USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 850 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 23 TYR OH : rot 180:sc= -0.69 USER MOD Set 1.2: A 29 ASN : amide:sc= -7.21! C(o=-7.9!,f=-8.1!) USER MOD Set 2.1: A 20 GLN :FLIP amide:sc= -9.28! C(o=-10!,f=-9.1!) USER MOD Set 2.2: A 24 TYR OH : rot -106:sc= 0.148 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN :FLIP amide:sc= -7.07! C(o=-9.4!,f=-7.1!) USER MOD Single : A 7 ASN : amide:sc= -0.208 K(o=-0.21,f=-8!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl 156:sc= -0.164 (180deg=-1.13) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot 90:sc= 1.28 USER MOD Single : A 19 HIS : no HD1:sc= -0.212 X(o=-0.21,f=-0.51) USER MOD Single : A 34 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.00245) USER MOD Single : A 37 LYS NZ :NH3+ -143:sc= -0.0746 (180deg=-1.34) USER MOD Single : A 39 GLN :FLIP amide:sc= -3.54! C(o=-5.1!,f=-3.5!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl -138:sc= -0.756 (180deg=-1.48) USER MOD Single : A 54 LYS NZ :NH3+ -111:sc= 0 (180deg=-0.159) USER MOD Single : A 56 ASN : amide:sc= -2.83! C(o=-2.8!,f=-6.3!) USER MOD Single : A 59 ASN : amide:sc= -3.24! C(o=-3.2!,f=-6.4!) USER MOD Single : A 62 THR OG1 : rot -46:sc= -2.8! USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.227 USER MOD Single : A 66 ASN : amide:sc= 0.182 K(o=0.18,f=-2.9!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot -84:sc=0.000291 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 158:sc= -4.22! (180deg=-5.37!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -134:sc= 0.184 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -130:sc= -7.29! (180deg=-14.3!) USER MOD Single : A 92 SER OG : rot 177:sc= -1.21! USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -159:sc= -0.507 (180deg=-1.52) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.0144 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.021 -13.129 -2.521 1.00 0.00 N ATOM 2 CA MET A 1 -16.302 -13.552 -1.885 1.00 0.00 C ATOM 3 C MET A 1 -16.125 -14.904 -1.188 1.00 0.00 C ATOM 4 O MET A 1 -16.361 -15.037 -0.004 1.00 0.00 O ATOM 5 CB MET A 1 -17.297 -13.670 -3.040 1.00 0.00 C ATOM 6 CG MET A 1 -18.338 -12.555 -2.933 1.00 0.00 C ATOM 7 SD MET A 1 -17.908 -11.217 -4.074 1.00 0.00 S ATOM 8 CE MET A 1 -19.597 -10.716 -4.485 1.00 0.00 C ATOM 0 H1 MET A 1 -15.153 -12.211 -2.991 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.284 -13.042 -1.793 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.731 -13.839 -3.224 1.00 0.00 H new ATOM 0 HA MET A 1 -16.640 -12.846 -1.126 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.773 -13.603 -3.993 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.787 -14.643 -3.014 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.329 -12.944 -3.168 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.378 -12.177 -1.911 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.569 -9.886 -5.191 1.00 0.00 H new ATOM 0 HE2 MET A 1 -20.127 -11.556 -4.934 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.115 -10.404 -3.578 1.00 0.00 H new ATOM 20 N ALA A 2 -15.712 -15.906 -1.913 1.00 0.00 N ATOM 21 CA ALA A 2 -15.524 -17.248 -1.291 1.00 0.00 C ATOM 22 C ALA A 2 -16.791 -17.666 -0.540 1.00 0.00 C ATOM 23 O ALA A 2 -17.893 -17.348 -0.940 1.00 0.00 O ATOM 24 CB ALA A 2 -14.357 -17.072 -0.317 1.00 0.00 C ATOM 0 H ALA A 2 -15.496 -15.855 -2.909 1.00 0.00 H new ATOM 0 HA ALA A 2 -15.325 -18.022 -2.032 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.155 -18.019 0.184 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -13.470 -16.755 -0.865 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -14.614 -16.317 0.426 1.00 0.00 H new ATOM 30 N GLU A 3 -16.642 -18.375 0.545 1.00 0.00 N ATOM 31 CA GLU A 3 -17.840 -18.811 1.320 1.00 0.00 C ATOM 32 C GLU A 3 -17.930 -18.033 2.637 1.00 0.00 C ATOM 33 O GLU A 3 -16.979 -17.959 3.388 1.00 0.00 O ATOM 34 CB GLU A 3 -17.616 -20.300 1.590 1.00 0.00 C ATOM 35 CG GLU A 3 -18.642 -21.120 0.805 1.00 0.00 C ATOM 36 CD GLU A 3 -18.514 -20.806 -0.687 1.00 0.00 C ATOM 37 OE1 GLU A 3 -17.514 -21.190 -1.270 1.00 0.00 O ATOM 38 OE2 GLU A 3 -19.418 -20.185 -1.221 1.00 0.00 O ATOM 0 H GLU A 3 -15.745 -18.671 0.929 1.00 0.00 H new ATOM 0 HA GLU A 3 -18.770 -18.630 0.781 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -16.606 -20.586 1.298 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -17.709 -20.505 2.656 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -18.482 -22.184 0.978 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -19.649 -20.889 1.151 1.00 0.00 H new ATOM 45 N ASN A 4 -19.067 -17.453 2.915 1.00 0.00 N ATOM 46 CA ASN A 4 -19.227 -16.675 4.180 1.00 0.00 C ATOM 47 C ASN A 4 -17.926 -15.944 4.527 1.00 0.00 C ATOM 48 O ASN A 4 -17.158 -16.384 5.359 1.00 0.00 O ATOM 49 CB ASN A 4 -19.562 -17.716 5.250 1.00 0.00 C ATOM 50 CG ASN A 4 -18.478 -18.795 5.277 1.00 0.00 C ATOM 51 OD1 ASN A 4 -18.622 -19.864 4.544 1.00 0.00 O flip ATOM 52 ND2 ASN A 4 -17.490 -18.662 5.972 1.00 0.00 N flip ATOM 0 H ASN A 4 -19.895 -17.484 2.320 1.00 0.00 H new ATOM 0 HA ASN A 4 -20.002 -15.913 4.097 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -19.636 -17.237 6.226 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -20.532 -18.167 5.041 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -17.378 -17.826 6.545 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -16.772 -19.387 5.982 1.00 0.00 H new ATOM 59 N GLY A 5 -17.676 -14.832 3.894 1.00 0.00 N ATOM 60 CA GLY A 5 -16.428 -14.072 4.186 1.00 0.00 C ATOM 61 C GLY A 5 -16.736 -12.573 4.213 1.00 0.00 C ATOM 62 O GLY A 5 -16.195 -11.833 5.010 1.00 0.00 O ATOM 0 H GLY A 5 -18.282 -14.416 3.187 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -16.014 -14.386 5.144 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -15.674 -14.285 3.428 1.00 0.00 H new ATOM 66 N ASP A 6 -17.602 -12.121 3.348 1.00 0.00 N ATOM 67 CA ASP A 6 -17.945 -10.669 3.325 1.00 0.00 C ATOM 68 C ASP A 6 -16.731 -9.845 2.889 1.00 0.00 C ATOM 69 O ASP A 6 -15.611 -10.314 2.907 1.00 0.00 O ATOM 70 CB ASP A 6 -18.335 -10.331 4.763 1.00 0.00 C ATOM 71 CG ASP A 6 -19.681 -9.604 4.771 1.00 0.00 C ATOM 72 OD1 ASP A 6 -20.076 -9.120 3.723 1.00 0.00 O ATOM 73 OD2 ASP A 6 -20.294 -9.543 5.824 1.00 0.00 O ATOM 0 H ASP A 6 -18.087 -12.693 2.656 1.00 0.00 H new ATOM 0 HA ASP A 6 -18.748 -10.446 2.622 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -18.399 -11.243 5.357 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -17.569 -9.705 5.221 1.00 0.00 H new ATOM 78 N ASN A 7 -16.945 -8.618 2.499 1.00 0.00 N ATOM 79 CA ASN A 7 -15.803 -7.764 2.064 1.00 0.00 C ATOM 80 C ASN A 7 -15.472 -6.732 3.145 1.00 0.00 C ATOM 81 O ASN A 7 -14.728 -5.798 2.919 1.00 0.00 O ATOM 82 CB ASN A 7 -16.291 -7.071 0.790 1.00 0.00 C ATOM 83 CG ASN A 7 -17.643 -6.408 1.057 1.00 0.00 C ATOM 84 OD1 ASN A 7 -18.091 -6.346 2.184 1.00 0.00 O ATOM 85 ND2 ASN A 7 -18.316 -5.904 0.058 1.00 0.00 N ATOM 0 H ASN A 7 -17.861 -8.170 2.463 1.00 0.00 H new ATOM 0 HA ASN A 7 -14.896 -8.343 1.891 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -15.565 -6.324 0.468 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -16.383 -7.796 -0.019 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -19.218 -5.458 0.224 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -17.940 -5.956 -0.889 1.00 0.00 H new ATOM 92 N GLU A 8 -16.020 -6.892 4.318 1.00 0.00 N ATOM 93 CA GLU A 8 -15.735 -5.919 5.413 1.00 0.00 C ATOM 94 C GLU A 8 -14.246 -5.944 5.766 1.00 0.00 C ATOM 95 O GLU A 8 -13.594 -4.920 5.821 1.00 0.00 O ATOM 96 CB GLU A 8 -16.577 -6.397 6.597 1.00 0.00 C ATOM 97 CG GLU A 8 -17.465 -5.252 7.087 1.00 0.00 C ATOM 98 CD GLU A 8 -18.390 -5.761 8.195 1.00 0.00 C ATOM 99 OE1 GLU A 8 -17.939 -6.566 8.992 1.00 0.00 O ATOM 100 OE2 GLU A 8 -19.533 -5.337 8.227 1.00 0.00 O ATOM 0 H GLU A 8 -16.652 -7.653 4.567 1.00 0.00 H new ATOM 0 HA GLU A 8 -15.977 -4.895 5.130 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -17.192 -7.247 6.300 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -15.928 -6.739 7.404 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -16.849 -4.434 7.460 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -18.054 -4.855 6.260 1.00 0.00 H new ATOM 107 N LYS A 9 -13.702 -7.106 6.007 1.00 0.00 N ATOM 108 CA LYS A 9 -12.255 -7.194 6.356 1.00 0.00 C ATOM 109 C LYS A 9 -11.411 -6.518 5.272 1.00 0.00 C ATOM 110 O LYS A 9 -10.469 -5.807 5.560 1.00 0.00 O ATOM 111 CB LYS A 9 -11.953 -8.692 6.415 1.00 0.00 C ATOM 112 CG LYS A 9 -12.115 -9.189 7.853 1.00 0.00 C ATOM 113 CD LYS A 9 -12.492 -10.672 7.842 1.00 0.00 C ATOM 114 CE LYS A 9 -11.252 -11.512 7.529 1.00 0.00 C ATOM 115 NZ LYS A 9 -11.778 -12.745 6.880 1.00 0.00 N ATOM 0 H LYS A 9 -14.197 -7.998 5.977 1.00 0.00 H new ATOM 0 HA LYS A 9 -12.024 -6.695 7.297 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.627 -9.236 5.753 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.939 -8.883 6.065 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.187 -9.043 8.406 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -12.885 -8.611 8.364 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -12.905 -10.960 8.809 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -13.266 -10.856 7.097 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.570 -10.978 6.868 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.696 -11.749 8.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -10.986 -13.373 6.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.419 -13.236 7.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.296 -12.488 6.016 1.00 0.00 H new ATOM 129 N MET A 10 -11.742 -6.733 4.029 1.00 0.00 N ATOM 130 CA MET A 10 -10.961 -6.102 2.928 1.00 0.00 C ATOM 131 C MET A 10 -10.989 -4.580 3.067 1.00 0.00 C ATOM 132 O MET A 10 -10.018 -3.902 2.791 1.00 0.00 O ATOM 133 CB MET A 10 -11.660 -6.539 1.640 1.00 0.00 C ATOM 134 CG MET A 10 -10.621 -6.727 0.533 1.00 0.00 C ATOM 135 SD MET A 10 -11.394 -7.536 -0.889 1.00 0.00 S ATOM 136 CE MET A 10 -12.583 -6.228 -1.274 1.00 0.00 C ATOM 0 H MET A 10 -12.521 -7.319 3.728 1.00 0.00 H new ATOM 0 HA MET A 10 -9.913 -6.402 2.941 1.00 0.00 H new ATOM 0 HB2 MET A 10 -12.202 -7.470 1.806 1.00 0.00 H new ATOM 0 HB3 MET A 10 -12.394 -5.791 1.341 1.00 0.00 H new ATOM 0 HG2 MET A 10 -10.211 -5.762 0.237 1.00 0.00 H new ATOM 0 HG3 MET A 10 -9.789 -7.328 0.899 1.00 0.00 H new ATOM 0 HE1 MET A 10 -12.869 -6.294 -2.324 1.00 0.00 H new ATOM 0 HE2 MET A 10 -13.468 -6.345 -0.648 1.00 0.00 H new ATOM 0 HE3 MET A 10 -12.129 -5.256 -1.082 1.00 0.00 H new ATOM 146 N ALA A 11 -12.094 -4.039 3.494 1.00 0.00 N ATOM 147 CA ALA A 11 -12.184 -2.559 3.654 1.00 0.00 C ATOM 148 C ALA A 11 -11.106 -2.076 4.627 1.00 0.00 C ATOM 149 O ALA A 11 -10.405 -1.119 4.367 1.00 0.00 O ATOM 150 CB ALA A 11 -13.579 -2.305 4.226 1.00 0.00 C ATOM 0 H ALA A 11 -12.939 -4.555 3.739 1.00 0.00 H new ATOM 0 HA ALA A 11 -12.030 -2.028 2.715 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -13.723 -1.235 4.373 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -14.331 -2.680 3.532 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -13.679 -2.819 5.182 1.00 0.00 H new ATOM 156 N ALA A 12 -10.961 -2.740 5.741 1.00 0.00 N ATOM 157 CA ALA A 12 -9.921 -2.327 6.723 1.00 0.00 C ATOM 158 C ALA A 12 -8.531 -2.657 6.171 1.00 0.00 C ATOM 159 O ALA A 12 -7.569 -1.958 6.421 1.00 0.00 O ATOM 160 CB ALA A 12 -10.210 -3.148 7.980 1.00 0.00 C ATOM 0 H ALA A 12 -11.518 -3.550 6.013 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.942 -1.257 6.929 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.483 -2.899 8.753 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -11.214 -2.921 8.340 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.140 -4.210 7.745 1.00 0.00 H new ATOM 166 N LEU A 13 -8.422 -3.717 5.416 1.00 0.00 N ATOM 167 CA LEU A 13 -7.099 -4.091 4.840 1.00 0.00 C ATOM 168 C LEU A 13 -6.654 -3.038 3.823 1.00 0.00 C ATOM 169 O LEU A 13 -5.508 -2.635 3.791 1.00 0.00 O ATOM 170 CB LEU A 13 -7.333 -5.437 4.152 1.00 0.00 C ATOM 171 CG LEU A 13 -6.104 -5.807 3.321 1.00 0.00 C ATOM 172 CD1 LEU A 13 -5.707 -7.256 3.614 1.00 0.00 C ATOM 173 CD2 LEU A 13 -6.434 -5.663 1.834 1.00 0.00 C ATOM 0 H LEU A 13 -9.192 -4.340 5.173 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.318 -4.153 5.598 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.527 -6.209 4.897 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.214 -5.382 3.513 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.278 -5.144 3.578 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.831 -7.520 