USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 622 hydrogens (4 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 NoAdj-H: A 65 SEP H2 : A 65 SEP N : A 64 GLN C :(H bumps) USER MOD NoAdj-H: A 65 SEP H : A 65 SEP N : A 64 GLN C :(H bumps) USER MOD Single : A 1 MET CE :methyl -134:sc= -0.116 (180deg=-1.57) USER MOD Single : A 1 MET N :NH3+ -153:sc= 2.53 (180deg=1.2) USER MOD Single : A 8 ASN : amide:sc= -2.6 K(o=-2.6,f=-4.1!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0.534 USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -120:sc= -0.0298 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN :FLIP amide:sc= 0 F(o=-0.81,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -164:sc= 0.803 (180deg=0.622) USER MOD Single : A 32 LYS NZ :NH3+ -163:sc= -0.569 (180deg=-1.27!) USER MOD Single : A 34 GLN : amide:sc= -0.0974 K(o=-0.097,f=-4.5!) USER MOD Single : A 40 GLN : amide:sc= -2.19! C(o=-2.2!,f=-4.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc=-0.00942 X(o=-0.0094,f=-0.0094) USER MOD Single : A 55 THR OG1 : rot 136:sc= 0.395 USER MOD Single : A 57 GLN : amide:sc= -2.19! C(o=-2.2!,f=-5!) USER MOD Single : A 58 ASN : amide:sc= -0.224 X(o=-0.22,f=0.027) USER MOD Single : A 59 CYS SG : rot 79:sc= -0.484! USER MOD Single : A 63 GLN :FLIP amide:sc= -0.0161 F(o=-1.1,f=-0.016) USER MOD Single : A 64 GLN : amide:sc= -1.02 X(o=-1,f=-1.5!) USER MOD Single : A 68 HIS :FLIP no HE2:sc= -2.61 F(o=-3.5!,f=-2.6) USER MOD Single : A 71 GLN : amide:sc= -0.447 K(o=-0.45,f=-3!) USER MOD Single : A 76 LYS NZ :NH3+ 158:sc= 1.2 (180deg=0.84) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.458 -0.478 0.394 1.00 0.00 N ATOM 2 CA MET A 1 1.743 -0.899 -0.183 1.00 0.00 C ATOM 3 C MET A 1 1.523 -1.994 -1.211 1.00 0.00 C ATOM 4 O MET A 1 1.007 -3.062 -0.896 1.00 0.00 O ATOM 5 CB MET A 1 2.683 -1.397 0.921 1.00 0.00 C ATOM 6 CG MET A 1 4.027 -1.909 0.417 1.00 0.00 C ATOM 7 SD MET A 1 5.115 -2.448 1.756 1.00 0.00 S ATOM 8 CE MET A 1 6.524 -3.043 0.825 1.00 0.00 C ATOM 0 H1 MET A 1 0.528 0.509 0.716 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.288 -0.555 -0.327 1.00 0.00 H new ATOM 0 H3 MET A 1 0.223 -1.089 1.202 1.00 0.00 H new ATOM 0 HA MET A 1 2.201 -0.041 -0.675 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.858 -0.585 1.626 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.186 -2.196 1.472 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.861 -2.741 -0.268 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.521 -1.121 -0.152 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.838 -4.009 1.219 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.248 -3.151 -0.224 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.345 -2.331 0.912 1.00 0.00 H new ATOM 20 N ILE A 2 1.913 -1.725 -2.436 1.00 0.00 N ATOM 21 CA ILE A 2 1.756 -2.682 -3.515 1.00 0.00 C ATOM 22 C ILE A 2 3.058 -3.401 -3.784 1.00 0.00 C ATOM 23 O ILE A 2 4.050 -2.783 -4.154 1.00 0.00 O ATOM 24 CB ILE A 2 1.283 -2.002 -4.823 1.00 0.00 C ATOM 25 CG1 ILE A 2 -0.094 -1.374 -4.627 1.00 0.00 C ATOM 26 CG2 ILE A 2 1.255 -3.009 -5.975 1.00 0.00 C ATOM 27 CD1 ILE A 2 -0.607 -0.634 -5.843 1.00 0.00 C ATOM 0 H ILE A 2 2.345 -0.844 -2.715 1.00 0.00 H new ATOM 0 HA ILE A 2 0.996 -3.395 -3.196 1.00 0.00 H new ATOM 0 HB ILE A 2 1.991 -1.213 -5.077 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -0.805 -2.156 -4.363 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.052 -0.684 -3.784 1.00 0.00 H new ATOM 0 HG21 ILE A 2 0.920 -2.511 -6.885 1.00 0.00 H new ATOM 0 HG22 ILE A 2 2.256 -3.413 -6.130 1.00 0.00 H new ATOM 0 HG23 ILE A 2 0.570 -3.821 -5.732 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.590 -0.216 -5.627 1.00 0.00 H new ATOM 0 HD12 ILE A 2 0.082 0.171 -6.096 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.683 -1.324 -6.683 1.00 0.00 H new ATOM 39 N VAL A 3 3.057 -4.696 -3.590 1.00 0.00 N ATOM 40 CA VAL A 3 4.222 -5.500 -3.875 1.00 0.00 C ATOM 41 C VAL A 3 3.953 -6.371 -5.085 1.00 0.00 C ATOM 42 O VAL A 3 2.795 -6.658 -5.406 1.00 0.00 O ATOM 43 CB VAL A 3 4.643 -6.381 -2.669 1.00 0.00 C ATOM 44 CG1 VAL A 3 5.029 -5.514 -1.482 1.00 0.00 C ATOM 45 CG2 VAL A 3 3.537 -7.349 -2.282 1.00 0.00 C ATOM 0 H VAL A 3 2.258 -5.220 -3.234 1.00 0.00 H new ATOM 0 HA VAL A 3 5.049 -4.820 -4.079 1.00 0.00 H new ATOM 0 HB VAL A 3 5.512 -6.966 -2.970 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.321 -6.150 -0.646 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.865 -4.871 -1.758 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.178 -4.898 -1.189 1.00 0.00 H new ATOM 0 HG21 VAL A 3 3.862 -7.952 -1.434 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.643 -6.789 -2.008 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.312 -8.001 -3.126 1.00 0.00 H new ATOM 55 N PHE A 4 4.997 -6.769 -5.766 1.00 0.00 N ATOM 56 CA PHE A 4 4.848 -7.598 -6.938 1.00 0.00 C ATOM 57 C PHE A 4 4.934 -9.059 -6.556 1.00 0.00 C ATOM 58 O PHE A 4 5.859 -9.470 -5.853 1.00 0.00 O ATOM 59 CB PHE A 4 5.904 -7.252 -7.982 1.00 0.00 C ATOM 60 CG PHE A 4 5.832 -5.833 -8.453 1.00 0.00 C ATOM 61 CD1 PHE A 4 6.807 -4.918 -8.095 1.00 0.00 C ATOM 62 CD2 PHE A 4 4.782 -5.409 -9.249 1.00 0.00 C ATOM 63 CE1 PHE A 4 6.739 -3.610 -8.525 1.00 0.00 C ATOM 64 CE2 PHE A 4 4.707 -4.104 -9.684 1.00 0.00 C ATOM 65 CZ PHE A 4 5.688 -3.201 -9.321 1.00 0.00 C ATOM 0 H PHE A 4 5.961 -6.533 -5.530 1.00 0.00 H new ATOM 0 HA PHE A 4 3.867 -7.409 -7.375 1.00 0.00 H new ATOM 0 HB2 PHE A 4 6.893 -7.438 -7.563 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.790 -7.917 -8.838 1.00 0.00 H new ATOM 0 HD1 PHE A 4 7.631 -5.233 -7.471 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.011 -6.110 -9.533 1.00 0.00 H new ATOM 0 HE1 PHE A 4 7.507 -2.906 -8.240 1.00 0.00 H new ATOM 0 HE2 PHE A 4 3.884 -3.788 -10.307 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.633 -2.177 -9.660 1.00 0.00 H new ATOM 75 N VAL A 5 3.974 -9.839 -7.007 1.00 0.00 N ATOM 76 CA VAL A 5 3.925 -11.252 -6.683 1.00 0.00 C ATOM 77 C VAL A 5 3.598 -12.090 -7.913 1.00 0.00 C ATOM 78 O VAL A 5 2.654 -11.799 -8.635 1.00 0.00 O ATOM 79 CB VAL A 5 2.864 -11.527 -5.583 1.00 0.00 C ATOM 80 CG1 VAL A 5 2.638 -13.014 -5.394 1.00 0.00 C ATOM 81 CG2 VAL A 5 3.275 -10.889 -4.271 1.00 0.00 C ATOM 0 H VAL A 5 3.212 -9.517 -7.603 1.00 0.00 H new ATOM 0 HA VAL A 5 4.912 -11.534 -6.315 1.00 0.00 H new ATOM 0 HB VAL A 5 1.925 -11.081 -5.912 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.890 -13.172 -4.617 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.288 -13.451 -6.329 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.573 -13.490 -5.099 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.518 -11.094 -3.514 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.231 -11.302 -3.949 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.372 -9.812 -4.405 1.00 0.00 H new ATOM 91 N ARG A 6 4.392 -13.116 -8.151 1.00 0.00 N ATOM 92 CA ARG A 6 4.141 -14.032 -9.243 1.00 0.00 C ATOM 93 C ARG A 6 3.821 -15.414 -8.691 1.00 0.00 C ATOM 94 O ARG A 6 4.631 -16.023 -7.982 1.00 0.00 O ATOM 95 CB ARG A 6 5.325 -14.090 -10.224 1.00 0.00 C ATOM 96 CG ARG A 6 6.662 -14.410 -9.589 1.00 0.00 C ATOM 97 CD ARG A 6 7.703 -14.755 -10.645 1.00 0.00 C ATOM 98 NE ARG A 6 7.897 -13.676 -11.619 1.00 0.00 N ATOM 99 CZ ARG A 6 8.804 -13.703 -12.605 1.00 0.00 C ATOM 100 NH1 ARG A 6 9.596 -14.762 -12.763 1.00 0.00 N1+ ATOM 101 NH2 ARG A 6 8.911 -12.678 -13.432 1.00 0.00 N ATOM 0 H ARG A 6 5.221 -13.336 -7.598 1.00 0.00 H new ATOM 0 HA ARG A 6 3.282 -13.665 -9.805 1.00 0.00 H new ATOM 0 HB2 ARG A 6 5.111 -14.841 -10.985 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.402 -13.130 -10.735 1.00 0.00 H new ATOM 0 HG2 ARG A 6 7.003 -13.557 -9.003 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.549 -15.246 -8.899 1.00 0.00 H new ATOM 0 HD2 ARG A 6 8.652 -14.973 -10.156 1.00 0.00 H new ATOM 0 HD3 ARG A 6 7.398 -15.661 -11.168 1.00 0.00 H new ATOM 0 HE ARG A 6 7.303 -12.851 -11.541 1.00 0.00 H new ATOM 0 HH11 ARG A 6 9.514 -15.559 -12.131 1.00 0.00 H new ATOM 0 HH12 ARG A 6 10.284 -14.776 -13.516 1.00 0.00 H new ATOM 0 HH21 ARG A 6 8.303 -11.867 -13.320 1.00 0.00 H new ATOM 0 HH22 ARG A 6 9.601 -12.698 -14.183 1.00 0.00 H new ATOM 115 N PHE A 7 2.639 -15.896 -8.996 1.00 0.00 N ATOM 116 CA PHE A 7 2.189 -17.176 -8.494 1.00 0.00 C ATOM 117 C PHE A 7 2.555 -18.288 -9.471 1.00 0.00 C ATOM 118 O PHE A 7 2.591 -18.063 -10.673 1.00 0.00 O ATOM 119 CB PHE A 7 0.671 -17.142 -8.268 1.00 0.00 C ATOM 120 CG PHE A 7 0.150 -18.291 -7.454 1.00 0.00 C ATOM 121 CD1 PHE A 7 0.070 -18.193 -6.079 1.00 0.00 C ATOM 122 CD2 PHE A 7 -0.251 -19.466 -8.063 1.00 0.00 C ATOM 123 CE1 PHE A 7 -0.397 -19.246 -5.327 1.00 0.00 C ATOM 124 CE2 PHE A 7 -0.720 -20.523 -7.315 1.00 0.00 C ATOM 125 CZ PHE A 7 -0.792 -20.414 -5.945 1.00 0.00 C ATOM 0 H PHE A 7 1.966 -15.417 -9.594 1.00 0.00 H new ATOM 0 HA PHE A 7 2.684 -17.377 -7.544 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.409 -16.209 -7.770 1.00 0.00 H new ATOM 0 HB3 PHE A 7 0.170 -17.139 -9.236 1.00 0.00 H new ATOM 0 HD1 PHE A 7 0.377 -17.281 -5.589 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -0.196 -19.556 -9.138 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -0.454 -19.158 -4.252 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -1.031 -21.435 -7.802 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.157 -21.242 -5.355 1.00 0.00 H new ATOM 135 N ASN A 8 2.867 -19.474 -8.925 1.00 0.00 N ATOM 136 CA ASN A 8 3.198 -20.698 -9.706 1.00 0.00 C ATOM 137 C ASN A 8 4.239 -20.444 -10.799 1.00 0.00 