USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 687 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: p 2 GLN :FLIP amide:sc= 0.639 F(o=-5!,f=1.4) USER MOD Set 1.2: p 6 LYS NZ :NH3+ 167:sc= 0.725 (180deg=0) USER MOD Single : p 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : p 1 MET N :NH3+ 170:sc= -0.314 (180deg=-0.427) USER MOD Single : p 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 11 ASN : amide:sc= -0.109 K(o=-0.11,f=-1.1!) USER MOD Single : p 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 34 CYS SG : rot 180:sc= 0 USER MOD Single : p 36 CYS SG : rot 180:sc= -0.959 USER MOD Single : p 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 41 CYS SG : rot 180:sc= 0 USER MOD Single : p 42 SER OG : rot 180:sc= 0 USER MOD Single : p 43 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : p 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : p 48 TYR OH : rot 180:sc= -0.0764 USER MOD Single : p 49 SER OG : rot 180:sc= 0 USER MOD Single : p 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 56 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.257) USER MOD Single : p 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 71 ASN : amide:sc= -0.0108 X(o=-0.011,f=0) USER MOD Single : p 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : p 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : p 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET p 1 -7.104 24.419 3.174 1.00 0.00 N ATOM 2 CA MET p 1 -6.720 23.499 2.062 1.00 0.00 C ATOM 3 C MET p 1 -5.495 22.641 2.431 1.00 0.00 C ATOM 4 O MET p 1 -4.904 21.977 1.572 1.00 0.00 O ATOM 5 CB MET p 1 -6.471 24.297 0.757 1.00 0.00 C ATOM 6 CG MET p 1 -5.567 25.527 0.897 1.00 0.00 C ATOM 7 SD MET p 1 -3.835 25.100 1.161 1.00 0.00 S ATOM 8 CE MET p 1 -3.096 26.727 1.259 1.00 0.00 C ATOM 0 H1 MET p 1 -7.818 25.095 2.835 1.00 0.00 H new ATOM 0 H2 MET p 1 -7.498 23.866 3.962 1.00 0.00 H new ATOM 0 H3 MET p 1 -6.264 24.938 3.501 1.00 0.00 H new ATOM 0 HA MET p 1 -7.552 22.816 1.893 1.00 0.00 H new ATOM 0 HB2 MET p 1 -6.030 23.626 0.020 1.00 0.00 H new ATOM 0 HB3 MET p 1 -7.434 24.619 0.359 1.00 0.00 H new ATOM 0 HG2 MET p 1 -5.652 26.138 -0.002 1.00 0.00 H new ATOM 0 HG3 MET p 1 -5.917 26.136 1.731 1.00 0.00 H new ATOM 0 HE1 MET p 1 -2.023 26.630 1.421 1.00 0.00 H new ATOM 0 HE2 MET p 1 -3.275 27.265 0.328 1.00 0.00 H new ATOM 0 HE3 MET p 1 -3.540 27.279 2.088 1.00 0.00 H new ATOM 20 N GLN p 2 -5.123 22.667 3.713 1.00 0.00 N ATOM 21 CA GLN p 2 -3.993 21.917 4.228 1.00 0.00 C ATOM 22 C GLN p 2 -4.440 20.854 5.243 1.00 0.00 C ATOM 23 O GLN p 2 -3.631 20.076 5.747 1.00 0.00 O ATOM 24 CB GLN p 2 -3.052 22.906 4.900 1.00 0.00 C ATOM 25 CG GLN p 2 -2.163 23.663 3.931 1.00 0.00 C ATOM 26 CD GLN p 2 -1.106 24.494 4.633 1.00 0.00 C ATOM 27 OE1 GLN p 2 0.050 23.893 4.883 1.00 0.00 O flip ATOM 28 NE2 GLN p 2 -1.327 25.663 4.948 1.00 0.00 N flip ATOM 0 H GLN p 2 -5.607 23.217 4.423 1.00 0.00 H new ATOM 0 HA GLN p 2 -3.498 21.396 3.408 1.00 0.00 H new ATOM 0 HB2 GLN p 2 -3.642 23.622 5.473 1.00 0.00 H new ATOM 0 HB3 GLN p 2 -2.424 22.369 5.611 1.00 0.00 H new ATOM 0 HG2 GLN p 2 -1.676 22.954 3.261 1.00 0.00 H new ATOM 0 HG3 GLN p 2 -2.780 24.315 3.312 1.00 0.00 H new ATOM 0 HE21 GLN p 2 -2.231 26.086 4.736 1.00 0.00 H new ATOM 0 HE22 GLN p 2 -0.606 26.209 5.421 1.00 0.00 H new ATOM 37 N ALA p 3 -5.736 20.835 5.530 1.00 0.00 N ATOM 38 CA ALA p 3 -6.319 19.916 6.510 1.00 0.00 C ATOM 39 C ALA p 3 -6.813 18.627 5.875 1.00 0.00 C ATOM 40 O ALA p 3 -6.646 17.547 6.430 1.00 0.00 O ATOM 41 CB ALA p 3 -7.445 20.604 7.273 1.00 0.00 C ATOM 0 H ALA p 3 -6.416 21.456 5.091 1.00 0.00 H new ATOM 0 HA ALA p 3 -5.527 19.642 7.207 1.00 0.00 H new ATOM 0 HB1 ALA p 3 -7.870 19.910 7.998 1.00 0.00 H new ATOM 0 HB2 ALA p 3 -7.051 21.477 7.793 1.00 0.00 H new ATOM 0 HB3 ALA p 3 -8.220 20.917 6.574 1.00 0.00 H new ATOM 47 N LEU p 4 -7.466 18.795 4.734 1.00 0.00 N ATOM 48 CA LEU p 4 -8.056 17.726 3.959 1.00 0.00 C ATOM 49 C LEU p 4 -7.111 17.283 2.853 1.00 0.00 C ATOM 50 O LEU p 4 -6.802 16.104 2.712 1.00 0.00 O ATOM 51 CB LEU p 4 -9.425 18.197 3.398 1.00 0.00 C ATOM 52 CG LEU p 4 -10.317 17.141 2.708 1.00 0.00 C ATOM 53 CD1 LEU p 4 -10.005 17.070 1.222 1.00 0.00 C ATOM 54 CD2 LEU p 4 -10.151 15.771 3.349 1.00 0.00 C ATOM 0 H LEU p 4 -7.601 19.714 4.312 1.00 0.00 H new ATOM 0 HA LEU p 4 -8.226 16.859 4.597 1.00 0.00 H new ATOM 0 HB2 LEU p 4 -9.994 18.631 4.220 1.00 0.00 H new ATOM 0 HB3 LEU p 4 -9.237 18.998 2.682 1.00 0.00 H new ATOM 0 HG LEU p 4 -11.355 17.448 2.836 1.00 0.00 H new ATOM 0 HD11 LEU p 4 -10.642 16.321 0.752 1.00 0.00 H new ATOM 0 HD12 LEU p 4 -10.189 18.042 0.765 1.00 0.00 H new ATOM 0 HD13 LEU p 4 -8.959 16.796 1.082 1.00 0.00 H new ATOM 0 HD21 LEU p 4 -10.792 15.051 2.840 1.00 0.00 H new ATOM 0 HD22 LEU p 4 -9.112 15.454 3.265 1.00 0.00 H new ATOM 0 HD23 LEU p 4 -10.430 15.825 4.401 1.00 0.00 H new ATOM 66 N GLU p 5 -6.676 18.279 2.082 1.00 0.00 N ATOM 67 CA GLU p 5 -5.771 18.105 0.929 1.00 0.00 C ATOM 68 C GLU p 5 -4.388 17.651 1.350 1.00 0.00 C ATOM 69 O GLU p 5 -3.709 16.956 0.600 1.00 0.00 O ATOM 70 CB GLU p 5 -5.635 19.405 0.129 1.00 0.00 C ATOM 71 CG GLU p 5 -6.897 20.251 0.101 1.00 0.00 C ATOM 72 CD GLU p 5 -7.346 20.593 -1.306 1.00 0.00 C ATOM 73 OE1 GLU p 5 -8.131 19.813 -1.886 1.00 0.00 O ATOM 74 OE2 GLU p 5 -6.915 21.643 -1.829 1.00 0.00 O ATOM 0 H GLU p 5 -6.944 19.251 2.238 1.00 0.00 H new ATOM 0 HA GLU p 5 -6.221 17.332 0.306 1.00 0.00 H new ATOM 0 HB2 GLU p 5 -4.823 19.996 0.553 1.00 0.00 H new ATOM 0 HB3 GLU p 5 -5.351 19.161 -0.895 1.00 0.00 H new ATOM 0 HG2 GLU p 5 -7.698 19.717 0.613 1.00 0.00 H new ATOM 0 HG3 GLU p 5 -6.723 21.173 0.656 1.00 0.00 H new ATOM 81 N LYS p 6 -3.983 18.081 2.539 1.00 0.00 N ATOM 82 CA LYS p 6 -2.683 17.703 3.106 1.00 0.00 C ATOM 83 C LYS p 6 -2.824 16.452 3.959 1.00 0.00 C ATOM 84 O LYS p 6 -1.832 15.868 4.378 1.00 0.00 O ATOM 85 CB LYS p 6 -2.057 18.831 3.910 1.00 0.00 C ATOM 86 CG LYS p 6 -1.119 19.714 3.095 1.00 0.00 C ATOM 87 CD LYS p 6 -0.178 20.509 3.986 1.00 0.00 C ATOM 88 CE LYS p 6 0.864 21.255 3.167 1.00 0.00 C ATOM 89 NZ LYS p 6 1.914 21.865 4.026 1.00 0.00 N ATOM 0 H LYS p 6 -4.536 18.696 3.136 1.00 0.00 H new ATOM 0 HA LYS p 6 -2.012 17.493 2.273 1.00 0.00 H new ATOM 0 HB2 LYS p 6 -2.850 19.449 4.331 1.00 0.00 H new ATOM 0 HB3 LYS p 6 -1.505 18.406 4.748 1.00 0.00 H new ATOM 0 HG2 LYS p 6 -0.537 19.094 2.413 1.00 0.00 H new ATOM 0 HG3 LYS p 6 -1.705 20.399 2.482 1.00 0.00 H new ATOM 0 HD2 LYS p 6 -0.752 21.219 4.581 1.00 0.00 H new ATOM 0 HD3 LYS p 6 0.319 19.836 4.684 1.00 0.00 H new ATOM 0 HE2 LYS p 6 1.328 20.569 2.459 1.00 0.00 H new ATOM 0 HE3 LYS p 6 0.376 22.034 2.582 1.00 0.00 H new ATOM 0 HZ1 LYS p 6 2.713 22.170 3.434 1.00 0.00 H new ATOM 0 HZ2 LYS p 6 1.519 22.687 4.526 1.00 0.00 H new ATOM 0 HZ3 LYS p 6 2.245 21.165 4.720 1.00 0.00 H new ATOM 103 N GLU p 7 -4.085 16.092 4.229 1.00 0.00 N ATOM 104 CA GLU p 7 -4.456 14.868 4.941 1.00 0.00 C ATOM 105 C GLU p 7 -4.596 13.790 3.866 1.00 0.00 C ATOM 106 O GLU p 7 -4.502 12.585 4.108 1.00 0.00 O ATOM 107 CB GLU p 7 -5.773 15.102 5.688 1.00 0.00 C ATOM 108 CG GLU p 7 -6.675 13.886 5.817 1.00 0.00 C ATOM 109 CD GLU p 7 -6.941 13.499 7.258 1.00 0.00 C ATOM 110 OE1 GLU p 7 -7.924 14.007 7.837 1.00 0.00 O ATOM 111 OE2 GLU p 7 -6.168 12.686 7.808 1.00 0.00 O ATOM 0 H GLU p 7 -4.889 16.655 3.953 1.00 0.00 H new ATOM 0 HA GLU p 7 -3.717 14.568 5.684 1.00 0.00 H new ATOM 0 HB2 GLU p 7 -5.543 15.470 6.688 1.00 0.00 H new ATOM 0 HB3 GLU p 7 -6.326 15.890 5.177 1.00 0.00 H new ATOM 0 HG2 GLU p 7 -7.623 14.089 5.320 1.00 0.00 H new ATOM 0 HG3 GLU p 7 -6.217 13.044 5.298 1.00 0.00 H new ATOM 118 N LEU p 8 -4.819 14.328 2.671 1.00 0.00 N ATOM 119 CA LEU p 8 -4.956 13.625 1.424 1.00 0.00 C ATOM 120 C LEU p 8 -3.564 13.479 0.865 1.00 0.00 C ATOM 121 O LEU p 8 -3.217 12.451 0.321 1.00 0.00 O ATOM 122 CB LEU p 8 -5.815 14.476 0.483 1.00 0.00 C ATOM 123 CG LEU p 8 -6.474 13.797 -0.720 1.00 0.00 C ATOM 124 CD1 LEU p 8 -7.298 14.839 -1.432 1.00 0.00 C ATOM 125 CD2 LEU p 8 -5.449 13.206 -1.679 1.00 0.00 C ATOM 0 H LEU p 8 -4.913 15.337 2.553 1.00 0.00 H new ATOM 0 HA LEU p 8 -5.428 12.650 1.545 1.00 0.00 H new ATOM 0 