3.022 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.474 -7.362 4.674 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.533 -7.919 3.356 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.559 -5.926 1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.259 -6.327 1.578 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.719 -4.632 1.623 1.00 0.00 H new ATOM 185 N GLU A 14 -7.556 -2.585 2.995 1.00 0.00 N ATOM 186 CA GLU A 14 -7.189 -1.554 1.982 1.00 0.00 C ATOM 187 C GLU A 14 -6.678 -0.294 2.680 1.00 0.00 C ATOM 188 O GLU A 14 -5.669 0.272 2.307 1.00 0.00 O ATOM 189 CB GLU A 14 -8.489 -1.258 1.235 1.00 0.00 C ATOM 190 CG GLU A 14 -8.214 -0.265 0.104 1.00 0.00 C ATOM 191 CD GLU A 14 -9.181 0.915 0.213 1.00 0.00 C ATOM 192 OE1 GLU A 14 -10.367 0.672 0.356 1.00 0.00 O ATOM 193 OE2 GLU A 14 -8.718 2.042 0.153 1.00 0.00 O ATOM 0 H GLU A 14 -8.531 -2.884 2.976 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.399 -1.892 1.311 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.906 -2.180 0.830 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -9.230 -0.848 1.921 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.184 0.089 0.159 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.331 -0.756 -0.862 1.00 0.00 H new ATOM 200 N ALA A 15 -7.368 0.149 3.693 1.00 0.00 N ATOM 201 CA ALA A 15 -6.928 1.371 4.421 1.00 0.00 C ATOM 202 C ALA A 15 -5.627 1.093 5.178 1.00 0.00 C ATOM 203 O ALA A 15 -4.768 1.946 5.289 1.00 0.00 O ATOM 204 CB ALA A 15 -8.065 1.674 5.394 1.00 0.00 C ATOM 0 H ALA A 15 -8.220 -0.284 4.049 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.730 2.208 3.752 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.821 2.565 5.973 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.986 1.845 4.836 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.202 0.829 6.069 1.00 0.00 H new ATOM 210 N LYS A 16 -5.473 -0.094 5.698 1.00 0.00 N ATOM 211 CA LYS A 16 -4.225 -0.423 6.442 1.00 0.00 C ATOM 212 C LYS A 16 -3.011 -0.218 5.534 1.00 0.00 C ATOM 213 O LYS A 16 -1.983 0.278 5.953 1.00 0.00 O ATOM 214 CB LYS A 16 -4.368 -1.897 6.828 1.00 0.00 C ATOM 215 CG LYS A 16 -4.510 -2.016 8.346 1.00 0.00 C ATOM 216 CD LYS A 16 -3.370 -1.255 9.027 1.00 0.00 C ATOM 217 CE LYS A 16 -3.001 -1.951 10.339 1.00 0.00 C ATOM 218 NZ LYS A 16 -1.797 -1.226 10.832 1.00 0.00 N ATOM 0 H LYS A 16 -6.156 -0.849 5.640 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.082 0.210 7.317 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.239 -2.330 6.336 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.498 -2.459 6.488 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.471 -1.613 8.665 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.490 -3.065 8.643 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.502 -1.214 8.369 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.671 -0.226 9.222 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.818 -1.896 11.059 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.788 -3.008 10.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.483 -1.645 11.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.034 -1.302 10.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.032 -0.224 10.981 1.00 0.00 H new ATOM 232 N ILE A 17 -3.125 -0.594 4.289 1.00 0.00 N ATOM 233 CA ILE A 17 -1.984 -0.417 3.347 1.00 0.00 C ATOM 234 C ILE A 17 -1.739 1.073 3.097 1.00 0.00 C ATOM 235 O ILE A 17 -0.623 1.506 2.891 1.00 0.00 O ATOM 236 CB ILE A 17 -2.426 -1.116 2.062 1.00 0.00 C ATOM 237 CG1 ILE A 17 -2.782 -2.572 2.376 1.00 0.00 C ATOM 238 CG2 ILE A 17 -1.289 -1.078 1.040 1.00 0.00 C ATOM 239 CD1 ILE A 17 -3.555 -3.177 1.203 1.00 0.00 C ATOM 0 H ILE A 17 -3.960 -1.017 3.884 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.053 -0.830 3.734 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.297 -0.606 1.651 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.875 -3.147 2.561 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.382 -2.622 3.284 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.606 -1.577 0.124 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.033 -0.042 0.819 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.416 -1.588 1.448 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.807 -4.213 1.429 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.470 -2.608 1.039 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.939 -3.141 0.304 1.00 0.00 H new ATOM 251 N CYS A 18 -2.779 1.859 3.110 1.00 0.00 N ATOM 252 CA CYS A 18 -2.615 3.323 2.877 1.00 0.00 C ATOM 253 C CYS A 18 -1.996 3.998 4.107 1.00 0.00 C ATOM 254 O CYS A 18 -1.163 4.874 3.992 1.00 0.00 O ATOM 255 CB CYS A 18 -4.031 3.845 2.634 1.00 0.00 C ATOM 256 SG CYS A 18 -4.813 2.882 1.316 1.00 0.00 S ATOM 0 H CYS A 18 -3.738 1.551 3.272 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.951 3.533 2.038 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.619 3.773 3.549 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -3.999 4.899 2.358 1.00 0.00 H new ATOM 0 HG CYS A 18 -5.440 1.868 1.833 1.00 0.00 H new ATOM 262 N HIS A 19 -2.409 3.605 5.283 1.00 0.00 N ATOM 263 CA HIS A 19 -1.858 4.233 6.521 1.00 0.00 C ATOM 264 C HIS A 19 -0.396 3.831 6.733 1.00 0.00 C ATOM 265 O HIS A 19 0.419 4.635 7.143 1.00 0.00 O ATOM 266 CB HIS A 19 -2.728 3.699 7.658 1.00 0.00 C ATOM 267 CG HIS A 19 -2.898 4.768 8.704 1.00 0.00 C ATOM 268 ND1 HIS A 19 -2.102 5.901 8.738 1.00 0.00 N ATOM 269 CD2 HIS A 19 -3.768 4.888 9.759 1.00 0.00 C ATOM 270 CE1 HIS A 19 -2.505 6.648 9.784 1.00 0.00 C ATOM 271 NE2 HIS A 19 -3.518 6.075 10.440 1.00 0.00 N ATOM 0 H HIS A 19 -3.105 2.876 5.440 1.00 0.00 H new ATOM 0 HA HIS A 19 -1.876 5.321 6.464 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -3.701 3.394 7.273 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -2.267 2.814 8.098 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -4.531 4.170 10.021 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -2.063 7.594 10.059 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -4.004 6.431 11.263 1.00 0.00 H new ATOM 279 N GLN A 20 -0.048 2.604 6.457 1.00 0.00 N ATOM 280 CA GLN A 20 1.370 2.188 6.650 1.00 0.00 C ATOM 281 C GLN A 20 2.264 3.002 5.717 1.00 0.00 C ATOM 282 O GLN A 20 3.273 3.548 6.125 1.00 0.00 O ATOM 283 CB GLN A 20 1.418 0.699 6.297 1.00 0.00 C ATOM 284 CG GLN A 20 0.686 0.454 4.976 1.00 0.00 C ATOM 285 CD GLN A 20 1.705 0.236 3.858 1.00 0.00 C ATOM 286 OE1 GLN A 20 1.294 -0.172 2.688 1.00 0.00 O flip ATOM 287 NE2 GLN A 20 2.887 0.439 4.049 1.00 0.00 N flip ATOM 0 H GLN A 20 -0.676 1.879 6.110 1.00 0.00 H new ATOM 0 HA GLN A 20 1.721 2.356 7.668 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.454 0.369 6.216 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.958 0.113 7.092 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.036 -0.417 5.065 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.048 1.305 4.739 1.00 0.00 H new ATOM 0 HE21 GLN A 20 3.209 0.758 4.963 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.558 0.291 3.295 1.00 0.00 H new ATOM 296 N ILE A 21 1.886 3.127 4.472 1.00 0.00 N ATOM 297 CA ILE A 21 2.710 3.940 3.540 1.00 0.00 C ATOM 298 C ILE A 21 2.823 5.347 4.118 1.00 0.00 C ATOM 299 O ILE A 21 3.841 6.001 4.012 1.00 0.00 O ATOM 300 CB ILE A 21 1.942 3.956 2.219 1.00 0.00 C ATOM 301 CG1 ILE A 21 2.136 2.611 1.505 1.00 0.00 C ATOM 302 CG2 ILE A 21 2.471 5.095 1.344 1.00 0.00 C ATOM 303 CD1 ILE A 21 2.386 2.838 0.011 1.00 0.00 C ATOM 0 H ILE A 21 1.051 2.705 4.066 1.00 0.00 H new ATOM 0 HA ILE A 21 3.716 3.545 3.395 1.00 0.00 H new ATOM 0 HB ILE A 21 0.880 4.111 2.407 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.977 2.075 1.945 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.253 1.987 1.643 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.927 5.111 0.400 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.331 6.045 1.860 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.532 4.941 1.148 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.522 1.877 -0.485 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.532 3.354 -0.427 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.282 3.444 -0.120 1.00 0.00 H new ATOM 315 N GLU A 22 1.778 5.802 4.751 1.00 0.00 N ATOM 316 CA GLU A 22 1.803 7.152 5.372 1.00 0.00 C ATOM 317 C GLU A 22 2.904 7.208 6.435 1.00 0.00 C ATOM 318 O GLU A 22 3.534 8.223 6.638 1.00 0.00 O ATOM 319 CB GLU A 22 0.425 7.320 6.014 1.00 0.00 C ATOM 320 CG GLU A 22 -0.240 8.587 5.471 1.00 0.00 C ATOM 321 CD GLU A 22 -1.757 8.389 5.426 1.00 0.00 C ATOM 322 OE1 GLU A 22 -2.206 7.583 4.627 1.00 0.00 O ATOM 323 OE2 GLU A 22 -2.442 9.047 6.190 1.00 0.00 O ATOM 0 H GLU A 22 0.902 5.292 4.865 1.00 0.00 H new ATOM 0 HA GLU A 22 2.009 7.942 4.650 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.196 6.450 5.800 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.522 7.383 7.098 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.007 9.440 6.103 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.138 8.810 4.473 1.00 0.00 H new ATOM 330 N TYR A 23 3.135 6.127 7.125 1.00 0.00 N ATOM 331 CA TYR A 23 4.191 6.135 8.177 1.00 0.00 C ATOM 332 C TYR A 23 5.565 6.457 7.568 1.00 0.00 C ATOM 333 O TYR A 23 6.313 7.245 8.111 1.00 0.00 O ATOM 334 CB TYR A 23 4.172 4.725 8.772 1.00 0.00 C ATOM 335 CG TYR A 23 5.537 4.383 9.318 1.00 0.00 C ATOM 336 CD1 TYR A 23 5.987 4.965 10.509 1.00 0.00 C ATOM 337 CD2 TYR A 23 6.353 3.484 8.629 1.00 0.00 C ATOM 338 CE1 TYR A 23 7.255 4.646 11.008 1.00 0.00 C ATOM 339 CE2 TYR A 23 7.622 3.163 9.126 1.00 0.00 C ATOM 340 CZ TYR A 23 8.073 3.744 10.316 1.00 0.00 C ATOM 341 OH TYR A 23 9.323 3.428 10.808 1.00 0.00 O ATOM 0 H TYR A 23 2.642 5.242 7.008 1.00 0.00 H new ATOM 0 HA TYR A 23 4.007 6.897 8.935 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.427 4.665 9.566 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.884 4.002 8.009 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.356 5.660 11.043 1.00 0.00 H new ATOM 0 HD2 TYR A 23 6.005 3.035 7.711 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.603 5.095 11.927 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.252 2.468 8.591 1.00 0.00 H new ATOM 0 HH TYR A 23 9.759 2.787 10.208 1.00 0.00 H new ATOM 351 N TYR A 24 5.912 5.865 6.451 1.00 0.00 N ATOM 352 CA TYR A 24 7.254 6.176 5.852 1.00 0.00 C ATOM 353 C TYR A 24 7.232 7.528 5.133 1.00 0.00 C ATOM 354 O TYR A 24 8.191 8.273 5.164 1.00 0.00 O ATOM 355 CB TYR A 24 7.573 5.083 4.823 1.00 0.00 C ATOM 356 CG TYR A 24 6.886 3.788 5.161 1.00 0.00 C ATOM 357 CD1 TYR A 24 7.522 2.840 5.970 1.00 0.00 C ATOM 358 CD2 TYR A 24 5.622 3.528 4.639 1.00 0.00 C ATOM 359 CE1 TYR A 24 6.882 1.629 6.259 1.00 0.00 C ATOM 360 CE2 TYR A 24 4.983 2.322 4.922 1.00 0.00 C ATOM 361 CZ TYR A 24 5.610 1.369 5.734 1.00 0.00 C ATOM 362 OH TYR A 24 4.976 0.176 6.014 1.00 0.00 O ATOM 0 H TYR A 24 5.341 5.195 5.936 1.00 0.00 H new ATOM 0 HA TYR A 24 8.002 6.215 6.644 1.00 0.00 H new ATOM 0 HB2 TYR A 24 7.261 5.413 3.832 1.00 0.00 H new ATOM 0 HB3 TYR A 24 8.651 4.924 4.782 1.00 0.00 H new ATOM 0 HD1 TYR A 24 8.504 3.042 6.371 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.136 4.262 4.014 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.368 0.896 6.886 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.003 2.122 4.514 1.00 0.00 H new ATOM 0 HH TYR A 24 4.997 -0.399 5.221 1.00 0.00 H new ATOM 372 N PHE A 25 6.162 7.832 4.455 1.00 0.00 N ATOM 373 CA PHE A 25 6.103 9.124 3.697 1.00 0.00 C ATOM 374 C PHE A 25 5.169 10.139 4.362 1.00 0.00 C ATOM 375 O PHE A 25 5.288 11.330 4.150 1.00 0.00 O ATOM 376 CB PHE A 25 5.546 8.741 2.325 1.00 0.00 C ATOM 377 CG PHE A 25 6.665 8.278 1.425 1.00 0.00 C ATOM 378 CD1 PHE A 25 7.372 9.208 0.654 1.00 0.00 C ATOM 379 CD2 PHE A 25 6.991 6.919 1.356 1.00 0.00 C ATOM 380 CE1 PHE A 25 8.405 8.778 -0.186 1.00 0.00 C ATOM 381 CE2 PHE A 25 8.023 6.489 0.515 1.00 0.00 C ATOM 382 CZ PHE A 25 8.731 7.419 -0.256 1.00 0.00 C ATOM 0 H PHE A 25 5.327 7.249 4.389 1.00 0.00 H new ATOM 0 HA PHE A 25 7.085 9.596 3.652 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.804 7.950 2.433 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.038 9.596 1.878 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.120 10.257 0.707 1.00 0.00 H new ATOM 0 HD2 PHE A 25 6.446 6.202 1.952 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.951 9.495 -0.781 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.274 5.440 0.460 1.00 0.00 H new ATOM 0 HZ PHE A 25 9.528 7.088 -0.905 1.00 0.00 H new ATOM 392 N GLY A 26 4.233 9.683 5.144 1.00 0.00 N ATOM 393 CA GLY A 26 3.279 10.623 5.806 1.00 