C ATOM 138 O ASN A 8 4.245 -21.121 -11.836 1.00 0.00 O ATOM 139 CB ASN A 8 1.925 -21.384 -10.290 1.00 0.00 C ATOM 140 CG ASN A 8 1.202 -20.585 -11.375 1.00 0.00 C ATOM 141 OD1 ASN A 8 0.309 -19.792 -11.087 1.00 0.00 O ATOM 142 ND2 ASN A 8 1.578 -20.796 -12.621 1.00 0.00 N ATOM 0 H ASN A 8 2.900 -19.622 -7.916 1.00 0.00 H new ATOM 0 HA ASN A 8 3.650 -21.389 -8.995 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.209 -22.353 -10.701 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.227 -21.576 -9.475 1.00 0.00 H new ATOM 0 HD21 ASN A 8 1.123 -20.293 -13.383 1.00 0.00 H new ATOM 0 HD22 ASN A 8 2.324 -21.462 -12.823 1.00 0.00 H new ATOM 149 N SER A 9 5.135 -19.487 -10.542 1.00 0.00 N ATOM 150 CA SER A 9 6.205 -19.129 -11.477 1.00 0.00 C ATOM 151 C SER A 9 5.641 -18.513 -12.768 1.00 0.00 C ATOM 152 O SER A 9 6.310 -18.488 -13.804 1.00 0.00 O ATOM 153 CB SER A 9 7.070 -20.360 -11.792 1.00 0.00 C ATOM 154 OG SER A 9 7.537 -20.972 -10.594 1.00 0.00 O ATOM 0 H SER A 9 5.139 -18.939 -9.681 1.00 0.00 H new ATOM 0 HA SER A 9 6.831 -18.374 -11.001 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.490 -21.079 -12.370 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.919 -20.065 -12.409 1.00 0.00 H new ATOM 0 HG SER A 9 8.084 -21.754 -10.818 1.00 0.00 H new ATOM 160 N SER A 10 4.417 -18.014 -12.691 1.00 0.00 N ATOM 161 CA SER A 10 3.764 -17.374 -13.818 1.00 0.00 C ATOM 162 C SER A 10 4.137 -15.880 -13.850 1.00 0.00 C ATOM 163 O SER A 10 5.218 -15.491 -13.385 1.00 0.00 O ATOM 164 CB SER A 10 2.235 -17.561 -13.696 1.00 0.00 C ATOM 165 OG SER A 10 1.545 -17.105 -14.855 1.00 0.00 O ATOM 0 H SER A 10 3.850 -18.042 -11.844 1.00 0.00 H new ATOM 0 HA SER A 10 4.096 -17.830 -14.751 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.011 -18.615 -13.533 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.873 -17.019 -12.822 1.00 0.00 H new ATOM 0 HG SER A 10 0.582 -17.243 -14.738 1.00 0.00 H new ATOM 171 N HIS A 11 3.262 -15.062 -14.402 1.00 0.00 N ATOM 172 CA HIS A 11 3.495 -13.629 -14.481 1.00 0.00 C ATOM 173 C HIS A 11 3.292 -12.973 -13.124 1.00 0.00 C ATOM 174 O HIS A 11 2.638 -13.536 -12.239 1.00 0.00 O ATOM 175 CB HIS A 11 2.571 -12.986 -15.516 1.00 0.00 C ATOM 176 CG HIS A 11 2.810 -13.458 -16.917 1.00 0.00 C ATOM 177 ND1 HIS A 11 1.802 -14.016 -17.665 1.00 0.00 N ATOM 178 CD2 HIS A 11 3.944 -13.423 -17.654 1.00 0.00 C ATOM 179 CE1 HIS A 11 2.343 -14.306 -18.836 1.00 0.00 C ATOM 180 NE2 HIS A 11 3.636 -13.963 -18.873 1.00 0.00 N ATOM 0 H HIS A 11 2.376 -15.366 -14.806 1.00 0.00 H new ATOM 0 HA HIS A 11 4.528 -13.475 -14.791 1.00 0.00 H new ATOM 0 HB2 HIS A 11 1.536 -13.194 -15.244 1.00 0.00 H new ATOM 0 HB3 HIS A 11 2.699 -11.904 -15.481 1.00 0.00 H new ATOM 0 HD2 HIS A 11 4.905 -13.043 -17.341 1.00 0.00 H new ATOM 0 HE1 HIS A 11 1.810 -14.761 -19.657 1.00 0.00 H new ATOM 0 HE2 HIS A 11 4.272 -14.082 -19.661 1.00 0.00 H new ATOM 188 N GLY A 12 3.854 -11.791 -12.963 1.00 0.00 N ATOM 189 CA GLY A 12 3.739 -11.083 -11.717 1.00 0.00 C ATOM 190 C GLY A 12 2.569 -10.130 -11.695 1.00 0.00 C ATOM 191 O GLY A 12 2.384 -9.338 -12.624 1.00 0.00 O ATOM 0 H GLY A 12 4.392 -11.307 -13.682 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.633 -11.801 -10.904 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.659 -10.527 -11.533 1.00 0.00 H new ATOM 195 N PHE A 13 1.781 -10.207 -10.647 1.00 0.00 N ATOM 196 CA PHE A 13 0.637 -9.337 -10.477 1.00 0.00 C ATOM 197 C PHE A 13 0.820 -8.456 -9.238 1.00 0.00 C ATOM 198 O PHE A 13 1.572 -8.816 -8.325 1.00 0.00 O ATOM 199 CB PHE A 13 -0.670 -10.159 -10.396 1.00 0.00 C ATOM 200 CG PHE A 13 -0.633 -11.313 -9.423 1.00 0.00 C ATOM 201 CD1 PHE A 13 -0.988 -11.137 -8.095 1.00 0.00 C ATOM 202 CD2 PHE A 13 -0.257 -12.578 -9.848 1.00 0.00 C ATOM 203 CE1 PHE A 13 -0.963 -12.198 -7.210 1.00 0.00 C ATOM 204 CE2 PHE A 13 -0.229 -13.640 -8.967 1.00 0.00 C ATOM 205 CZ PHE A 13 -0.584 -13.451 -7.647 1.00 0.00 C ATOM 0 H PHE A 13 1.914 -10.875 -9.887 1.00 0.00 H new ATOM 0 HA PHE A 13 0.561 -8.685 -11.347 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.485 -9.492 -10.116 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.901 -10.546 -11.388 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.288 -10.159 -7.748 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.017 -12.734 -10.881 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.240 -12.047 -6.177 1.00 0.00 H new ATOM 0 HE2 PHE A 13 0.071 -14.619 -9.311 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.565 -14.282 -6.957 1.00 0.00 H new ATOM 215 N PRO A 14 0.167 -7.282 -9.199 1.00 0.00 N ATOM 216 CA PRO A 14 0.278 -6.355 -8.079 1.00 0.00 C ATOM 217 C PRO A 14 -0.609 -6.752 -6.901 1.00 0.00 C ATOM 218 O PRO A 14 -1.819 -6.946 -7.054 1.00 0.00 O ATOM 219 CB PRO A 14 -0.194 -5.007 -8.668 1.00 0.00 C ATOM 220 CG PRO A 14 -0.502 -5.275 -10.113 1.00 0.00 C ATOM 221 CD PRO A 14 -0.719 -6.751 -10.233 1.00 0.00 C ATOM 0 HA PRO A 14 1.292 -6.331 -7.681 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -1.075 -4.638 -8.143 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.579 -4.245 -8.568 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -1.388 -4.725 -10.429 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.319 -4.950 -10.752 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.759 -7.025 -10.057 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -0.455 -7.121 -11.224 1.00 0.00 H new ATOM 229 N VAL A 15 -0.004 -6.883 -5.735 1.00 0.00 N ATOM 230 CA VAL A 15 -0.740 -7.211 -4.527 1.00 0.00 C ATOM 231 C VAL A 15 -0.708 -6.027 -3.564 1.00 0.00 C ATOM 232 O VAL A 15 0.362 -5.610 -3.105 1.00 0.00 O ATOM 233 CB VAL A 15 -0.174 -8.476 -3.833 1.00 0.00 C ATOM 234 CG1 VAL A 15 -0.959 -8.792 -2.569 1.00 0.00 C ATOM 235 CG2 VAL A 15 -0.207 -9.660 -4.783 1.00 0.00 C ATOM 0 H VAL A 15 1.000 -6.767 -5.598 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.770 -7.425 -4.812 1.00 0.00 H new ATOM 0 HB VAL A 15 0.861 -8.280 -3.555 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.546 -9.683 -2.097 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.891 -7.951 -1.879 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.004 -8.968 -2.824 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.194 -10.541 -4.281 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.235 -9.853 -5.088 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.397 -9.438 -5.663 1.00 0.00 H new ATOM 245 N GLU A 16 -1.878 -5.479 -3.281 1.00 0.00 N ATOM 246 CA GLU A 16 -2.000 -4.323 -2.407 1.00 0.00 C ATOM 247 C GLU A 16 -2.195 -4.774 -0.960 1.00 0.00 C ATOM 248 O GLU A 16 -3.211 -5.386 -0.617 1.00 0.00 O ATOM 249 CB GLU A 16 -3.184 -3.459 -2.864 1.00 0.00 C ATOM 250 CG GLU A 16 -3.009 -1.954 -2.651 1.00 0.00 C ATOM 251 CD GLU A 16 -2.945 -1.541 -1.201 1.00 0.00 C ATOM 252 OE1 GLU A 16 -3.943 -1.738 -0.479 1.00 0.00 O ATOM 253 OE2 GLU A 16 -1.913 -0.979 -0.788 1.00 0.00 O1- ATOM 0 H GLU A 16 -2.766 -5.820 -3.648 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.086 -3.732 -2.461 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.360 -3.642 -3.924 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.078 -3.784 -2.332 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.096 -1.631 -3.150 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.837 -1.431 -3.131 1.00 0.00 H new ATOM 260 N VAL A 17 -1.214 -4.485 -0.129 1.00 0.00 N ATOM 261 CA VAL A 17 -1.247 -4.839 1.283 1.00 0.00 C ATOM 262 C VAL A 17 -0.832 -3.652 2.138 1.00 0.00 C ATOM 263 O VAL A 17 -0.622 -2.554 1.628 1.00 0.00 O ATOM 264 CB VAL A 17 -0.318 -6.041 1.601 1.00 0.00 C ATOM 265 CG1 VAL A 17 -0.890 -7.326 1.033 1.00 0.00 C ATOM 266 CG2 VAL A 17 1.090 -5.796 1.062 1.00 0.00 C ATOM 0 H VAL A 17 -0.365 -3.995 -0.412 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.273 -5.125 1.515 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.255 -6.143 2.684 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.223 -8.156 1.267 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.870 -7.513 1.472 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.988 -7.234 -0.049 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.723 -6.652 1.297 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.048 -5.662 -0.019 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.505 -4.900 1.523 1.00 0.00 H new ATOM 276 N ASP A 18 -0.709 -3.873 3.424 1.00 0.00 N ATOM 277 CA ASP A 18 -0.301 -2.827 4.340 1.00 0.00 C ATOM 278 C ASP A 18 1.194 -2.889 4.549 1.00 0.00 C ATOM 279 O ASP A 18 1.839 -3.868 4.182 1.00 0.00 O ATOM 280 CB ASP A 18 -0.993 -2.988 5.704 1.00 0.00 C ATOM 281 CG ASP A 18 -2.496 -2.859 5.645 1.00 0.00 C ATOM 282 OD1 ASP A 18 -2.999 -1.718 5.655 1.00 0.00 O ATOM 283 OD2 ASP A 18 -3.186 -3.900 5.630 1.00 0.00 O1- ATOM 0 H ASP A 18 -0.887 -4.775 3.866 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.586 -1.869 3.906 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -0.738 -3.964 6.117 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.600 -2.238 6.391 1.00 0.00 H new ATOM 288 N SER A 19 1.743 -1.862 5.162 1.00 0.00 N ATOM 289 CA SER A 19 3.157 -1.842 5.484 1.00 0.00 C ATOM 290 C SER A 19 3.397 -2.594 6.795 1.00 0.00 C ATOM 291 O SER A 19 4.498 -2.587 7.349 1.00 0.00 O ATOM 292 CB SER A 19 3.652 -0.401 5.587 1.00 0.00 C ATOM 293 OG SER A 19 3.495 0.282 4.349 1.00 0.00 O ATOM 0 H SER A 19 1.232 -1.027 5.449 1.00 0.00 H new ATOM 0 HA SER A 19 3.716 -2.338 4.690 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.100 0.122 6.368 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.702 -0.393 5.880 