HB2 LEU p 8 -6.605 14.934 1.079 1.00 0.00 H new ATOM 0 HB3 LEU p 8 -5.190 15.286 0.105 1.00 0.00 H new ATOM 0 HG LEU p 8 -7.091 12.969 -0.370 1.00 0.00 H new ATOM 0 HD11 LEU p 8 -7.784 14.389 -2.298 1.00 0.00 H new ATOM 0 HD12 LEU p 8 -8.056 15.230 -0.753 1.00 0.00 H new ATOM 0 HD13 LEU p 8 -6.651 15.652 -1.761 1.00 0.00 H new ATOM 0 HD21 LEU p 8 -5.964 12.735 -2.517 1.00 0.00 H new ATOM 0 HD22 LEU p 8 -4.800 13.998 -2.051 1.00 0.00 H new ATOM 0 HD23 LEU p 8 -4.849 12.461 -1.156 1.00 0.00 H new ATOM 137 N ALA p 9 -2.800 14.575 1.020 1.00 0.00 N ATOM 138 CA ALA p 9 -1.386 14.656 0.630 1.00 0.00 C ATOM 139 C ALA p 9 -0.571 13.920 1.672 1.00 0.00 C ATOM 140 O ALA p 9 0.591 13.577 1.454 1.00 0.00 O ATOM 141 CB ALA p 9 -0.904 16.093 0.486 1.00 0.00 C ATOM 0 H ALA p 9 -3.155 15.441 1.426 1.00 0.00 H new ATOM 0 HA ALA p 9 -1.263 14.197 -0.351 1.00 0.00 H new ATOM 0 HB1 ALA p 9 0.147 16.097 0.197 1.00 0.00 H new ATOM 0 HB2 ALA p 9 -1.493 16.599 -0.279 1.00 0.00 H new ATOM 0 HB3 ALA p 9 -1.020 16.613 1.437 1.00 0.00 H new ATOM 147 N GLN p 10 -1.231 13.711 2.824 1.00 0.00 N ATOM 148 CA GLN p 10 -0.707 12.944 3.925 1.00 0.00 C ATOM 149 C GLN p 10 -1.082 11.511 3.617 1.00 0.00 C ATOM 150 O GLN p 10 -0.395 10.583 3.996 1.00 0.00 O ATOM 151 CB GLN p 10 -1.326 13.426 5.241 1.00 0.00 C ATOM 152 CG GLN p 10 -1.471 12.372 6.321 1.00 0.00 C ATOM 153 CD GLN p 10 -0.559 12.613 7.509 1.00 0.00 C ATOM 154 OE1 GLN p 10 0.575 12.134 7.543 1.00 0.00 O ATOM 155 NE2 GLN p 10 -1.051 13.358 8.491 1.00 0.00 N ATOM 0 H GLN p 10 -2.163 14.086 3.002 1.00 0.00 H new ATOM 0 HA GLN p 10 0.372 13.050 4.041 1.00 0.00 H new ATOM 0 HB2 GLN p 10 -0.716 14.240 5.632 1.00 0.00 H new ATOM 0 HB3 GLN p 10 -2.311 13.840 5.028 1.00 0.00 H new ATOM 0 HG2 GLN p 10 -2.506 12.350 6.663 1.00 0.00 H new ATOM 0 HG3 GLN p 10 -1.254 11.392 5.896 1.00 0.00 H new ATOM 0 HE21 GLN p 10 -1.996 13.735 8.421 1.00 0.00 H new ATOM 0 HE22 GLN p 10 -0.484 13.554 9.316 1.00 0.00 H new ATOM 164 N ASN p 11 -2.204 11.408 2.888 1.00 0.00 N ATOM 165 CA ASN p 11 -2.767 10.152 2.394 1.00 0.00 C ATOM 166 C ASN p 11 -2.052 9.801 1.100 1.00 0.00 C ATOM 167 O ASN p 11 -2.098 8.665 0.642 1.00 0.00 O ATOM 168 CB ASN p 11 -4.279 10.274 2.157 1.00 0.00 C ATOM 169 CG ASN p 11 -5.010 8.939 2.244 1.00 0.00 C ATOM 170 OD1 ASN p 11 -4.655 8.064 3.037 1.00 0.00 O ATOM 171 ND2 ASN p 11 -6.040 8.779 1.421 1.00 0.00 N ATOM 0 H ASN p 11 -2.757 12.223 2.621 1.00 0.00 H new ATOM 0 HA ASN p 11 -2.623 9.367 3.136 1.00 0.00 H new ATOM 0 HB2 ASN p 11 -4.701 10.961 2.891 1.00 0.00 H new ATOM 0 HB3 ASN p 11 -4.452 10.712 1.174 1.00 0.00 H new ATOM 0 HD21 ASN p 11 -6.570 7.907 1.430 1.00 0.00 H new ATOM 0 HD22 ASN p 11 -6.302 9.528 0.780 1.00 0.00 H new ATOM 178 N GLU p 12 -1.425 10.841 0.521 1.00 0.00 N ATOM 179 CA GLU p 12 -0.584 10.734 -0.679 1.00 0.00 C ATOM 180 C GLU p 12 0.791 10.458 -0.166 1.00 0.00 C ATOM 181 O GLU p 12 1.672 9.970 -0.866 1.00 0.00 O ATOM 182 CB GLU p 12 -0.561 12.014 -1.505 1.00 0.00 C ATOM 183 CG GLU p 12 -1.935 12.424 -1.952 1.00 0.00 C ATOM 184 CD GLU p 12 -1.998 12.823 -3.413 1.00 0.00 C ATOM 185 OE1 GLU p 12 -2.243 11.938 -4.260 1.00 0.00 O ATOM 186 OE2 GLU p 12 -1.803 14.021 -3.711 1.00 0.00 O ATOM 0 H GLU p 12 -1.491 11.793 0.881 1.00 0.00 H new ATOM 0 HA GLU p 12 -0.972 9.957 -1.338 1.00 0.00 H new ATOM 0 HB2 GLU p 12 -0.117 12.817 -0.916 1.00 0.00 H new ATOM 0 HB3 GLU p 12 0.076 11.870 -2.378 1.00 0.00 H new ATOM 0 HG2 GLU p 12 -2.627 11.600 -1.778 1.00 0.00 H new ATOM 0 HG3 GLU p 12 -2.274 13.260 -1.340 1.00 0.00 H new ATOM 193 N TRP p 13 0.915 10.850 1.099 1.00 0.00 N ATOM 194 CA TRP p 13 2.120 10.646 1.907 1.00 0.00 C ATOM 195 C TRP p 13 2.032 9.284 2.594 1.00 0.00 C ATOM 196 O TRP p 13 3.047 8.711 2.977 1.00 0.00 O ATOM 197 CB TRP p 13 2.314 11.750 2.947 1.00 0.00 C ATOM 198 CG TRP p 13 3.752 11.972 3.329 1.00 0.00 C ATOM 199 CD1 TRP p 13 4.632 12.823 2.727 1.00 0.00 C ATOM 200 CD2 TRP p 13 4.476 11.333 4.394 1.00 0.00 C ATOM 201 NE1 TRP p 13 5.855 12.757 3.349 1.00 0.00 N ATOM 202 CE2 TRP p 13 5.785 11.850 4.374 1.00 0.00 C ATOM 203 CE3 TRP p 13 4.145 10.377 5.363 1.00 0.00 C ATOM 204 CZ2 TRP p 13 6.761 11.444 5.281 1.00 0.00 C ATOM 205 CZ3 TRP p 13 5.116 9.976 6.262 1.00 0.00 C ATOM 206 CH2 TRP p 13 6.410 10.509 6.216 1.00 0.00 C ATOM 0 H TRP p 13 0.168 11.328 1.603 1.00 0.00 H new ATOM 0 HA TRP p 13 2.984 10.681 1.244 1.00 0.00 H new ATOM 0 HB2 TRP p 13 1.902 12.681 2.557 1.00 0.00 H new ATOM 0 HB3 TRP p 13 1.744 11.499 3.841 1.00 0.00 H new ATOM 0 HD1 TRP p 13 4.401 13.457 1.884 1.00 0.00 H new ATOM 0 HE1 TRP p 13 6.681 13.296 3.090 1.00 0.00 H new ATOM 0 HE3 TRP p 13 3.149 9.961 5.407 1.00 0.00 H new ATOM 0 HZ2 TRP p 13 7.760 11.853 5.247 1.00 0.00 H new ATOM 0 HZ3 TRP p 13 4.872 9.239 7.013 1.00 0.00 H new ATOM 0 HH2 TRP p 13 7.146 10.175 6.933 1.00 0.00 H new ATOM 217 N GLU p 14 0.783 8.808 2.764 1.00 0.00 N ATOM 218 CA GLU p 14 0.488 7.469 3.332 1.00 0.00 C ATOM 219 C GLU p 14 0.390 6.527 2.173 1.00 0.00 C ATOM 220 O GLU p 14 0.429 5.311 2.319 1.00 0.00 O ATOM 221 CB GLU p 14 -0.819 7.408 4.119 1.00 0.00 C ATOM 222 CG GLU p 14 -0.917 8.476 5.164 1.00 0.00 C ATOM 223 CD GLU p 14 -1.396 7.963 6.508 1.00 0.00 C ATOM 224 OE1 GLU p 14 -2.624 7.954 6.736 1.00 0.00 O ATOM 225 OE2 GLU p 14 -0.543 7.572 7.332 1.00 0.00 O ATOM 0 H GLU p 14 -0.052 9.337 2.513 1.00 0.00 H new ATOM 0 HA GLU p 14 1.280 7.214 4.036 1.00 0.00 H new ATOM 0 HB2 GLU p 14 -1.658 7.503 3.429 1.00 0.00 H new ATOM 0 HB3 GLU p 14 -0.906 6.431 4.595 1.00 0.00 H new ATOM 0 HG2 GLU p 14 0.060 8.942 5.289 1.00 0.00 H new ATOM 0 HG3 GLU p 14 -1.598 9.252 4.816 1.00 0.00 H new ATOM 232 N LEU p 15 0.184 7.172 1.032 1.00 0.00 N ATOM 233 CA LEU p 15 0.138 6.550 -0.286 1.00 0.00 C ATOM 234 C LEU p 15 1.579 6.375 -0.718 1.00 0.00 C ATOM 235 O LEU p 15 1.947 5.418 -1.386 1.00 0.00 O ATOM 236 CB LEU p 15 -0.571 7.476 -1.259 1.00 0.00 C ATOM 237 CG LEU p 15 -1.221 6.875 -2.502 1.00 0.00 C ATOM 238 CD1 LEU p 15 -1.822 8.013 -3.282 1.00 0.00 C ATOM 239 CD2 LEU p 15 -0.219 6.125 -3.364 1.00 0.00 C ATOM 0 H LEU p 15 0.039 8.181 0.997 1.00 0.00 H new ATOM 0 HA LEU p 15 -0.395 5.599 -0.263 1.00 0.00 H new ATOM 0 HB2 LEU p 15 -1.345 8.007 -0.705 1.00 0.00 H new ATOM 0 HB3 LEU p 15 0.151 8.222 -1.592 1.00 0.00 H new ATOM 0 HG LEU p 15 -1.978 6.150 -2.203 1.00 0.00 H new ATOM 0 HD11 LEU p 15 -2.299 7.625 -4.182 1.00 0.00 H new ATOM 0 HD12 LEU p 15 -2.565 8.522 -2.668 1.00 0.00 H new ATOM 0 HD13 LEU p 15 -1.038 8.717 -3.561 1.00 0.00 H new ATOM 0 HD21 LEU p 15 -0.726 5.714 -4.237 1.00 0.00 H new ATOM 0 HD22 LEU p 15 0.566 6.809 -3.688 1.00 0.00 H new ATOM 0 HD23 LEU p 15 0.223 5.313 -2.786 1.00 0.00 H new ATOM 251 N GLN p 16 2.350 7.389 -0.322 1.00 0.00 N ATOM 252 CA GLN p 16 3.766 7.494 -0.497 1.00 0.00 C ATOM 253 C GLN p 16 4.430 6.566 0.498 1.00 0.00 C ATOM 254 O GLN p 16 5.490 6.020 0.252 1.00 0.00 O ATOM 255 CB GLN p 16 4.128 8.919 -0.175 1.00 0.00 C ATOM 256 CG GLN p 16 5.544 9.258 -0.457 1.00 0.00 C ATOM 257 CD GLN p 16 5.715 10.287 -1.557 1.00 0.00 C ATOM 258 OE1 GLN p 16 5.744 11.491 -1.298 1.00 0.00 O ATOM 259 NE2 GLN p 16 5.829 9.819 -2.794 1.00 0.00 N ATOM 0 H GLN p 16 1.960 8.200 0.158 1.00 0.00 H new ATOM 0 HA GLN p 16 4.082 7.229 -1.506 1.00 0.00 H new ATOM 0 HB2 GLN p 16 3.484 9.586 -0.749 1.00 0.00 H new ATOM 0 HB3 GLN p 16 3.923 9.106 0.879 1.00 0.00 H new ATOM 0 HG2 GLN p 16 6.007 9.633 0.455 1.00 0.00 H new ATOM 0 HG3 GLN p 16 6.078 8.349 -0.735 1.00 0.00 H new ATOM 0 HE21 GLN p 16 5.800 8.814 -2.964 1.00 0.00 H new ATOM 0 HE22 GLN p 16 5.946 10.465 -3.575 1.00 0.00 H new ATOM 268 N ALA p 17 3.776 6.514 1.654 1.00 0.00 N ATOM 269 CA ALA p 17 4.141 5.637 2.773 1.00 0.00 C ATOM 270 C ALA p 17 3.577 4.255 2.501 1.00 0.00 C ATOM 271 O ALA p 17 3.970 3.279 3.129 1.00 0.00 O ATOM 272 CB ALA p 17 3.643 6.160 4.114 1.00 0.00 C ATOM 0 H ALA p 17 2.958 7.092 1.848 1.00 0.00 H new ATOM 0 HA ALA p 17 5.228 5.603 2.843 1.00 0.00 H new ATOM 0 HB1 ALA p 17 3.941 5.473 4.906 1.00 0.00 H new ATOM 0 HB2 ALA p 17 4.075 7.142 4.305 1.00 0.00 H new ATOM 0 HB3 ALA p 17 2.556 6.240 4.093 1.00 0.00 H new ATOM 278 N LEU p 18 2.610 4.228 1.565 1.00 0.00 N ATOM 279 CA LEU p 18 1.989 3.011 1.056 1.00 0.00 