.232 14.469 1.00 0.00 H new HETATM 0 H381 PNS A 137 -20.890 17.611 13.140 1.00 0.00 H new HETATM 0 H372 PNS A 137 -19.834 15.938 14.577 1.00 0.00 H new HETATM 0 H371 PNS A 137 -20.512 16.663 16.021 1.00 0.00 H new HETATM 0 H313 PNS A 137 -22.046 11.885 15.067 1.00 0.00 H new HETATM 0 H312 PNS A 137 -21.295 10.641 16.095 1.00 0.00 H new HETATM 0 H311 PNS A 137 -20.284 11.884 15.321 1.00 0.00 H new HETATM 0 H303 PNS A 137 -23.589 12.501 17.008 1.00 0.00 H new HETATM 0 H302 PNS A 137 -22.880 12.892 18.593 1.00 0.00 H new HETATM 0 H301 PNS A 137 -22.804 11.227 17.971 1.00 0.00 H new HETATM 0 H282 PNS A 137 -19.329 12.415 17.494 1.00 0.00 H new HETATM 0 H281 PNS A 137 -20.312 12.999 18.822 1.00 0.00 H new HETATM 0 H44 PNS A 137 -16.377 21.308 10.803 1.00 0.00 H new HETATM 0 H41 PNS A 137 -18.099 19.744 13.923 1.00 0.00 H new HETATM 0 H36 PNS A 137 -22.570 15.951 14.065 1.00 0.00 H new HETATM 0 H33 PNS A 137 -22.394 15.306 17.745 1.00 0.00 H new HETATM 0 H32 PNS A 137 -20.287 14.145 16.220 1.00 0.00 H new