1.00 0.00 H new ATOM 0 HG SER A 19 3.817 1.203 4.440 1.00 0.00 H new ATOM 299 N ASP A 20 2.343 -3.236 7.281 1.00 0.00 N ATOM 300 CA ASP A 20 2.400 -4.015 8.505 1.00 0.00 C ATOM 301 C ASP A 20 1.947 -5.435 8.236 1.00 0.00 C ATOM 302 O ASP A 20 1.837 -6.245 9.150 1.00 0.00 O ATOM 303 CB ASP A 20 1.510 -3.390 9.585 1.00 0.00 C ATOM 304 CG ASP A 20 1.910 -1.978 9.927 1.00 0.00 C ATOM 305 OD1 ASP A 20 2.773 -1.797 10.811 1.00 0.00 O ATOM 306 OD2 ASP A 20 1.365 -1.034 9.309 1.00 0.00 O1- ATOM 0 H ASP A 20 1.425 -3.230 6.836 1.00 0.00 H new ATOM 0 HA ASP A 20 3.431 -4.023 8.859 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.475 -3.397 9.245 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.554 -4.003 10.485 1.00 0.00 H new ATOM 311 N THR A 21 1.678 -5.729 6.976 1.00 0.00 N ATOM 312 CA THR A 21 1.228 -7.043 6.574 1.00 0.00 C ATOM 313 C THR A 21 2.335 -8.072 6.757 1.00 0.00 C ATOM 314 O THR A 21 3.381 -7.986 6.119 1.00 0.00 O ATOM 315 CB THR A 21 0.769 -7.035 5.099 1.00 0.00 C ATOM 316 OG1 THR A 21 -0.295 -6.100 4.936 1.00 0.00 O ATOM 317 CG2 THR A 21 0.295 -8.413 4.653 1.00 0.00 C ATOM 0 H THR A 21 1.766 -5.064 6.208 1.00 0.00 H new ATOM 0 HA THR A 21 0.384 -7.314 7.208 1.00 0.00 H new ATOM 0 HB THR A 21 1.623 -6.750 4.484 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.093 -6.566 4.610 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.020 -8.370 3.610 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.110 -9.129 4.756 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.545 -8.727 5.273 1.00 0.00 H new ATOM 325 N SER A 22 2.118 -9.013 7.655 1.00 0.00 N ATOM 326 CA SER A 22 3.066 -10.074 7.869 1.00 0.00 C ATOM 327 C SER A 22 3.077 -11.002 6.654 1.00 0.00 C ATOM 328 O SER A 22 2.052 -11.164 5.985 1.00 0.00 O ATOM 329 CB SER A 22 2.707 -10.846 9.139 1.00 0.00 C ATOM 330 OG SER A 22 2.545 -9.955 10.234 1.00 0.00 O ATOM 0 H SER A 22 1.289 -9.059 8.247 1.00 0.00 H new ATOM 0 HA SER A 22 4.063 -9.653 7.996 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.787 -11.409 8.982 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.489 -11.570 9.365 1.00 0.00 H new ATOM 0 HG SER A 22 2.314 -10.464 11.039 1.00 0.00 H new ATOM 336 N ILE A 23 4.228 -11.592 6.371 1.00 0.00 N ATOM 337 CA ILE A 23 4.387 -12.472 5.209 1.00 0.00 C ATOM 338 C ILE A 23 3.349 -13.608 5.199 1.00 0.00 C ATOM 339 O ILE A 23 2.848 -13.988 4.141 1.00 0.00 O ATOM 340 CB ILE A 23 5.823 -13.054 5.136 1.00 0.00 C ATOM 341 CG1 ILE A 23 6.853 -11.916 5.053 1.00 0.00 C ATOM 342 CG2 ILE A 23 5.976 -14.001 3.946 1.00 0.00 C ATOM 343 CD1 ILE A 23 6.665 -10.997 3.861 1.00 0.00 C ATOM 0 H ILE A 23 5.074 -11.480 6.930 1.00 0.00 H new ATOM 0 HA ILE A 23 4.216 -11.858 4.325 1.00 0.00 H new ATOM 0 HB ILE A 23 6.003 -13.628 6.045 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.799 -11.324 5.967 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.853 -12.348 5.011 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.993 -14.393 3.921 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.271 -14.827 4.045 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.773 -13.460 3.022 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.431 -10.222 3.875 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.749 -11.574 2.940 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.679 -10.534 3.910 1.00 0.00 H new ATOM 355 N PHE A 24 3.016 -14.130 6.376 1.00 0.00 N ATOM 356 CA PHE A 24 2.016 -15.186 6.479 1.00 0.00 C ATOM 357 C PHE A 24 0.654 -14.666 6.040 1.00 0.00 C ATOM 358 O PHE A 24 -0.081 -15.349 5.329 1.00 0.00 O ATOM 359 CB PHE A 24 1.930 -15.723 7.907 1.00 0.00 C ATOM 360 CG PHE A 24 1.099 -16.967 8.021 1.00 0.00 C ATOM 361 CD1 PHE A 24 1.612 -18.191 7.627 1.00 0.00 C ATOM 362 CD2 PHE A 24 -0.192 -16.914 8.514 1.00 0.00 C ATOM 363 CE1 PHE A 24 0.852 -19.339 7.722 1.00 0.00 C ATOM 364 CE2 PHE A 24 -0.956 -18.058 8.613 1.00 0.00 C ATOM 365 CZ PHE A 24 -0.433 -19.272 8.217 1.00 0.00 C ATOM 0 H PHE A 24 3.421 -13.841 7.266 1.00 0.00 H new ATOM 0 HA PHE A 24 2.318 -16.001 5.822 1.00 0.00 H new ATOM 0 HB2 PHE A 24 2.936 -15.931 8.271 1.00 0.00 H new ATOM 0 HB3 PHE A 24 1.510 -14.953 8.553 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.619 -18.248 7.241 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.606 -15.966 8.825 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.263 -20.288 7.409 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -1.963 -18.004 9.000 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.030 -20.169 8.295 1.00 0.00 H new ATOM 375 N GLN A 25 0.335 -13.448 6.463 1.00 0.00 N ATOM 376 CA GLN A 25 -0.920 -12.815 6.089 1.00 0.00 C ATOM 377 C GLN A 25 -0.933 -12.569 4.594 1.00 0.00 C ATOM 378 O GLN A 25 -1.931 -12.797 3.932 1.00 0.00 O ATOM 379 CB GLN A 25 -1.110 -11.497 6.840 1.00 0.00 C ATOM 380 CG GLN A 25 -1.185 -11.650 8.352 1.00 0.00 C ATOM 381 CD GLN A 25 -1.296 -10.320 9.077 1.00 0.00 C ATOM 382 OE1 GLN A 25 -1.935 -9.348 8.453 1.00 0.00 O flip ATOM 383 NE2 GLN A 25 -0.821 -10.175 10.198 1.00 0.00 N flip ATOM 0 H GLN A 25 0.930 -12.880 7.066 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.742 -13.479 6.357 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.285 -10.828 6.593 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.024 -11.019 6.488 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.045 -12.270 8.607 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.297 -12.176 8.703 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.334 -10.949 10.649 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.913 -9.280 10.679 1.00 0.00 H new ATOM 392 N LEU A 26 0.202 -12.115 4.075 1.00 0.00 N ATOM 393 CA LEU A 26 0.367 -11.878 2.647 1.00 0.00 C ATOM 394 C LEU A 26 0.127 -13.167 1.867 1.00 0.00 C ATOM 395 O LEU A 26 -0.586 -13.172 0.860 1.00 0.00 O ATOM 396 CB LEU A 26 1.774 -11.336 2.368 1.00 0.00 C ATOM 397 CG LEU A 26 2.162 -11.175 0.895 1.00 0.00 C ATOM 398 CD1 LEU A 26 1.262 -10.168 0.201 1.00 0.00 C ATOM 399 CD2 LEU A 26 3.616 -10.753 0.782 1.00 0.00 C ATOM 0 H LEU A 26 1.031 -11.902 4.630 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.365 -11.138 2.322 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.869 -10.365 2.854 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.496 -12.001 2.841 1.00 0.00 H new ATOM 0 HG LEU A 26 2.033 -12.137 0.400 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.560 -10.073 -0.843 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.228 -10.507 0.254 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.352 -9.200 0.693 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.882 -10.641 -0.269 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.760 -9.802 1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.252 -11.512 1.238 1.00 0.00 H new ATOM 411 N LYS A 27 0.714 -14.257 2.350 1.00 0.00 N ATOM 412 CA LYS A 27 0.539 -15.559 1.729 1.00 0.00 C ATOM 413 C LYS A 27 -0.929 -15.969 1.779 1.00 0.00 C ATOM 414 O LYS A 27 -1.465 -16.509 0.818 1.00 0.00 O ATOM 415 CB LYS A 27 1.420 -16.615 2.422 1.00 0.00 C ATOM 416 CG LYS A 27 1.408 -17.967 1.724 1.00 0.00 C ATOM 417 CD LYS A 27 2.414 -18.945 2.322 1.00 0.00 C ATOM 418 CE LYS A 27 1.977 -19.464 3.684 1.00 0.00 C ATOM 419 NZ LYS A 27 2.863 -20.562 4.158 1.00 0.00 N1+ ATOM 0 H LYS A 27 1.317 -14.261 3.173 1.00 0.00 H new ATOM 0 HA LYS A 27 0.849 -15.492 0.686 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.445 -16.248 2.468 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.080 -16.742 3.450 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.408 -18.396 1.788 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.628 -17.827 0.666 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.548 -19.786 1.641 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.382 -18.454 2.417 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.988 -18.648 4.407 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.950 -19.823 3.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.398 -21.072 4.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.049 -21.221 3.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.762 -20.162 4.494 1.00 0.00 H new ATOM 433 N GLU A 28 -1.572 -15.687 2.905 1.00 0.00 N ATOM 434 CA GLU A 28 -2.984 -15.993 3.093 1.00 0.00 C ATOM 435 C GLU A 28 -3.854 -15.155 2.146 1.00 0.00 C ATOM 436 O GLU A 28 -4.885 -15.627 1.653 1.00 0.00 O ATOM 437 CB GLU A 28 -3.381 -15.738 4.546 1.00 0.00 C ATOM 438 CG GLU A 28 -3.842 -16.978 5.293 1.00 0.00 C ATOM 439 CD GLU A 28 -5.209 -17.443 4.849 1.00 0.00 C ATOM 440 OE1 GLU A 28 -6.207 -16.773 5.190 1.00 0.00 O ATOM 441 OE2 GLU A 28 -5.304 -18.473 4.167 1.00 0.00 O1- ATOM 0 H GLU A 28 -1.132 -15.242 3.710 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.146 -17.045 2.859 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.530 -15.306 5.073 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.180 -14.997 4.568 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.121 -17.781 5.139 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.862 -16.768 6.362 1.00 0.00 H new ATOM 448 N VAL A 29 -3.435 -13.912 1.900 1.00 0.00 N ATOM 449 CA VAL A 29 -4.149 -13.027 0.985 1.00 0.00 C ATOM 450 C VAL A 29 -4.095 -13.579 -0.431 1.00 0.00 C ATOM 451 O VAL A 29 -5.119 -13.706 -1.094 1.00 0.00 O ATOM 452 CB VAL A 29 -3.574 -11.580 0.996 1.00 0.00 C ATOM 453 CG1 VAL A 29 -4.251 -10.718 -0.066 1.00 0.00 C ATOM 454 CG2 VAL A 29 -3.745 -10.945 2.367 1.00 0.00 C ATOM 0 H VAL A 29 -2.604 -13.498 2.323 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.182 -12.981 1.328 