C ATOM 280 C LEU p 18 2.911 2.522 -0.038 1.00 0.00 C ATOM 281 O LEU p 18 3.074 1.330 -0.270 1.00 0.00 O ATOM 282 CB LEU p 18 0.624 3.346 0.464 1.00 0.00 C ATOM 283 CG LEU p 18 -0.387 2.222 0.247 1.00 0.00 C ATOM 284 CD1 LEU p 18 -1.647 2.858 -0.275 1.00 0.00 C ATOM 285 CD2 LEU p 18 0.114 1.183 -0.745 1.00 0.00 C ATOM 0 H LEU p 18 2.237 5.076 1.138 1.00 0.00 H new ATOM 0 HA LEU p 18 1.845 2.263 1.836 1.00 0.00 H new ATOM 0 HB2 LEU p 18 0.157 4.087 1.113 1.00 0.00 H new ATOM 0 HB3 LEU p 18 0.793 3.827 -0.500 1.00 0.00 H new ATOM 0 HG LEU p 18 -0.556 1.699 1.188 1.00 0.00 H new ATOM 0 HD11 LEU p 18 -2.400 2.088 -0.445 1.00 0.00 H new ATOM 0 HD12 LEU p 18 -2.021 3.577 0.454 1.00 0.00 H new ATOM 0 HD13 LEU p 18 -1.434 3.371 -1.213 1.00 0.00 H new ATOM 0 HD21 LEU p 18 -0.638 0.404 -0.867 1.00 0.00 H new ATOM 0 HD22 LEU p 18 0.302 1.660 -1.707 1.00 0.00 H new ATOM 0 HD23 LEU p 18 1.038 0.740 -0.373 1.00 0.00 H new ATOM 297 N GLU p 19 3.460 3.531 -0.722 1.00 0.00 N ATOM 298 CA GLU p 19 4.432 3.408 -1.764 1.00 0.00 C ATOM 299 C GLU p 19 5.757 3.024 -1.135 1.00 0.00 C ATOM 300 O GLU p 19 6.543 2.280 -1.700 1.00 0.00 O ATOM 301 CB GLU p 19 4.533 4.773 -2.398 1.00 0.00 C ATOM 302 CG GLU p 19 5.327 4.801 -3.651 1.00 0.00 C ATOM 303 CD GLU p 19 4.492 5.049 -4.892 1.00 0.00 C ATOM 304 OE1 GLU p 19 4.010 4.064 -5.489 1.00 0.00 O ATOM 305 OE2 GLU p 19 4.318 6.228 -5.266 1.00 0.00 O ATOM 0 H GLU p 19 3.210 4.503 -0.537 1.00 0.00 H new ATOM 0 HA GLU p 19 4.165 2.653 -2.504 1.00 0.00 H new ATOM 0 HB2 GLU p 19 3.528 5.139 -2.609 1.00 0.00 H new ATOM 0 HB3 GLU p 19 4.980 5.462 -1.682 1.00 0.00 H new ATOM 0 HG2 GLU p 19 6.087 5.579 -3.573 1.00 0.00 H new ATOM 0 HG3 GLU p 19 5.852 3.852 -3.760 1.00 0.00 H new ATOM 312 N LYS p 20 5.978 3.646 0.019 1.00 0.00 N ATOM 313 CA LYS p 20 7.135 3.411 0.880 1.00 0.00 C ATOM 314 C LYS p 20 6.908 2.134 1.674 1.00 0.00 C ATOM 315 O LYS p 20 7.833 1.584 2.266 1.00 0.00 O ATOM 316 CB LYS p 20 7.345 4.587 1.821 1.00 0.00 C ATOM 317 CG LYS p 20 8.749 5.160 1.803 1.00 0.00 C ATOM 318 CD LYS p 20 9.553 4.713 3.013 1.00 0.00 C ATOM 319 CE LYS p 20 10.960 5.288 2.991 1.00 0.00 C ATOM 320 NZ LYS p 20 11.753 4.860 4.176 1.00 0.00 N ATOM 0 H LYS p 20 5.339 4.348 0.393 1.00 0.00 H new ATOM 0 HA LYS p 20 8.029 3.306 0.266 1.00 0.00 H new ATOM 0 HB2 LYS p 20 6.640 5.376 1.560 1.00 0.00 H new ATOM 0 HB3 LYS p 20 7.108 4.271 2.837 1.00 0.00 H new ATOM 0 HG2 LYS p 20 9.258 4.847 0.892 1.00 0.00 H new ATOM 0 HG3 LYS p 20 8.698 6.249 1.782 1.00 0.00 H new ATOM 0 HD2 LYS p 20 9.045 5.027 3.925 1.00 0.00 H new ATOM 0 HD3 LYS p 20 9.604 3.624 3.035 1.00 0.00 H new ATOM 0 HE2 LYS p 20 11.468 4.970 2.080 1.00 0.00 H new ATOM 0 HE3 LYS p 20 10.907 6.376 2.963 1.00 0.00 H new ATOM 0 HZ1 LYS p 20 12.706 5.273 4.124 1.00 0.00 H new ATOM 0 HZ2 LYS p 20 11.282 5.185 5.045 1.00 0.00 H new ATOM 0 HZ3 LYS p 20 11.826 3.823 4.189 1.00 0.00 H new ATOM 334 N GLU p 21 5.633 1.712 1.686 1.00 0.00 N ATOM 335 CA GLU p 21 5.193 0.467 2.287 1.00 0.00 C ATOM 336 C GLU p 21 5.334 -0.557 1.180 1.00 0.00 C ATOM 337 O GLU p 21 5.602 -1.740 1.404 1.00 0.00 O ATOM 338 CB GLU p 21 3.746 0.595 2.784 1.00 0.00 C ATOM 339 CG GLU p 21 2.908 -0.670 2.702 1.00 0.00 C ATOM 340 CD GLU p 21 2.542 -1.226 4.064 1.00 0.00 C ATOM 341 OE1 GLU p 21 3.316 -2.050 4.596 1.00 0.00 O ATOM 342 OE2 GLU p 21 1.482 -0.839 4.598 1.00 0.00 O ATOM 0 H GLU p 21 4.872 2.247 1.266 1.00 0.00 H new ATOM 0 HA GLU p 21 5.776 0.184 3.164 1.00 0.00 H new ATOM 0 HB2 GLU p 21 3.766 0.930 3.821 1.00 0.00 H new ATOM 0 HB3 GLU p 21 3.250 1.375 2.207 1.00 0.00 H new ATOM 0 HG2 GLU p 21 1.996 -0.459 2.144 1.00 0.00 H new ATOM 0 HG3 GLU p 21 3.457 -1.427 2.142 1.00 0.00 H new ATOM 349 N LEU p 22 5.134 -0.026 -0.035 1.00 0.00 N ATOM 350 CA LEU p 22 5.309 -0.760 -1.270 1.00 0.00 C ATOM 351 C LEU p 22 6.809 -0.873 -1.500 1.00 0.00 C ATOM 352 O LEU p 22 7.328 -1.915 -1.900 1.00 0.00 O ATOM 353 CB LEU p 22 4.649 0.030 -2.404 1.00 0.00 C ATOM 354 CG LEU p 22 4.263 -0.717 -3.678 1.00 0.00 C ATOM 355 CD1 LEU p 22 3.560 0.262 -4.588 1.00 0.00 C ATOM 356 CD2 LEU p 22 5.481 -1.297 -4.381 1.00 0.00 C ATOM 0 H LEU p 22 4.842 0.941 -0.176 1.00 0.00 H new ATOM 0 HA LEU p 22 4.856 -1.751 -1.230 1.00 0.00 H new ATOM 0 HB2 LEU p 22 3.747 0.494 -2.005 1.00 0.00 H new ATOM 0 HB3 LEU p 22 5.326 0.837 -2.684 1.00 0.00 H new ATOM 0 HG LEU p 22 3.612 -1.554 -3.423 1.00 0.00 H new ATOM 0 HD11 LEU p 22 3.270 -0.242 -5.510 1.00 0.00 H new ATOM 0 HD12 LEU p 22 2.670 0.647 -4.090 1.00 0.00 H new ATOM 0 HD13 LEU p 22 4.231 1.088 -4.822 1.00 0.00 H new ATOM 0 HD21 LEU p 22 5.165 -1.821 -5.283 1.00 0.00 H new ATOM 0 HD22 LEU p 22 6.164 -0.491 -4.650 1.00 0.00 H new ATOM 0 HD23 LEU p 22 5.988 -1.995 -3.715 1.00 0.00 H new ATOM 368 N ALA p 23 7.473 0.254 -1.218 1.00 0.00 N ATOM 369 CA ALA p 23 8.934 0.368 -1.305 1.00 0.00 C ATOM 370 C ALA p 23 9.596 -0.295 -0.098 1.00 0.00 C ATOM 371 O ALA p 23 10.802 -0.499 -0.090 1.00 0.00 O ATOM 372 CB ALA p 23 9.382 1.821 -1.424 1.00 0.00 C ATOM 0 H ALA p 23 7.012 1.114 -0.922 1.00 0.00 H new ATOM 0 HA ALA p 23 9.249 -0.150 -2.211 1.00 0.00 H new ATOM 0 HB1 ALA p 23 10.469 1.863 -1.486 1.00 0.00 H new ATOM 0 HB2 ALA p 23 8.950 2.262 -2.322 1.00 0.00 H new ATOM 0 HB3 ALA p 23 9.047 2.378 -0.549 1.00 0.00 H new ATOM 378 N GLN p 24 8.767 -0.615 0.915 1.00 0.00 N ATOM 379 CA GLN p 24 9.176 -1.278 2.140 1.00 0.00 C ATOM 380 C GLN p 24 9.416 -2.763 1.866 1.00 0.00 C ATOM 381 O GLN p 24 10.247 -3.398 2.499 1.00 0.00 O ATOM 382 CB GLN p 24 8.058 -1.093 3.163 1.00 0.00 C ATOM 383 CG GLN p 24 8.105 -2.042 4.328 1.00 0.00 C ATOM 384 CD GLN p 24 8.188 -1.339 5.670 1.00 0.00 C ATOM 385 OE1 GLN p 24 7.168 -1.031 6.286 1.00 0.00 O ATOM 386 NE2 GLN p 24 9.407 -1.082 6.129 1.00 0.00 N ATOM 0 H GLN p 24 7.769 -0.408 0.890 1.00 0.00 H new ATOM 0 HA GLN p 24 10.104 -0.852 2.522 1.00 0.00 H new ATOM 0 HB2 GLN p 24 8.097 -0.072 3.543 1.00 0.00 H new ATOM 0 HB3 GLN p 24 7.099 -1.208 2.657 1.00 0.00 H new ATOM 0 HG2 GLN p 24 7.216 -2.673 4.310 1.00 0.00 H new ATOM 0 HG3 GLN p 24 8.966 -2.701 4.217 1.00 0.00 H new ATOM 0 HE21 GLN p 24 10.225 -1.355 5.585 1.00 0.00 H new ATOM 0 HE22 GLN p 24 9.525 -0.611 7.026 1.00 0.00 H new ATOM 395 N LEU p 25 8.675 -3.254 0.877 1.00 0.00 N ATOM 396 CA LEU p 25 8.699 -4.626 0.411 1.00 0.00 C ATOM 397 C LEU p 25 9.931 -4.783 -0.440 1.00 0.00 C ATOM 398 O LEU p 25 10.651 -5.746 -0.319 1.00 0.00 O ATOM 399 CB LEU p 25 7.433 -4.889 -0.416 1.00 0.00 C ATOM 400 CG LEU p 25 6.955 -6.338 -0.540 1.00 0.00 C ATOM 401 CD1 LEU p 25 5.674 -6.355 -1.338 1.00 0.00 C ATOM 402 CD2 LEU p 25 7.997 -7.216 -1.215 1.00 0.00 C ATOM 0 H LEU p 25 8.014 -2.676 0.359 1.00 0.00 H new ATOM 0 HA LEU p 25 8.723 -5.335 1.238 1.00 0.00 H new ATOM 0 HB2 LEU p 25 6.622 -4.304 0.017 1.00 0.00 H new ATOM 0 HB3 LEU p 25 7.603 -4.504 -1.422 1.00 0.00 H new ATOM 0 HG LEU p 25 6.788 -6.739 0.460 1.00 0.00 H new ATOM 0 HD11 LEU p 25 5.320 -7.381 -1.436 1.00 0.00 H new ATOM 0 HD12 LEU p 25 4.919 -5.758 -0.827 1.00 0.00 H new ATOM 0 HD13 LEU p 25 5.857 -5.938 -2.329 1.00 0.00 H new ATOM 0 HD21 LEU p 25 7.622 -8.237 -1.285 1.00 0.00 H new ATOM 0 HD22 LEU p 25 8.201 -6.835 -2.216 1.00 0.00 H new ATOM 0 HD23 LEU p 25 8.916 -7.206 -0.629 1.00 0.00 H new ATOM 414 N GLU p 26 10.103 -3.789 -1.309 1.00 0.00 N ATOM 415 CA GLU p 26 11.251 -3.618 -2.187 1.00 0.00 C ATOM 416 C GLU p 26 12.430 -3.240 -1.317 1.00 0.00 C ATOM 417 O GLU p 26 13.583 -3.309 -1.706 1.00 0.00 O ATOM 418 CB GLU p 26 10.968 -2.521 -3.203 1.00 0.00 C ATOM 419 CG GLU p 26 9.579 -2.608 -3.806 1.00 0.00 C ATOM 420 CD GLU p 26 9.584 -2.530 -5.321 1.00 0.00 C ATOM 421 OE1 GLU p 26 9.501 -1.406 -5.857 1.00 0.00 O ATOM 422 OE2 GLU p 26 9.672 -3.594 -5.969 1.00 0.00 O ATOM 0 H GLU p 26 9.411 -3.048 -1.423 1.00 0.00 H new ATOM 0 HA GLU p 26 11.461 -4.536 -2.736 1.00 0.00 H new ATOM 0 HB2 GLU p 26 11.088 -1.550 -2.722 1.00 0.00 H new ATOM 0 HB3 GLU p 26 11.708 -2.575 -4.002 1.00 0.00 H new ATOM 0 HG2 GLU p 26 9.113 -3.544 -3.498 1.00 0.00 H new ATOM 0 HG3 GLU p 26 8.965 -1.800 -3.408 1.00 0.00 H new ATOM 429 N LYS p 27 12.079 -2.752 -0.142 1.00 0.00 N ATOM 430 CA LYS p 27 13.068 -2.460 0.903 1.00 0.00 C ATOM 431 C LYS p 27 13.415 -3.783 