0.00 C ATOM 394 C GLY A 26 3.984 11.939 6.132 1.00 0.00 C ATOM 395 O GLY A 26 3.549 13.003 5.737 1.00 0.00 O ATOM 0 H GLY A 26 4.084 8.696 5.356 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.427 10.810 5.152 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.888 10.174 6.719 1.00 0.00 H new ATOM 399 N ASP A 27 5.070 11.873 6.849 1.00 0.00 N ATOM 400 CA ASP A 27 5.811 13.117 7.207 1.00 0.00 C ATOM 401 C ASP A 27 6.822 12.813 8.314 1.00 0.00 C ATOM 402 O ASP A 27 7.780 13.531 8.506 1.00 0.00 O ATOM 403 CB ASP A 27 4.736 14.098 7.696 1.00 0.00 C ATOM 404 CG ASP A 27 5.094 14.627 9.089 1.00 0.00 C ATOM 405 OD1 ASP A 27 5.827 15.599 9.161 1.00 0.00 O ATOM 406 OD2 ASP A 27 4.629 14.049 10.058 1.00 0.00 O ATOM 0 H ASP A 27 5.479 11.009 7.204 1.00 0.00 H new ATOM 0 HA ASP A 27 6.372 13.529 6.368 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.646 14.929 6.996 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.767 13.601 7.726 1.00 0.00 H new ATOM 411 N PHE A 28 6.610 11.756 9.046 1.00 0.00 N ATOM 412 CA PHE A 28 7.559 11.406 10.143 1.00 0.00 C ATOM 413 C PHE A 28 8.787 10.689 9.583 1.00 0.00 C ATOM 414 O PHE A 28 9.906 10.959 9.970 1.00 0.00 O ATOM 415 CB PHE A 28 6.796 10.475 11.098 1.00 0.00 C ATOM 416 CG PHE A 28 5.312 10.532 10.824 1.00 0.00 C ATOM 417 CD1 PHE A 28 4.534 11.558 11.374 1.00 0.00 C ATOM 418 CD2 PHE A 28 4.714 9.554 10.020 1.00 0.00 C ATOM 419 CE1 PHE A 28 3.159 11.607 11.118 1.00 0.00 C ATOM 420 CE2 PHE A 28 3.339 9.603 9.764 1.00 0.00 C ATOM 421 CZ PHE A 28 2.561 10.630 10.314 1.00 0.00 C ATOM 0 H PHE A 28 5.822 11.119 8.934 1.00 0.00 H new ATOM 0 HA PHE A 28 7.910 12.302 10.655 1.00 0.00 H new ATOM 0 HB2 PHE A 28 7.154 9.452 10.980 1.00 0.00 H new ATOM 0 HB3 PHE A 28 6.992 10.765 12.130 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.995 12.311 11.996 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.314 8.762 9.597 1.00 0.00 H new ATOM 0 HE1 PHE A 28 2.559 12.399 11.541 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.878 8.849 9.143 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.500 10.668 10.118 1.00 0.00 H new ATOM 431 N ASN A 29 8.586 9.757 8.695 1.00 0.00 N ATOM 432 CA ASN A 29 9.740 8.999 8.133 1.00 0.00 C ATOM 433 C ASN A 29 10.503 9.818 7.085 1.00 0.00 C ATOM 434 O ASN A 29 11.695 9.675 6.930 1.00 0.00 O ATOM 435 CB ASN A 29 9.125 7.758 7.501 1.00 0.00 C ATOM 436 CG ASN A 29 9.223 6.587 8.483 1.00 0.00 C ATOM 437 OD1 ASN A 29 8.220 6.087 8.952 1.00 0.00 O ATOM 438 ND2 ASN A 29 10.399 6.127 8.814 1.00 0.00 N ATOM 0 H ASN A 29 7.672 9.486 8.333 1.00 0.00 H new ATOM 0 HA ASN A 29 10.469 8.755 8.906 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.082 7.946 7.244 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.643 7.514 6.573 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.476 5.347 9.467 1.00 0.00 H new ATOM 0 HD22 ASN A 29 11.241 6.547 8.420 1.00 0.00 H new ATOM 445 N LEU A 30 9.826 10.646 6.343 1.00 0.00 N ATOM 446 CA LEU A 30 10.521 11.436 5.281 1.00 0.00 C ATOM 447 C LEU A 30 11.664 12.282 5.864 1.00 0.00 C ATOM 448 O LEU A 30 12.760 12.281 5.341 1.00 0.00 O ATOM 449 CB LEU A 30 9.434 12.343 4.706 1.00 0.00 C ATOM 450 CG LEU A 30 9.326 12.129 3.197 1.00 0.00 C ATOM 451 CD1 LEU A 30 10.554 12.726 2.509 1.00 0.00 C ATOM 452 CD2 LEU A 30 9.251 10.631 2.898 1.00 0.00 C ATOM 0 H LEU A 30 8.823 10.813 6.422 1.00 0.00 H new ATOM 0 HA LEU A 30 10.976 10.789 4.531 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.478 12.127 5.183 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.668 13.386 4.919 1.00 0.00 H new ATOM 0 HG LEU A 30 8.426 12.619 2.824 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.478 12.574 1.432 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.607 13.794 2.722 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.454 12.237 2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.174 10.478 1.822 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.150 10.140 3.271 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.375 10.205 3.388 1.00 0.00 H new ATOM 464 N PRO A 31 11.366 12.987 6.917 1.00 0.00 N ATOM 465 CA PRO A 31 12.382 13.860 7.563 1.00 0.00 C ATOM 466 C PRO A 31 13.605 13.060 8.035 1.00 0.00 C ATOM 467 O PRO A 31 14.626 13.628 8.364 1.00 0.00 O ATOM 468 CB PRO A 31 11.646 14.466 8.758 1.00 0.00 C ATOM 469 CG PRO A 31 10.190 14.251 8.489 1.00 0.00 C ATOM 470 CD PRO A 31 10.074 13.045 7.597 1.00 0.00 C ATOM 0 HA PRO A 31 12.770 14.610 6.873 1.00 0.00 H new ATOM 0 HB2 PRO A 31 11.947 13.985 9.688 1.00 0.00 H new ATOM 0 HB3 PRO A 31 11.873 15.527 8.860 1.00 0.00 H new ATOM 0 HG2 PRO A 31 9.646 14.094 9.420 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.754 15.127 8.009 1.00 0.00 H new ATOM 0 HD2 PRO A 31 9.884 12.139 8.172 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.253 13.150 6.888 1.00 0.00 H new ATOM 478 N ARG A 32 13.520 11.757 8.088 1.00 0.00 N ATOM 479 CA ARG A 32 14.702 10.970 8.560 1.00 0.00 C ATOM 480 C ARG A 32 14.835 9.641 7.806 1.00 0.00 C ATOM 481 O ARG A 32 15.721 8.855 8.078 1.00 0.00 O ATOM 482 CB ARG A 32 14.431 10.710 10.042 1.00 0.00 C ATOM 483 CG ARG A 32 14.589 12.013 10.829 1.00 0.00 C ATOM 484 CD ARG A 32 16.075 12.338 10.987 1.00 0.00 C ATOM 485 NE ARG A 32 16.150 13.825 10.937 1.00 0.00 N ATOM 486 CZ ARG A 32 17.182 14.447 11.441 1.00 0.00 C ATOM 487 NH1 ARG A 32 18.153 13.766 11.987 1.00 0.00 N ATOM 488 NH2 ARG A 32 17.243 15.748 11.397 1.00 0.00 N ATOM 0 H ARG A 32 12.699 11.209 7.830 1.00 0.00 H new ATOM 0 HA ARG A 32 15.633 11.510 8.388 1.00 0.00 H new ATOM 0 HB2 ARG A 32 13.424 10.313 10.174 1.00 0.00 H new ATOM 0 HB3 ARG A 32 15.122 9.958 10.422 1.00 0.00 H new ATOM 0 HG2 ARG A 32 14.081 12.827 10.311 1.00 0.00 H new ATOM 0 HG3 ARG A 32 14.121 11.917 11.809 1.00 0.00 H new ATOM 0 HD2 ARG A 32 16.465 11.954 11.930 1.00 0.00 H new ATOM 0 HD3 ARG A 32 16.665 11.886 10.190 1.00 0.00 H new ATOM 0 HE ARG A 32 15.394 14.359 10.508 1.00 0.00 H new ATOM 0 HH11 ARG A 32 18.106 12.748 12.020 1.00 0.00 H new ATOM 0 HH12 ARG A 32 18.959 14.252 12.380 1.00 0.00 H new ATOM 0 HH21 ARG A 32 16.485 16.280 10.969 1.00 0.00 H new ATOM 0 HH22 ARG A 32 18.049 16.234 11.790 1.00 0.00 H new ATOM 502 N ASP A 33 13.951 9.358 6.892 1.00 0.00 N ATOM 503 CA ASP A 33 14.025 8.053 6.172 1.00 0.00 C ATOM 504 C ASP A 33 15.350 7.914 5.414 1.00 0.00 C ATOM 505 O ASP A 33 15.507 8.403 4.313 1.00 0.00 O ATOM 506 CB ASP A 33 12.856 8.084 5.187 1.00 0.00 C ATOM 507 CG ASP A 33 11.747 7.155 5.682 1.00 0.00 C ATOM 508 OD1 ASP A 33 11.779 6.794 6.847 1.00 0.00 O ATOM 509 OD2 ASP A 33 10.883 6.820 4.888 1.00 0.00 O ATOM 0 H ASP A 33 13.184 9.969 6.612 1.00 0.00 H new ATOM 0 HA ASP A 33 13.972 7.210 6.860 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.476 9.101 5.089 1.00 0.00 H new ATOM 0 HB3 ASP A 33 13.192 7.772 4.198 1.00 0.00 H new ATOM 514 N LYS A 34 16.294 7.228 6.001 1.00 0.00 N ATOM 515 CA LYS A 34 17.611 7.024 5.325 1.00 0.00 C ATOM 516 C LYS A 34 17.465 5.986 4.215 1.00 0.00 C ATOM 517 O LYS A 34 17.941 6.162 3.110 1.00 0.00 O ATOM 518 CB LYS A 34 18.557 6.506 6.412 1.00 0.00 C ATOM 519 CG LYS A 34 18.259 7.205 7.739 1.00 0.00 C ATOM 520 CD LYS A 34 18.243 8.720 7.526 1.00 0.00 C ATOM 521 CE LYS A 34 18.077 9.423 8.876 1.00 0.00 C ATOM 522 NZ LYS A 34 19.460 9.560 9.410 1.00 0.00 N ATOM 0 H LYS A 34 16.211 6.798 6.922 1.00 0.00 H new ATOM 0 HA LYS A 34 17.985 7.942 4.872 1.00 0.00 H new ATOM 0 HB2 LYS A 34 18.440 5.428 6.525 1.00 0.00 H new ATOM 0 HB3 LYS A 34 19.592 6.685 6.121 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.297 6.872 8.130 1.00 0.00 H new ATOM 0 HG3 LYS A 34 19.013 6.939 8.480 1.00 0.00 H new ATOM 0 HD2 LYS A 34 19.169 9.041 7.048 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.427 8.996 6.858 1.00 0.00 H new ATOM 0 HE2 LYS A 34 17.601 10.396 8.758 1.00 0.00 H new ATOM 0 HE3 LYS A 34 17.449 8.840 9.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 19.431 9.573 10.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 20.037 8.756 9.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 19.879 10.447 9.064 1.00 0.00 H new ATOM 536 N PHE A 35 16.805 4.902 4.509 1.00 0.00 N ATOM 537 CA PHE A 35 16.617 3.837 3.481 1.00 0.00 C ATOM 538 C PHE A 35 15.689 4.339 2.375 1.00 0.00 C ATOM 539 O PHE A 35 15.935 4.132 1.203 1.00 0.00 O ATOM 540 CB PHE A 35 15.982 2.664 4.231 1.00 0.00 C ATOM 541 CG PHE A 35 14.662 3.092 4.826 1.00 0.00 C ATOM 542 CD1 PHE A 35 13.489 3.007 4.066 1.00 0.00 C ATOM 543 CD2 PHE A 35 14.610 3.571 6.142 1.00 0.00 C ATOM 544 CE1 PHE A 35 12.265 3.400 4.621 1.00 0.00 C ATOM 545 CE2 PHE A 35 13.386 3.965 6.695 1.00 0.00 C ATOM 546 CZ PHE A 35 12.214 3.880 5.935 1.00 0.00 C ATOM 0 H PHE A 35 16.386 4.705 5.418 1.00 0.00 H new ATOM 0 HA PHE A 35 17.554 3.549 3.005 1.00 0.00 H new ATOM 0 HB2 PHE A 35 15.830 1.825 3.551 1.00 0.00 H new ATOM 0 HB3 PHE A 35 16.652 2.319 5.019 1.00 0.00 H new ATOM 0 HD1 PHE A 35 13.528 2.638 3.052 1.00 0.00 H new ATOM 0 HD2 PHE A 35 15.514 3.636 6.729 1.00 0.00 H new ATOM 0 HE1 PHE A 35 11.360 3.333 4.035 1.00 0.00 H new ATOM 0 HE2 PHE A 35 13.346 4.335 7.709 1.00 0.00 H new ATOM 0 HZ PHE A 35 11.270 4.185 6.362 1.00 0.00 H new ATOM 556 N LEU A 36 14.632 5.011 2.737 1.00 0.00 N ATOM 557 CA LEU A 36 13.701 5.541 1.705 1.00 0.00 C ATOM 558 C LEU A 36 14.448 6.537 0.817 1.00 0.00 C ATOM 559 O LEU A 36 14.225 6.620 -0.375 1.00 0.00 O ATOM 560 CB LEU A 36 12.601 6.250 2.490 1.00 0.00 C ATOM 561 CG LEU A 36 11.246 5.965 1.843 1.00 0.00 C ATOM 562 CD1 LEU A 36 11.328 6.230 0.337 1.00 0.00 C ATOM 563 CD2 LEU A 36 10.864 4.502 2.081 1.00 0.00 C ATOM 0 H LEU A 36 14.374 5.215 3.702 1.00 0.00 H new ATOM 0 HA LEU A 36 13.297 4.761 1.060 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.600 5.908 3.525 1.00 0.00 H new ATOM 0 HB3 LEU A 36 12.788 7.324 2.509 1.00 0.00 H new ATOM 0 HG LEU A 36 10.492 6.616 2.285 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.360 6.026 -0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.599 7.272 0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.084 5.581 -0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.898 4.299 1.620 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.620 3.852 1.641 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.802 4.312 3.152 1.00 0.00 H new ATOM 575 N LYS A 37 15.345 7.282 1.399 1.00 0.00 N ATOM 576 CA LYS A 37 16.132 8.271 0.608 1.00 0.00 C ATOM 577 C LYS A 37 16.971 7.545 -0.447 1.00 0.00 C ATOM 578 O LYS A 37 17.283 8.087 -1.489 1.00 0.00 O ATOM 579 CB LYS A 37 17.038 8.962 1.628 1.00 0.00 C ATOM 580 CG LYS A 37 16.310 10.169 2.223 1.00 0.00 C ATOM 581 CD LYS A 37 16.004 11.177 1.115 1.00 0.00 C ATOM 582 CE LYS A 37 16.545 12.553 1.511 1.00 0.00 C ATOM 583 NZ LYS A 37 15.888 12.865 2.811 1.00 0.00 N ATOM 0 H LYS A 37 15.569 7.249 2.394 1.00 0.00 H new ATOM 0 HA LYS A 37 15.496 8.982 0.081 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.312 8.263 2.419 1.00 0.00 H new ATOM 0 HB3 LYS A 37 17.964 9.282 1.150 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.385 9.849 2.704 1.00 0.00 H new ATOM 0 HG3 LYS A 37 16.925 10.635 2.993 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.457 10.852 0.178 1.00 0.00 H new ATOM 0 HD3 LYS A 37 14.929 11.232 0.946 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.630 12.537 1.611 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.306 13.303 0.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 15.668 13.880 2.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.009 12.316 2.