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.510 -11.641 0.767 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.833 -9.712 -0.039 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.083 -11.155 -1.050 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.322 -10.671 0.132 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.337 -9.934 2.353 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.805 -10.905 2.620 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.216 -11.540 3.112 1.00 0.00 H new ATOM 464 N VAL A 30 -2.898 -13.927 -0.882 1.00 0.00 N ATOM 465 CA VAL A 30 -2.721 -14.484 -2.216 1.00 0.00 C ATOM 466 C VAL A 30 -3.424 -15.838 -2.323 1.00 0.00 C ATOM 467 O VAL A 30 -4.012 -16.167 -3.359 1.00 0.00 O ATOM 468 CB VAL A 30 -1.223 -14.641 -2.576 1.00 0.00 C ATOM 469 CG1 VAL A 30 -1.058 -15.206 -3.982 1.00 0.00 C ATOM 470 CG2 VAL A 30 -0.504 -13.304 -2.452 1.00 0.00 C ATOM 0 H VAL A 30 -2.036 -13.834 -0.345 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.167 -13.786 -2.925 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.776 -15.344 -1.873 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.003 -15.307 -4.211 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.536 -16.184 -4.040 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.522 -14.532 -4.702 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.548 -13.431 -2.708 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.958 -12.582 -3.131 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.586 -12.940 -1.428 1.00 0.00 H new ATOM 480 N ALA A 31 -3.380 -16.601 -1.235 1.00 0.00 N ATOM 481 CA ALA A 31 -4.013 -17.907 -1.178 1.00 0.00 C ATOM 482 C ALA A 31 -5.500 -17.815 -1.473 1.00 0.00 C ATOM 483 O ALA A 31 -6.006 -18.503 -2.353 1.00 0.00 O ATOM 484 CB ALA A 31 -3.790 -18.547 0.179 1.00 0.00 C ATOM 0 H ALA A 31 -2.906 -16.330 -0.374 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.553 -18.531 -1.945 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.271 -19.525 0.204 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.721 -18.664 0.355 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.218 -17.912 0.955 1.00 0.00 H new ATOM 490 N LYS A 32 -6.195 -16.952 -0.748 1.00 0.00 N ATOM 491 CA LYS A 32 -7.633 -16.784 -0.944 1.00 0.00 C ATOM 492 C LYS A 32 -7.925 -16.072 -2.257 1.00 0.00 C ATOM 493 O LYS A 32 -8.958 -16.299 -2.877 1.00 0.00 O ATOM 494 CB LYS A 32 -8.258 -16.010 0.221 1.00 0.00 C ATOM 495 CG LYS A 32 -7.717 -14.597 0.394 1.00 0.00 C ATOM 496 CD LYS A 32 -8.331 -13.892 1.596 1.00 0.00 C ATOM 497 CE LYS A 32 -7.606 -14.228 2.907 1.00 0.00 C ATOM 498 NZ LYS A 32 -7.642 -15.677 3.236 1.00 0.00 N1+ ATOM 0 H LYS A 32 -5.793 -16.359 -0.022 1.00 0.00 H new ATOM 0 HA LYS A 32 -8.078 -17.778 -0.981 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.336 -15.958 0.071 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.091 -16.566 1.143 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.634 -14.636 0.511 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.920 -14.019 -0.507 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.303 -12.814 1.435 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.380 -14.174 1.682 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.568 -13.903 2.835 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.061 -13.665 3.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.404 -15.811 4.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.595 -16.051 3.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.952 -16.184 2.646 1.00 0.00 H new ATOM 512 N ARG A 33 -6.996 -15.221 -2.677 1.00 0.00 N ATOM 513 CA ARG A 33 -7.149 -14.447 -3.901 1.00 0.00 C ATOM 514 C ARG A 33 -7.192 -15.378 -5.114 1.00 0.00 C ATOM 515 O ARG A 33 -7.954 -15.159 -6.052 1.00 0.00 O ATOM 516 CB ARG A 33 -5.981 -13.450 -4.034 1.00 0.00 C ATOM 517 CG ARG A 33 -6.268 -12.211 -4.889 1.00 0.00 C ATOM 518 CD ARG A 33 -6.270 -12.518 -6.378 1.00 0.00 C ATOM 519 NE ARG A 33 -6.464 -11.309 -7.182 1.00 0.00 N ATOM 520 CZ ARG A 33 -5.828 -11.051 -8.329 1.00 0.00 C ATOM 521 NH1 ARG A 33 -4.967 -11.931 -8.833 1.00 0.00 N1+ ATOM 522 NH2 ARG A 33 -6.058 -9.918 -8.974 1.00 0.00 N ATOM 0 H ARG A 33 -6.121 -15.049 -2.182 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.087 -13.893 -3.857 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -5.690 -13.122 -3.036 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.125 -13.974 -4.460 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.235 -11.794 -4.606 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.518 -11.448 -4.680 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -5.327 -12.990 -6.653 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.062 -13.234 -6.601 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.131 -10.616 -6.843 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -4.789 -12.808 -8.344 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -4.485 -11.729 -9.709 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -6.721 -9.241 -8.596 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -5.572 -9.722 -9.849 1.00 0.00 H new ATOM 536 N GLN A 34 -6.373 -16.418 -5.083 1.00 0.00 N ATOM 537 CA GLN A 34 -6.301 -17.360 -6.188 1.00 0.00 C ATOM 538 C GLN A 34 -7.126 -18.621 -5.914 1.00 0.00 C ATOM 539 O GLN A 34 -7.488 -19.344 -6.838 1.00 0.00 O ATOM 540 CB GLN A 34 -4.842 -17.728 -6.473 1.00 0.00 C ATOM 541 CG GLN A 34 -3.958 -16.523 -6.784 1.00 0.00 C ATOM 542 CD GLN A 34 -4.373 -15.782 -8.050 1.00 0.00 C ATOM 543 OE1 GLN A 34 -4.206 -14.565 -8.151 1.00 0.00 O ATOM 544 NE2 GLN A 34 -4.895 -16.505 -9.028 1.00 0.00 N ATOM 0 H GLN A 34 -5.749 -16.631 -4.305 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.726 -16.875 -7.067 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.434 -18.255 -5.611 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.808 -18.420 -7.315 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.987 -15.833 -5.941 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.925 -16.856 -6.888 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -5.018 -17.510 -8.909 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -5.174 -16.057 -9.901 1.00 0.00 H new ATOM 553 N GLY A 35 -7.419 -18.877 -4.649 1.00 0.00 N ATOM 554 CA GLY A 35 -8.198 -20.052 -4.288 1.00 0.00 C ATOM 555 C GLY A 35 -7.322 -21.278 -4.106 1.00 0.00 C ATOM 556 O GLY A 35 -7.641 -22.367 -4.602 1.00 0.00 O ATOM 0 H GLY A 35 -7.133 -18.294 -3.862 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.744 -19.856 -3.365 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.940 -20.248 -5.062 1.00 0.00 H new ATOM 560 N VAL A 36 -6.223 -21.104 -3.393 1.00 0.00 N ATOM 561 CA VAL A 36 -5.267 -22.177 -3.168 1.00 0.00 C ATOM 562 C VAL A 36 -5.046 -22.395 -1.668 1.00 0.00 C ATOM 563 O VAL A 36 -5.303 -21.496 -0.865 1.00 0.00 O ATOM 564 CB VAL A 36 -3.911 -21.864 -3.854 1.00 0.00 C ATOM 565 CG1 VAL A 36 -4.101 -21.702 -5.354 1.00 0.00 C ATOM 566 CG2 VAL A 36 -3.282 -20.612 -3.257 1.00 0.00 C ATOM 0 H VAL A 36 -5.968 -20.219 -2.955 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.679 -23.087 -3.605 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.236 -22.702 -3.679 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.141 -21.483 -5.821 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -4.505 -22.624 -5.771 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.794 -20.883 -5.547 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.332 -20.410 -3.752 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.953 -19.765 -3.400 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.111 -20.764 -2.191 1.00 0.00 H new ATOM 576 N PRO A 37 -4.583 -23.596 -1.267 1.00 0.00 N ATOM 577 CA PRO A 37 -4.334 -23.912 0.145 1.00 0.00 C ATOM 578 C PRO A 37 -3.136 -23.139 0.705 1.00 0.00 C ATOM 579 O PRO A 37 -1.997 -23.362 0.302 1.00 0.00 O ATOM 580 CB PRO A 37 -4.045 -25.418 0.132 1.00 0.00 C ATOM 581 CG PRO A 37 -3.563 -25.705 -1.250 1.00 0.00 C ATOM 582 CD PRO A 37 -4.276 -24.739 -2.154 1.00 0.00 C ATOM 0 HA PRO A 37 -5.176 -23.636 0.780 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.293 -25.682 0.875 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.940 -25.994 0.366 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.483 -25.578 -1.319 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.781 -26.735 -1.532 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.649 -24.438 -2.994 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.182 -25.176 -2.573 1.00 0.00 H new ATOM 590 N ALA A 38 -3.406 -22.236 1.647 1.00 0.00 N ATOM 591 CA ALA A 38 -2.365 -21.396 2.247 1.00 0.00 C ATOM 592 C ALA A 38 -1.370 -22.217 3.059 1.00 0.00 C ATOM 593 O ALA A 38 -0.206 -21.837 3.195 1.00 0.00 O ATOM 594 CB ALA A 38 -2.987 -20.312 3.110 1.00 0.00 C ATOM 0 H ALA A 38 -4.342 -22.065 2.014 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.815 -20.927 1.431 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.199 -19.698 3.547 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.636 -19.687 2.497 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.573 -20.772 3.906 1.00 0.00 H new ATOM 600 N ASP A 39 -1.829 -23.338 3.598 1.00 0.00 N ATOM 601 CA ASP A 39 -0.965 -24.218 4.385 1.00 0.00 C ATOM 602 C ASP A 39 0.064 -24.872 3.492 1.00 0.00 C ATOM 603 O ASP A 39 1.235 -24.981 3.845 1.00 0.00 O ATOM 604 CB ASP A 39 -1.781 -25.296 5.101 1.00 0.00 C ATOM 605 CG ASP A 39 -2.682 -24.736 6.174 1.00 0.00 C ATOM 606 OD1 ASP A 39 -2.221 -24.580 7.320 1.00 0.00 O ATOM 607 OD2 ASP A 39 -3.864 -24.450 5.879 1.00 0.00 O1- ATOM 