1.560 1.00 0.00 C ATOM 432 O LYS p 27 14.490 -3.961 2.137 1.00 0.00 O ATOM 433 CB LYS p 27 12.561 -1.471 1.948 1.00 0.00 C ATOM 434 CG LYS p 27 13.092 -0.052 1.772 1.00 0.00 C ATOM 435 CD LYS p 27 14.378 0.173 2.560 1.00 0.00 C ATOM 436 CE LYS p 27 14.902 1.593 2.392 1.00 0.00 C ATOM 437 NZ LYS p 27 14.080 2.589 3.137 1.00 0.00 N ATOM 0 H LYS p 27 11.116 -2.546 0.122 1.00 0.00 H new ATOM 0 HA LYS p 27 13.938 -1.987 0.448 1.00 0.00 H new ATOM 0 HB2 LYS p 27 11.472 -1.447 1.912 1.00 0.00 H new ATOM 0 HB3 LYS p 27 12.839 -1.831 2.939 1.00 0.00 H new ATOM 0 HG2 LYS p 27 13.275 0.139 0.715 1.00 0.00 H new ATOM 0 HG3 LYS p 27 12.336 0.662 2.098 1.00 0.00 H new ATOM 0 HD2 LYS p 27 14.197 -0.025 3.616 1.00 0.00 H new ATOM 0 HD3 LYS p 27 15.136 -0.536 2.228 1.00 0.00 H new ATOM 0 HE2 LYS p 27 15.933 1.642 2.742 1.00 0.00 H new ATOM 0 HE3 LYS p 27 14.912 1.852 1.333 1.00 0.00 H new ATOM 0 HZ1 LYS p 27 14.474 3.541 2.994 1.00 0.00 H new ATOM 0 HZ2 LYS p 27 13.101 2.563 2.787 1.00 0.00 H new ATOM 0 HZ3 LYS p 27 14.091 2.359 4.151 1.00 0.00 H new ATOM 451 N GLU p 28 12.444 -4.702 1.471 1.00 0.00 N ATOM 452 CA GLU p 28 12.623 -6.080 1.963 1.00 0.00 C ATOM 453 C GLU p 28 13.058 -6.963 0.810 1.00 0.00 C ATOM 454 O GLU p 28 13.842 -7.901 0.971 1.00 0.00 O ATOM 455 CB GLU p 28 11.331 -6.667 2.542 1.00 0.00 C ATOM 456 CG GLU p 28 10.662 -5.784 3.559 1.00 0.00 C ATOM 457 CD GLU p 28 10.582 -6.412 4.937 1.00 0.00 C ATOM 458 OE1 GLU p 28 9.579 -7.101 5.218 1.00 0.00 O ATOM 459 OE2 GLU p 28 11.522 -6.214 5.735 1.00 0.00 O ATOM 0 H GLU p 28 11.527 -4.519 1.064 1.00 0.00 H new ATOM 0 HA GLU p 28 13.371 -6.046 2.755 1.00 0.00 H new ATOM 0 HB2 GLU p 28 10.633 -6.858 1.727 1.00 0.00 H new ATOM 0 HB3 GLU p 28 11.555 -7.629 3.002 1.00 0.00 H new ATOM 0 HG2 GLU p 28 11.207 -4.842 3.627 1.00 0.00 H new ATOM 0 HG3 GLU p 28 9.655 -5.545 3.217 1.00 0.00 H new ATOM 466 N LEU p 29 12.501 -6.637 -0.350 1.00 0.00 N ATOM 467 CA LEU p 29 12.762 -7.356 -1.590 1.00 0.00 C ATOM 468 C LEU p 29 14.025 -6.898 -2.298 1.00 0.00 C ATOM 469 O LEU p 29 14.898 -7.712 -2.613 1.00 0.00 O ATOM 470 CB LEU p 29 11.583 -7.175 -2.546 1.00 0.00 C ATOM 471 CG LEU p 29 11.014 -8.432 -3.189 1.00 0.00 C ATOM 472 CD1 LEU p 29 9.864 -8.029 -4.082 1.00 0.00 C ATOM 473 CD2 LEU p 29 12.081 -9.163 -3.987 1.00 0.00 C ATOM 0 H LEU p 29 11.850 -5.859 -0.457 1.00 0.00 H new ATOM 0 HA LEU p 29 12.898 -8.402 -1.315 1.00 0.00 H new ATOM 0 HB2 LEU p 29 10.779 -6.679 -2.002 1.00 0.00 H new ATOM 0 HB3 LEU p 29 11.893 -6.498 -3.342 1.00 0.00 H new ATOM 0 HG LEU p 29 10.663 -9.114 -2.415 1.00 0.00 H new ATOM 0 HD11 LEU p 29 9.441 -8.916 -4.553 1.00 0.00 H new ATOM 0 HD12 LEU p 29 9.097 -7.534 -3.486 1.00 0.00 H new ATOM 0 HD13 LEU p 29 10.223 -7.346 -4.851 1.00 0.00 H new ATOM 0 HD21 LEU p 29 11.650 -10.058 -4.437 1.00 0.00 H new ATOM 0 HD22 LEU p 29 12.460 -8.509 -4.772 1.00 0.00 H new ATOM 0 HD23 LEU p 29 12.899 -9.448 -3.325 1.00 0.00 H new ATOM 485 N GLN p 30 14.111 -5.596 -2.544 1.00 0.00 N ATOM 486 CA GLN p 30 15.257 -5.032 -3.286 1.00 0.00 C ATOM 487 C GLN p 30 16.449 -4.669 -2.391 1.00 0.00 C ATOM 488 O GLN p 30 17.596 -4.999 -2.709 1.00 0.00 O ATOM 489 CB GLN p 30 14.769 -3.833 -4.137 1.00 0.00 C ATOM 490 CG GLN p 30 15.697 -2.623 -4.184 1.00 0.00 C ATOM 491 CD GLN p 30 16.320 -2.414 -5.550 1.00 0.00 C ATOM 492 OE1 GLN p 30 17.395 -2.938 -5.842 1.00 0.00 O ATOM 493 NE2 GLN p 30 15.647 -1.642 -6.395 1.00 0.00 N ATOM 0 H GLN p 30 13.416 -4.910 -2.249 1.00 0.00 H new ATOM 0 HA GLN p 30 15.644 -5.807 -3.947 1.00 0.00 H new ATOM 0 HB2 GLN p 30 14.606 -4.180 -5.157 1.00 0.00 H new ATOM 0 HB3 GLN p 30 13.802 -3.509 -3.752 1.00 0.00 H new ATOM 0 HG2 GLN p 30 15.137 -1.730 -3.904 1.00 0.00 H new ATOM 0 HG3 GLN p 30 16.488 -2.748 -3.444 1.00 0.00 H new ATOM 0 HE21 GLN p 30 14.759 -1.228 -6.111 1.00 0.00 H new ATOM 0 HE22 GLN p 30 16.018 -1.463 -7.328 1.00 0.00 H new ATOM 502 N ALA p 31 16.161 -3.999 -1.289 1.00 0.00 N ATOM 503 CA ALA p 31 17.192 -3.543 -0.335 1.00 0.00 C ATOM 504 C ALA p 31 17.850 -4.684 0.456 1.00 0.00 C ATOM 505 O ALA p 31 19.025 -4.581 0.820 1.00 0.00 O ATOM 506 CB ALA p 31 16.607 -2.521 0.623 1.00 0.00 C ATOM 0 H ALA p 31 15.210 -3.749 -1.018 1.00 0.00 H new ATOM 0 HA ALA p 31 17.980 -3.088 -0.936 1.00 0.00 H new ATOM 0 HB1 ALA p 31 17.378 -2.193 1.321 1.00 0.00 H new ATOM 0 HB2 ALA p 31 16.239 -1.663 0.060 1.00 0.00 H new ATOM 0 HB3 ALA p 31 15.784 -2.971 1.177 1.00 0.00 H new ATOM 512 N TRP p 32 17.097 -5.759 0.718 1.00 0.00 N ATOM 513 CA TRP p 32 17.618 -6.907 1.474 1.00 0.00 C ATOM 514 C TRP p 32 18.268 -7.944 0.547 1.00 0.00 C ATOM 515 O TRP p 32 19.306 -8.518 0.890 1.00 0.00 O ATOM 516 CB TRP p 32 16.497 -7.555 2.296 1.00 0.00 C ATOM 517 CG TRP p 32 16.983 -8.287 3.517 1.00 0.00 C ATOM 518 CD1 TRP p 32 17.217 -7.749 4.750 1.00 0.00 C ATOM 519 CD2 TRP p 32 17.294 -9.686 3.624 1.00 0.00 C ATOM 520 NE1 TRP p 32 17.653 -8.722 5.616 1.00 0.00 N ATOM 521 CE2 TRP p 32 17.708 -9.918 4.950 1.00 0.00 C ATOM 522 CE3 TRP p 32 17.262 -10.765 2.732 1.00 0.00 C ATOM 523 CZ2 TRP p 32 18.086 -11.180 5.403 1.00 0.00 C ATOM 524 CZ3 TRP p 32 17.638 -12.017 3.183 1.00 0.00 C ATOM 525 CH2 TRP p 32 18.045 -12.215 4.509 1.00 0.00 C ATOM 0 H TRP p 32 16.127 -5.859 0.419 1.00 0.00 H new ATOM 0 HA TRP p 32 18.388 -6.538 2.151 1.00 0.00 H new ATOM 0 HB2 TRP p 32 15.792 -6.783 2.604 1.00 0.00 H new ATOM 0 HB3 TRP p 32 15.950 -8.251 1.661 1.00 0.00 H new ATOM 0 HD1 TRP p 32 17.079 -6.709 5.007 1.00 0.00 H new ATOM 0 HE1 TRP p 32 17.896 -8.578 6.596 1.00 0.00 H new ATOM 0 HE3 TRP p 32 16.949 -10.622 1.708 1.00 0.00 H new ATOM 0 HZ2 TRP p 32 18.400 -11.336 6.424 1.00 0.00 H new ATOM 0 HZ3 TRP p 32 17.618 -12.855 2.502 1.00 0.00 H new ATOM 0 HH2 TRP p 32 18.332 -13.205 4.832 1.00 0.00 H new ATOM 536 N ASN p 33 17.651 -8.174 -0.618 1.00 0.00 N ATOM 537 CA ASN p 33 18.167 -9.135 -1.599 1.00 0.00 C ATOM 538 C ASN p 33 19.011 -8.429 -2.657 1.00 0.00 C ATOM 539 O ASN p 33 18.558 -7.464 -3.281 1.00 0.00 O ATOM 540 CB ASN p 33 17.017 -9.897 -2.267 1.00 0.00 C ATOM 541 CG ASN p 33 16.325 -10.859 -1.319 1.00 0.00 C ATOM 542 OD1 ASN p 33 16.706 -12.024 -1.209 1.00 0.00 O ATOM 543 ND2 ASN p 33 15.299 -10.374 -0.629 1.00 0.00 N ATOM 0 H ASN p 33 16.791 -7.706 -0.905 1.00 0.00 H new ATOM 0 HA ASN p 33 18.799 -9.849 -1.070 1.00 0.00 H new ATOM 0 HB2 ASN p 33 16.288 -9.183 -2.651 1.00 0.00 H new ATOM 0 HB3 ASN p 33 17.402 -10.451 -3.123 1.00 0.00 H new ATOM 0 HD21 ASN p 33 14.794 -10.974 0.023 1.00 0.00 H new ATOM 0 HD22 ASN p 33 15.017 -9.402 -0.751 1.00 0.00 H new ATOM 550 N CYS p 34 20.240 -8.921 -2.847 1.00 0.00 N ATOM 551 CA CYS p 34 21.169 -8.348 -3.823 1.00 0.00 C ATOM 552 C CYS p 34 21.277 -9.221 -5.075 1.00 0.00 C ATOM 553 O CYS p 34 21.298 -8.703 -6.195 1.00 0.00 O ATOM 554 CB CYS p 34 22.551 -8.159 -3.192 1.00 0.00 C ATOM 555 SG CYS p 34 22.564 -7.060 -1.757 1.00 0.00 S ATOM 0 H CYS p 34 20.614 -9.719 -2.334 1.00 0.00 H new ATOM 0 HA CYS p 34 20.777 -7.377 -4.125 1.00 0.00 H new ATOM 0 HB2 CYS p 34 22.938 -9.133 -2.893 1.00 0.00 H new ATOM 0 HB3 CYS p 34 23.231 -7.763 -3.946 1.00 0.00 H new ATOM 0 HG CYS p 34 23.775 -6.966 -1.293 1.00 0.00 H new ATOM 561 N ILE p 35 21.347 -10.543 -4.874 1.00 0.00 N ATOM 562 CA ILE p 35 21.459 -11.496 -5.985 1.00 0.00 C ATOM 563 C ILE p 35 20.289 -12.485 -5.996 1.00 0.00 C ATOM 564 O ILE p 35 20.120 -13.270 -5.059 1.00 0.00 O ATOM 565 CB ILE p 35 22.808 -12.278 -5.972 1.00 0.00 C ATOM 566 CG1 ILE p 35 23.158 -12.811 -4.565 1.00 0.00 C ATOM 567 CG2 ILE p 35 23.930 -11.387 -6.497 1.00 0.00 C ATOM 568 CD1 ILE p 35 23.777 -14.196 -4.570 1.00 0.00 C ATOM 0 H ILE p 35 21.328 -10.977 -3.951 1.00 0.00 H new ATOM 0 HA ILE p 35 21.429 -10.898 -6.896 1.00 0.00 H new ATOM 0 HB ILE p 35 22.695 -13.144 -6.625 1.00 0.00 H new ATOM 0 HG12 ILE p 35 23.848 -12.117 -4.085 1.00 0.00 H new ATOM 0 HG13 ILE p 35 22.252 -12.830 -3.959 1.00 0.00 H new ATOM 0 HG21 ILE p 35 24.869 -11.940 -6.485 1.00 0.00 H new ATOM 0 HG22 ILE p 35 23.703 -11.079 -7.518 1.00 0.00 H new ATOM 0 HG23 ILE p 35 24.020 -10.504 -5.864 1.00 0.00 H new ATOM 0 HD11 ILE p 35 23.995 -14.501 -3.546 1.00 0.00 H new ATOM 0 HD12 ILE p 35 23.081 -14.904 -5.019 1.00 0.00 H new ATOM 0 HD13 ILE