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.528 12.617 3.592 1.00 0.00 H new ATOM 597 N GLU A 38 17.334 6.321 -0.185 1.00 0.00 N ATOM 598 CA GLU A 38 18.149 5.555 -1.170 1.00 0.00 C ATOM 599 C GLU A 38 17.298 5.190 -2.390 1.00 0.00 C ATOM 600 O GLU A 38 17.731 5.312 -3.519 1.00 0.00 O ATOM 601 CB GLU A 38 18.586 4.293 -0.426 1.00 0.00 C ATOM 602 CG GLU A 38 19.831 4.599 0.410 1.00 0.00 C ATOM 603 CD GLU A 38 20.233 3.354 1.202 1.00 0.00 C ATOM 604 OE1 GLU A 38 19.701 3.167 2.285 1.00 0.00 O ATOM 605 OE2 GLU A 38 21.066 2.608 0.714 1.00 0.00 O ATOM 0 H GLU A 38 17.101 5.816 0.670 1.00 0.00 H new ATOM 0 HA GLU A 38 19.001 6.128 -1.536 1.00 0.00 H new ATOM 0 HB2 GLU A 38 17.780 3.940 0.218 1.00 0.00 H new ATOM 0 HB3 GLU A 38 18.799 3.494 -1.137 1.00 0.00 H new ATOM 0 HG2 GLU A 38 20.650 4.910 -0.239 1.00 0.00 H new ATOM 0 HG3 GLU A 38 19.631 5.427 1.090 1.00 0.00 H new ATOM 612 N GLN A 39 16.092 4.744 -2.172 1.00 0.00 N ATOM 613 CA GLN A 39 15.213 4.371 -3.318 1.00 0.00 C ATOM 614 C GLN A 39 14.778 5.627 -4.077 1.00 0.00 C ATOM 615 O GLN A 39 14.704 5.639 -5.290 1.00 0.00 O ATOM 616 CB GLN A 39 14.006 3.681 -2.682 1.00 0.00 C ATOM 617 CG GLN A 39 14.352 2.221 -2.374 1.00 0.00 C ATOM 618 CD GLN A 39 15.754 2.141 -1.765 1.00 0.00 C ATOM 619 OE1 GLN A 39 15.911 2.371 -0.489 1.00 0.00 O flip ATOM 620 NE2 GLN A 39 16.714 1.866 -2.456 1.00 0.00 N flip ATOM 0 H GLN A 39 15.676 4.621 -1.249 1.00 0.00 H new ATOM 0 HA GLN A 39 15.718 3.725 -4.036 1.00 0.00 H new ATOM 0 HB2 GLN A 39 13.719 4.198 -1.766 1.00 0.00 H new ATOM 0 HB3 GLN A 39 13.151 3.728 -3.356 1.00 0.00 H new ATOM 0 HG2 GLN A 39 13.620 1.802 -1.683 1.00 0.00 H new ATOM 0 HG3 GLN A 39 14.307 1.626 -3.286 1.00 0.00 H new ATOM 0 HE21 GLN A 39 16.590 1.686 -3.452 1.00 0.00 H new ATOM 0 HE22 GLN A 39 17.644 1.814 -2.040 1.00 0.00 H new ATOM 629 N ILE A 40 14.497 6.685 -3.371 1.00 0.00 N ATOM 630 CA ILE A 40 14.076 7.940 -4.056 1.00 0.00 C ATOM 631 C ILE A 40 15.262 8.518 -4.834 1.00 0.00 C ATOM 632 O ILE A 40 15.105 9.089 -5.895 1.00 0.00 O ATOM 633 CB ILE A 40 13.632 8.892 -2.943 1.00 0.00 C ATOM 634 CG1 ILE A 40 14.858 9.432 -2.207 1.00 0.00 C ATOM 635 CG2 ILE A 40 12.734 8.144 -1.955 1.00 0.00 C ATOM 636 CD1 ILE A 40 14.431 10.570 -1.278 1.00 0.00 C ATOM 0 H ILE A 40 14.540 6.737 -2.353 1.00 0.00 H new ATOM 0 HA ILE A 40 13.269 7.774 -4.770 1.00 0.00 H new ATOM 0 HB ILE A 40 13.078 9.722 -3.381 1.00 0.00 H new ATOM 0 HG12 ILE A 40 15.331 8.636 -1.632 1.00 0.00 H new ATOM 0 HG13 ILE A 40 15.598 9.790 -2.923 1.00 0.00 H new ATOM 0 HG21 ILE A 40 12.419 8.824 -1.163 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.856 7.764 -2.477 1.00 0.00 H new ATOM 0 HG23 ILE A 40 13.286 7.311 -1.520 1.00 0.00 H new ATOM 0 HD11 ILE A 40 15.304 10.957 -0.752 1.00 0.00 H new ATOM 0 HD12 ILE A 40 13.978 11.369 -1.865 1.00 0.00 H new ATOM 0 HD13 ILE A 40 13.707 10.196 -0.554 1.00 0.00 H new ATOM 648 N LYS A 41 16.450 8.366 -4.317 1.00 0.00 N ATOM 649 CA LYS A 41 17.649 8.898 -5.028 1.00 0.00 C ATOM 650 C LYS A 41 18.057 7.948 -6.157 1.00 0.00 C ATOM 651 O LYS A 41 18.545 8.366 -7.188 1.00 0.00 O ATOM 652 CB LYS A 41 18.744 8.966 -3.963 1.00 0.00 C ATOM 653 CG LYS A 41 19.705 10.112 -4.289 1.00 0.00 C ATOM 654 CD LYS A 41 20.699 9.659 -5.360 1.00 0.00 C ATOM 655 CE LYS A 41 21.650 8.614 -4.770 1.00 0.00 C ATOM 656 NZ LYS A 41 22.042 7.758 -5.923 1.00 0.00 N ATOM 0 H LYS A 41 16.643 7.896 -3.432 1.00 0.00 H new ATOM 0 HA LYS A 41 17.462 9.871 -5.482 1.00 0.00 H new ATOM 0 HB2 LYS A 41 18.300 9.119 -2.979 1.00 0.00 H new ATOM 0 HB3 LYS A 41 19.287 8.022 -3.924 1.00 0.00 H new ATOM 0 HG2 LYS A 41 19.147 10.980 -4.640 1.00 0.00 H new ATOM 0 HG3 LYS A 41 20.239 10.419 -3.390 1.00 0.00 H new ATOM 0 HD2 LYS A 41 20.164 9.239 -6.212 1.00 0.00 H new ATOM 0 HD3 LYS A 41 21.266 10.514 -5.729 1.00 0.00 H new ATOM 0 HE2 LYS A 41 22.521 9.085 -4.314 1.00 0.00 H new ATOM 0 HE3 LYS A 41 21.160 8.029 -3.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 22.695 7.016 -5.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 21.194 7.318 -6.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 22.512 8.341 -6.644 1.00 0.00 H new ATOM 670 N LEU A 42 17.860 6.669 -5.972 1.00 0.00 N ATOM 671 CA LEU A 42 18.237 5.693 -7.035 1.00 0.00 C ATOM 672 C LEU A 42 17.849 6.237 -8.414 1.00 0.00 C ATOM 673 O LEU A 42 18.685 6.691 -9.170 1.00 0.00 O ATOM 674 CB LEU A 42 17.441 4.427 -6.711 1.00 0.00 C ATOM 675 CG LEU A 42 18.362 3.208 -6.798 1.00 0.00 C ATOM 676 CD1 LEU A 42 18.301 2.427 -5.485 1.00 0.00 C ATOM 677 CD2 LEU A 42 17.906 2.308 -7.948 1.00 0.00 C ATOM 0 H LEU A 42 17.454 6.259 -5.131 1.00 0.00 H new ATOM 0 HA LEU A 42 19.310 5.503 -7.061 1.00 0.00 H new ATOM 0 HB2 LEU A 42 17.011 4.501 -5.712 1.00 0.00 H new ATOM 0 HB3 LEU A 42 16.610 4.319 -7.408 1.00 0.00 H new ATOM 0 HG LEU A 42 19.386 3.537 -6.977 1.00 0.00 H new ATOM 0 HD11 LEU A 42 18.957 1.559 -5.547 1.00 0.00 H new ATOM 0 HD12 LEU A 42 18.624 3.068 -4.665 1.00 0.00 H new ATOM 0 HD13 LEU A 42 17.278 2.097 -5.305 1.00 0.00 H new ATOM 0 HD21 LEU A 42 18.561 1.439 -8.012 1.00 0.00 H new ATOM 0 HD22 LEU A 42 16.883 1.979 -7.768 1.00 0.00 H new ATOM 0 HD23 LEU A 42 17.949 2.864 -8.884 1.00 0.00 H new ATOM 689 N ASP A 43 16.586 6.201 -8.745 1.00 0.00 N ATOM 690 CA ASP A 43 16.149 6.723 -10.071 1.00 0.00 C ATOM 691 C ASP A 43 15.719 8.188 -9.933 1.00 0.00 C ATOM 692 O ASP A 43 16.505 9.039 -9.566 1.00 0.00 O ATOM 693 CB ASP A 43 14.965 5.844 -10.475 1.00 0.00 C ATOM 694 CG ASP A 43 13.955 5.784 -9.327 1.00 0.00 C ATOM 695 OD1 ASP A 43 13.869 6.752 -8.590 1.00 0.00 O ATOM 696 OD2 ASP A 43 13.285 4.772 -9.204 1.00 0.00 O ATOM 0 H ASP A 43 15.839 5.833 -8.155 1.00 0.00 H new ATOM 0 HA ASP A 43 16.943 6.691 -10.817 1.00 0.00 H new ATOM 0 HB2 ASP A 43 14.490 6.245 -11.370 1.00 0.00 H new ATOM 0 HB3 ASP A 43 15.311 4.840 -10.721 1.00 0.00 H new ATOM 701 N GLU A 44 14.480 8.492 -10.211 1.00 0.00 N ATOM 702 CA GLU A 44 14.012 9.900 -10.078 1.00 0.00 C ATOM 703 C GLU A 44 13.049 10.009 -8.897 1.00 0.00 C ATOM 704 O GLU A 44 11.975 10.566 -9.006 1.00 0.00 O ATOM 705 CB GLU A 44 13.285 10.205 -11.387 1.00 0.00 C ATOM 706 CG GLU A 44 13.499 11.672 -11.759 1.00 0.00 C ATOM 707 CD GLU A 44 13.256 11.862 -13.258 1.00 0.00 C ATOM 708 OE1 GLU A 44 14.136 11.514 -14.028 1.00 0.00 O ATOM 709 OE2 GLU A 44 12.195 12.351 -13.608 1.00 0.00 O ATOM 0 H GLU A 44 13.773 7.827 -10.524 1.00 0.00 H new ATOM 0 HA GLU A 44 14.831 10.597 -9.899 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.658 9.559 -12.182 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.220 9.997 -11.281 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.821 12.305 -11.187 1.00 0.00 H new ATOM 0 HG3 GLU A 44 14.513 11.978 -11.503 1.00 0.00 H new ATOM 716 N GLY A 45 13.421 9.468 -7.769 1.00 0.00 N ATOM 717 CA GLY A 45 12.520 9.527 -6.584 1.00 0.00 C ATOM 718 C GLY A 45 11.394 8.512 -6.770 1.00 0.00 C ATOM 719 O GLY A 45 10.230 8.857 -6.776 1.00 0.00 O ATOM 0 H GLY A 45 14.308 8.989 -7.617 1.00 0.00 H new ATOM 0 HA2 GLY A 45 13.079 9.308 -5.674 1.00 0.00 H new ATOM 0 HA3 GLY A 45 12.109 10.530 -6.472 1.00 0.00 H new ATOM 723 N TRP A 46 11.730 7.260 -6.929 1.00 0.00 N ATOM 724 CA TRP A 46 10.673 6.228 -7.124 1.00 0.00 C ATOM 725 C TRP A 46 11.042 4.926 -6.408 1.00 0.00 C ATOM 726 O TRP A 46 11.911 4.194 -6.836 1.00 0.00 O ATOM 727 CB TRP A 46 10.612 6.000 -8.634 1.00 0.00 C ATOM 728 CG TRP A 46 9.642 6.955 -9.249 1.00 0.00 C ATOM 729 CD1 TRP A 46 9.959 7.903 -10.159 1.00 0.00 C ATOM 730 CD2 TRP A 46 8.206 7.069 -9.022 1.00 0.00 C ATOM 731 NE1 TRP A 46 8.812 8.593 -10.506 1.00 0.00 N ATOM 732 CE2 TRP A 46 7.705 8.115 -9.831 1.00 0.00 C ATOM 733 CE3 TRP A 46 7.300 6.373 -8.199 1.00 0.00 C ATOM 734 CZ2 TRP A 46 6.351 8.460 -9.826 1.00 0.00 C ATOM 735 CZ3 TRP A 46 5.939 6.718 -8.191 1.00 0.00 C ATOM 736 CH2 TRP A 46 5.466 7.759 -9.003 1.00 0.00 C ATOM 0 H TRP A 46 12.688 6.909 -6.932 1.00 0.00 H new ATOM 0 HA TRP A 46 9.716 6.551 -6.715 1.00 0.00 H new ATOM 0 HB2 TRP A 46 11.600 6.138 -9.072 1.00 0.00 H new ATOM 0 HB3 TRP A 46 10.310 4.974 -8.845 1.00 0.00 H new ATOM 0 HD1 TRP A 46 10.948 8.091 -10.551 1.00 0.00 H new ATOM 0 HE1 TRP A 46 8.786 9.360 -11.178 1.00 0.00 H new ATOM 0 HE3 TRP A 46 7.654 5.569 -7.570 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 5.991 9.262 -10.453 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 5.252 6.178 -7.556 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.418 8.019 -8.992 1.00 0.00 H new ATOM 747 N VAL A 47 10.367 4.625 -5.335 1.00 0.00 N ATOM 748 CA VAL A 47 10.654 3.359 -4.604 1.00 0.00 C ATOM 749 C VAL A 47 9.567 2.337 -4.942 1.00 0.00 C ATOM 750 O VAL A 47 8.397 2.666 -4.957 1.00 0.00 O ATOM 751 CB VAL A 47 10.617 3.728 -3.120 1.00 0.00 C ATOM 752 CG1 VAL A 47 9.329 4.492 -2.818 1.00 0.00 C ATOM 753 CG2 VAL A 47 10.662 2.451 -2.277 1.00 0.00 C ATOM 0 H VAL A 47 9.628 5.201 -4.932 1.00 0.00 H new ATOM 0 HA VAL A 47 11.615 2.921 -4.872 1.00 0.00 H new ATOM 0 HB VAL A 47 11.476 4.354 -2.879 1.00 0.00 H new ATOM 0 HG11 VAL A 47 9.302 4.755 -1.761 1.00 0.00 H new ATOM 0 HG12 VAL A 47 9.295 5.401 -3.419 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.470 3.866 -3.058 1.00 0.00 H new ATOM 0 HG21 VAL A 47 10.636 2.712 -1.219 1.00 0.00 H new ATOM 0 HG22 VAL A 47 9.802 1.826 -2.518 1.00 0.00 H new ATOM 0 HG23 VAL A 47 11.580 1.905 -2.493 1.00 0.00 H new ATOM 763 N PRO A 48 9.982 1.132 -5.226 1.00 0.00 N ATOM 764 CA PRO A 48 9.029 0.072 -5.590 1.00 0.00 C ATOM 765 C PRO A 48 8.468 -0.590 -4.335 1.00 0.00 C ATOM 766 O PRO A 48 9.061 -0.549 -3.276 1.00 0.00 O ATOM 767 CB PRO A 48 9.869 -0.920 -6.397 1.00 0.00 C ATOM 768 CG PRO A 48 11.302 -0.495 -6.232 1.00 0.00 C ATOM 769 CD PRO A 48 11.347 0.632 -5.232 1.00 0.00 C ATOM 0 HA PRO A 48 8.172 0.446 -6.151 1.00 0.00 H new ATOM 0 HB2 PRO A 48 9.722 -1.938 -6.036 1.00 0.00 H new ATOM 0 HB3 PRO A 48 9.579 -0.910 -7.448 1.00 0.00 H new ATOM 0 HG2 PRO A 48 11.910 -1.332 -5.889 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.715 -0.172 -7.188 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.651 0.282 -4.246 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.057 1.404 -5.529 1.00 0.00 H new ATOM 777 N LEU A 49 7.318 -1.180 -4.447 1.00 0.00 N ATOM 778 CA LEU A 49 6.697 -1.830 -3.257 1.00 0.00 C ATOM 779 C LEU A 49 7.594 -2.944 -2.713 1.00 0.00 C ATOM 780 O LEU A 49 7.281 -3.566 -1.722 1.00 0.00 O ATOM 781 CB LEU A 49 5.380 -2.419 -3.761 1.00 0.00 C ATOM 782 CG LEU A 49 4.523 -1.313 -4.381 1.00 0.00 C ATOM 783 CD1 LEU A 49 3.453 -1.940 -5.274 1.00 0.00 C ATOM 784 CD2 LEU A 49 3.850 -0.506 -3.269 1.00 0.00 C ATOM 0 H LEU A 49 6.777 -1.243 -5.309 1.00 0.00 H new ATOM 0 HA LEU A 49 6.549 -1.118 -2.445 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.577 -3.196 -4.499 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.843 -2.890 -2.938 1.00 0.00 H new ATOM 0 HG LEU A 49 5.154 -0.654 -4.977 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.842 -1.153 -5.716 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.932 -2.516 -6.066 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.821 -2.598 -4.678 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.239 0.282 -3.710 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.218 -1.164 -2.673 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.613 -0.060 -2.631 1.00 0.00 H new ATOM 796 N GLU A 50 8.720 -3.186 -3.328 1.00 0.00 N ATOM 797 CA GLU A 50 9.620 -4.246 -2.798 1.00 0.00 C ATOM 798 C GLU A 50 10.071 -3.827 -1.404 1.00 0.00 C ATOM 799 O GLU A 50 10.089 -4.606 -0.471 1.00 0.00 O ATOM 800 CB GLU A 50 10.805 -4.307 -3.759 1.00 0.00 C ATOM 801 CG GLU A 50 11.529 -2.964 -3.776 1.00 0.00 C ATOM 802 CD GLU A 50 12.722 -3.043 -4.732 1.00 0.00 C ATOM 803 OE1 GLU A 50 12.664 -3.840 -5.654 1.00 0.00 O ATOM 804 OE2 GLU A 50 13.672 -2.307 -4.524 1.00 0.00 O ATOM 0 H GLU A 50 9.051 -2.702 -4.163 1.00 0.00 H new ATOM 0 HA GLU A 50 9.139 -5.221 -2.725 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.492 -5.096 -3.454 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.459 -4.556 -4.762 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.847 -2.175 -4.092 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.869 -2.709 -2.772 1.00 0.00 H new ATOM 811 N ILE A 51 10.404 -2.579 -1.267 1.00 0.00 N ATOM 812 CA ILE A 51 10.828 -2.042 0.055 1.00 0.00 C ATOM 813 C ILE A 51 9.680 -2.191 1.050 1.00 0.00 C ATOM 814 O ILE A 51 9.860 -2.537 2.200 1.00 0.00 O ATOM 815 CB ILE A 51 11.076 -0.555 -0.192 1.00 0.00 C ATOM 816 CG1 ILE A 51 11.887 -0.343 -1.475 1.00 0.00 C ATOM 817 CG2 ILE A 51 11.829 0.029 0.994 1.00 0.00 C ATOM 818 CD1 ILE A 51 13.064 -1.313 -1.522 1.00 0.00 C ATOM 0 H ILE A 51 10.401 -1.896 -2.025 1.00 0.00 H new ATOM 0 HA ILE A 51 11.702 -2.557 0.453 1.00 0.00 H new ATOM 0 HB ILE A 51 10.116 -0.052 -0.308 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.249 -0.492 -2.346 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.251 0.684 -1.518 1.00 0.00 H new ATOM 0 HG21 ILE A 51 12.009 1.090 0.824 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.236 -0.098 1.900 1.00 0.00 H new ATOM 0 HG23 ILE A 51 12.782 -0.487 1.109 1.00 0.00 H new ATOM 0 HD11 ILE A 51 13.632 -1.152 -2.438 1.00 0.00 H new ATOM 0 HD12 ILE A 51 13.710 -1.144 -0.660 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.692 -2.337 -1.501 1.00 0.00 H new ATOM 830 N MET A 52 8.497 -1.940 0.578 1.00 0.00 N ATOM 831 CA MET A 52 7.284 -2.062 1.434 1.00 0.00 C ATOM 832 C MET A 52 6.887 -3.535 1.592 1.00 0.00 C ATOM 833 O MET A 52 6.499 -3.975 2.656 1.00 0.00 O ATOM 834 CB MET A 52 6.200 -1.285 0.686 1.00 0.00 C ATOM 835 CG MET A 52 6.164 0.159 1.195 1.00 0.00 C ATOM 836 SD MET A 52 7.832 0.862 1.130 1.00 0.00 S ATOM 837 CE MET A 52 7.518 2.306 2.176 