0 H ASP A 39 -2.792 -23.662 3.507 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.462 -23.609 5.136 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.386 -25.832 4.370 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.102 -26.022 5.547 1.00 0.00 H new ATOM 612 N GLN A 40 -0.374 -25.278 2.320 1.00 0.00 N ATOM 613 CA GLN A 40 0.494 -25.939 1.365 1.00 0.00 C ATOM 614 C GLN A 40 1.065 -24.931 0.374 1.00 0.00 C ATOM 615 O GLN A 40 1.590 -25.299 -0.684 1.00 0.00 O ATOM 616 CB GLN A 40 -0.274 -27.043 0.642 1.00 0.00 C ATOM 617 CG GLN A 40 -0.784 -28.129 1.579 1.00 0.00 C ATOM 618 CD GLN A 40 -1.571 -29.210 0.871 1.00 0.00 C ATOM 619 OE1 GLN A 40 -2.230 -28.960 -0.134 1.00 0.00 O ATOM 620 NE2 GLN A 40 -1.502 -30.420 1.393 1.00 0.00 N ATOM 0 H GLN A 40 -1.336 -25.161 2.002 1.00 0.00 H new ATOM 0 HA GLN A 40 1.329 -26.392 1.899 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.119 -26.603 0.112 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.373 -27.495 -0.110 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.063 -28.583 2.092 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.413 -27.673 2.344 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.942 -30.583 2.230 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.009 -31.192 0.960 1.00 0.00 H new ATOM 629 N LEU A 41 0.971 -23.663 0.731 1.00 0.00 N ATOM 630 CA LEU A 41 1.479 -22.595 -0.095 1.00 0.00 C ATOM 631 C LEU A 41 2.840 -22.146 0.425 1.00 0.00 C ATOM 632 O LEU A 41 3.034 -22.003 1.637 1.00 0.00 O ATOM 633 CB LEU A 41 0.495 -21.423 -0.104 1.00 0.00 C ATOM 634 CG LEU A 41 0.740 -20.359 -1.163 1.00 0.00 C ATOM 635 CD1 LEU A 41 0.704 -20.981 -2.542 1.00 0.00 C ATOM 636 CD2 LEU A 41 -0.292 -19.252 -1.059 1.00 0.00 C ATOM 0 H LEU A 41 0.540 -23.350 1.601 1.00 0.00 H new ATOM 0 HA LEU A 41 1.594 -22.955 -1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.511 -21.819 -0.241 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.519 -20.946 0.876 1.00 0.00 H new ATOM 0 HG LEU A 41 1.726 -19.925 -0.996 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.880 -20.211 -3.293 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.478 -21.745 -2.617 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.272 -21.436 -2.711 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.099 -18.501 -1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.289 -19.669 -1.203 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.231 -18.789 -0.074 1.00 0.00 H new ATOM 648 N ARG A 42 3.769 -21.929 -0.479 1.00 0.00 N ATOM 649 CA ARG A 42 5.125 -21.571 -0.112 1.00 0.00 C ATOM 650 C ARG A 42 5.544 -20.252 -0.740 1.00 0.00 C ATOM 651 O ARG A 42 5.370 -20.043 -1.938 1.00 0.00 O ATOM 652 CB ARG A 42 6.079 -22.680 -0.561 1.00 0.00 C ATOM 653 CG ARG A 42 7.507 -22.516 -0.078 1.00 0.00 C ATOM 654 CD ARG A 42 7.547 -22.424 1.425 1.00 0.00 C ATOM 655 NE ARG A 42 8.860 -22.770 1.984 1.00 0.00 N ATOM 656 CZ ARG A 42 9.262 -24.030 2.240 1.00 0.00 C ATOM 657 NH1 ARG A 42 8.511 -25.063 1.876 1.00 0.00 N1+ ATOM 658 NH2 ARG A 42 10.424 -24.252 2.844 1.00 0.00 N ATOM 0 H ARG A 42 3.610 -21.995 -1.484 1.00 0.00 H new ATOM 0 HA ARG A 42 5.166 -21.454 0.971 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.696 -23.637 -0.206 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.080 -22.722 -1.650 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.110 -23.360 -0.413 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.944 -21.618 -0.515 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.284 -21.411 1.729 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.792 -23.089 1.845 1.00 0.00 H new ATOM 0 HE ARG A 42 9.507 -22.010 2.191 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.623 -24.905 1.399 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.822 -26.014 2.073 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.016 -23.467 3.116 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.725 -25.208 3.036 1.00 0.00 H new ATOM 672 N VAL A 43 6.096 -19.365 0.071 1.00 0.00 N ATOM 673 CA VAL A 43 6.594 -18.103 -0.436 1.00 0.00 C ATOM 674 C VAL A 43 8.114 -18.144 -0.581 1.00 0.00 C ATOM 675 O VAL A 43 8.844 -18.305 0.399 1.00 0.00 O ATOM 676 CB VAL A 43 6.167 -16.890 0.440 1.00 0.00 C ATOM 677 CG1 VAL A 43 4.670 -16.657 0.334 1.00 0.00 C ATOM 678 CG2 VAL A 43 6.563 -17.092 1.895 1.00 0.00 C ATOM 0 H VAL A 43 6.209 -19.496 1.076 1.00 0.00 H new ATOM 0 HA VAL A 43 6.142 -17.961 -1.418 1.00 0.00 H new ATOM 0 HB VAL A 43 6.690 -16.010 0.065 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.390 -15.805 0.953 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.406 -16.454 -0.704 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.138 -17.545 0.676 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.251 -16.227 2.480 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.078 -17.987 2.283 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.645 -17.206 1.965 1.00 0.00 H new ATOM 688 N ILE A 44 8.580 -18.027 -1.807 1.00 0.00 N ATOM 689 CA ILE A 44 9.998 -18.068 -2.089 1.00 0.00 C ATOM 690 C ILE A 44 10.457 -16.745 -2.676 1.00 0.00 C ATOM 691 O ILE A 44 9.790 -16.160 -3.529 1.00 0.00 O ATOM 692 CB ILE A 44 10.353 -19.222 -3.070 1.00 0.00 C ATOM 693 CG1 ILE A 44 9.919 -20.575 -2.489 1.00 0.00 C ATOM 694 CG2 ILE A 44 11.849 -19.232 -3.390 1.00 0.00 C ATOM 695 CD1 ILE A 44 10.563 -20.910 -1.156 1.00 0.00 C ATOM 0 H ILE A 44 7.991 -17.902 -2.630 1.00 0.00 H new ATOM 0 HA ILE A 44 10.514 -18.249 -1.146 1.00 0.00 H new ATOM 0 HB ILE A 44 9.810 -19.052 -4.000 1.00 0.00 H new ATOM 0 HG12 ILE A 44 8.836 -20.576 -2.368 1.00 0.00 H new ATOM 0 HG13 ILE A 44 10.160 -21.361 -3.205 1.00 0.00 H new ATOM 0 HG21 ILE A 44 12.069 -20.049 -4.078 1.00 0.00 H new ATOM 0 HG22 ILE A 44 12.129 -18.285 -3.851 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.417 -19.370 -2.470 1.00 0.00 H new ATOM 0 HD11 ILE A 44 10.205 -21.881 -0.813 1.00 0.00 H new ATOM 0 HD12 ILE A 44 11.646 -20.943 -1.273 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.301 -20.147 -0.423 1.00 0.00 H new ATOM 707 N PHE A 45 11.577 -16.270 -2.209 1.00 0.00 N ATOM 708 CA PHE A 45 12.132 -15.041 -2.696 1.00 0.00 C ATOM 709 C PHE A 45 13.577 -15.264 -3.095 1.00 0.00 C ATOM 710 O PHE A 45 14.443 -15.445 -2.232 1.00 0.00 O ATOM 711 CB PHE A 45 12.018 -13.955 -1.630 1.00 0.00 C ATOM 712 CG PHE A 45 12.322 -12.589 -2.140 1.00 0.00 C ATOM 713 CD1 PHE A 45 11.400 -11.912 -2.915 1.00 0.00 C ATOM 714 CD2 PHE A 45 13.523 -11.978 -1.847 1.00 0.00 C ATOM 715 CE1 PHE A 45 11.671 -10.652 -3.389 1.00 0.00 C ATOM 716 CE2 PHE A 45 13.799 -10.717 -2.319 1.00 0.00 C ATOM 717 CZ PHE A 45 12.871 -10.053 -3.091 1.00 0.00 C ATOM 0 H PHE A 45 12.129 -16.724 -1.481 1.00 0.00 H new ATOM 0 HA PHE A 45 11.576 -14.710 -3.573 1.00 0.00 H new ATOM 0 HB2 PHE A 45 11.008 -13.965 -1.219 1.00 0.00 H new ATOM 0 HB3 PHE A 45 12.698 -14.188 -0.811 1.00 0.00 H new ATOM 0 HD1 PHE A 45 10.455 -12.379 -3.151 1.00 0.00 H new ATOM 0 HD2 PHE A 45 14.253 -12.495 -1.242 1.00 0.00 H new ATOM 0 HE1 PHE A 45 10.943 -10.133 -3.995 1.00 0.00 H new ATOM 0 HE2 PHE A 45 14.743 -10.247 -2.085 1.00 0.00 H new ATOM 0 HZ PHE A 45 13.087 -9.062 -3.462 1.00 0.00 H new ATOM 727 N ALA A 46 13.819 -15.277 -4.413 1.00 0.00 N ATOM 728 CA ALA A 46 15.149 -15.529 -4.996 1.00 0.00 C ATOM 729 C ALA A 46 15.587 -16.978 -4.769 1.00 0.00 C ATOM 730 O ALA A 46 15.750 -17.747 -5.717 1.00 0.00 O ATOM 731 CB ALA A 46 16.191 -14.546 -4.458 1.00 0.00 C ATOM 0 H ALA A 46 13.094 -15.112 -5.111 1.00 0.00 H new ATOM 0 HA ALA A 46 15.071 -15.369 -6.071 1.00 0.00 H new ATOM 0 HB1 ALA A 46 17.160 -14.760 -4.909 1.00 0.00 H new ATOM 0 HB2 ALA A 46 15.893 -13.527 -4.706 1.00 0.00 H new ATOM 0 HB3 ALA A 46 16.264 -14.649 -3.375 1.00 0.00 H new ATOM 737 N GLY A 47 15.755 -17.339 -3.516 1.00 0.00 N ATOM 738 CA GLY A 47 16.151 -18.685 -3.165 1.00 0.00 C ATOM 739 C GLY A 47 15.885 -18.982 -1.705 1.00 0.00 C ATOM 740 O GLY A 47 16.178 -20.073 -1.216 1.00 0.00 O ATOM 0 H GLY A 47 15.623 -16.716 -2.720 1.00 0.00 H new ATOM 0 HA2 GLY A 47 15.609 -19.398 -3.786 1.00 0.00 H new ATOM 0 HA3 GLY A 47 17.212 -18.820 -3.377 1.00 0.00 H new ATOM 744 N LYS A 48 15.309 -18.016 -1.012 1.00 0.00 N ATOM 745 CA LYS A 48 15.017 -18.151 0.400 1.00 0.00 C ATOM 746 C LYS A 48 13.534 -17.991 0.648 1.00 0.00 C ATOM 747 O LYS A 48 12.764 -17.742 -0.278 1.00 0.00 O ATOM 748 CB LYS A 48 15.768 -17.092 1.198 1.00 0.00 C ATOM 749 CG LYS A 48 15.455 -15.671 0.755 1.00 0.00 C ATOM 750 CD LYS A 48 15.883 -14.666 1.791 1.00 0.00 C ATOM 751 CE LYS A 48 15.754 -13.244 1.268 1.00 0.00 C ATOM 752 NZ LYS A 48 16.306 -12.246 2.218 1.00 0.00 N1+ ATOM 0 H LYS A 48 15.032 -17.120 -1.412 1.00 0.00 H new ATOM 0 HA LYS A 48 15.335 -19.144 0.719 1.00 0.00 H new ATOM 0 HB2 LYS A 48 15.520 -17.199 2.254 1.00 0.00 H new ATOM 0 HB3 LYS A 48 16.840 -17.267 1.103 1.00 0.00 H new ATOM 0 HG2 LYS A 48 15.961 -15.462 -0.188 1.00 0.00 H new ATOM 0 HG3 LYS A 48 14.385 -15.573 0.571 1.00 0.00 H new ATOM 0 HD2 LYS A 48 15.274 -14.783 2.687 1.00 0.00 H new ATOM 0 HD3 LYS A 48 16.916 -14.857 2.081 1.00 0.00 H new ATOM 0 HE2 LYS A 48 16.274 -13.161 0.314 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.704 -13.022 1.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.197 -11.291 1.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 15.794 -12.306 3.