p 35 24.701 -14.179 -5.148 1.00 0.00 H new ATOM 580 N CYS p 36 19.491 -12.428 -7.069 1.00 0.00 N ATOM 581 CA CYS p 36 18.335 -13.309 -7.235 1.00 0.00 C ATOM 582 C CYS p 36 18.326 -13.926 -8.630 1.00 0.00 C ATOM 583 O CYS p 36 18.467 -13.213 -9.629 1.00 0.00 O ATOM 584 CB CYS p 36 17.034 -12.536 -6.996 1.00 0.00 C ATOM 585 SG CYS p 36 16.898 -11.813 -5.346 1.00 0.00 S ATOM 0 H CYS p 36 19.629 -11.774 -7.840 1.00 0.00 H new ATOM 0 HA CYS p 36 18.409 -14.110 -6.499 1.00 0.00 H new ATOM 0 HB2 CYS p 36 16.955 -11.741 -7.737 1.00 0.00 H new ATOM 0 HB3 CYS p 36 16.190 -13.207 -7.158 1.00 0.00 H new ATOM 0 HG CYS p 36 15.768 -11.180 -5.242 1.00 0.00 H new ATOM 591 N ASP p 37 18.160 -15.251 -8.687 1.00 0.00 N ATOM 592 CA ASP p 37 18.137 -15.979 -9.957 1.00 0.00 C ATOM 593 C ASP p 37 16.781 -16.648 -10.192 1.00 0.00 C ATOM 594 O ASP p 37 16.207 -16.525 -11.278 1.00 0.00 O ATOM 595 CB ASP p 37 19.258 -17.026 -9.998 1.00 0.00 C ATOM 596 CG ASP p 37 20.638 -16.402 -10.092 1.00 0.00 C ATOM 597 OD1 ASP p 37 21.240 -16.131 -9.032 1.00 0.00 O ATOM 598 OD2 ASP p 37 21.116 -16.186 -11.226 1.00 0.00 O ATOM 0 H ASP p 37 18.039 -15.842 -7.864 1.00 0.00 H new ATOM 0 HA ASP p 37 18.300 -15.256 -10.756 1.00 0.00 H new ATOM 0 HB2 ASP p 37 19.204 -17.646 -9.103 1.00 0.00 H new ATOM 0 HB3 ASP p 37 19.103 -17.685 -10.852 1.00 0.00 H new ATOM 603 N ILE p 38 16.276 -17.352 -9.168 1.00 0.00 N ATOM 604 CA ILE p 38 14.985 -18.049 -9.257 1.00 0.00 C ATOM 605 C ILE p 38 14.235 -18.027 -7.922 1.00 0.00 C ATOM 606 O ILE p 38 13.033 -17.746 -7.891 1.00 0.00 O ATOM 607 CB ILE p 38 15.122 -19.520 -9.759 1.00 0.00 C ATOM 608 CG1 ILE p 38 16.418 -20.194 -9.267 1.00 0.00 C ATOM 609 CG2 ILE p 38 15.058 -19.559 -11.277 1.00 0.00 C ATOM 610 CD1 ILE p 38 16.256 -20.976 -7.982 1.00 0.00 C ATOM 0 H ILE p 38 16.743 -17.454 -8.267 1.00 0.00 H new ATOM 0 HA ILE p 38 14.407 -17.498 -9.998 1.00 0.00 H new ATOM 0 HB ILE p 38 14.288 -20.083 -9.339 1.00 0.00 H new ATOM 0 HG12 ILE p 38 16.784 -20.864 -10.044 1.00 0.00 H new ATOM 0 HG13 ILE p 38 17.180 -19.429 -9.121 1.00 0.00 H new ATOM 0 HG21 ILE p 38 15.154 -20.589 -11.619 1.00 0.00 H new ATOM 0 HG22 ILE p 38 14.103 -19.154 -11.611 1.00 0.00 H new ATOM 0 HG23 ILE p 38 15.871 -18.962 -11.691 1.00 0.00 H new ATOM 0 HD11 ILE p 38 17.212 -21.419 -7.703 1.00 0.00 H new ATOM 0 HD12 ILE p 38 15.921 -20.307 -7.189 1.00 0.00 H new ATOM 0 HD13 ILE p 38 15.519 -21.765 -8.127 1.00 0.00 H new ATOM 622 N GLU p 39 14.949 -18.324 -6.831 1.00 0.00 N ATOM 623 CA GLU p 39 14.355 -18.336 -5.492 1.00 0.00 C ATOM 624 C GLU p 39 15.044 -17.328 -4.578 1.00 0.00 C ATOM 625 O GLU p 39 16.241 -17.064 -4.723 1.00 0.00 O ATOM 626 CB GLU p 39 14.436 -19.736 -4.873 1.00 0.00 C ATOM 627 CG GLU p 39 13.526 -20.757 -5.539 1.00 0.00 C ATOM 628 CD GLU p 39 13.457 -22.065 -4.775 1.00 0.00 C ATOM 629 OE1 GLU p 39 12.582 -22.192 -3.893 1.00 0.00 O ATOM 630 OE2 GLU p 39 14.279 -22.962 -5.058 1.00 0.00 O ATOM 0 H GLU p 39 15.941 -18.560 -6.850 1.00 0.00 H new ATOM 0 HA GLU p 39 13.307 -18.055 -5.595 1.00 0.00 H new ATOM 0 HB2 GLU p 39 15.466 -20.089 -4.930 1.00 0.00 H new ATOM 0 HB3 GLU p 39 14.180 -19.671 -3.816 1.00 0.00 H new ATOM 0 HG2 GLU p 39 12.523 -20.340 -5.629 1.00 0.00 H new ATOM 0 HG3 GLU p 39 13.883 -20.950 -6.551 1.00 0.00 H new ATOM 637 N ASN p 40 14.271 -16.773 -3.640 1.00 0.00 N ATOM 638 CA ASN p 40 14.784 -15.788 -2.684 1.00 0.00 C ATOM 639 C ASN p 40 14.583 -16.263 -1.244 1.00 0.00 C ATOM 640 O ASN p 40 13.654 -17.027 -0.959 1.00 0.00 O ATOM 641 CB ASN p 40 14.119 -14.412 -2.901 1.00 0.00 C ATOM 642 CG ASN p 40 12.596 -14.459 -2.930 1.00 0.00 C ATOM 643 OD1 ASN p 40 11.988 -14.630 -3.987 1.00 0.00 O ATOM 644 ND2 ASN p 40 11.976 -14.305 -1.765 1.00 0.00 N ATOM 0 H ASN p 40 13.282 -16.991 -3.522 1.00 0.00 H new ATOM 0 HA ASN p 40 15.855 -15.681 -2.858 1.00 0.00 H new ATOM 0 HB2 ASN p 40 14.437 -13.737 -2.107 1.00 0.00 H new ATOM 0 HB3 ASN p 40 14.478 -13.990 -3.840 1.00 0.00 H new ATOM 0 HD21 ASN p 40 10.957 -14.326 -1.723 1.00 0.00 H new ATOM 0 HD22 ASN p 40 12.519 -14.166 -0.913 1.00 0.00 H new ATOM 651 N CYS p 41 15.462 -15.803 -0.346 1.00 0.00 N ATOM 652 CA CYS p 41 15.399 -16.170 1.068 1.00 0.00 C ATOM 653 C CYS p 41 14.696 -15.087 1.882 1.00 0.00 C ATOM 654 O CYS p 41 15.042 -13.905 1.787 1.00 0.00 O ATOM 655 CB CYS p 41 16.810 -16.409 1.615 1.00 0.00 C ATOM 656 SG CYS p 41 16.852 -17.048 3.307 1.00 0.00 S ATOM 0 H CYS p 41 16.229 -15.172 -0.579 1.00 0.00 H new ATOM 0 HA CYS p 41 14.823 -17.091 1.156 1.00 0.00 H new ATOM 0 HB2 CYS p 41 17.327 -17.111 0.961 1.00 0.00 H new ATOM 0 HB3 CYS p 41 17.365 -15.472 1.579 1.00 0.00 H new ATOM 0 HG CYS p 41 18.087 -17.218 3.676 1.00 0.00 H new ATOM 662 N SER p 42 13.708 -15.506 2.679 1.00 0.00 N ATOM 663 CA SER p 42 12.940 -14.589 3.522 1.00 0.00 C ATOM 664 C SER p 42 13.211 -14.849 5.002 1.00 0.00 C ATOM 665 O SER p 42 13.512 -15.980 5.395 1.00 0.00 O ATOM 666 CB SER p 42 11.442 -14.726 3.227 1.00 0.00 C ATOM 667 OG SER p 42 11.016 -16.074 3.343 1.00 0.00 O ATOM 0 H SER p 42 13.421 -16.482 2.757 1.00 0.00 H new ATOM 0 HA SER p 42 13.256 -13.571 3.292 1.00 0.00 H new ATOM 0 HB2 SER p 42 10.874 -14.102 3.918 1.00 0.00 H new ATOM 0 HB3 SER p 42 11.232 -14.361 2.222 1.00 0.00 H new ATOM 0 HG SER p 42 10.057 -16.132 3.151 1.00 0.00 H new ATOM 673 N ASN p 43 13.096 -13.791 5.812 1.00 0.00 N ATOM 674 CA ASN p 43 13.325 -13.884 7.255 1.00 0.00 C ATOM 675 C ASN p 43 11.999 -14.022 8.012 1.00 0.00 C ATOM 676 O ASN p 43 11.878 -14.866 8.906 1.00 0.00 O ATOM 677 CB ASN p 43 14.099 -12.652 7.747 1.00 0.00 C ATOM 678 CG ASN p 43 14.893 -12.923 9.013 1.00 0.00 C ATOM 679 OD1 ASN p 43 14.394 -12.745 10.124 1.00 0.00 O ATOM 680 ND2 ASN p 43 16.139 -13.355 8.850 1.00 0.00 N ATOM 0 H ASN p 43 12.844 -12.857 5.489 1.00 0.00 H new ATOM 0 HA ASN p 43 13.920 -14.776 7.452 1.00 0.00 H new ATOM 0 HB2 ASN p 43 14.778 -12.318 6.962 1.00 0.00 H new ATOM 0 HB3 ASN p 43 13.398 -11.838 7.930 1.00 0.00 H new ATOM 0 HD21 ASN p 43 16.721 -13.553 9.664 1.00 0.00 H new ATOM 0 HD22 ASN p 43 16.514 -13.489 7.911 1.00 0.00 H new ATOM 687 N MET p 44 11.012 -13.191 7.646 1.00 0.00 N ATOM 688 CA MET p 44 9.693 -13.213 8.283 1.00 0.00 C ATOM 689 C MET p 44 8.582 -13.181 7.236 1.00 0.00 C ATOM 690 O MET p 44 8.508 -12.254 6.422 1.00 0.00 O ATOM 691 CB MET p 44 9.537 -12.032 9.252 1.00 0.00 C ATOM 692 CG MET p 44 10.337 -12.182 10.537 1.00 0.00 C ATOM 693 SD MET p 44 10.126 -10.783 11.655 1.00 0.00 S ATOM 694 CE MET p 44 11.164 -11.284 13.025 1.00 0.00 C ATOM 0 H MET p 44 11.106 -12.493 6.908 1.00 0.00 H new ATOM 0 HA MET p 44 9.611 -14.142 8.848 1.00 0.00 H new ATOM 0 HB2 MET p 44 9.846 -11.117 8.747 1.00 0.00 H new ATOM 0 HB3 MET p 44 8.483 -11.917 9.503 1.00 0.00 H new ATOM 0 HG2 MET p 44 10.033 -13.097 11.045 1.00 0.00 H new ATOM 0 HG3 MET p 44 11.394 -12.290 10.292 1.00 0.00 H new ATOM 0 HE1 MET p 44 11.138 -10.518 13.800 1.00 0.00 H new ATOM 0 HE2 MET p 44 10.798 -12.226 13.433 1.00 0.00 H new ATOM 0 HE3 MET p 44 12.189 -11.413 12.677 1.00 0.00 H new ATOM 704 N ALA p 45 7.726 -14.208 7.265 1.00 0.00 N ATOM 705 CA ALA p 45 6.603 -14.323 6.333 1.00 0.00 C ATOM 706 C ALA p 45 5.307 -14.691 7.081 1.00 0.00 C ATOM 707 O ALA p 45 5.177 -15.825 7.559 1.00 0.00 O ATOM 708 CB ALA p 45 6.914 -15.356 5.252 1.00 0.00 C ATOM 0 H ALA p 45 7.792 -14.977 7.931 1.00 0.00 H new ATOM 0 HA ALA p 45 6.453 -13.355 5.854 1.00 0.00 H new ATOM 0 HB1 ALA p 45 6.070 -15.431 4.566 1.00 0.00 H new ATOM 0 HB2 ALA p 45 7.803 -15.050 4.701 1.00 0.00 H new ATOM 0 HB3 ALA p 45 7.091 -16.326 5.716 1.00 0.00 H new ATOM 714 N PRO p 46 4.322 -13.741 7.218 1.00 0.00 N ATOM 715 CA PRO p 46 3.044 -14.013 7.917 1.00 0.00 C ATOM 716 C PRO p 46 2.197 -15.101 7.228 1.00 0.00 C ATOM 717 O PRO p 46 2.166 -16.245 7.693 1.00 0.00 O ATOM 718 CB PRO p 46 2.317 -12.654 7.902 1.00 0.00 C ATOM 719 CG PRO p 46 3.370 -11.642 7.615 1.00 0.00 C ATOM 720 CD PRO p 46 4.379 -12.335 6.746 1.00 0.00 C ATOM 0 HA PRO p 46 3.216 -14.402 8.921 1.00 0.00 H new ATOM 0 HB2 PRO p 46 1.537 -12.635 7.141 1.00 0.00 H new ATOM 0 HB3 PRO p 46 1.834 -12.457 8.859 1.00 0.00 H new ATOM 0 HG2 PRO p 46 2.949 -10.773 7.109 1.00 0.00 H new ATOM 0 HG3 PRO p 46 3.829 -11.283 8.536 