1.00 0.00 C ATOM 0 H MET A 52 8.313 -1.650 -0.382 1.00 0.00 H new ATOM 0 HA MET A 52 7.445 -1.674 2.440 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.401 -1.299 -0.385 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.230 -1.759 0.835 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.483 0.754 0.586 1.00 0.00 H new ATOM 0 HG3 MET A 52 5.785 0.187 2.217 1.00 0.00 H new ATOM 0 HE1 MET A 52 8.006 3.180 1.745 1.00 0.00 H new ATOM 0 HE2 MET A 52 6.444 2.483 2.238 1.00 0.00 H new ATOM 0 HE3 MET A 52 7.915 2.125 3.175 1.00 0.00 H new ATOM 847 N ILE A 53 6.946 -4.287 0.526 1.00 0.00 N ATOM 848 CA ILE A 53 6.534 -5.721 0.591 1.00 0.00 C ATOM 849 C ILE A 53 7.419 -6.509 1.565 1.00 0.00 C ATOM 850 O ILE A 53 6.943 -7.368 2.277 1.00 0.00 O ATOM 851 CB ILE A 53 6.704 -6.243 -0.842 1.00 0.00 C ATOM 852 CG1 ILE A 53 5.452 -7.027 -1.260 1.00 0.00 C ATOM 853 CG2 ILE A 53 7.943 -7.141 -0.932 1.00 0.00 C ATOM 854 CD1 ILE A 53 5.850 -8.402 -1.807 1.00 0.00 C ATOM 0 H ILE A 53 7.263 -3.970 -0.390 1.00 0.00 H new ATOM 0 HA ILE A 53 5.512 -5.834 0.954 1.00 0.00 H new ATOM 0 HB ILE A 53 6.836 -5.397 -1.516 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.786 -7.146 -0.406 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.901 -6.471 -2.019 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.054 -7.506 -1.953 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.828 -6.569 -0.653 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.829 -7.987 -0.255 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.955 -8.950 -2.101 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.498 -8.275 -2.674 1.00 0.00 H new ATOM 0 HD13 ILE A 53 6.381 -8.961 -1.036 1.00 0.00 H new ATOM 866 N LYS A 54 8.696 -6.240 1.615 1.00 0.00 N ATOM 867 CA LYS A 54 9.565 -7.002 2.556 1.00 0.00 C ATOM 868 C LYS A 54 9.521 -6.373 3.949 1.00 0.00 C ATOM 869 O LYS A 54 9.628 -7.051 4.951 1.00 0.00 O ATOM 870 CB LYS A 54 10.972 -6.901 1.965 1.00 0.00 C ATOM 871 CG LYS A 54 11.156 -7.978 0.895 1.00 0.00 C ATOM 872 CD LYS A 54 12.616 -8.437 0.877 1.00 0.00 C ATOM 873 CE LYS A 54 13.517 -7.255 0.514 1.00 0.00 C ATOM 874 NZ LYS A 54 13.409 -7.130 -0.966 1.00 0.00 N ATOM 0 H LYS A 54 9.170 -5.534 1.052 1.00 0.00 H new ATOM 0 HA LYS A 54 9.242 -8.037 2.668 1.00 0.00 H new ATOM 0 HB2 LYS A 54 11.125 -5.913 1.531 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.717 -7.023 2.751 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.500 -8.824 1.100 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.875 -7.586 -0.083 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.895 -8.835 1.852 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.746 -9.243 0.155 1.00 0.00 H new ATOM 0 HE2 LYS A 54 13.191 -6.342 1.012 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.547 -7.435 0.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 14.313 -7.399 -1.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.656 -7.758 -1.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.182 -6.146 -1.216 1.00 0.00 H new ATOM 888 N PHE A 55 9.364 -5.081 4.019 1.00 0.00 N ATOM 889 CA PHE A 55 9.312 -4.411 5.349 1.00 0.00 C ATOM 890 C PHE A 55 8.356 -5.164 6.278 1.00 0.00 C ATOM 891 O PHE A 55 7.220 -5.427 5.935 1.00 0.00 O ATOM 892 CB PHE A 55 8.797 -2.999 5.065 1.00 0.00 C ATOM 893 CG PHE A 55 9.887 -1.998 5.365 1.00 0.00 C ATOM 894 CD1 PHE A 55 10.564 -2.048 6.590 1.00 0.00 C ATOM 895 CD2 PHE A 55 10.224 -1.020 4.419 1.00 0.00 C ATOM 896 CE1 PHE A 55 11.576 -1.123 6.869 1.00 0.00 C ATOM 897 CE2 PHE A 55 11.236 -0.095 4.700 1.00 0.00 C ATOM 898 CZ PHE A 55 11.912 -0.146 5.924 1.00 0.00 C ATOM 0 H PHE A 55 9.270 -4.461 3.215 1.00 0.00 H new ATOM 0 HA PHE A 55 10.283 -4.392 5.843 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.488 -2.915 4.023 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.919 -2.791 5.676 1.00 0.00 H new ATOM 0 HD1 PHE A 55 10.305 -2.801 7.320 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.703 -0.980 3.474 1.00 0.00 H new ATOM 0 HE1 PHE A 55 12.098 -1.163 7.814 1.00 0.00 H new ATOM 0 HE2 PHE A 55 11.495 0.659 3.971 1.00 0.00 H new ATOM 0 HZ PHE A 55 12.693 0.568 6.140 1.00 0.00 H new ATOM 908 N ASN A 56 8.809 -5.518 7.450 1.00 0.00 N ATOM 909 CA ASN A 56 7.930 -6.261 8.398 1.00 0.00 C ATOM 910 C ASN A 56 6.645 -5.471 8.665 1.00 0.00 C ATOM 911 O ASN A 56 5.601 -6.036 8.922 1.00 0.00 O ATOM 912 CB ASN A 56 8.753 -6.392 9.680 1.00 0.00 C ATOM 913 CG ASN A 56 7.917 -7.085 10.756 1.00 0.00 C ATOM 914 OD1 ASN A 56 6.711 -7.175 10.641 1.00 0.00 O ATOM 915 ND2 ASN A 56 8.509 -7.580 11.808 1.00 0.00 N ATOM 0 H ASN A 56 9.750 -5.325 7.792 1.00 0.00 H new ATOM 0 HA ASN A 56 7.628 -7.231 8.004 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.660 -6.964 9.485 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.066 -5.407 10.026 1.00 0.00 H new ATOM 0 HD21 ASN A 56 7.959 -8.042 12.533 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.522 -7.505 11.906 1.00 0.00 H new ATOM 922 N ARG A 57 6.713 -4.170 8.608 1.00 0.00 N ATOM 923 CA ARG A 57 5.493 -3.349 8.860 1.00 0.00 C ATOM 924 C ARG A 57 4.418 -3.667 7.818 1.00 0.00 C ATOM 925 O ARG A 57 3.240 -3.479 8.050 1.00 0.00 O ATOM 926 CB ARG A 57 5.957 -1.899 8.728 1.00 0.00 C ATOM 927 CG ARG A 57 5.374 -1.069 9.873 1.00 0.00 C ATOM 928 CD ARG A 57 6.419 -0.063 10.359 1.00 0.00 C ATOM 929 NE ARG A 57 7.126 -0.752 11.474 1.00 0.00 N ATOM 930 CZ ARG A 57 8.157 -0.188 12.044 1.00 0.00 C ATOM 931 NH1 ARG A 57 8.571 0.981 11.637 1.00 0.00 N ATOM 932 NH2 ARG A 57 8.774 -0.794 13.021 1.00 0.00 N ATOM 0 H ARG A 57 7.558 -3.639 8.398 1.00 0.00 H new ATOM 0 HA ARG A 57 5.055 -3.548 9.838 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.046 -1.851 8.748 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.638 -1.490 7.769 1.00 0.00 H new ATOM 0 HG2 ARG A 57 4.479 -0.546 9.537 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.073 -1.722 10.693 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.110 0.206 9.560 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.950 0.860 10.699 1.00 0.00 H new ATOM 0 HE ARG A 57 6.805 -1.666 11.793 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.089 1.455 10.873 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.376 1.420 12.083 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.451 -1.708 13.339 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.579 -0.354 13.466 1.00 0.00 H new ATOM 946 N LEU A 58 4.814 -4.144 6.670 1.00 0.00 N ATOM 947 CA LEU A 58 3.813 -4.469 5.613 1.00 0.00 C ATOM 948 C LEU A 58 3.749 -5.983 5.385 1.00 0.00 C ATOM 949 O LEU A 58 2.684 -6.565 5.316 1.00 0.00 O ATOM 950 CB LEU A 58 4.321 -3.761 4.359 1.00 0.00 C ATOM 951 CG LEU A 58 3.197 -2.919 3.757 1.00 0.00 C ATOM 952 CD1 LEU A 58 3.747 -2.092 2.596 1.00 0.00 C ATOM 953 CD2 LEU A 58 2.088 -3.841 3.246 1.00 0.00 C ATOM 0 H LEU A 58 5.786 -4.323 6.418 1.00 0.00 H new ATOM 0 HA LEU A 58 2.808 -4.149 5.886 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.172 -3.127 4.607 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.670 -4.494 3.631 1.00 0.00 H new ATOM 0 HG LEU A 58 2.793 -2.252 4.519 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.946 -1.491 2.166 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.538 -1.436 2.959 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.150 -2.758 1.833 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.286 -3.241 2.816 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.491 -4.507 2.483 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.696 -4.432 4.074 1.00 0.00 H new ATOM 965 N ASN A 59 4.879 -6.624 5.267 1.00 0.00 N ATOM 966 CA ASN A 59 4.880 -8.098 5.043 1.00 0.00 C ATOM 967 C ASN A 59 4.090 -8.799 6.149 1.00 0.00 C ATOM 968 O ASN A 59 3.620 -9.908 5.983 1.00 0.00 O ATOM 969 CB ASN A 59 6.353 -8.506 5.091 1.00 0.00 C ATOM 970 CG ASN A 59 6.461 -10.032 5.117 1.00 0.00 C ATOM 971 OD1 ASN A 59 5.836 -10.682 5.932 1.00 0.00 O ATOM 972 ND2 ASN A 59 7.232 -10.634 4.255 1.00 0.00 N ATOM 0 H ASN A 59 5.801 -6.192 5.316 1.00 0.00 H new ATOM 0 HA ASN A 59 4.414 -8.373 4.097 1.00 0.00 H new ATOM 0 HB2 ASN A 59 6.880 -8.109 4.223 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.830 -8.082 5.975 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.311 -11.651 4.264 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.756 -10.088 3.571 1.00 0.00 H new ATOM 979 N ARG A 60 3.939 -8.161 7.277 1.00 0.00 N ATOM 980 CA ARG A 60 3.177 -8.791 8.394 1.00 0.00 C ATOM 981 C ARG A 60 1.676 -8.763 8.095 1.00 0.00 C ATOM 982 O ARG A 60 0.873 -9.276 8.849 1.00 0.00 O ATOM 983 CB ARG A 60 3.494 -7.934 9.620 1.00 0.00 C ATOM 984 CG ARG A 60 2.650 -8.406 10.805 1.00 0.00 C ATOM 985 CD ARG A 60 3.535 -8.520 12.049 1.00 0.00 C ATOM 986 NE ARG A 60 3.193 -9.841 12.644 1.00 0.00 N ATOM 987 CZ ARG A 60 3.580 -10.132 13.856 1.00 0.00 C ATOM 988 NH1 ARG A 60 4.269 -9.266 14.548 1.00 0.00 N ATOM 989 NH2 ARG A 60 3.277 -11.289 14.376 1.00 0.00 N ATOM 0 H ARG A 60 4.310 -7.231 7.474 1.00 0.00 H new ATOM 0 HA ARG A 60 3.451 -9.836 8.543 1.00 0.00 H new ATOM 0 HB2 ARG A 60 4.554 -8.006 9.863 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.287 -6.885 9.407 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.836 -7.704 10.988 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.195 -9.371 10.580 1.00 0.00 H new ATOM 0 HD2 ARG A 60 4.592 -8.466 11.788 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.338 -7.708 12.750 1.00 0.00 H new ATOM 0 HE ARG A 60 2.656 -10.519 12.104 1.00 0.00 H new ATOM 0 HH11 ARG A 60 4.505 -8.361 14.142 1.00 0.00 H new ATOM 0 HH12 ARG A 60 4.571 -9.494 15.495 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.738 -11.966 13.836 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.579 -11.517 15.323 1.00 0.00 H new ATOM 1003 N LEU A 61 1.290 -8.165 7.000 1.00 0.00 N ATOM 1004 CA LEU A 61 -0.160 -8.104 6.656 1.00 0.00 C ATOM 1005 C LEU A 61 -0.367 -8.406 5.170 1.00 0.00 C ATOM 1006 O LEU A 61 -0.549 -9.542 4.777 1.00 0.00 O ATOM 1007 CB LEU A 61 -0.584 -6.671 6.977 1.00 0.00 C ATOM 1008 CG LEU A 61 -1.293 -6.640 8.332 1.00 0.00 C ATOM 1009 CD1 LEU A 61 -0.264 -6.810 9.451 1.00 0.00 C ATOM 1010 CD2 LEU A 61 -2.011 -5.299 8.500 1.00 0.00 C ATOM 0 H LEU A 61 1.915 -7.717 6.330 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.746 -8.836 7.211 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.289 -6.018 6.996 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.247 -6.294 6.199 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.019 -7.451 8.381 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.769 -6.788 10.416 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.249 -7.764 9.332 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.463 -5.999 9.403 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.517 -5.276 9.465 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.284 -4.488 8.451 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.744 -5.177 7.703 1.00 0.00 H new ATOM 1022 N THR A 62 -0.344 -7.399 4.341 1.00 0.00 N ATOM 1023 CA THR A 62 -0.541 -7.631 2.881 1.00 0.00 C ATOM 1024 C THR A 62 0.757 -7.350 2.120 1.00 0.00 C ATOM 1025 O THR A 62 1.305 -6.268 2.187 1.00 0.00 O ATOM 1026 CB THR A 62 -1.631 -6.643 2.465 1.00 0.00 C ATOM 1027 OG1 THR A 62 -2.895 -7.124 2.901 1.00 0.00 O ATOM 1028 CG2 THR A 62 -1.637 -6.495 0.943 1.00 0.00 C ATOM 0 H THR A 62 -0.198 -6.426 4.610 1.00 0.00 H new ATOM 0 HA THR A 62 -0.820 -8.662 2.662 1.00 0.00 H new ATOM 0 HB THR A 62 -1.434 -5.672 2.920 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.977 -8.075 2.679 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.415 -5.790 0.649 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.667 -6.125 0.610 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.833 -7.464 0.484 1.00 0.00 H new ATOM 1036 N THR A 63 1.250 -8.315 1.394 1.00 0.00 N ATOM 1037 CA THR A 63 2.512 -8.101 0.628 1.00 0.00 C ATOM 1038 C THR A 63 2.279 -8.374 -0.861 1.00 0.00 C ATOM 1039 O THR A 63 3.141 -8.146 -1.684 1.00 0.00 O ATOM 1040 CB THR A 63 3.505 -9.108 1.209 1.00 0.00 C ATOM 1041 OG1 THR A 63 3.050 -9.537 2.485 1.00 0.00 O ATOM 1042 CG2 THR A 63 4.879 -8.451 1.350 1.00 0.00 C ATOM 0 H THR A 63 0.835 -9.242 1.297 1.00 0.00 H new ATOM 0 HA THR A 63 2.876 -7.077 0.710 1.00 0.00 H new ATOM 0 HB THR A 63 3.583 -9.967 0.542 1.00 0.00 H new ATOM 0 HG1 THR A 63 3.685 -10.184 2.858 1.00 0.00 H new ATOM 0 HG21 THR A 63 5.585 -9.170 1.764 1.00 0.00 H new ATOM 0 HG22 THR A 63 5.228 -8.123 0.371 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.805 -7.591 2.016 1.00 0.00 H new ATOM 1050 N ASP A 64 1.120 -8.858 -1.211 1.00 