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 17.315 -12.441 2.379 1.00 0.00 H new ATOM 766 N GLU A 49 13.143 -18.114 1.894 1.00 0.00 N ATOM 767 CA GLU A 49 11.769 -17.921 2.282 1.00 0.00 C ATOM 768 C GLU A 49 11.688 -16.819 3.323 1.00 0.00 C ATOM 769 O GLU A 49 12.465 -16.792 4.276 1.00 0.00 O ATOM 770 CB GLU A 49 11.155 -19.226 2.799 1.00 0.00 C ATOM 771 CG GLU A 49 11.911 -19.864 3.950 1.00 0.00 C ATOM 772 CD GLU A 49 11.369 -21.223 4.303 1.00 0.00 C ATOM 773 OE1 GLU A 49 10.478 -21.309 5.171 1.00 0.00 O ATOM 774 OE2 GLU A 49 11.826 -22.220 3.707 1.00 0.00 O1- ATOM 0 H GLU A 49 13.768 -18.350 2.665 1.00 0.00 H new ATOM 0 HA GLU A 49 11.190 -17.620 1.409 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.131 -19.030 3.118 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.102 -19.939 1.976 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.965 -19.953 3.686 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.855 -19.214 4.824 1.00 0.00 H new ATOM 781 N LEU A 50 10.792 -15.890 3.106 1.00 0.00 N ATOM 782 CA LEU A 50 10.621 -14.761 4.006 1.00 0.00 C ATOM 783 C LEU A 50 9.988 -15.204 5.316 1.00 0.00 C ATOM 784 O LEU A 50 9.114 -16.072 5.326 1.00 0.00 O ATOM 785 CB LEU A 50 9.742 -13.701 3.349 1.00 0.00 C ATOM 786 CG LEU A 50 10.109 -13.327 1.916 1.00 0.00 C ATOM 787 CD1 LEU A 50 9.099 -12.351 1.352 1.00 0.00 C ATOM 788 CD2 LEU A 50 11.513 -12.746 1.848 1.00 0.00 C ATOM 0 H LEU A 50 10.159 -15.888 2.306 1.00 0.00 H new ATOM 0 HA LEU A 50 11.605 -14.342 4.218 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.711 -14.054 3.359 1.00 0.00 H new ATOM 0 HB3 LEU A 50 9.776 -12.799 3.960 1.00 0.00 H new ATOM 0 HG LEU A 50 10.091 -14.233 1.311 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.374 -12.093 0.329 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.109 -12.808 1.358 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.085 -11.448 1.962 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.750 -12.488 0.816 1.00 0.00 H new ATOM 0 HD22 LEU A 50 11.567 -11.851 2.468 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.230 -13.483 2.212 1.00 0.00 H new ATOM 800 N ARG A 51 10.441 -14.611 6.413 1.00 0.00 N ATOM 801 CA ARG A 51 9.894 -14.903 7.739 1.00 0.00 C ATOM 802 C ARG A 51 8.386 -14.624 7.777 1.00 0.00 C ATOM 803 O ARG A 51 7.948 -13.475 7.674 1.00 0.00 O ATOM 804 CB ARG A 51 10.627 -14.093 8.818 1.00 0.00 C ATOM 805 CG ARG A 51 10.917 -12.655 8.421 1.00 0.00 C ATOM 806 CD ARG A 51 12.367 -12.467 8.008 1.00 0.00 C ATOM 807 NE ARG A 51 13.266 -12.539 9.156 1.00 0.00 N ATOM 808 CZ ARG A 51 14.560 -12.237 9.121 1.00 0.00 C ATOM 809 NH1 ARG A 51 15.138 -11.890 7.977 1.00 0.00 N1+ ATOM 810 NH2 ARG A 51 15.276 -12.283 10.234 1.00 0.00 N ATOM 0 H ARG A 51 11.191 -13.920 6.414 1.00 0.00 H new ATOM 0 HA ARG A 51 10.048 -15.962 7.947 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.028 -14.094 9.728 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.567 -14.590 9.055 1.00 0.00 H new ATOM 0 HG2 ARG A 51 10.264 -12.366 7.598 1.00 0.00 H new ATOM 0 HG3 ARG A 51 10.688 -11.994 9.257 1.00 0.00 H new ATOM 0 HD2 ARG A 51 12.641 -13.232 7.282 1.00 0.00 H new ATOM 0 HD3 ARG A 51 12.483 -11.502 7.514 1.00 0.00 H new ATOM 0 HE ARG A 51 12.874 -12.842 10.047 1.00 0.00 H new ATOM 0 HH11 ARG A 51 14.589 -11.854 7.118 1.00 0.00 H new ATOM 0 HH12 ARG A 51 16.131 -11.659 7.957 1.00 0.00 H new ATOM 0 HH21 ARG A 51 14.834 -12.549 11.114 1.00 0.00 H new ATOM 0 HH22 ARG A 51 16.269 -12.052 10.211 1.00 0.00 H new ATOM 824 N ASN A 52 7.609 -15.687 7.935 1.00 0.00 N ATOM 825 CA ASN A 52 6.144 -15.624 7.883 1.00 0.00 C ATOM 826 C ASN A 52 5.524 -14.642 8.890 1.00 0.00 C ATOM 827 O ASN A 52 4.510 -14.017 8.599 1.00 0.00 O ATOM 828 CB ASN A 52 5.534 -17.033 8.071 1.00 0.00 C ATOM 829 CG ASN A 52 5.746 -17.609 9.466 1.00 0.00 C ATOM 830 OD1 ASN A 52 6.771 -18.224 9.745 1.00 0.00 O ATOM 831 ND2 ASN A 52 4.768 -17.438 10.340 1.00 0.00 N ATOM 0 H ASN A 52 7.973 -16.625 8.104 1.00 0.00 H new ATOM 0 HA ASN A 52 5.899 -15.240 6.893 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.465 -16.987 7.865 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.972 -17.710 7.337 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.852 -17.823 11.281 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.930 -16.921 10.073 1.00 0.00 H new ATOM 838 N ASP A 53 6.131 -14.481 10.045 1.00 0.00 N ATOM 839 CA ASP A 53 5.516 -13.663 11.092 1.00 0.00 C ATOM 840 C ASP A 53 6.090 -12.238 11.142 1.00 0.00 C ATOM 841 O ASP A 53 5.906 -11.523 12.124 1.00 0.00 O ATOM 842 CB ASP A 53 5.671 -14.361 12.452 1.00 0.00 C ATOM 843 CG ASP A 53 4.737 -13.805 13.511 1.00 0.00 C ATOM 844 OD1 ASP A 53 3.506 -13.944 13.351 1.00 0.00 O ATOM 845 OD2 ASP A 53 5.228 -13.248 14.519 1.00 0.00 O1- ATOM 0 H ASP A 53 7.032 -14.892 10.290 1.00 0.00 H new ATOM 0 HA ASP A 53 4.458 -13.561 10.852 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.481 -15.428 12.331 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.701 -14.257 12.793 1.00 0.00 H new ATOM 850 N TRP A 54 6.756 -11.811 10.085 1.00 0.00 N ATOM 851 CA TRP A 54 7.344 -10.484 10.079 1.00 0.00 C ATOM 852 C TRP A 54 6.727 -9.609 8.976 1.00 0.00 C ATOM 853 O TRP A 54 6.045 -10.116 8.082 1.00 0.00 O ATOM 854 CB TRP A 54 8.848 -10.600 9.924 1.00 0.00 C ATOM 855 CG TRP A 54 9.606 -9.371 10.297 1.00 0.00 C ATOM 856 CD1 TRP A 54 9.456 -8.616 11.425 1.00 0.00 C ATOM 857 CD2 TRP A 54 10.655 -8.774 9.548 1.00 0.00 C ATOM 858 NE1 TRP A 54 10.346 -7.574 11.409 1.00 0.00 N ATOM 859 CE2 TRP A 54 11.096 -7.651 10.267 1.00 0.00 C ATOM 860 CE3 TRP A 54 11.259 -9.080 8.333 1.00 0.00 C ATOM 861 CZ2 TRP A 54 12.119 -6.836 9.810 1.00 0.00 C ATOM 862 CZ3 TRP A 54 12.275 -8.271 7.878 1.00 0.00 C ATOM 863 CH2 TRP A 54 12.698 -7.160 8.616 1.00 0.00 C ATOM 0 H TRP A 54 6.902 -12.353 9.233 1.00 0.00 H new ATOM 0 HA TRP A 54 7.128 -9.993 11.028 1.00 0.00 H new ATOM 0 HB2 TRP A 54 9.201 -11.429 10.538 1.00 0.00 H new ATOM 0 HB3 TRP A 54 9.075 -10.851 8.888 1.00 0.00 H new ATOM 0 HD1 TRP A 54 8.743 -8.811 12.212 1.00 0.00 H new ATOM 0 HE1 TRP A 54 10.435 -6.858 12.130 1.00 0.00 H new ATOM 0 HE3 TRP A 54 10.937 -9.936 7.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 12.446 -5.977 10.377 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 12.753 -8.497 6.937 1.00 0.00 H new ATOM 0 HH2 TRP A 54 13.499 -6.545 8.233 1.00 0.00 H new ATOM 874 N THR A 55 6.981 -8.300 9.051 1.00 0.00 N ATOM 875 CA THR A 55 6.401 -7.322 8.137 1.00 0.00 C ATOM 876 C THR A 55 6.941 -7.444 6.707 1.00 0.00 C ATOM 877 O THR A 55 8.121 -7.746 6.488 1.00 0.00 O ATOM 878 CB THR A 55 6.632 -5.874 8.649 1.00 0.00 C ATOM 879 OG1 THR A 55 6.080 -4.926 7.724 1.00 0.00 O ATOM 880 CG2 THR A 55 8.120 -5.586 8.844 1.00 0.00 C ATOM 0 H THR A 55 7.598 -7.890 9.752 1.00 0.00 H new ATOM 0 HA THR A 55 5.333 -7.539 8.109 1.00 0.00 H new ATOM 0 HB THR A 55 6.131 -5.779 9.612 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.597 -4.231 8.217 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.249 -4.565 9.203 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.533 -6.282 9.574 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.641 -5.705 7.894 1.00 0.00 H new ATOM 888 N VAL A 56 6.061 -7.196 5.744 1.00 0.00 N ATOM 889 CA VAL A 56 6.410 -7.221 4.333 1.00 0.00 C ATOM 890 C VAL A 56 7.121 -5.920 3.934 1.00 0.00 C ATOM 891 O VAL A 56 7.852 -5.873 2.936 1.00 0.00 O ATOM 892 CB VAL A 56 5.142 -7.421 3.449 1.00 0.00 C ATOM 893 CG1 VAL A 56 4.178 -6.250 3.584 1.00 0.00 C ATOM 894 CG2 VAL A 56 5.518 -7.637 1.998 1.00 0.00 C ATOM 0 H VAL A 56 5.082 -6.971 5.923 1.00 0.00 H new ATOM 0 HA VAL A 56 7.084 -8.062 4.169 1.00 0.00 H new ATOM 0 HB VAL A 56 4.634 -8.316 3.808 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.305 -6.423 2.954 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.863 -6.156 4.623 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.675 -5.332 3.271 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.614 -7.774 1.404 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.065 -6.769 1.631 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.146 -8.524 1.913 1.00 0.00 H new ATOM 904 N GLN A 57 6.924 -4.876 4.737 1.00 0.00 N ATOM 905 CA GLN A 57 7.512 -3.569 4.471 1.00 0.00 C ATOM 906 C GLN A 57 9.028 -3.654 4.404 1.00 0.00 C ATOM 907 O GLN A 57 9.650 -3.145 3.473 1.00 0.00 O ATOM 908 CB GLN A 57 7.106 -2.575 5.555 1.00 0.00 C ATOM 909 CG GLN A 57 7.708 -1.190 5.375 1.00 0.00 C ATOM 910 CD GLN A 57 7.446 -0.290 6.561 1.00 0.00 C ATOM 911 OE1 GLN A 57 6.448 0.419 6.608 1.00 0.00 O ATOM 912 NE2 GLN A 57 8.345 -0.308 7.525 1.00 0.00 N ATOM 0 H GLN A 57 6.356 -4.913 5.584 1.00 0.00 H new ATOM 0 HA GLN A 57 7.139 -3.227 3.506 1.00 0.00 H new ATOM 0 HB2 GLN A 57 6.019 -2.490 5.568 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.407 -2.968 6.526 1.00 0.00 H new ATOM 0 HG2 GLN A 57 8.783 -1.281 5.222 1.00 0.00 H new ATOM 0 HG3 GLN A 57 7.296 -0.731 4.476 1.00 0.00 H new ATOM 0 HE21 GLN A 57 9.163 -0.913 7.448 1.00 0.00 H new ATOM 0 HE22 GLN A 57 8.223 0.283 8.348 1.00 0.00 H new ATOM 921 N ASN A 58 9.614 -4.326 5.378 1.00 0.00 N ATOM 922 CA ASN A 58 11.064 -4.426 5.468 1.00 0.00 C ATOM 923 C ASN A 58 11.588 -5.579 4.602 1.00 0.00 C ATOM 924 O ASN A 58 12.762 -5.932 4.652 1.00 0.00 O ATOM 925 CB ASN A 58 11.496 -4.602 6.926 1.00 0.00 C ATOM 926 CG ASN A 58 12.912 -4.096 7.192 1.00 0.00 C ATOM 927 OD1 ASN A 58 13.764 -4.085 6.307 1.00 0.00 O ATOM 928 ND2 ASN A 58 13.169 -3.680 8.415 1.00 0.00 N ATOM 0 H ASN A 58 9.110 -4.812 6.120 1.00 0.00 H new ATOM 0 HA ASN A 58 11.496 -3.500 5.089 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.798 -4.070 7.573 1.00 0.00 H new ATOM 0 HB3 ASN A 58 11.437 -5.657 7.192 1.00 0.00 H new ATOM 0 HD21 ASN A 58 14.099 -3.335 8.651 