1.00 0.00 H new ATOM 0 HD2 PRO p 46 4.124 -12.254 5.689 1.00 0.00 H new ATOM 0 HD3 PRO p 46 5.375 -11.909 6.867 1.00 0.00 H new ATOM 728 N LEU p 47 1.520 -14.738 6.128 1.00 0.00 N ATOM 729 CA LEU p 47 0.681 -15.680 5.379 1.00 0.00 C ATOM 730 C LEU p 47 0.945 -15.596 3.878 1.00 0.00 C ATOM 731 O LEU p 47 0.817 -16.591 3.160 1.00 0.00 O ATOM 732 CB LEU p 47 -0.823 -15.428 5.649 1.00 0.00 C ATOM 733 CG LEU p 47 -1.354 -15.639 7.093 1.00 0.00 C ATOM 734 CD1 LEU p 47 -0.856 -16.942 7.717 1.00 0.00 C ATOM 735 CD2 LEU p 47 -1.015 -14.449 7.986 1.00 0.00 C ATOM 0 H LEU p 47 1.539 -13.796 5.738 1.00 0.00 H new ATOM 0 HA LEU p 47 0.944 -16.679 5.726 1.00 0.00 H new ATOM 0 HB2 LEU p 47 -1.046 -14.401 5.359 1.00 0.00 H new ATOM 0 HB3 LEU p 47 -1.394 -16.078 4.986 1.00 0.00 H new ATOM 0 HG LEU p 47 -2.439 -15.716 7.015 1.00 0.00 H new ATOM 0 HD11 LEU p 47 -1.257 -17.039 8.726 1.00 0.00 H new ATOM 0 HD12 LEU p 47 -1.188 -17.785 7.112 1.00 0.00 H new ATOM 0 HD13 LEU p 47 0.233 -16.932 7.759 1.00 0.00 H new ATOM 0 HD21 LEU p 47 -1.400 -14.626 8.990 1.00 0.00 H new ATOM 0 HD22 LEU p 47 0.067 -14.323 8.029 1.00 0.00 H new ATOM 0 HD23 LEU p 47 -1.470 -13.546 7.578 1.00 0.00 H new ATOM 747 N TYR p 48 1.314 -14.400 3.427 1.00 0.00 N ATOM 748 CA TYR p 48 1.596 -14.130 2.025 1.00 0.00 C ATOM 749 C TYR p 48 3.065 -14.357 1.683 1.00 0.00 C ATOM 750 O TYR p 48 3.956 -13.936 2.426 1.00 0.00 O ATOM 751 CB TYR p 48 1.195 -12.692 1.677 1.00 0.00 C ATOM 752 CG TYR p 48 1.445 -11.669 2.772 1.00 0.00 C ATOM 753 CD1 TYR p 48 0.472 -11.389 3.723 1.00 0.00 C ATOM 754 CD2 TYR p 48 2.653 -10.988 2.848 1.00 0.00 C ATOM 755 CE1 TYR p 48 0.696 -10.458 4.719 1.00 0.00 C ATOM 756 CE2 TYR p 48 2.885 -10.056 3.842 1.00 0.00 C ATOM 757 CZ TYR p 48 1.903 -9.795 4.775 1.00 0.00 C ATOM 758 OH TYR p 48 2.131 -8.868 5.766 1.00 0.00 O ATOM 0 H TYR p 48 1.426 -13.586 4.031 1.00 0.00 H new ATOM 0 HA TYR p 48 1.008 -14.830 1.432 1.00 0.00 H new ATOM 0 HB2 TYR p 48 1.740 -12.386 0.784 1.00 0.00 H new ATOM 0 HB3 TYR p 48 0.135 -12.678 1.424 1.00 0.00 H new ATOM 0 HD1 TYR p 48 -0.475 -11.907 3.683 1.00 0.00 H new ATOM 0 HD2 TYR p 48 3.424 -11.190 2.119 1.00 0.00 H new ATOM 0 HE1 TYR p 48 -0.071 -10.251 5.450 1.00 0.00 H new ATOM 0 HE2 TYR p 48 3.830 -9.535 3.888 1.00 0.00 H new ATOM 0 HH TYR p 48 3.031 -8.494 5.663 1.00 0.00 H new ATOM 768 N SER p 49 3.302 -15.031 0.546 1.00 0.00 N ATOM 769 CA SER p 49 4.660 -15.324 0.082 1.00 0.00 C ATOM 770 C SER p 49 4.773 -15.197 -1.449 1.00 0.00 C ATOM 771 O SER p 49 5.268 -14.182 -1.947 1.00 0.00 O ATOM 772 CB SER p 49 5.102 -16.724 0.554 1.00 0.00 C ATOM 773 OG SER p 49 6.477 -16.946 0.292 1.00 0.00 O ATOM 0 H SER p 49 2.566 -15.382 -0.067 1.00 0.00 H new ATOM 0 HA SER p 49 5.330 -14.585 0.521 1.00 0.00 H new ATOM 0 HB2 SER p 49 4.912 -16.827 1.622 1.00 0.00 H new ATOM 0 HB3 SER p 49 4.506 -17.485 0.050 1.00 0.00 H new ATOM 0 HG SER p 49 6.729 -17.840 0.603 1.00 0.00 H new ATOM 779 N ASP p 50 4.318 -16.224 -2.186 1.00 0.00 N ATOM 780 CA ASP p 50 4.401 -16.230 -3.652 1.00 0.00 C ATOM 781 C ASP p 50 3.086 -15.811 -4.329 1.00 0.00 C ATOM 782 O ASP p 50 3.035 -14.774 -4.997 1.00 0.00 O ATOM 783 CB ASP p 50 4.847 -17.611 -4.155 1.00 0.00 C ATOM 784 CG ASP p 50 6.298 -17.913 -3.827 1.00 0.00 C ATOM 785 OD1 ASP p 50 6.557 -18.475 -2.742 1.00 0.00 O ATOM 786 OD2 ASP p 50 7.174 -17.584 -4.654 1.00 0.00 O ATOM 0 H ASP p 50 3.889 -17.060 -1.788 1.00 0.00 H new ATOM 0 HA ASP p 50 5.146 -15.484 -3.928 1.00 0.00 H new ATOM 0 HB2 ASP p 50 4.211 -18.377 -3.712 1.00 0.00 H new ATOM 0 HB3 ASP p 50 4.704 -17.664 -5.234 1.00 0.00 H new ATOM 791 N GLN p 51 2.032 -16.623 -4.150 1.00 0.00 N ATOM 792 CA GLN p 51 0.722 -16.375 -4.775 1.00 0.00 C ATOM 793 C GLN p 51 -0.227 -15.557 -3.889 1.00 0.00 C ATOM 794 O GLN p 51 -1.292 -15.143 -4.346 1.00 0.00 O ATOM 795 CB GLN p 51 0.059 -17.707 -5.149 1.00 0.00 C ATOM 796 CG GLN p 51 0.692 -18.393 -6.351 1.00 0.00 C ATOM 797 CD GLN p 51 0.016 -19.707 -6.693 1.00 0.00 C ATOM 798 OE1 GLN p 51 0.400 -20.765 -6.191 1.00 0.00 O ATOM 799 NE2 GLN p 51 -0.995 -19.647 -7.551 1.00 0.00 N ATOM 0 H GLN p 51 2.062 -17.463 -3.573 1.00 0.00 H new ATOM 0 HA GLN p 51 0.912 -15.781 -5.669 1.00 0.00 H new ATOM 0 HB2 GLN p 51 0.107 -18.379 -4.292 1.00 0.00 H new ATOM 0 HB3 GLN p 51 -0.996 -17.531 -5.357 1.00 0.00 H new ATOM 0 HG2 GLN p 51 0.642 -17.728 -7.213 1.00 0.00 H new ATOM 0 HG3 GLN p 51 1.748 -18.573 -6.148 1.00 0.00 H new ATOM 0 HE21 GLN p 51 -1.279 -18.749 -7.942 1.00 0.00 H new ATOM 0 HE22 GLN p 51 -1.488 -20.499 -7.819 1.00 0.00 H new ATOM 808 N ALA p 52 0.154 -15.343 -2.630 1.00 0.00 N ATOM 809 CA ALA p 52 -0.670 -14.587 -1.678 1.00 0.00 C ATOM 810 C ALA p 52 -0.145 -13.158 -1.453 1.00 0.00 C ATOM 811 O ALA p 52 -0.776 -12.367 -0.760 1.00 0.00 O ATOM 812 CB ALA p 52 -0.756 -15.347 -0.362 1.00 0.00 C ATOM 0 H ALA p 52 1.033 -15.684 -2.241 1.00 0.00 H new ATOM 0 HA ALA p 52 -1.668 -14.486 -2.106 1.00 0.00 H new ATOM 0 HB1 ALA p 52 -1.368 -14.785 0.344 1.00 0.00 H new ATOM 0 HB2 ALA p 52 -1.207 -16.324 -0.535 1.00 0.00 H new ATOM 0 HB3 ALA p 52 0.245 -15.477 0.049 1.00 0.00 H new ATOM 818 N LEU p 53 1.022 -12.854 -2.029 1.00 0.00 N ATOM 819 CA LEU p 53 1.680 -11.570 -1.908 1.00 0.00 C ATOM 820 C LEU p 53 1.319 -10.681 -3.088 1.00 0.00 C ATOM 821 O LEU p 53 0.609 -9.688 -2.941 1.00 0.00 O ATOM 822 CB LEU p 53 3.190 -11.810 -1.835 1.00 0.00 C ATOM 823 CG LEU p 53 3.992 -10.804 -1.028 1.00 0.00 C ATOM 824 CD1 LEU p 53 5.285 -11.449 -0.587 1.00 0.00 C ATOM 825 CD2 LEU p 53 4.266 -9.568 -1.862 1.00 0.00 C ATOM 0 H LEU p 53 1.540 -13.518 -2.605 1.00 0.00 H new ATOM 0 HA LEU p 53 1.352 -11.058 -1.003 1.00 0.00 H new ATOM 0 HB2 LEU p 53 3.359 -12.800 -1.413 1.00 0.00 H new ATOM 0 HB3 LEU p 53 3.584 -11.825 -2.851 1.00 0.00 H new ATOM 0 HG LEU p 53 3.425 -10.499 -0.148 1.00 0.00 H new ATOM 0 HD11 LEU p 53 5.869 -10.734 -0.006 1.00 0.00 H new ATOM 0 HD12 LEU p 53 5.065 -12.322 0.027 1.00 0.00 H new ATOM 0 HD13 LEU p 53 5.856 -11.756 -1.463 1.00 0.00 H new ATOM 0 HD21 LEU p 53 4.842 -8.853 -1.274 1.00 0.00 H new ATOM 0 HD22 LEU p 53 4.832 -9.847 -2.751 1.00 0.00 H new ATOM 0 HD23 LEU p 53 3.321 -9.114 -2.162 1.00 0.00 H new ATOM 837 N LYS p 54 1.806 -11.083 -4.267 1.00 0.00 N ATOM 838 CA LYS p 54 1.555 -10.378 -5.543 1.00 0.00 C ATOM 839 C LYS p 54 0.052 -10.297 -5.857 1.00 0.00 C ATOM 840 O LYS p 54 -0.369 -9.558 -6.745 1.00 0.00 O ATOM 841 CB LYS p 54 2.284 -11.083 -6.692 1.00 0.00 C ATOM 842 CG LYS p 54 3.794 -10.887 -6.678 1.00 0.00 C ATOM 843 CD LYS p 54 4.460 -11.609 -7.840 1.00 0.00 C ATOM 844 CE LYS p 54 5.970 -11.414 -7.836 1.00 0.00 C ATOM 845 NZ LYS p 54 6.363 -10.039 -8.258 1.00 0.00 N ATOM 0 H LYS p 54 2.391 -11.912 -4.371 1.00 0.00 H new ATOM 0 HA LYS p 54 1.937 -9.362 -5.438 1.00 0.00 H new ATOM 0 HB2 LYS p 54 2.066 -12.150 -6.647 1.00 0.00 H new ATOM 0 HB3 LYS p 54 1.889 -10.716 -7.639 1.00 0.00 H new ATOM 0 HG2 LYS p 54 4.024 -9.823 -6.729 1.00 0.00 H new ATOM 0 HG3 LYS p 54 4.201 -11.257 -5.737 1.00 0.00 H new ATOM 0 HD2 LYS p 54 4.231 -12.673 -7.786 1.00 0.00 H new ATOM 0 HD3 LYS p 54 4.049 -11.242 -8.780 1.00 0.00 H new ATOM 0 HE2 LYS p 54 6.357 -11.609 -6.836 1.00 0.00 H new ATOM 0 HE3 LYS p 54 6.430 -12.142 -8.504 1.00 0.00 H new ATOM 0 HZ1 LYS p 54 7.399 -9.953 -8.240 1.00 0.00 H new ATOM 0 HZ2 LYS p 54 6.018 -9.860 -9.222 1.00 0.00 H new ATOM 0 HZ3 LYS p 54 5.947 -9.344 -7.606 1.00 0.00 H new ATOM 859 N LYS p 55 -0.722 -11.085 -5.105 1.00 0.00 N ATOM 860 CA LYS p 55 -2.163 -11.163 -5.205 1.00 0.00 C ATOM 861 C LYS p 55 -2.789 -10.250 -4.174 1.00 0.00 C ATOM 862 O LYS p 55 -3.778 -9.577 -4.454 1.00 0.00 O ATOM 863 CB LYS p 55 -2.631 -12.600 -5.008 1.00 0.00 C ATOM 864 CG LYS p 55 -2.830 -13.370 -6.308 1.00 0.00 C ATOM 865 CD LYS p 55 -4.258 -13.249 -6.826 1.00 0.00 C ATOM 866 CE LYS p 55 -4.446 -14.018 -8.123 1.00 0.00 C ATOM 867 NZ LYS p 55 -5.840 -13.910 -8.636 1.00 0.00 N ATOM 0 H LYS p 55 -0.339 -11.703 -4.389 1.00 0.00 H new ATOM 0 HA LYS p 55 -2.474 -10.841 -6.199 1.00 0.00 H new ATOM 0 HB2 LYS p 55 -1.902 -13.128 -4.393 1.00 0.00 H new ATOM 0 HB3 LYS p 55 -3.570 -12.593 -4.454 1.00 0.00 H new ATOM 0 HG2 LYS p 55 -2.137 -12.996 -7.062 1.00 0.00 H new ATOM 0 HG3 LYS p 