0.00 N ATOM 1051 CA ASP A 64 0.837 -9.146 -2.647 1.00 0.00 C ATOM 1052 C ASP A 64 0.908 -7.857 -3.471 1.00 0.00 C ATOM 1053 O ASP A 64 0.012 -7.037 -3.438 1.00 0.00 O ATOM 1054 CB ASP A 64 -0.581 -9.717 -2.664 1.00 0.00 C ATOM 1055 CG ASP A 64 -0.555 -11.131 -3.248 1.00 0.00 C ATOM 1056 OD1 ASP A 64 0.064 -11.989 -2.642 1.00 0.00 O ATOM 1057 OD2 ASP A 64 -1.154 -11.330 -4.292 1.00 0.00 O ATOM 0 H ASP A 64 0.357 -9.067 -0.567 1.00 0.00 H new ATOM 0 HA ASP A 64 1.560 -9.837 -3.079 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.988 -9.737 -1.653 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.234 -9.079 -3.259 1.00 0.00 H new ATOM 1062 N PHE A 65 1.972 -7.673 -4.207 1.00 0.00 N ATOM 1063 CA PHE A 65 2.106 -6.438 -5.033 1.00 0.00 C ATOM 1064 C PHE A 65 0.762 -6.077 -5.673 1.00 0.00 C ATOM 1065 O PHE A 65 0.384 -4.924 -5.737 1.00 0.00 O ATOM 1066 CB PHE A 65 3.134 -6.789 -6.111 1.00 0.00 C ATOM 1067 CG PHE A 65 4.531 -6.677 -5.546 1.00 0.00 C ATOM 1068 CD1 PHE A 65 4.862 -5.618 -4.691 1.00 0.00 C ATOM 1069 CD2 PHE A 65 5.497 -7.633 -5.882 1.00 0.00 C ATOM 1070 CE1 PHE A 65 6.160 -5.517 -4.173 1.00 0.00 C ATOM 1071 CE2 PHE A 65 6.794 -7.531 -5.364 1.00 0.00 C ATOM 1072 CZ PHE A 65 7.125 -6.473 -4.509 1.00 0.00 C ATOM 0 H PHE A 65 2.754 -8.325 -4.272 1.00 0.00 H new ATOM 0 HA PHE A 65 2.415 -5.579 -4.438 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.960 -7.801 -6.476 1.00 0.00 H new ATOM 0 HB3 PHE A 65 3.023 -6.119 -6.964 1.00 0.00 H new ATOM 0 HD1 PHE A 65 4.117 -4.880 -4.431 1.00 0.00 H new ATOM 0 HD2 PHE A 65 5.242 -8.450 -6.541 1.00 0.00 H new ATOM 0 HE1 PHE A 65 6.416 -4.701 -3.514 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.539 -8.268 -5.624 1.00 0.00 H new ATOM 0 HZ PHE A 65 8.125 -6.395 -4.109 1.00 0.00 H new ATOM 1082 N ASN A 66 0.038 -7.053 -6.151 1.00 0.00 N ATOM 1083 CA ASN A 66 -1.278 -6.757 -6.787 1.00 0.00 C ATOM 1084 C ASN A 66 -2.302 -6.347 -5.725 1.00 0.00 C ATOM 1085 O ASN A 66 -3.067 -5.421 -5.911 1.00 0.00 O ATOM 1086 CB ASN A 66 -1.696 -8.066 -7.457 1.00 0.00 C ATOM 1087 CG ASN A 66 -0.557 -8.575 -8.342 1.00 0.00 C ATOM 1088 OD1 ASN A 66 0.416 -9.112 -7.851 1.00 0.00 O ATOM 1089 ND2 ASN A 66 -0.636 -8.427 -9.636 1.00 0.00 N ATOM 0 H ASN A 66 0.299 -8.039 -6.129 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.216 -5.935 -7.500 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -1.943 -8.811 -6.701 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.593 -7.910 -8.056 1.00 0.00 H new ATOM 0 HD21 ASN A 66 0.119 -8.762 -10.235 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.453 -7.976 -10.049 1.00 0.00 H new ATOM 1096 N VAL A 67 -2.325 -7.028 -4.610 1.00 0.00 N ATOM 1097 CA VAL A 67 -3.303 -6.676 -3.539 1.00 0.00 C ATOM 1098 C VAL A 67 -2.916 -5.350 -2.879 1.00 0.00 C ATOM 1099 O VAL A 67 -3.750 -4.500 -2.636 1.00 0.00 O ATOM 1100 CB VAL A 67 -3.213 -7.822 -2.531 1.00 0.00 C ATOM 1101 CG1 VAL A 67 -4.190 -7.569 -1.382 1.00 0.00 C ATOM 1102 CG2 VAL A 67 -3.571 -9.138 -3.224 1.00 0.00 C ATOM 0 H VAL A 67 -1.709 -7.812 -4.395 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.313 -6.551 -3.929 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.198 -7.882 -2.138 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.126 -8.386 -0.663 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.936 -6.631 -0.888 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.205 -7.510 -1.774 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.507 -9.956 -2.507 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.586 -9.078 -3.617 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.875 -9.319 -4.043 1.00 0.00 H new ATOM 1112 N ILE A 68 -1.658 -5.168 -2.584 1.00 0.00 N ATOM 1113 CA ILE A 68 -1.217 -3.900 -1.937 1.00 0.00 C ATOM 1114 C ILE A 68 -1.483 -2.717 -2.866 1.00 0.00 C ATOM 1115 O ILE A 68 -2.005 -1.697 -2.461 1.00 0.00 O ATOM 1116 CB ILE A 68 0.285 -4.082 -1.709 1.00 0.00 C ATOM 1117 CG1 ILE A 68 0.784 -3.023 -0.718 1.00 0.00 C ATOM 1118 CG2 ILE A 68 1.034 -3.952 -3.037 1.00 0.00 C ATOM 1119 CD1 ILE A 68 1.986 -2.281 -1.309 1.00 0.00 C ATOM 0 H ILE A 68 -0.915 -5.844 -2.763 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.749 -3.697 -1.008 1.00 0.00 H new ATOM 0 HB ILE A 68 0.470 -5.074 -1.298 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.016 -2.317 -0.494 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.065 -3.496 0.223 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.103 -4.083 -2.866 1.00 0.00 H new ATOM 0 HG22 ILE A 68 0.681 -4.716 -3.730 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.853 -2.965 -3.462 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.335 -1.531 -0.600 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.788 -2.991 -1.511 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.691 -1.793 -2.238 1.00 0.00 H new ATOM 1131 N VAL A 69 -1.127 -2.851 -4.109 1.00 0.00 N ATOM 1132 CA VAL A 69 -1.356 -1.740 -5.078 1.00 0.00 C ATOM 1133 C VAL A 69 -2.847 -1.389 -5.139 1.00 0.00 C ATOM 1134 O VAL A 69 -3.219 -0.246 -5.309 1.00 0.00 O ATOM 1135 CB VAL A 69 -0.875 -2.284 -6.423 1.00 0.00 C ATOM 1136 CG1 VAL A 69 -1.479 -1.455 -7.558 1.00 0.00 C ATOM 1137 CG2 VAL A 69 0.652 -2.197 -6.489 1.00 0.00 C ATOM 0 H VAL A 69 -0.686 -3.683 -4.501 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.829 -0.829 -4.796 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.188 -3.323 -6.526 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.135 -1.844 -8.516 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.566 -1.513 -7.512 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.167 -0.416 -7.456 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.997 -2.584 -7.447 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.962 -1.157 -6.385 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.085 -2.787 -5.682 1.00 0.00 H new ATOM 1147 N GLU A 70 -3.700 -2.367 -5.005 1.00 0.00 N ATOM 1148 CA GLU A 70 -5.165 -2.094 -5.061 1.00 0.00 C ATOM 1149 C GLU A 70 -5.588 -1.174 -3.911 1.00 0.00 C ATOM 1150 O GLU A 70 -6.385 -0.273 -4.088 1.00 0.00 O ATOM 1151 CB GLU A 70 -5.828 -3.464 -4.919 1.00 0.00 C ATOM 1152 CG GLU A 70 -7.151 -3.474 -5.686 1.00 0.00 C ATOM 1153 CD GLU A 70 -6.979 -4.254 -6.991 1.00 0.00 C ATOM 1154 OE1 GLU A 70 -6.114 -3.886 -7.769 1.00 0.00 O ATOM 1155 OE2 GLU A 70 -7.714 -5.207 -7.191 1.00 0.00 O ATOM 0 H GLU A 70 -3.446 -3.344 -4.859 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.451 -1.592 -5.985 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.167 -4.241 -5.303 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.004 -3.687 -3.867 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.933 -3.930 -5.078 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.468 -2.453 -5.899 1.00 0.00 H new ATOM 1162 N ALA A 71 -5.071 -1.397 -2.734 1.00 0.00 N ATOM 1163 CA ALA A 71 -5.456 -0.535 -1.577 1.00 0.00 C ATOM 1164 C ALA A 71 -4.916 0.886 -1.762 1.00 0.00 C ATOM 1165 O ALA A 71 -5.644 1.853 -1.661 1.00 0.00 O ATOM 1166 CB ALA A 71 -4.817 -1.197 -0.356 1.00 0.00 C ATOM 0 H ALA A 71 -4.401 -2.136 -2.522 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.538 -0.448 -1.475 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.055 -0.620 0.537 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.204 -2.210 -0.247 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.735 -1.234 -0.486 1.00 0.00 H new ATOM 1172 N LEU A 72 -3.646 1.022 -2.031 1.00 0.00 N ATOM 1173 CA LEU A 72 -3.071 2.385 -2.220 1.00 0.00 C ATOM 1174 C LEU A 72 -3.636 3.026 -3.491 1.00 0.00 C ATOM 1175 O LEU A 72 -3.751 4.232 -3.590 1.00 0.00 O ATOM 1176 CB LEU A 72 -1.561 2.169 -2.343 1.00 0.00 C ATOM 1177 CG LEU A 72 -1.220 1.660 -3.744 1.00 0.00 C ATOM 1178 CD1 LEU A 72 -1.148 2.839 -4.715 1.00 0.00 C ATOM 1179 CD2 LEU A 72 0.135 0.948 -3.709 1.00 0.00 C ATOM 0 H LEU A 72 -2.984 0.252 -2.128 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.315 3.055 -1.396 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.034 3.103 -2.148 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.225 1.451 -1.594 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.992 0.965 -4.075 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.905 2.474 -5.713 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.111 3.349 -4.740 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.377 3.535 -4.385 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.381 0.584 -4.707 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.904 1.646 -3.378 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.086 0.107 -3.018 1.00 0.00 H new ATOM 1191 N SER A 73 -3.993 2.230 -4.462 1.00 0.00 N ATOM 1192 CA SER A 73 -4.553 2.796 -5.721 1.00 0.00 C ATOM 1193 C SER A 73 -5.799 3.631 -5.414 1.00 0.00 C ATOM 1194 O SER A 73 -6.249 4.416 -6.226 1.00 0.00 O ATOM 1195 CB SER A 73 -4.916 1.582 -6.574 1.00 0.00 C ATOM 1196 OG SER A 73 -6.163 1.815 -7.216 1.00 0.00 O ATOM 0 H SER A 73 -3.921 1.213 -4.437 1.00 0.00 H new ATOM 0 HA SER A 73 -3.848 3.453 -6.230 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.140 1.400 -7.317 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.976 0.690 -5.951 1.00 0.00 H new ATOM 0 HG SER A 73 -6.398 1.038 -7.766 1.00 0.00 H new ATOM 1202 N LYS A 74 -6.361 3.465 -4.248 1.00 0.00 N ATOM 1203 CA LYS A 74 -7.578 4.249 -3.886 1.00 0.00 C ATOM 1204 C LYS A 74 -7.236 5.300 -2.827 1.00 0.00 C ATOM 1205 O LYS A 74 -7.991 6.219 -2.584 1.00 0.00 O ATOM 1206 CB LYS A 74 -8.559 3.220 -3.323 1.00 0.00 C ATOM 1207 CG LYS A 74 -9.836 3.219 -4.164 1.00 0.00 C ATOM 1208 CD LYS A 74 -10.927 4.006 -3.435 1.00 0.00 C ATOM 1209 CE LYS A 74 -10.443 5.436 -3.182 1.00 0.00 C ATOM 1210 NZ LYS A 74 -11.648 6.289 -3.379 1.00 0.00 N ATOM 0 H LYS A 74 -6.031 2.821 -3.530 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.993 4.784 -4.740 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.106 2.229 -3.329 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.795 3.456 -2.285 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.642 3.664 -5.140 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.167 2.196 -4.341 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.840 4.020 -4.031 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.170 3.521 -2.490 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.042 5.545 -2.174 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.647 5.712 -3.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.397 7.286 -3.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.003 6.169 -4.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.387 6.008 -2.703 1.00 0.00 H new ATOM 1224 N SER A 75 -6.110 5.158 -2.181 1.00 0.00 N ATOM 1225 CA SER A 75 -5.725 6.134 -1.120 1.00 0.00 C ATOM 1226 C SER A 75 -5.716 7.562 -1.669 1.00 0.00 C ATOM 1227 O SER A 75 -5.568 7.789 -2.854 1.00 0.00 O ATOM 1228 CB SER A 75 -4.318 5.717 -0.694 1.00 0.00 C ATOM 1229 OG SER A 75 -3.365 6.523 -1.375 1.00 0.00 O ATOM 0 H SER A 75 -5.439 4.407 -2.342 1.00 0.00 H new ATOM 0 HA SER A 75 -6.429 6.127 -0.288 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.203 5.830 0.384 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.152 4.664 -0.924 1.00 0.00 H new ATOM 0 HG SER A 75 -3.184 6.140 -2.259 1.00 0.00 H new ATOM 1235 N LYS A 76 -5.874 8.525 -0.802 1.00 0.00 N ATOM 1236 CA LYS A 76 -5.878 9.947 -1.247 1.00 0.00 C ATOM 1237 C LYS A 76 -5.356 10.853 -0.128 1.00 0.00 C ATOM 1238 O LYS A 76 -5.938 11.872 0.182 1.00 0.00 O ATOM 1239 CB LYS A 76 -7.343 10.262 -1.552 1.00 0.00 C ATOM 1240 CG LYS A 76 -8.171 10.128 -0.273 1.00 0.00 C ATOM 1241 CD LYS A 76 -8.805 11.478 0.069 1.00 0.00 C ATOM 1242 CE LYS A 76 -9.697 11.931 -1.089 1.00 0.00 C ATOM 1243 NZ LYS A 76 -11.008 12.255 -0.460 1.00 0.00 N ATOM 0 H LYS A 76 -6.001 8.387 0.201 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.237 10.111 -2.113 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.433 11.272 -1.952 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -7.721 9.582 -2.315 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.946 9.374 -0.407 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.538 9.793 0.549 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.392 11.395 0.983 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.028 12.220 0.255 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.276 12.800 -1.595 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.801 11.146 -1.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.675 12.574 -1.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.387 11.407 0.