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.438 -3.703 9.126 1.00 0.00 H new ATOM 935 N CYS A 59 10.710 -6.165 3.814 1.00 0.00 N ATOM 936 CA CYS A 59 11.114 -7.210 2.895 1.00 0.00 C ATOM 937 C CYS A 59 11.429 -6.598 1.530 1.00 0.00 C ATOM 938 O CYS A 59 12.064 -7.228 0.685 1.00 0.00 O ATOM 939 CB CYS A 59 10.030 -8.280 2.782 1.00 0.00 C ATOM 940 SG CYS A 59 9.724 -9.186 4.319 1.00 0.00 S ATOM 0 H CYS A 59 9.716 -5.937 3.791 1.00 0.00 H new ATOM 0 HA CYS A 59 12.013 -7.694 3.277 1.00 0.00 H new ATOM 0 HB2 CYS A 59 9.102 -7.809 2.459 1.00 0.00 H new ATOM 0 HB3 CYS A 59 10.314 -8.989 2.005 1.00 0.00 H new ATOM 0 HG CYS A 59 8.983 -8.465 5.108 1.00 0.00 H new ATOM 946 N ASP A 60 10.973 -5.347 1.340 1.00 0.00 N ATOM 947 CA ASP A 60 11.229 -4.577 0.111 1.00 0.00 C ATOM 948 C ASP A 60 10.818 -5.333 -1.151 1.00 0.00 C ATOM 949 O ASP A 60 11.465 -5.215 -2.199 1.00 0.00 O ATOM 950 CB ASP A 60 12.703 -4.158 0.033 1.00 0.00 C ATOM 951 CG ASP A 60 13.012 -2.949 0.894 1.00 0.00 C ATOM 952 OD1 ASP A 60 13.166 -1.852 0.341 1.00 0.00 O ATOM 953 OD2 ASP A 60 13.093 -3.092 2.136 1.00 0.00 O1- ATOM 0 H ASP A 60 10.418 -4.843 2.032 1.00 0.00 H new ATOM 0 HA ASP A 60 10.607 -3.683 0.162 1.00 0.00 H new ATOM 0 HB2 ASP A 60 13.331 -4.992 0.346 1.00 0.00 H new ATOM 0 HB3 ASP A 60 12.960 -3.937 -1.003 1.00 0.00 H new ATOM 958 N LEU A 61 9.704 -6.053 -1.063 1.00 0.00 N ATOM 959 CA LEU A 61 9.182 -6.849 -2.187 1.00 0.00 C ATOM 960 C LEU A 61 8.603 -5.943 -3.285 1.00 0.00 C ATOM 961 O LEU A 61 8.048 -6.412 -4.277 1.00 0.00 O ATOM 962 CB LEU A 61 8.105 -7.814 -1.679 1.00 0.00 C ATOM 963 CG LEU A 61 8.511 -8.689 -0.487 1.00 0.00 C ATOM 964 CD1 LEU A 61 7.380 -9.613 -0.084 1.00 0.00 C ATOM 965 CD2 LEU A 61 9.766 -9.485 -0.803 1.00 0.00 C ATOM 0 H LEU A 61 9.135 -6.106 -0.218 1.00 0.00 H new ATOM 0 HA LEU A 61 10.006 -7.417 -2.619 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.226 -7.234 -1.399 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.809 -8.465 -2.501 1.00 0.00 H new ATOM 0 HG LEU A 61 8.728 -8.030 0.354 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.693 -10.223 0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.509 -9.021 0.197 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.123 -10.261 -0.922 1.00 0.00 H new ATOM 0 HD21 LEU A 61 10.034 -10.098 0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.582 -10.128 -1.663 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.583 -8.801 -1.030 1.00 0.00 H new ATOM 977 N ASP A 62 8.720 -4.651 -3.073 1.00 0.00 N ATOM 978 CA ASP A 62 8.269 -3.647 -4.027 1.00 0.00 C ATOM 979 C ASP A 62 9.466 -2.936 -4.662 1.00 0.00 C ATOM 980 O ASP A 62 9.357 -2.341 -5.735 1.00 0.00 O ATOM 981 CB ASP A 62 7.364 -2.628 -3.308 1.00 0.00 C ATOM 982 CG ASP A 62 7.207 -1.318 -4.067 1.00 0.00 C ATOM 983 OD1 ASP A 62 6.516 -1.297 -5.098 1.00 0.00 O ATOM 984 OD2 ASP A 62 7.777 -0.296 -3.620 1.00 0.00 O1- ATOM 0 H ASP A 62 9.134 -4.258 -2.228 1.00 0.00 H new ATOM 0 HA ASP A 62 7.703 -4.137 -4.819 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.380 -3.071 -3.156 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.776 -2.420 -2.321 1.00 0.00 H new ATOM 989 N GLN A 63 10.620 -3.039 -4.020 1.00 0.00 N ATOM 990 CA GLN A 63 11.794 -2.310 -4.465 1.00 0.00 C ATOM 991 C GLN A 63 12.847 -3.205 -5.119 1.00 0.00 C ATOM 992 O GLN A 63 13.299 -2.921 -6.225 1.00 0.00 O ATOM 993 CB GLN A 63 12.407 -1.542 -3.296 1.00 0.00 C ATOM 994 CG GLN A 63 13.636 -0.726 -3.665 1.00 0.00 C ATOM 995 CD GLN A 63 14.161 0.093 -2.504 1.00 0.00 C ATOM 996 OE1 GLN A 63 13.266 0.557 -1.649 1.00 0.00 O flip ATOM 997 NE2 GLN A 63 15.362 0.322 -2.388 1.00 0.00 N flip ATOM 0 H GLN A 63 10.767 -3.618 -3.193 1.00 0.00 H new ATOM 0 HA GLN A 63 11.458 -1.613 -5.233 1.00 0.00 H new ATOM 0 HB2 GLN A 63 11.653 -0.875 -2.878 1.00 0.00 H new ATOM 0 HB3 GLN A 63 12.676 -2.249 -2.512 1.00 0.00 H new ATOM 0 HG2 GLN A 63 14.421 -1.396 -4.016 1.00 0.00 H new ATOM 0 HG3 GLN A 63 13.391 -0.061 -4.493 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.021 -0.055 -3.069 1.00 0.00 H new ATOM 0 HE22 GLN A 63 15.700 0.889 -1.610 1.00 0.00 H new ATOM 1006 N GLN A 64 13.238 -4.278 -4.449 1.00 0.00 N ATOM 1007 CA GLN A 64 14.306 -5.118 -4.977 1.00 0.00 C ATOM 1008 C GLN A 64 13.823 -6.125 -6.033 1.00 0.00 C ATOM 1009 O GLN A 64 14.139 -5.979 -7.211 1.00 0.00 O ATOM 1010 CB GLN A 64 15.109 -5.798 -3.849 1.00 0.00 C ATOM 1011 CG GLN A 64 14.274 -6.529 -2.815 1.00 0.00 C ATOM 1012 CD GLN A 64 15.122 -7.159 -1.729 1.00 0.00 C ATOM 1013 OE1 GLN A 64 15.559 -8.305 -1.849 1.00 0.00 O ATOM 1014 NE2 GLN A 64 15.355 -6.422 -0.666 1.00 0.00 N ATOM 0 H GLN A 64 12.844 -4.584 -3.559 1.00 0.00 H new ATOM 0 HA GLN A 64 14.986 -4.447 -5.502 1.00 0.00 H new ATOM 0 HB2 GLN A 64 15.806 -6.506 -4.297 1.00 0.00 H new ATOM 0 HB3 GLN A 64 15.706 -5.040 -3.341 1.00 0.00 H new ATOM 0 HG2 GLN A 64 13.568 -5.832 -2.363 1.00 0.00 H new ATOM 0 HG3 GLN A 64 13.686 -7.303 -3.308 1.00 0.00 H new ATOM 0 HE21 GLN A 64 14.974 -5.478 -0.607 1.00 0.00 H new ATOM 0 HE22 GLN A 64 15.917 -6.794 0.100 1.00 0.00 H new HETATM 1023 N SEP A 65 13.048 -7.114 -5.632 1.00 0.00 N HETATM 1024 CA SEP A 65 12.601 -8.134 -6.568 1.00 0.00 C HETATM 1025 CB SEP A 65 13.534 -9.362 -6.512 1.00 0.00 C HETATM 1026 OG SEP A 65 13.150 -10.353 -7.465 1.00 0.00 O HETATM 1027 C SEP A 65 11.152 -8.537 -6.294 1.00 0.00 C HETATM 1028 O SEP A 65 10.532 -8.050 -5.345 1.00 0.00 O HETATM 1029 P SEP A 65 14.207 -10.961 -8.478 1.00 0.00 P HETATM 1030 O1P SEP A 65 15.523 -11.212 -7.897 1.00 0.00 O HETATM 1031 O2P SEP A 65 13.691 -12.080 -9.270 1.00 0.00 O HETATM 1032 O3P SEP A 65 14.456 -9.813 -9.539 1.00 0.00 O HETATM 0 HB3 SEP A 65 14.561 -9.050 -6.704 1.00 0.00 H new HETATM 0 HB2 SEP A 65 13.513 -9.791 -5.510 1.00 0.00 H new HETATM 0 HA SEP A 65 12.643 -7.715 -7.573 1.00 0.00 H new ATOM 1037 N ILE A 66 10.635 -9.426 -7.126 1.00 0.00 N ATOM 1038 CA ILE A 66 9.265 -9.895 -7.031 1.00 0.00 C ATOM 1039 C ILE A 66 9.189 -11.162 -6.166 1.00 0.00 C ATOM 1040 O ILE A 66 10.169 -11.899 -6.041 1.00 0.00 O ATOM 1041 CB ILE A 66 8.693 -10.187 -8.452 1.00 0.00 C ATOM 1042 CG1 ILE A 66 7.207 -10.491 -8.390 1.00 0.00 C ATOM 1043 CG2 ILE A 66 9.430 -11.347 -9.101 1.00 0.00 C ATOM 1044 CD1 ILE A 66 6.554 -10.594 -9.740 1.00 0.00 C ATOM 0 H ILE A 66 11.160 -9.845 -7.893 1.00 0.00 H new ATOM 0 HA ILE A 66 8.667 -9.114 -6.562 1.00 0.00 H new ATOM 0 HB ILE A 66 8.840 -9.292 -9.057 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.059 -11.428 -7.852 1.00 0.00 H new ATOM 0 HG13 ILE A 66 6.709 -9.711 -7.814 1.00 0.00 H new ATOM 0 HG21 ILE A 66 9.015 -11.533 -10.091 1.00 0.00 H new ATOM 0 HG22 ILE A 66 10.488 -11.101 -9.192 1.00 0.00 H new ATOM 0 HG23 ILE A 66 9.317 -12.240 -8.486 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.493 -10.813 -9.615 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.670 -9.650 -10.273 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.025 -11.394 -10.312 1.00 0.00 H new ATOM 1056 N VAL A 67 8.035 -11.401 -5.569 1.00 0.00 N ATOM 1057 CA VAL A 67 7.839 -12.574 -4.729 1.00 0.00 C ATOM 1058 C VAL A 67 7.376 -13.752 -5.576 1.00 0.00 C ATOM 1059 O VAL A 67 6.469 -13.613 -6.399 1.00 0.00 O ATOM 1060 CB VAL A 67 6.786 -12.314 -3.634 1.00 0.00 C ATOM 1061 CG1 VAL A 67 6.973 -13.267 -2.462 1.00 0.00 C ATOM 1062 CG2 VAL A 67 6.838 -10.877 -3.172 1.00 0.00 C ATOM 0 H VAL A 67 7.216 -10.798 -5.649 1.00 0.00 H new ATOM 0 HA VAL A 67 8.795 -12.799 -4.255 1.00 0.00 H new ATOM 0 HB VAL A 67 5.801 -12.498 -4.062 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.218 -13.063 -1.703 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.870 -14.295 -2.809 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.965 -13.126 -2.033 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.086 -10.716 -2.399 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.827 -10.660 -2.767 1.00 0.00 H new ATOM 0 HG23 VAL A 67 6.638 -10.216 -4.016 1.00 0.00 H new ATOM 1072 N HIS A 68 7.996 -14.899 -5.382 1.00 0.00 N ATOM 1073 CA HIS A 68 7.643 -16.096 -6.129 1.00 0.00 C ATOM 1074 C HIS A 68 6.893 -17.054 -5.219 1.00 0.00 C ATOM 1075 O HIS A 68 7.473 -17.647 -4.313 1.00 0.00 O ATOM 1076 CB HIS A 68 8.906 -16.778 -6.699 1.00 0.00 C ATOM 1077 CG HIS A 68 9.700 -15.926 -7.663 1.00 0.00 C ATOM 1078 ND1 HIS A 68 10.040 -14.617 -7.583 1.00 0.00 N flip ATOM 1079 CD2 HIS A 68 10.239 -16.454 -8.814 1.00 0.00 C flip ATOM 1080 CE1 HIS A 68 10.797 -14.331 -8.687 1.00 0.00 C flip ATOM 1081 NE2 HIS A 68 10.890 -15.456 -9.395 1.00 0.00 N flip ATOM 0 H HIS A 68 8.752 -15.030 -4.710 1.00 0.00 H new ATOM 0 HA HIS A 68 7.004 -15.815 -6.967 1.00 0.00 H new ATOM 0 HB2 HIS A 68 9.553 -17.065 -5.870 1.00 0.00 H new ATOM 0 HB3 HIS A 68 8.610 -17.697 -7.205 1.00 0.00 H new ATOM 0 HD1 HIS A 68 9.781 -13.967 -6.840 1.00 0.00 H new ATOM 0 HD2 HIS A 68 10.150 -17.470 -9.170 1.00 0.00 H new ATOM 0 HE1 HIS A 68 11.235 -13.376 -8.937 1.00 0.00 H new ATOM 1089 N ILE A 69 5.611 -17.198 -5.447 1.00 0.00 N ATOM 1090 CA ILE A 69 4.800 -18.045 -4.599 1.00 0.00 C ATOM 1091 C ILE A 69 4.473 -19.369 -5.279 1.00 0.00 C ATOM 1092 O ILE A 69 3.851 -19.406 -6.343 1.00 0.00 O ATOM 1093 CB ILE A 69 3.508 -17.331 -4.149 1.00 0.00 C ATOM 1094 CG1 ILE A 69 3.861 -16.030 -3.415 1.00 0.00 C ATOM 1095 CG2 ILE A 69 2.689 -18.242 -3.252 1.00 0.00 C ATOM 1096 CD1 ILE A 69 2.674 -15.332 -2.783 1.00 0.00 C ATOM 0 H ILE A 69 5.106 -16.744 -6.208 1.00 0.00 H new ATOM 0 HA ILE A 69 5.391 -18.260 -3.709 1.00 0.00 H new ATOM 0 HB ILE A 69 2.911 -17.088 -5.028 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.594 -16.251 -2.639 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.338 -15.347 -4.118 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.780 -17.726 -2.942 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.424 -19.147 -3.798 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.274 -18.507 -2.372 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.010 -14.422 -2.285 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.949 -15.076 -3.555 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.209 -15.994 -2.053 1.00 0.00 H new ATOM 1108 N VAL A 70 4.901 -20.447 -4.648 1.00 0.00 N ATOM 1109 CA VAL A 70 4.720 -21.791 -5.167 1.00 0.00 C ATOM 1110 C VAL A 70 3.724 -22.548 -4.302 1.00 0.00 C ATOM 1111 O VAL A 70 3.735 -22.414 -3.090 1.00 0.00 O ATOM 1112 CB VAL A 70 6.063 -22.567 -5.141 1.00 0.00 C ATOM 1113 CG1 VAL A 70 5.942 -23.906 -5.846 1.00 0.00 C ATOM 1114 CG2 VAL A 70 7.191 -21.734 -5.734 1.00 0.00 C ATOM 0 H VAL A 70 5.389 -20.414 -3.753 1.00 0.00 H new ATOM 0 HA VAL A 70 4.356 -21.712 -6.191 1.00 0.00 H new ATOM 0 HB VAL A 70 6.308 -22.765 -4.098 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.900 -24.424 -5.810 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.183 -24.511 -5.350 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.655 -23.745 -6.885 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.120 -22.304 -5.702 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.954 -21.484 -6.768 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.308 -20.817 -5.157 1.00 0.00 H new ATOM 1124 N GLN A 71 2.857 -23.328 -4.916 1.00 0.00 N ATOM 1125 CA GLN A 71 1.923 -24.132 -4.150 1.00 0.00 C ATOM 1126 C GLN A 71 2.173 -25.605 -4.393 1.00 0.00 C ATOM 1127 O GLN A 71 2.520 -26.009 -5.505 1.00 0.00 O ATOM 1128 CB GLN A 71 0.468 -23.794 -4.491 1.00 0.00 C ATOM 1129 CG GLN A 71 0.061 -24.130 -5.917 1.00 0.00 C ATOM 1130 CD GLN A 71 -1.441 -24.142 -6.094 1.00 0.00 C ATOM 1131 OE1 GLN A 71 -2.184 -24.451 -5.164 1.00 0.00 O ATOM 1132 NE2 GLN A 71 -1.897 -23.816 -7.282 1.00 0.00 N ATOM 0 H GLN A 71 2.779 -23.423 -5.929 1.00 0.00 H new ATOM 0 HA GLN A 71 2.086 -23.903 -3.097 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.187 -24.330 -3.804 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.306 -22.730 -4.321 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.500 -23.402 -6.599 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.465 -25.105 -6.188 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.247 -23.566 -8.027 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.901 -23.813 -7.460 1.00 0.00 H new ATOM 1141 N ARG A 72 2.015 -26.401 -3.358 1.00 0.00 N ATOM 1142 CA ARG A 72 2.147 -27.843 -3.474 1.00 0.00 C ATOM 1143 C ARG A 72 0.937 -28.527 -2.862 1.00 0.00 C ATOM 1144 O ARG A 72 0.992 -29.027 -1.737 1.00 0.00 O ATOM 1145 CB ARG A 72 3.445 -28.348 -2.827 1.00 0.00 C ATOM 1146 CG ARG A 72 4.701 -27.963 -3.592 1.00 0.00 C ATOM 1147 CD ARG A 72 5.957 -28.468 -2.899 1.00 0.00 C ATOM 1148 NE ARG A 72 7.158 -28.206 -3.696 1.00 0.00 N ATOM 1149 CZ ARG A 72 8.378 -28.010 -3.188 1.00 0.00 C ATOM 1150 NH1 ARG A 72 8.567 -28.004 -1.871 1.00 0.00 N1+ ATOM 1151 NH2 ARG A 72 9.409 -27.807 -4.003 1.00 0.00 N ATOM 0 H ARG A 72 1.793 -26.074 -2.418 1.00 0.00 H new ATOM 0 HA ARG A 72 2.197 -28.093 -4.534 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.513 -27.953 -1.813 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.400 -29.434 -2.743 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.652 -28.372 -4.601 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.750 -26.878 -3.690 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.054 -27.987 -1.926 1.00 0.00 H new ATOM 0 HD3 ARG A 72 5.867 -29.539 -2.718 1.00 0.00 H new ATOM 0 HE ARG A 72 7.056 -28.171 -4.710 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.778 -28.150 -1.242 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.501 -27.854 -1.491 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.267 -27.801 -5.013 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.342 -27.657 -3.618 1.00 0.00 H new ATOM 1165 N PRO A 73 -0.193 -28.519 -3.584 1.00 0.00 N ATOM 1166 CA PRO A 73 -1.425 -29.112 -3.127 1.00 0.00 C ATOM 1167 C PRO A 73 -1.580 -30.546 -3.609 1.00 0.00 C ATOM 1168 O PRO A 73 -0.875 -30.990 -4.520 1.00 0.00 O ATOM 1169 CB PRO A 73 -2.470 -28.220 -3.786 1.00 0.00 C ATOM 1170 CG PRO A 73 -1.857 -27.821 -5.094 1.00 0.00 C ATOM 1171 CD PRO A 73 -0.354 -27.918 -4.921 1.00 0.00 C ATOM 0 HA PRO A 73 -1.493 -29.167 -2.041 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -3.409 -28.753 -3.935 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.692 -27.348 -3.170 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -2.197 -28.476 -5.896 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.150 -26.807 -5.365 1.00 0.00 H new ATOM 0 HD2 PRO A 73 0.099 -28.537 -5.695 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.120 -26.938 -4.979 1.00 0.00 H new ATOM 1179 N TRP A 74 -2.488 -31.269 -3.002 1.00 0.00 N ATOM 1180 CA TRP A 74 -2.748 -32.630 -3.400 1.00 0.00 C ATOM 1181 C TRP A 74 -4.108 -32.725 -4.084 1.00 0.00 C ATOM 1182 O TRP A 74 -4.388 -33.675 -4.816 1.00 0.00 O ATOM 1183 CB TRP A 74 -2.675 -33.572 -2.191 1.00 0.00 C ATOM 1184 CG TRP A 74 -2.880 -35.012 -2.547 1.00 0.00 C ATOM 1185 CD1 TRP A 74 -2.090 -35.776 -3.355 1.00 0.00 C ATOM 1186 CD2 TRP A 74 -3.949 -35.857 -2.111 1.00 0.00 C ATOM 1187 NE1 TRP A 74 -2.605 -37.044 -3.451 1.00 0.00 N ATOM 1188 CE2 TRP A 74 -3.745 -37.119 -2.696 1.00 0.00 C ATOM 1189 CE3 TRP A 74 -5.057 -35.667 -1.283 1.00 0.00 C ATOM 1190 CZ2 TRP A 74 -4.609 -38.185 -2.480 1.00 0.00 C ATOM 1191 CZ3 TRP A 74 -5.913 -36.728 -1.069 1.00 0.00 C ATOM 1192 CH2 TRP A 74 -5.684 -37.973 -1.665 1.00 0.00 C ATOM 0 H TRP A 74 -3.062 -30.936 -2.227 1.00 0.00 H new ATOM 0 HA TRP A 74 -1.982 -32.939 -4.111 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -1.704 -33.459 -1.710 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -3.429 -33.275 -1.462 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -1.192 -35.433 -3.847 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -2.204 -37.807 -3.996 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.240 -34.709 -0.819 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -4.437 -39.147 -2.940 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -6.774 -36.595 -0.431 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -6.372 -38.784 -1.476 1.00 0.00 H new ATOM 1203 N ARG A 75 -4.943 -31.727 -3.858 1.00 0.00 N ATOM 1204 CA ARG A 75 -6.261 -31.696 -4.451 1.00 0.00 C ATOM 1205 C ARG A 75 -6.570 -30.299 -4.972 1.00 0.00 C ATOM 1206 O ARG A 75 -7.031 -29.431 -4.225 1.00 0.00 O ATOM 1207 CB ARG A 75 -7.309 -32.132 -3.427 1.00 0.00 C ATOM 1208 CG ARG A 75 -8.708 -32.298 -3.995 1.00 0.00 C ATOM 1209 CD ARG A 75 -9.673 -32.767 -2.921 1.00 0.00 C ATOM 1210 NE ARG A 75 -9.239 -34.021 -2.307 1.00 0.00 N ATOM 1211 CZ ARG A 75 -9.388 -34.316 -1.015 1.00 0.00 C ATOM 1212 NH1 ARG A 75 -10.000 -33.463 -0.200 1.00 0.00 N1+ ATOM 1213 NH2 ARG A 75 -8.936 -35.469 -0.543 1.00 0.00 N ATOM 0 H ARG A 75 -4.727 -30.926 -3.265 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.287 -32.391 -5.290 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.995 -33.077 -2.984 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -7.341 -31.397 -2.622 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -9.052 -31.351 -4.411 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.690 -33.017 -4.814 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -9.762 -31.999 -2.153 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -10.664 -32.900 -3.356 1.00 0.00 H new ATOM 0 HE ARG A 75 -8.793 -34.716 -2.906 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -10.358 -32.579 -0.562 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -10.112 -33.692 0.788 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.474 -36.130 -1.168 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.050 -35.695 0.445 1.00 0.00 H new ATOM 1227 N LYS A 76 -6.289 -30.072 -6.239 1.00 0.00 N ATOM 1228 CA LYS A 76 -6.533 -28.783 -6.851 1.00 0.00 C ATOM 1229 C LYS A 76 -6.832 -28.949 -8.332 1.00 0.00 C ATOM 1230 O LYS A 76 -8.019 -28.889 -8.707 1.00 0.00 O ATOM 1231 CB LYS A 76 -5.332 -27.851 -6.636 1.00 0.00 C ATOM 1232 CG LYS A 76 -5.544 -26.424 -7.136 1.00 0.00 C ATOM 1233 CD LYS A 76 -6.790 -25.782 -6.523 1.00 0.00 C ATOM 1234 CE LYS A 76 -6.720 -25.741 -5.002 1.00 0.00 C ATOM 1235 NZ LYS A 76 -7.955 -25.173 -4.408 1.00 0.00 N1+ ATOM 1236 OXT LYS A 76 -5.883 -29.165 -9.113 1.00 0.00 O ATOM 0 H LYS A 76 -5.889 -30.769 -6.868 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.403 -28.330 -6.376 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.098 -27.819 -5.572 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -4.464 -28.275 -7.141 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.669 -25.821 -6.894 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -5.636 -26.430 -8.222 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -6.903 -24.769 -6.908 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -7.674 -26.340 -6.831 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -6.563 -26.749 -4.618 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -5.861 -25.145 -4.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.043 -25.489 -3.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -7.908 -24.134 -4.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.782 -25.497 -4.950 1.00 0.00 H new TER 1250 LYS A 76