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.878 13.010 0.243 1.00 0.00 H new ATOM 1257 N ALA A 77 -4.260 10.486 0.480 1.00 0.00 N ATOM 1258 CA ALA A 77 -3.701 11.327 1.579 1.00 0.00 C ATOM 1259 C ALA A 77 -2.735 12.352 1.013 1.00 0.00 C ATOM 1260 O ALA A 77 -1.952 12.958 1.716 1.00 0.00 O ATOM 1261 CB ALA A 77 -2.992 10.360 2.527 1.00 0.00 C ATOM 0 H ALA A 77 -3.728 9.643 0.264 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.478 11.884 2.102 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.559 10.917 3.358 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.710 9.635 2.911 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.201 9.837 1.989 1.00 0.00 H new ATOM 1267 N GLU A 78 -2.799 12.538 -0.257 1.00 0.00 N ATOM 1268 CA GLU A 78 -1.901 13.519 -0.923 1.00 0.00 C ATOM 1269 C GLU A 78 -0.456 13.307 -0.468 1.00 0.00 C ATOM 1270 O GLU A 78 -0.142 12.343 0.202 1.00 0.00 O ATOM 1271 CB GLU A 78 -2.410 14.890 -0.478 1.00 0.00 C ATOM 1272 CG GLU A 78 -3.101 15.585 -1.651 1.00 0.00 C ATOM 1273 CD GLU A 78 -4.461 16.121 -1.198 1.00 0.00 C ATOM 1274 OE1 GLU A 78 -4.674 16.201 0.000 1.00 0.00 O ATOM 1275 OE2 GLU A 78 -5.265 16.442 -2.057 1.00 0.00 O ATOM 0 H GLU A 78 -3.441 12.050 -0.881 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.909 13.416 -2.008 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.106 14.779 0.353 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -1.580 15.499 -0.119 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.481 16.402 -2.020 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.231 14.885 -2.477 1.00 0.00 H new ATOM 1282 N LEU A 79 0.427 14.199 -0.833 1.00 0.00 N ATOM 1283 CA LEU A 79 1.858 14.060 -0.427 1.00 0.00 C ATOM 1284 C LEU A 79 2.487 12.807 -1.053 1.00 0.00 C ATOM 1285 O LEU A 79 3.673 12.576 -0.929 1.00 0.00 O ATOM 1286 CB LEU A 79 1.831 13.949 1.102 1.00 0.00 C ATOM 1287 CG LEU A 79 3.080 13.208 1.588 1.00 0.00 C ATOM 1288 CD1 LEU A 79 3.373 13.595 3.038 1.00 0.00 C ATOM 1289 CD2 LEU A 79 2.841 11.698 1.504 1.00 0.00 C ATOM 0 H LEU A 79 0.218 15.022 -1.398 1.00 0.00 H new ATOM 0 HA LEU A 79 2.459 14.905 -0.764 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.790 14.943 1.548 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.934 13.419 1.422 1.00 0.00 H new ATOM 0 HG LEU A 79 3.929 13.479 0.961 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.262 13.067 3.383 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.542 14.670 3.101 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.524 13.324 3.666 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.729 11.169 1.850 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.991 11.429 2.131 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.632 11.420 0.471 1.00 0.00 H new ATOM 1301 N MET A 80 1.712 11.994 -1.719 1.00 0.00 N ATOM 1302 CA MET A 80 2.283 10.765 -2.338 1.00 0.00 C ATOM 1303 C MET A 80 2.027 10.759 -3.847 1.00 0.00 C ATOM 1304 O MET A 80 1.214 11.508 -4.352 1.00 0.00 O ATOM 1305 CB MET A 80 1.545 9.606 -1.667 1.00 0.00 C ATOM 1306 CG MET A 80 2.521 8.813 -0.797 1.00 0.00 C ATOM 1307 SD MET A 80 2.485 7.071 -1.285 1.00 0.00 S ATOM 1308 CE MET A 80 4.229 6.712 -0.965 1.00 0.00 C ATOM 0 H MET A 80 0.711 12.128 -1.861 1.00 0.00 H new ATOM 0 HA MET A 80 3.362 10.699 -2.201 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.726 9.987 -1.058 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.104 8.956 -2.423 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.529 9.212 -0.907 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.252 8.913 0.254 1.00 0.00 H new ATOM 0 HE1 MET A 80 4.359 5.640 -0.819 1.00 0.00 H new ATOM 0 HE2 MET A 80 4.829 7.038 -1.814 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.551 7.242 -0.068 1.00 0.00 H new ATOM 1318 N GLU A 81 2.715 9.919 -4.570 1.00 0.00 N ATOM 1319 CA GLU A 81 2.512 9.863 -6.046 1.00 0.00 C ATOM 1320 C GLU A 81 2.900 8.481 -6.577 1.00 0.00 C ATOM 1321 O GLU A 81 3.908 7.920 -6.197 1.00 0.00 O ATOM 1322 CB GLU A 81 3.439 10.937 -6.616 1.00 0.00 C ATOM 1323 CG GLU A 81 2.694 11.741 -7.683 1.00 0.00 C ATOM 1324 CD GLU A 81 1.862 12.835 -7.010 1.00 0.00 C ATOM 1325 OE1 GLU A 81 0.739 12.548 -6.630 1.00 0.00 O ATOM 1326 OE2 GLU A 81 2.362 13.941 -6.887 1.00 0.00 O ATOM 0 H GLU A 81 3.409 9.268 -4.203 1.00 0.00 H new ATOM 0 HA GLU A 81 1.473 10.033 -6.328 1.00 0.00 H new ATOM 0 HB2 GLU A 81 3.780 11.598 -5.819 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.326 10.474 -7.048 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.404 12.186 -8.380 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.047 11.083 -8.264 1.00 0.00 H new ATOM 1333 N ILE A 82 2.108 7.927 -7.452 1.00 0.00 N ATOM 1334 CA ILE A 82 2.433 6.580 -8.004 1.00 0.00 C ATOM 1335 C ILE A 82 2.582 6.654 -9.526 1.00 0.00 C ATOM 1336 O ILE A 82 1.856 7.361 -10.196 1.00 0.00 O ATOM 1337 CB ILE A 82 1.244 5.699 -7.622 1.00 0.00 C ATOM 1338 CG1 ILE A 82 0.860 5.967 -6.164 1.00 0.00 C ATOM 1339 CG2 ILE A 82 1.627 4.228 -7.783 1.00 0.00 C ATOM 1340 CD1 ILE A 82 -0.068 7.181 -6.094 1.00 0.00 C ATOM 0 H ILE A 82 1.250 8.347 -7.809 1.00 0.00 H new ATOM 0 HA ILE A 82 3.372 6.188 -7.613 1.00 0.00 H new ATOM 0 HB ILE A 82 0.399 5.928 -8.271 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.365 5.093 -5.741 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.755 6.146 -5.568 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.779 3.599 -7.511 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.903 4.035 -8.820 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.472 3.999 -7.134 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.341 7.371 -5.056 1.00 0.00 H new ATOM 0 HD12 ILE A 82 0.443 8.054 -6.500 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.969 6.985 -6.676 1.00 0.00 H new ATOM 1352 N SER A 83 3.517 5.929 -10.076 1.00 0.00 N ATOM 1353 CA SER A 83 3.710 5.960 -11.555 1.00 0.00 C ATOM 1354 C SER A 83 2.469 5.410 -12.263 1.00 0.00 C ATOM 1355 O SER A 83 1.412 5.285 -11.677 1.00 0.00 O ATOM 1356 CB SER A 83 4.920 5.066 -11.819 1.00 0.00 C ATOM 1357 OG SER A 83 5.802 5.724 -12.719 1.00 0.00 O ATOM 0 H SER A 83 4.155 5.317 -9.567 1.00 0.00 H new ATOM 0 HA SER A 83 3.865 6.972 -11.928 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.434 4.845 -10.884 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.598 4.113 -12.239 1.00 0.00 H new ATOM 0 HG SER A 83 6.581 5.154 -12.889 1.00 0.00 H new ATOM 1363 N GLU A 84 2.587 5.087 -13.521 1.00 0.00 N ATOM 1364 CA GLU A 84 1.413 4.552 -14.269 1.00 0.00 C ATOM 1365 C GLU A 84 1.256 3.046 -14.029 1.00 0.00 C ATOM 1366 O GLU A 84 0.225 2.470 -14.318 1.00 0.00 O ATOM 1367 CB GLU A 84 1.721 4.830 -15.740 1.00 0.00 C ATOM 1368 CG GLU A 84 1.649 6.335 -16.002 1.00 0.00 C ATOM 1369 CD GLU A 84 0.339 6.667 -16.720 1.00 0.00 C ATOM 1370 OE1 GLU A 84 -0.650 6.010 -16.438 1.00 0.00 O ATOM 1371 OE2 GLU A 84 0.348 7.571 -17.537 1.00 0.00 O ATOM 0 H GLU A 84 3.446 5.170 -14.065 1.00 0.00 H new ATOM 0 HA GLU A 84 0.480 5.017 -13.949 1.00 0.00 H new ATOM 0 HB2 GLU A 84 2.712 4.453 -15.992 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.009 4.305 -16.377 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.709 6.882 -15.061 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.498 6.650 -16.608 1.00 0.00 H new ATOM 1378 N ASP A 85 2.266 2.400 -13.511 1.00 0.00 N ATOM 1379 CA ASP A 85 2.156 0.930 -13.270 1.00 0.00 C ATOM 1380 C ASP A 85 1.591 0.656 -11.872 1.00 0.00 C ATOM 1381 O ASP A 85 1.198 -0.451 -11.561 1.00 0.00 O ATOM 1382 CB ASP A 85 3.587 0.404 -13.383 1.00 0.00 C ATOM 1383 CG ASP A 85 3.570 -0.997 -13.998 1.00 0.00 C ATOM 1384 OD1 ASP A 85 2.535 -1.382 -14.517 1.00 0.00 O ATOM 1385 OD2 ASP A 85 4.592 -1.660 -13.940 1.00 0.00 O ATOM 0 H ASP A 85 3.156 2.821 -13.246 1.00 0.00 H new ATOM 0 HA ASP A 85 1.484 0.447 -13.979 1.00 0.00 H new ATOM 0 HB2 ASP A 85 4.185 1.076 -13.999 1.00 0.00 H new ATOM 0 HB3 ASP A 85 4.054 0.375 -12.398 1.00 0.00 H new ATOM 1390 N LYS A 86 1.541 1.651 -11.031 1.00 0.00 N ATOM 1391 CA LYS A 86 0.997 1.440 -9.658 1.00 0.00 C ATOM 1392 C LYS A 86 1.894 0.483 -8.865 1.00 0.00 C ATOM 1393 O LYS A 86 1.545 0.041 -7.788 1.00 0.00 O ATOM 1394 CB LYS A 86 -0.386 0.823 -9.872 1.00 0.00 C ATOM 1395 CG LYS A 86 -1.443 1.687 -9.183 1.00 0.00 C ATOM 1396 CD LYS A 86 -2.479 2.146 -10.212 1.00 0.00 C ATOM 1397 CE LYS A 86 -1.817 3.095 -11.214 1.00 0.00 C ATOM 1398 NZ LYS A 86 -2.244 2.598 -12.551 1.00 0.00 N ATOM 0 H LYS A 86 1.853 2.601 -11.234 1.00 0.00 H new ATOM 0 HA LYS A 86 0.949 2.369 -9.089 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.601 0.748 -10.938 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.410 -0.190 -9.470 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.930 1.120 -8.389 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.972 2.552 -8.715 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.897 1.284 -10.732 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.307 2.648 -9.711 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.137 4.125 -11.054 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -0.732 3.080 -11.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.421 2.559 -13.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.652 1.646 -12.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.958 3.241 -12.949 1.00 0.00 H new ATOM 1412 N THR A 87 3.045 0.159 -9.387 1.00 0.00 N ATOM 1413 CA THR A 87 3.959 -0.771 -8.658 1.00 0.00 C ATOM 1414 C THR A 87 5.121 0.008 -8.035 1.00 0.00 C ATOM 1415 O THR A 87 6.215 -0.500 -7.888 1.00 0.00 O ATOM 1416 CB THR A 87 4.474 -1.738 -9.726 1.00 0.00 C ATOM 1417 OG1 THR A 87 5.295 -1.032 -10.645 1.00 0.00 O ATOM 1418 CG2 THR A 87 3.290 -2.359 -10.468 1.00 0.00 C ATOM 0 H THR A 87 3.393 0.496 -10.285 1.00 0.00 H new ATOM 0 HA THR A 87 3.454 -1.292 -7.845 1.00 0.00 H new ATOM 0 HB THR A 87 5.056 -2.528 -9.251 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.627 -1.650 -11.329 1.00 0.00 H new ATOM 0 HG21 THR A 87 3.658 -3.048 -11.229 1.00 0.00 H new ATOM 0 HG22 THR A 87 2.661 -2.901 -9.761 1.00 0.00 H new ATOM 0 HG23 THR A 87 2.705 -1.572 -10.944 1.00 0.00 H new ATOM 1426 N LYS A 88 4.893 1.240 -7.675 1.00 0.00 N ATOM 1427 CA LYS A 88 5.982 2.059 -7.069 1.00 0.00 C ATOM 1428 C LYS A 88 5.389 3.258 -6.322 1.00 0.00 C ATOM 1429 O LYS A 88 4.295 3.699 -6.611 1.00 0.00 O ATOM 1430 CB LYS A 88 6.843 2.517 -8.245 1.00 0.00 C ATOM 1431 CG LYS A 88 6.016 3.413 -9.167 1.00 0.00 C ATOM 1432 CD LYS A 88 5.365 2.558 -10.256 1.00 0.00 C ATOM 1433 CE LYS A 88 6.388 2.268 -11.357 1.00 0.00 C ATOM 1434 NZ LYS A 88 5.595 2.206 -12.617 1.00 0.00 N ATOM 0 H LYS A 88 3.997 1.717 -7.774 1.00 0.00 H new ATOM 0 HA LYS A 88 6.567 1.496 -6.342 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.715 3.059 -7.881 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.213 1.653 -8.797 1.00 0.00 H new ATOM 0 HG2 LYS A 88 5.251 3.936 -8.594 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.652 4.175 -9.619 1.00 0.00 H new ATOM 0 HD2 LYS A 88 4.999 1.624 -9.830 1.00 0.00 H new ATOM 0 HD3 LYS A 88 4.502 3.077 -10.674 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.146 3.050 -11.406 1.00 0.00 H new ATOM 0 HE3 LYS A 88 6.910 1.329 -11.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 5.836 1.338 -13.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 4.580 2.203 -12.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 5.815 3.034 -13.207 1.00 0.00 H new ATOM 1448 N ILE A 89 6.108 3.799 -5.377 1.00 0.00 N ATOM 1449 CA ILE A 89 5.589 4.980 -4.627 1.00 0.00 C ATOM 1450 C ILE A 89 6.692 6.038 -4.511 1.00 0.00 C ATOM 1451 O ILE A 89 7.865 5.726 -4.520 1.00 0.00 O ATOM 1452 CB ILE A 89 5.195 4.443 -3.250 1.00 0.00 C ATOM 1453 CG1 ILE A 89 6.442 3.955 -2.511 1.00 0.00 C ATOM 1454 CG2 ILE A 89 4.218 3.278 -3.418 1.00 0.00 C ATOM 1455 CD1 ILE A 89 6.029 3.288 -1.197 1.00 0.00 C ATOM 0 H ILE A 89 7.032 3.475 -5.091 1.00 0.00 H new ATOM 0 HA ILE A 89 4.741 5.453 -5.122 1.00 0.00 H new ATOM 0 HB ILE A 89 4.721 5.239 -2.675 1.00 0.00 H new ATOM 0 HG12 ILE A 89 6.993 3.249 -3.132 1.00 0.00 H new ATOM 0 HG13 ILE A 89 7.110 4.793 -2.312 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.937 2.895 -2.437 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.327 3.623 -3.942 1.00 0.00 H new ATOM 0 HG23 ILE A 89 4.693 2.485 -3.995 1.00 0.00 H new ATOM 0 HD11 ILE A 89 6.918 2.940 -0.670 1.00 0.00 H new ATOM 0 HD12 ILE A 89 5.497 4.008 -0.575 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.378 2.440 -1.408 1.00 0.00 H new ATOM 1467 N ARG A 90 6.331 7.290 -4.421 1.00 0.00 N ATOM 1468 CA ARG A 90 7.375 8.353 -4.326 1.00 0.00 C ATOM 1469 C ARG A 90 6.858 9.562 -3.541 1.00 0.00 C ATOM 1470 O ARG A 90 5.669 9.785 -3.432 1.00 0.00 O ATOM 1471 CB ARG A 90 7.668 8.749 -5.772 1.00 0.00 C ATOM 1472 CG ARG A 90 6.437 9.432 -6.372 1.00 0.00 C ATOM 1473 CD ARG A 90 6.614 10.950 -6.317 1.00 0.00 C ATOM 1474 NE ARG A 90 7.126 11.323 -7.666 1.00 0.00 N ATOM 1475 CZ ARG A 90 6.795 12.468 -8.203 1.00 0.00 C ATOM 1476 NH1 ARG A 90 6.017 13.296 -7.561 1.00 0.00 N ATOM 1477 NH2 ARG A 90 7.247 12.786 -9.386 1.00 0.00 N ATOM 0 H ARG A 90 5.367 7.622 -4.409 1.00 0.00 H new ATOM 0 HA ARG A 90 8.263 7.999 -3.803 1.00 0.00 H new ATOM 0 HB2 ARG A 90 8.525 9.421 -5.810 1.00 0.00 H new ATOM 0 HB3 ARG A 90 7.929 7.867 -6.356 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.296 9.109 -7.404 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.542 9.140 -5.822 1.00 0.00 H new ATOM 0 HD2 ARG A 90 5.670 11.451 -6.100 1.00 0.00 H new ATOM 0 HD3 ARG A 90 7.315 11.238 -5.534 1.00 0.00 H new ATOM 0 HE ARG A 90 7.737 10.682 -8.172 1.00 0.00 H new ATOM 0 HH11 ARG A 90 5.664 13.051 -6.636 1.00 0.00 H new ATOM 0 HH12 ARG A 90 5.762 14.188 -7.984 1.00 0.00 H new ATOM 0 HH21 ARG A 90 7.857 12.142 -9.889 1.00 0.00 H new ATOM 0 HH22 ARG A 90 6.990 13.679 -9.807 1.00 0.00 H new ATOM 1491 N ARG A 91 7.750 10.357 -3.013 1.00 0.00 N ATOM 1492 CA ARG A 91 7.326 11.570 -2.259 1.00 0.00 C ATOM 1493 C ARG A 91 7.177 12.737 -3.237 1.00 0.00 C ATOM 1494 O ARG A 91 8.005 12.937 -4.102 1.00 0.00 O ATOM 1495 CB ARG A 91 8.457 11.834 -1.259 1.00 0.00 C ATOM 1496 CG ARG A 91 8.426 13.297 -0.801 1.00 0.00 C ATOM 1497 CD ARG A 91 7.723 13.396 0.554 1.00 0.00 C ATOM 1498 NE ARG A 91 6.725 14.490 0.389 1.00 0.00 N ATOM 1499 CZ ARG A 91 6.030 14.902 1.414 1.00 0.00 C ATOM 1500 NH1 ARG A 91 6.201 14.352 2.586 1.00 0.00 N ATOM 1501 NH2 ARG A 91 5.162 15.866 1.268 1.00 0.00 N ATOM 0 H ARG A 91 8.759 10.217 -3.072 1.00 0.00 H new ATOM 0 HA ARG A 91 6.370 11.445 -1.750 1.00 0.00 H new ATOM 0 HB2 ARG A 91 8.353 11.173 -0.398 1.00 0.00 H new ATOM 0 HB3 ARG A 91 9.419 11.609 -1.719 1.00 0.00 H new ATOM 0 HG2 ARG A 91 9.441 13.686 -0.725 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.905 13.908 -1.538 1.00 0.00 H new ATOM 0 HD2 ARG A 91 7.239 12.456 0.817 1.00 0.00 H new ATOM 0 HD3 ARG A 91 8.431 13.624 1.351 1.00 0.00 H new ATOM 0 HE ARG A 91 6.585 14.918 -0.526 1.00 0.00 H new ATOM 0 HH11 ARG A 91 6.879 13.599 2.702 1.00 0.00 H new ATOM 0 HH12 ARG A 91 5.657 14.676 3.386 1.00 0.00 H new ATOM 0 HH21 ARG A 91 5.027 16.297 0.353 1.00 0.00 H new ATOM 0 HH22 ARG A 91 4.618 16.188 2.069 1.00 0.00 H new ATOM 1515 N SER A 92 6.132 13.506 -3.114 1.00 0.00 N ATOM 1516 CA SER A 92 5.943 14.649 -4.049 1.00 0.00 C ATOM 1517 C SER A 92 7.056 15.681 -3.852 1.00 0.00 C ATOM 1518 O SER A 92 7.087 16.378 -2.857 1.00 0.00 O ATOM 1519 CB SER A 92 4.587 15.246 -3.677 1.00 0.00 C ATOM 1520 OG SER A 92 4.374 16.433 -4.428 1.00 0.00 O ATOM 0 H SER A 92 5.403 13.393 -2.409 1.00 0.00 H new ATOM 0 HA SER A 92 5.978 14.339 -5.093 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.793 14.527 -3.879 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.554 15.466 -2.610 1.00 0.00 H new ATOM 0 HG SER A 92 3.484 16.791 -4.228 1.00 0.00 H new ATOM 1526 N PRO A 93 7.933 15.745 -4.817 1.00 0.00 N ATOM 1527 CA PRO A 93 9.058 16.707 -4.753 1.00 0.00 C ATOM 1528 C PRO A 93 8.507 18.130 -4.786 1.00 0.00 C ATOM 1529 O PRO A 93 9.120 19.062 -4.304 1.00 0.00 O ATOM 1530 CB PRO A 93 9.873 16.412 -6.013 1.00 0.00 C ATOM 1531 CG PRO A 93 8.942 15.669 -6.919 1.00 0.00 C ATOM 1532 CD PRO A 93 7.958 14.945 -6.042 1.00 0.00 C ATOM 0 HA PRO A 93 9.657 16.615 -3.847 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.224 17.333 -6.479 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.755 15.816 -5.780 1.00 0.00 H new ATOM 0 HG2 PRO A 93 8.427 16.356 -7.590 1.00 0.00 H new ATOM 0 HG3 PRO A 93 9.492 14.965 -7.544 1.00 0.00 H new ATOM 0 HD2 PRO A 93 6.973 14.891 -6.505 1.00 0.00 H new ATOM 0 HD3 PRO A 93 8.275 13.921 -5.845 1.00 0.00 H new ATOM 1540 N SER A 94 7.342 18.297 -5.347 1.00 0.00 N ATOM 1541 CA SER A 94 6.730 19.649 -5.412 1.00 0.00 C ATOM 1542 C SER A 94 5.966 19.937 -4.119 1.00 0.00 C ATOM 1543 O SER A 94 5.374 20.986 -3.960 1.00 0.00 O ATOM 1544 CB SER A 94 5.771 19.596 -6.600 1.00 0.00 C ATOM 1545 OG SER A 94 6.502 19.285 -7.779 1.00 0.00 O ATOM 0 H SER A 94 6.787 17.550 -5.765 1.00 0.00 H new ATOM 0 HA SER A 94 7.475 20.436 -5.528 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.000 18.845 -6.427 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.263 20.553 -6.715 1.00 0.00 H new ATOM 0 HG SER A 94 5.890 19.248 -8.543 1.00 0.00 H new ATOM 1551 N LYS A 95 5.985 19.022 -3.185 1.00 0.00 N ATOM 1552 CA LYS A 95 5.272 19.258 -1.898 1.00 0.00 C ATOM 1553 C LYS A 95 6.279 19.242 -0.744 1.00 0.00 C ATOM 1554 O LYS A 95 7.154 18.399 -0.699 1.00 0.00 O ATOM 1555 CB LYS A 95 4.286 18.096 -1.770 1.00 0.00 C ATOM 1556 CG LYS A 95 2.862 18.608 -1.996 1.00 0.00 C ATOM 1557 CD LYS A 95 1.871 17.453 -1.835 1.00 0.00 C ATOM 1558 CE LYS A 95 1.139 17.592 -0.499 1.00 0.00 C ATOM 1559 NZ LYS A 95 2.183 17.361 0.538 1.00 0.00 N ATOM 0 H LYS A 95 6.463 18.124 -3.259 1.00 0.00 H new ATOM 0 HA LYS A 95 4.763 20.221 -1.870 1.00 0.00 H new ATOM 0 HB2 LYS A 95 4.525 17.321 -2.498 1.00 0.00 H new ATOM 0 HB3 LYS A 95 4.368 17.642 -0.782 1.00 0.00 H new ATOM 0 HG2 LYS A 95 2.632 19.400 -1.284 1.00 0.00 H new ATOM 0 HG3 LYS A 95 2.774 19.040 -2.993 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.155 17.457 -2.657 1.00 0.00 H new ATOM 0 HD3 LYS A 95 2.398 16.499 -1.876 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.691 18.580 -0.395 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.331 16.866 -0.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 1.729 17.087 1.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 2.820 16.600 0.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 2.730 18.234 0.680 1.00 0.00 H new ATOM 1573 N PRO A 96 6.126 20.177 0.149 1.00 0.00 N ATOM 1574 CA PRO A 96 7.038 20.275 1.312 1.00 0.00 C ATOM 1575 C PRO A 96 6.855 19.086 2.255 1.00 0.00 C ATOM 1576 O PRO A 96 5.774 18.553 2.405 1.00 0.00 O ATOM 1577 CB PRO A 96 6.635 21.564 2.007 1.00 0.00 C ATOM 1578 CG PRO A 96 5.248 21.861 1.522 1.00 0.00 C ATOM 1579 CD PRO A 96 5.101 21.224 0.163 1.00 0.00 C ATOM 0 HA PRO A 96 8.085 20.270 1.009 1.00 0.00 H new ATOM 0 HB2 PRO A 96 6.656 21.449 3.091 1.00 0.00 H new ATOM 0 HB3 PRO A 96 7.320 22.375 1.759 1.00 0.00 H new ATOM 0 HG2 PRO A 96 4.506 21.464 2.215 1.00 0.00 H new ATOM 0 HG3 PRO A 96 5.084 22.937 1.462 1.00 0.00 H new ATOM 0 HD2 PRO A 96 4.103 20.808 0.023 1.00 0.00 H new ATOM 0 HD3 PRO A 96 5.259 21.948 -0.636 1.00 0.00 H new ATOM 1587 N LEU A 97 7.905 18.697 2.915 1.00 0.00 N ATOM 1588 CA LEU A 97 7.815 17.576 3.882 1.00 0.00 C ATOM 1589 C LEU A 97 8.265 18.086 5.242 1.00 0.00 C ATOM 1590 O LEU A 97 9.383 18.527 5.412 1.00 0.00 O ATOM 1591 CB LEU A 97 8.719 16.457 3.359 1.00 0.00 C ATOM 1592 CG LEU A 97 10.090 16.499 4.041 1.00 0.00 C ATOM 1593 CD1 LEU A 97 9.968 15.958 5.469 1.00 0.00 C ATOM 1594 CD2 LEU A 97 11.073 15.628 3.255 1.00 0.00 C ATOM 0 H LEU A 97 8.832 19.113 2.824 1.00 0.00 H new ATOM 0 HA LEU A 97 6.801 17.190 3.988 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.249 15.490 3.538 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.841 16.557 2.281 1.00 0.00 H new ATOM 0 HG LEU A 97 10.450 17.527 4.070 1.00 0.00 H new ATOM 0 HD11 LEU A 97 10.944 15.988 5.954 1.00 0.00 H new ATOM 0 HD12 LEU A 97 9.264 16.571 6.032 1.00 0.00 H new ATOM 0 HD13 LEU A 97 9.609 14.929 5.439 1.00 0.00 H new ATOM 0 HD21 LEU A 97 12.050 15.656 3.738 1.00 0.00 H new ATOM 0 HD22 LEU A 97 10.709 14.601 3.230 1.00 0.00 H new ATOM 0 HD23 LEU A 97 11.161 16.007 2.237 1.00 0.00 H new ATOM 1606 N PRO A 98 7.355 18.048 6.147 1.00 0.00 N ATOM 1607 CA PRO A 98 7.599 18.549 7.505 1.00 0.00 C ATOM 1608 C PRO A 98 8.083 17.442 8.439 1.00 0.00 C ATOM 1609 O PRO A 98 7.842 16.271 8.220 1.00 0.00 O ATOM 1610 CB PRO A 98 6.223 19.020 7.887 1.00 0.00 C ATOM 1611 CG PRO A 98 5.314 18.002 7.265 1.00 0.00 C ATOM 1612 CD PRO A 98 5.991 17.539 6.002 1.00 0.00 C ATOM 0 HA PRO A 98 8.374 19.313 7.565 1.00 0.00 H new ATOM 0 HB2 PRO A 98 6.099 19.059 8.969 1.00 0.00 H new ATOM 0 HB3 PRO A 98 6.023 20.022 7.507 1.00 0.00 H new ATOM 0 HG2 PRO A 98 5.146 17.166 7.944 1.00 0.00 H new ATOM 0 HG3 PRO A 98 4.338 18.436 7.046 1.00 0.00 H new ATOM 0 HD2 PRO A 98 5.974 16.453 5.911 1.00 0.00 H new ATOM 0 HD3 PRO A 98 5.504 17.941 5.114 1.00 0.00 H new ATOM 1620 N GLU A 99 8.764 17.816 9.482 1.00 0.00 N ATOM 1621 CA GLU A 99 9.276 16.808 10.453 1.00 0.00 C ATOM 1622 C GLU A 99 8.616 17.014 11.820 1.00 0.00 C ATOM 1623 O GLU A 99 8.276 18.119 12.194 1.00 0.00 O ATOM 1624 CB GLU A 99 10.780 17.070 10.537 1.00 0.00 C ATOM 1625 CG GLU A 99 11.456 15.932 11.304 1.00 0.00 C ATOM 1626 CD GLU A 99 11.965 16.455 12.649 1.00 0.00 C ATOM 1627 OE1 GLU A 99 11.279 17.271 13.242 1.00 0.00 O ATOM 1628 OE2 GLU A 99 13.031 16.030 13.063 1.00 0.00 O ATOM 0 H GLU A 99 8.991 18.785 9.707 1.00 0.00 H new ATOM 0 HA GLU A 99 9.058 15.785 10.145 1.00 0.00 H new ATOM 0 HB2 GLU A 99 11.202 17.148 9.535 1.00 0.00 H new ATOM 0 HB3 GLU A 99 10.967 18.020 11.037 1.00 0.00 H new ATOM 0 HG2 GLU A 99 10.750 15.116 11.462 1.00 0.00 H new ATOM 0 HG3 GLU A 99 12.284 15.528 10.722 1.00 0.00 H new ATOM 1635 N VAL A 100 8.431 15.961 12.568 1.00 0.00 N ATOM 1636 CA VAL A 100 7.792 16.104 13.908 1.00 0.00 C ATOM 1637 C VAL A 100 8.858 16.344 14.981 1.00 0.00 C ATOM 1638 O VAL A 100 9.913 15.741 14.969 1.00 0.00 O ATOM 1639 CB VAL A 100 7.076 14.774 14.150 1.00 0.00 C ATOM 1640 CG1 VAL A 100 6.096 14.507 13.006 1.00 0.00 C ATOM 1641 CG2 VAL A 100 8.107 13.645 14.212 1.00 0.00 C ATOM 0 H VAL A 100 8.694 15.010 12.311 1.00 0.00 H new ATOM 0 HA VAL A 100 7.105 16.950 13.949 1.00 0.00 H new ATOM 0 HB VAL A 100 6.530 14.821 15.092 1.00 0.00 H new ATOM 0 HG11 VAL A 100 5.586 13.559 13.178 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.362 15.312 12.960 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.641 14.460 12.063 1.00 0.00 H new ATOM 0 HG21 VAL A 100 7.598 12.697 14.384 1.00 0.00 H new ATOM 0 HG22 VAL A 100 8.652 13.598 13.269 1.00 0.00 H new ATOM 0 HG23 VAL A 100 8.806 13.835 15.026 1.00 0.00 H new ATOM 1651 N THR A 101 8.591 17.223 15.909 1.00 0.00 N ATOM 1652 CA THR A 101 9.590 17.502 16.981 1.00 0.00 C ATOM 1653 C THR A 101 9.010 17.136 18.350 1.00 0.00 C ATOM 1654 O THR A 101 7.814 17.179 18.561 1.00 0.00 O ATOM 1655 CB THR A 101 9.853 19.006 16.895 1.00 0.00 C ATOM 1656 OG1 THR A 101 8.631 19.685 16.643 1.00 0.00 O ATOM 1657 CG2 THR A 101 10.839 19.288 15.759 1.00 0.00 C ATOM 0 H THR A 101 7.726 17.759 15.971 1.00 0.00 H new ATOM 0 HA THR A 101 10.504 16.921 16.857 1.00 0.00 H new ATOM 0 HB THR A 101 10.276 19.356 17.837 1.00 0.00 H new ATOM 0 HG1 THR A 101 8.798 20.649 16.589 1.00 0.00 H new ATOM 0 HG21 THR A 101 11.026 20.360 15.698 1.00 0.00 H new ATOM 0 HG22 THR A 101 11.776 18.766 15.953 1.00 0.00 H new ATOM 0 HG23 THR A 101 10.418 18.939 14.816 1.00 0.00 H new ATOM 1665 N ASP A 102 9.848 16.775 19.284 1.00 0.00 N ATOM 1666 CA ASP A 102 9.343 16.406 20.638 1.00 0.00 C ATOM 1667 C ASP A 102 9.393 17.621 21.569 1.00 0.00 C ATOM 1668 O ASP A 102 10.319 18.406 21.532 1.00 0.00 O ATOM 1669 CB ASP A 102 10.292 15.314 21.131 1.00 0.00 C ATOM 1670 CG ASP A 102 11.639 15.936 21.503 1.00 0.00 C ATOM 1671 OD1 ASP A 102 12.469 16.076 20.620 1.00 0.00 O ATOM 1672 OD2 ASP A 102 11.818 16.261 22.665 1.00 0.00 O ATOM 0 H ASP A 102 10.860 16.720 19.168 1.00 0.00 H new ATOM 0 HA ASP A 102 8.308 16.066 20.614 1.00 0.00 H new ATOM 0 HB2 ASP A 102 9.862 14.808 21.995 1.00 0.00 H new ATOM 0 HB3 ASP A 102 10.430 14.560 20.356 1.00 0.00 H new ATOM 1677 N GLU A 103 8.402 17.780 22.404 1.00 0.00 N ATOM 1678 CA GLU A 103 8.394 18.944 23.337 1.00 0.00 C ATOM 1679 C GLU A 103 8.364 20.255 22.548 1.00 0.00 C ATOM 1680 O GLU A 103 8.949 20.292 21.478 1.00 0.00 O ATOM 1681 CB GLU A 103 9.696 18.824 24.130 1.00 0.00 C ATOM 1682 CG GLU A 103 9.377 18.529 25.596 1.00 0.00 C ATOM 1683 CD GLU A 103 8.429 19.599 26.139 1.00 0.00 C ATOM 1684 OE1 GLU A 103 8.906 20.674 26.467 1.00 0.00 O ATOM 1685 OE2 GLU A 103 7.242 19.327 26.218 1.00 0.00 O ATOM 1686 OXT GLU A 103 7.757 21.199 23.027 1.00 0.00 O ATOM 0 H GLU A 103 7.599 17.156 22.481 1.00 0.00 H new ATOM 0 HA GLU A 103 7.519 18.946 23.987 1.00 0.00 H new ATOM 0 HB2 GLU A 103 10.315 18.029 23.715 1.00 0.00 H new ATOM 0 HB3 GLU A 103 10.269 19.748 24.051 1.00 0.00 H new ATOM 0 HG2 GLU A 103 8.921 17.543 25.688 1.00 0.00 H new ATOM 0 HG3 GLU A 103 10.296 18.511 26.182 1.00 0.00 H new TER 1693 GLU A 103