55 -2.589 -14.421 -6.148 1.00 0.00 H new ATOM 0 HD2 LYS p 55 -4.952 -13.625 -6.075 1.00 0.00 H new ATOM 0 HD3 LYS p 55 -4.500 -12.198 -6.986 1.00 0.00 H new ATOM 0 HE2 LYS p 55 -3.753 -13.639 -8.874 1.00 0.00 H new ATOM 0 HE3 LYS p 55 -4.199 -15.067 -7.962 1.00 0.00 H new ATOM 0 HZ1 LYS p 55 -5.927 -14.448 -9.522 1.00 0.00 H new ATOM 0 HZ2 LYS p 55 -6.500 -14.295 -7.931 1.00 0.00 H new ATOM 0 HZ3 LYS p 55 -6.068 -12.911 -8.814 1.00 0.00 H new ATOM 881 N LYS p 56 -2.193 -10.243 -2.966 1.00 0.00 N ATOM 882 CA LYS p 56 -2.656 -9.352 -1.870 1.00 0.00 C ATOM 883 C LYS p 56 -2.213 -7.911 -2.153 1.00 0.00 C ATOM 884 O LYS p 56 -2.661 -6.956 -1.516 1.00 0.00 O ATOM 885 CB LYS p 56 -2.120 -9.799 -0.513 1.00 0.00 C ATOM 886 CG LYS p 56 -3.052 -10.744 0.228 1.00 0.00 C ATOM 887 CD LYS p 56 -2.655 -10.887 1.689 1.00 0.00 C ATOM 888 CE LYS p 56 -3.566 -11.860 2.420 1.00 0.00 C ATOM 889 NZ LYS p 56 -3.187 -12.005 3.853 1.00 0.00 N ATOM 0 H LYS p 56 -1.399 -10.834 -2.720 1.00 0.00 H new ATOM 0 HA LYS p 56 -3.744 -9.406 -1.833 1.00 0.00 H new ATOM 0 HB2 LYS p 56 -1.157 -10.289 -0.656 1.00 0.00 H new ATOM 0 HB3 LYS p 56 -1.941 -8.919 0.105 1.00 0.00 H new ATOM 0 HG2 LYS p 56 -4.075 -10.373 0.163 1.00 0.00 H new ATOM 0 HG3 LYS p 56 -3.036 -11.723 -0.252 1.00 0.00 H new ATOM 0 HD2 LYS p 56 -1.623 -11.233 1.755 1.00 0.00 H new ATOM 0 HD3 LYS p 56 -2.696 -9.913 2.176 1.00 0.00 H new ATOM 0 HE2 LYS p 56 -4.597 -11.514 2.350 1.00 0.00 H new ATOM 0 HE3 LYS p 56 -3.523 -12.834 1.933 1.00 0.00 H new ATOM 0 HZ1 LYS p 56 -3.962 -12.464 4.372 1.00 0.00 H new ATOM 0 HZ2 LYS p 56 -2.328 -12.587 3.928 1.00 0.00 H new ATOM 0 HZ3 LYS p 56 -3.005 -11.066 4.261 1.00 0.00 H new ATOM 903 N LEU p 57 -1.317 -7.821 -3.133 1.00 0.00 N ATOM 904 CA LEU p 57 -0.740 -6.595 -3.648 1.00 0.00 C ATOM 905 C LEU p 57 -1.583 -6.168 -4.813 1.00 0.00 C ATOM 906 O LEU p 57 -1.911 -4.995 -4.987 1.00 0.00 O ATOM 907 CB LEU p 57 0.681 -6.857 -4.131 1.00 0.00 C ATOM 908 CG LEU p 57 1.818 -6.431 -3.211 1.00 0.00 C ATOM 909 CD1 LEU p 57 1.750 -7.158 -1.875 1.00 0.00 C ATOM 910 CD2 LEU p 57 3.122 -6.719 -3.917 1.00 0.00 C ATOM 0 H LEU p 57 -0.959 -8.648 -3.610 1.00 0.00 H new ATOM 0 HA LEU p 57 -0.711 -5.827 -2.875 1.00 0.00 H new ATOM 0 HB2 LEU p 57 0.782 -7.926 -4.320 1.00 0.00 H new ATOM 0 HB3 LEU p 57 0.812 -6.350 -5.087 1.00 0.00 H new ATOM 0 HG LEU p 57 1.737 -5.366 -2.993 1.00 0.00 H new ATOM 0 HD11 LEU p 57 2.575 -6.832 -1.241 1.00 0.00 H new ATOM 0 HD12 LEU p 57 0.804 -6.930 -1.385 1.00 0.00 H new ATOM 0 HD13 LEU p 57 1.823 -8.233 -2.041 1.00 0.00 H new ATOM 0 HD21 LEU p 57 3.954 -6.423 -3.279 1.00 0.00 H new ATOM 0 HD22 LEU p 57 3.191 -7.785 -4.132 1.00 0.00 H new ATOM 0 HD23 LEU p 57 3.162 -6.157 -4.850 1.00 0.00 H new ATOM 922 N ALA p 58 -1.901 -7.182 -5.629 1.00 0.00 N ATOM 923 CA ALA p 58 -2.791 -7.003 -6.795 1.00 0.00 C ATOM 924 C ALA p 58 -4.216 -6.695 -6.321 1.00 0.00 C ATOM 925 O ALA p 58 -5.055 -6.215 -7.086 1.00 0.00 O ATOM 926 CB ALA p 58 -2.787 -8.227 -7.696 1.00 0.00 C ATOM 0 H ALA p 58 -1.558 -8.135 -5.507 1.00 0.00 H new ATOM 0 HA ALA p 58 -2.415 -6.163 -7.380 1.00 0.00 H new ATOM 0 HB1 ALA p 58 -3.453 -8.058 -8.542 1.00 0.00 H new ATOM 0 HB2 ALA p 58 -1.776 -8.407 -8.060 1.00 0.00 H new ATOM 0 HB3 ALA p 58 -3.130 -9.095 -7.132 1.00 0.00 H new ATOM 932 N GLN p 59 -4.451 -6.998 -5.038 1.00 0.00 N ATOM 933 CA GLN p 59 -5.692 -6.750 -4.352 1.00 0.00 C ATOM 934 C GLN p 59 -5.567 -5.413 -3.624 1.00 0.00 C ATOM 935 O GLN p 59 -6.555 -4.745 -3.359 1.00 0.00 O ATOM 936 CB GLN p 59 -5.927 -7.906 -3.374 1.00 0.00 C ATOM 937 CG GLN p 59 -6.886 -7.597 -2.250 1.00 0.00 C ATOM 938 CD GLN p 59 -8.062 -8.552 -2.192 1.00 0.00 C ATOM 939 OE1 GLN p 59 -9.100 -8.315 -2.810 1.00 0.00 O ATOM 940 NE2 GLN p 59 -7.906 -9.639 -1.445 1.00 0.00 N ATOM 0 H GLN p 59 -3.748 -7.437 -4.443 1.00 0.00 H new ATOM 0 HA GLN p 59 -6.539 -6.695 -5.036 1.00 0.00 H new ATOM 0 HB2 GLN p 59 -6.305 -8.763 -3.931 1.00 0.00 H new ATOM 0 HB3 GLN p 59 -4.969 -8.202 -2.945 1.00 0.00 H new ATOM 0 HG2 GLN p 59 -6.349 -7.633 -1.302 1.00 0.00 H new ATOM 0 HG3 GLN p 59 -7.258 -6.579 -2.367 1.00 0.00 H new ATOM 0 HE21 GLN p 59 -7.028 -9.796 -0.950 1.00 0.00 H new ATOM 0 HE22 GLN p 59 -8.664 -10.317 -1.367 1.00 0.00 H new ATOM 949 N LEU p 60 -4.311 -5.079 -3.307 1.00 0.00 N ATOM 950 CA LEU p 60 -3.911 -3.841 -2.631 1.00 0.00 C ATOM 951 C LEU p 60 -3.983 -2.658 -3.595 1.00 0.00 C ATOM 952 O LEU p 60 -4.345 -1.550 -3.226 1.00 0.00 O ATOM 953 CB LEU p 60 -2.470 -4.020 -2.133 1.00 0.00 C ATOM 954 CG LEU p 60 -1.762 -2.782 -1.589 1.00 0.00 C ATOM 955 CD1 LEU p 60 -2.512 -2.229 -0.399 1.00 0.00 C ATOM 956 CD2 LEU p 60 -0.333 -3.133 -1.234 1.00 0.00 C ATOM 0 H LEU p 60 -3.518 -5.684 -3.522 1.00 0.00 H new ATOM 0 HA LEU p 60 -4.583 -3.638 -1.797 1.00 0.00 H new ATOM 0 HB2 LEU p 60 -2.475 -4.778 -1.350 1.00 0.00 H new ATOM 0 HB3 LEU p 60 -1.875 -4.416 -2.956 1.00 0.00 H new ATOM 0 HG LEU p 60 -1.744 -2.005 -2.353 1.00 0.00 H new ATOM 0 HD11 LEU p 60 -1.996 -1.346 -0.022 1.00 0.00 H new ATOM 0 HD12 LEU p 60 -3.523 -1.956 -0.701 1.00 0.00 H new ATOM 0 HD13 LEU p 60 -2.559 -2.985 0.385 1.00 0.00 H new ATOM 0 HD21 LEU p 60 0.173 -2.249 -0.845 1.00 0.00 H new ATOM 0 HD22 LEU p 60 -0.328 -3.916 -0.476 1.00 0.00 H new ATOM 0 HD23 LEU p 60 0.187 -3.487 -2.124 1.00 0.00 H new ATOM 968 N LYS p 61 -3.555 -2.961 -4.807 1.00 0.00 N ATOM 969 CA LYS p 61 -3.536 -2.080 -5.965 1.00 0.00 C ATOM 970 C LYS p 61 -4.955 -1.952 -6.476 1.00 0.00 C ATOM 971 O LYS p 61 -5.361 -0.920 -7.019 1.00 0.00 O ATOM 972 CB LYS p 61 -2.624 -2.685 -7.039 1.00 0.00 C ATOM 973 CG LYS p 61 -1.488 -1.777 -7.482 1.00 0.00 C ATOM 974 CD LYS p 61 -1.870 -0.949 -8.701 1.00 0.00 C ATOM 975 CE LYS p 61 -0.727 -0.051 -9.145 1.00 0.00 C ATOM 976 NZ LYS p 61 -1.094 0.769 -10.332 1.00 0.00 N ATOM 0 H LYS p 61 -3.188 -3.887 -5.025 1.00 0.00 H new ATOM 0 HA LYS p 61 -3.153 -1.094 -5.704 1.00 0.00 H new ATOM 0 HB2 LYS p 61 -2.202 -3.615 -6.658 1.00 0.00 H new ATOM 0 HB3 LYS p 61 -3.228 -2.942 -7.909 1.00 0.00 H new ATOM 0 HG2 LYS p 61 -1.213 -1.113 -6.663 1.00 0.00 H new ATOM 0 HG3 LYS p 61 -0.609 -2.380 -7.712 1.00 0.00 H new ATOM 0 HD2 LYS p 61 -2.152 -1.612 -9.519 1.00 0.00 H new ATOM 0 HD3 LYS p 61 -2.744 -0.340 -8.469 1.00 0.00 H new ATOM 0 HE2 LYS p 61 -0.442 0.606 -8.324 1.00 0.00 H new ATOM 0 HE3 LYS p 61 0.144 -0.662 -9.381 1.00 0.00 H new ATOM 0 HZ1 LYS p 61 -0.288 1.367 -10.603 1.00 0.00 H new ATOM 0 HZ2 LYS p 61 -1.342 0.142 -11.124 1.00 0.00 H new ATOM 0 HZ3 LYS p 61 -1.909 1.371 -10.099 1.00 0.00 H new ATOM 990 N TRP p 62 -5.689 -3.050 -6.276 1.00 0.00 N ATOM 991 CA TRP p 62 -7.106 -3.130 -6.588 1.00 0.00 C ATOM 992 C TRP p 62 -7.824 -2.387 -5.483 1.00 0.00 C ATOM 993 O TRP p 62 -8.886 -1.793 -5.687 1.00 0.00 O ATOM 994 CB TRP p 62 -7.574 -4.582 -6.653 1.00 0.00 C ATOM 995 CG TRP p 62 -8.503 -4.860 -7.799 1.00 0.00 C ATOM 996 CD1 TRP p 62 -8.154 -5.301 -9.042 1.00 0.00 C ATOM 997 CD2 TRP p 62 -9.933 -4.719 -7.810 1.00 0.00 C ATOM 998 NE1 TRP p 62 -9.272 -5.443 -9.827 1.00 0.00 N ATOM 999 CE2 TRP p 62 -10.376 -5.093 -9.094 1.00 0.00 C ATOM 1000 CE3 TRP p 62 -10.883 -4.316 -6.864 1.00 0.00 C ATOM 1001 CZ2 TRP p 62 -11.722 -5.074 -9.454 1.00 0.00 C ATOM 1002 CZ3 TRP p 62 -12.217 -4.297 -7.223 1.00 0.00 C ATOM 1003 CH2 TRP p 62 -12.626 -4.675 -8.509 1.00 0.00 C ATOM 0 H TRP p 62 -5.306 -3.913 -5.889 1.00 0.00 H new ATOM 0 HA TRP p 62 -7.316 -2.692 -7.564 1.00 0.00 H new ATOM 0 HB2 TRP p 62 -6.704 -5.233 -6.735 1.00 0.00 H new ATOM 0 HB3 TRP p 62 -8.075 -4.836 -5.719 1.00 0.00 H new ATOM 0 HD1 TRP p 62 -7.144 -5.509 -9.363 1.00 0.00 H new ATOM 0 HE1 TRP p 62 -9.279 -5.758 -10.797 1.00 0.00 H new ATOM 0 HE3 TRP p 62 -10.578 -4.025 -5.870 1.00 0.00 H new ATOM 0 HZ2 TRP p 62 -12.040 -5.364 -10.445 1.00 0.00 H new ATOM 0 HZ3 TRP p 62 -12.957 -3.986 -6.501 1.00 0.00 H new ATOM 0 HH2 TRP p 62 -13.676 -4.651 -8.759 1.00 0.00 H new ATOM 1014 N LYS p 63 -7.194 -2.448 -4.298 1.00 0.00 N ATOM 1015 CA LYS p 63 -7.670 -1.720 -3.120 1.00 0.00 C ATOM 1016 C LYS p 63 -7.135 -0.285 -3.141 1.00 0.00 C ATOM 1017 O LYS p 63 -7.597 0.561 -2.383 1.00 0.00 O ATOM 1018 CB LYS p 63 -7.248 -2.410 -1.824 1.00 0.00 C ATOM 1019 CG LYS p 63 -8.257 -3.429 -1.322 1.00 0.00 C ATOM 1020 CD LYS p 63 -7.937 -3.879 0.097 1.00 0.00 C ATOM 1021 CE LYS p 63 -8.938 -4.909 0.602 1.00 0.00 C ATOM 1022 NZ LYS p 63 -10.261 -4.300 0.921 1.00 0.00 N ATOM 0 H LYS p 63 -6.351 -2.998 -4.135 1.00 0.00 H new ATOM 0 HA LYS p 63 -8.759 -1.706 -3.155 1.00 0.00 H new ATOM 0 HB2 LYS p 63 -6.290 -2.906 -1.981 1.00 0.00 H new ATOM 0 HB3 LYS p 63 -7.093 -1.655 -1.054 1.00 0.00 H new ATOM 0 HG2 LYS p 63 -9.257 -2.997 -1.351 1.00 0.00 H new ATOM 0 HG3 LYS p 63 -8.264 -4.293 -1.986 1.00 0.00 H new ATOM 0 HD2 LYS p 63 -6.933 -4.303 0.126 1.00 0.00 H new ATOM 0 HD3 LYS p 63 -7.938 -3.015 0.761 1.00 0.00 H new ATOM 0 HE2 LYS p 63 -9.070 -5.685 -0.152 1.00 0.00 H new ATOM 0 HE3 LYS p 63 -8.539 -5.394 1.493 1.00 0.00 H new ATOM 0 HZ1 LYS p 63 -10.910 -5.038 1.261 1.00 0.00 H new ATOM 0 HZ2 LYS p 63 -10.142 -3.577 1.659 1.00 0.00 H new ATOM 0 HZ3 LYS p 63 -10.656 -3.859 0.066 1.00 0.00 H new ATOM 1036 N LEU p 64 -6.132 -0.055 -4.008 1.00 0.00 N ATOM 1037 CA LEU p 64 -5.498 1.254 -4.205 1.00 0.00 C ATOM 1038 C LEU p 64 -6.240 2.037 -5.293 1.00 0.00 C ATOM 1039 O LEU p 64 -6.107 3.249 -5.427 1.00 0.00 O ATOM 1040 CB LEU p 64 -4.019 1.043 -4.598 1.00 0.00 C ATOM 1041 CG LEU p 64 -3.100 2.280 -4.672 1.00 0.00 C ATOM 1042 CD1 LEU p 64 -3.035 2.790 -6.099 1.00 0.00 C ATOM 1043 CD2 LEU p 64 -3.573 3.375 -3.735 1.00 0.00 C ATOM 0 H LEU p 64 -5.736 -0.787 -4.598 1.00 0.00 H new ATOM 0 HA LEU p 64 -5.544 1.830 -3.281 1.00 0.00 H new ATOM 0 HB2 LEU p 64 -3.581 0.345 -3.884 1.00 0.00 H new ATOM 0 HB3 LEU p 64 -4.000 0.555 -5.573 1.00 0.00 H new ATOM 0 HG LEU p 64 -2.100 1.984 -4.354 1.00 0.00 H new ATOM 0 HD11 LEU p 64 -2.384 3.663 -6.144 1.00 0.00 H new ATOM 0 HD12 LEU p 64 -2.638 2.008 -6.747 1.00 0.00 H new ATOM 0 HD13 LEU p 64 -4.035 3.065 -6.433 1.00 0.00 H new ATOM 0 HD21 LEU p 64 -2.904 4.233 -3.811 1.00 0.00 H new ATOM 0 HD22 LEU p 64 -4.584 3.677 -4.009 1.00 0.00 H new ATOM 0 HD23 LEU p 64 -3.571 3.003 -2.710 1.00 0.00 H new ATOM 1055 N GLN p 65 -7.005 1.273 -6.037 1.00 0.00 N ATOM 1056 CA GLN p 65 -7.851 1.696 -7.124 1.00 0.00 C ATOM 1057 C GLN p 65 -9.232 1.868 -6.515 1.00 0.00 C ATOM 1058 O GLN p 65 -10.101 2.552 -7.045 1.00 0.00 O ATOM 1059 CB GLN p 65 -7.821 0.606 -8.207 1.00 0.00 C ATOM 1060 CG GLN p 65 -9.056 0.543 -9.082 1.00 0.00 C ATOM 1061 CD GLN p 65 -8.735 0.516 -10.564 1.00 0.00 C ATOM 1062 OE1 GLN p 65 -8.633 1.560 -11.208 1.00 0.00 O ATOM 1063 NE2 GLN p 65 -8.574 -0.682 -11.113 1.00 0.00 N ATOM 0 H GLN p 65 -7.054 0.266 -5.885 1.00 0.00 H new ATOM 0 HA GLN p 65 -7.535 2.627 -7.595 1.00 0.00 H new ATOM 0 HB2 GLN p 65 -6.951 0.770 -8.843 1.00 0.00 H new ATOM 0 HB3 GLN p 65 -7.686 -0.362 -7.724 1.00 0.00 H new ATOM 0 HG2 GLN p 65 -9.631 -0.346 -8.825 1.00 0.00 H new ATOM 0 HG3 GLN p 65 -9.689 1.404 -8.869 1.00 0.00 H new ATOM 0 HE21 GLN p 65 -8.668 -1.522 -10.541 1.00 0.00 H new ATOM 0 HE22 GLN p 65 -8.357 -0.763 -12.106 1.00 0.00 H new ATOM 1072 N ALA p 66 -9.360 1.184 -5.377 1.00 0.00 N ATOM 1073 CA ALA p 66 -10.542 1.175 -4.533 1.00 0.00 C ATOM 1074 C ALA p 66 -10.333 2.221 -3.465 1.00 0.00 C ATOM 1075 O ALA p 66 -11.277 2.685 -2.837 1.00 0.00 O ATOM 1076 CB ALA p 66 -10.782 -0.193 -3.913 1.00 0.00 C ATOM 0 H ALA p 66 -8.609 0.600 -5.009 1.00 0.00 H new ATOM 0 HA ALA p 66 -11.427 1.398 -5.128 1.00 0.00 H new ATOM 0 HB1 ALA p 66 -11.675 -0.158 -3.289 1.00 0.00 H new ATOM 0 HB2 ALA p 66 -10.920 -0.931 -4.703 1.00 0.00 H new ATOM 0 HB3 ALA p 66 -9.923 -0.471 -3.302 1.00 0.00 H new ATOM 1082 N LEU p 67 -9.039 2.547 -3.274 1.00 0.00 N ATOM 1083 CA LEU p 67 -8.590 3.591 -2.361 1.00 0.00 C ATOM 1084 C LEU p 67 -8.644 4.894 -3.147 1.00 0.00 C ATOM 1085 O LEU p 67 -8.966 5.953 -2.626 1.00 0.00 O ATOM 1086 CB LEU p 67 -7.150 3.317 -1.852 1.00 0.00 C ATOM 1087 CG LEU p 67 -6.546 4.326 -0.844 1.00 0.00 C ATOM 1088 CD1 LEU p 67 -5.500 5.183 -1.530 1.00 0.00 C ATOM 1089 CD2 LEU p 67 -7.620 5.214 -0.260 1.00 0.00 C ATOM 0 H LEU p 67 -8.274 2.080 -3.761 1.00 0.00 H new ATOM 0 HA LEU p 67 -9.225 3.631 -1.476 1.00 0.00 H new ATOM 0 HB2 LEU p 67 -7.139 2.330 -1.389 1.00 0.00 H new ATOM 0 HB3 LEU p 67 -6.490 3.270 -2.718 1.00 0.00 H new ATOM 0 HG LEU p 67 -6.083 3.760 -0.036 1.00 0.00 H new ATOM 0 HD11 LEU p 67 -5.081 5.889 -0.813 1.00 0.00 H new ATOM 0 HD12 LEU p 67 -4.705 4.546 -1.918 1.00 0.00 H new ATOM 0 HD13 LEU p 67 -5.961 5.731 -2.352 1.00 0.00 H new ATOM 0 HD21 LEU p 67 -7.170 5.914 0.445 1.00 0.00 H new ATOM 0 HD22 LEU p 67 -8.108 5.769 -1.061 1.00 0.00 H new ATOM 0 HD23 LEU p 67 -8.357 4.601 0.258 1.00 0.00 H new ATOM 1101 N LYS p 68 -8.307 4.745 -4.417 1.00 0.00 N ATOM 1102 CA LYS p 68 -8.348 5.829 -5.401 1.00 0.00 C ATOM 1103 C LYS p 68 -9.792 6.051 -5.786 1.00 0.00 C ATOM 1104 O LYS p 68 -10.202 7.171 -6.106 1.00 0.00 O ATOM 1105 CB LYS p 68 -7.504 5.529 -6.639 1.00 0.00 C ATOM 1106 CG LYS p 68 -6.071 6.019 -6.529 1.00 0.00 C ATOM 1107 CD LYS p 68 -5.343 5.915 -7.859 1.00 0.00 C ATOM 1108 CE LYS p 68 -3.910 6.414 -7.750 1.00 0.00 C ATOM 1109 NZ LYS p 68 -3.188 6.314 -9.048 1.00 0.00 N ATOM 0 H LYS p 68 -7.992 3.856 -4.806 1.00 0.00 H new ATOM 0 HA LYS p 68 -7.921 6.727 -4.954 1.00 0.00 H new ATOM 0 HB2 LYS p 68 -7.499 4.453 -6.814 1.00 0.00 H new ATOM 0 HB3 LYS p 68 -7.972 5.991 -7.508 1.00 0.00 H new ATOM 0 HG2 LYS p 68 -6.065 7.055 -6.190 1.00 0.00 H new ATOM 0 HG3 LYS p 68 -5.542 5.434 -5.777 1.00 0.00 H new ATOM 0 HD2 LYS p 68 -5.344 4.878 -8.195 1.00 0.00 H new ATOM 0 HD3 LYS p 68 -5.875 6.495 -8.613 1.00 0.00 H new ATOM 0 HE2 LYS p 68 -3.911 7.451 -7.414 1.00 0.00 H new ATOM 0 HE3 LYS p 68 -3.380 5.834 -6.994 1.00 0.00 H new ATOM 0 HZ1 LYS p 68 -2.215 6.664 -8.932 1.00 0.00 H new ATOM 0 HZ2 LYS p 68 -3.165 5.321 -9.357 1.00 0.00 H new ATOM 0 HZ3 LYS p 68 -3.679 6.887 -9.763 1.00 0.00 H new ATOM 1123 N LYS p 69 -10.556 4.948 -5.755 1.00 0.00 N ATOM 1124 CA LYS p 69 -11.993 5.003 -5.990 1.00 0.00 C ATOM 1125 C LYS p 69 -12.645 5.504 -4.711 1.00 0.00 C ATOM 1126 O LYS p 69 -13.711 6.103 -4.744 1.00 0.00 O ATOM 1127 CB LYS p 69 -12.555 3.639 -6.382 1.00 0.00 C ATOM 1128 CG LYS p 69 -13.025 3.551 -7.827 1.00 0.00 C ATOM 1129 CD LYS p 69 -14.504 3.881 -7.963 1.00 0.00 C ATOM 1130 CE LYS p 69 -14.967 3.787 -9.408 1.00 0.00 C ATOM 1131 NZ LYS p 69 -16.414 4.105 -9.549 1.00 0.00 N ATOM 0 H LYS p 69 -10.196 4.012 -5.569 1.00 0.00 H new ATOM 0 HA LYS p 69 -12.204 5.675 -6.822 1.00 0.00 H new ATOM 0 HB2 LYS p 69 -11.790 2.881 -6.214 1.00 0.00 H new ATOM 0 HB3 LYS p 69 -13.391 3.400 -5.724 1.00 0.00 H new ATOM 0 HG2 LYS p 69 -12.442 4.237 -8.441 1.00 0.00 H new ATOM 0 HG3 LYS p 69 -12.840 2.547 -8.208 1.00 0.00 H new ATOM 0 HD2 LYS p 69 -15.088 3.197 -7.348 1.00 0.00 H new ATOM 0 HD3 LYS p 69 -14.689 4.887 -7.585 1.00 0.00 H new ATOM 0 HE2 LYS p 69 -14.383 4.473 -10.022 1.00 0.00 H new ATOM 0 HE3 LYS p 69 -14.778 2.782 -9.785 1.00 0.00 H new ATOM 0 HZ1 LYS p 69 -16.690 4.030 -10.549 1.00 0.00 H new ATOM 0 HZ2 LYS p 69 -16.973 3.435 -8.984 1.00 0.00 H new ATOM 0 HZ3 LYS p 69 -16.591 5.073 -9.213 1.00 0.00 H new ATOM 1145 N LYS p 70 -11.932 5.256 -3.594 1.00 0.00 N ATOM 1146 CA LYS p 70 -12.314 5.700 -2.255 1.00 0.00 C ATOM 1147 C LYS p 70 -11.793 7.107 -2.064 1.00 0.00 C ATOM 1148 O LYS p 70 -12.218 7.819 -1.164 1.00 0.00 O ATOM 1149 CB LYS p 70 -11.737 4.784 -1.182 1.00 0.00 C ATOM 1150 CG LYS p 70 -12.782 4.105 -0.311 1.00 0.00 C ATOM 1151 CD LYS p 70 -12.747 4.632 1.115 1.00 0.00 C ATOM 1152 CE LYS p 70 -13.783 3.943 1.988 1.00 0.00 C ATOM 1153 NZ LYS p 70 -13.748 4.444 3.391 1.00 0.00 N ATOM 0 H LYS p 70 -11.058 4.730 -3.607 1.00 0.00 H new ATOM 0 HA LYS p 70 -13.400 5.672 -2.160 1.00 0.00 H new ATOM 0 HB2 LYS p 70 -11.129 4.018 -1.663 1.00 0.00 H new ATOM 0 HB3 LYS p 70 -11.071 5.365 -0.544 1.00 0.00 H new ATOM 0 HG2 LYS p 70 -13.773 4.268 -0.736 1.00 0.00 H new ATOM 0 HG3 LYS p 70 -12.610 3.029 -0.307 1.00 0.00 H new ATOM 0 HD2 LYS p 70 -11.754 4.478 1.537 1.00 0.00 H new ATOM 0 HD3 LYS p 70 -12.929 5.707 1.112 1.00 0.00 H new ATOM 0 HE2 LYS p 70 -14.776 4.105 1.569 1.00 0.00 H new ATOM 0 HE3 LYS p 70 -13.606 2.868 1.982 1.00 0.00 H new ATOM 0 HZ1 LYS p 70 -14.469 3.950 3.954 1.00 0.00 H new ATOM 0 HZ2 LYS p 70 -12.808 4.267 3.800 1.00 0.00 H new ATOM 0 HZ3 LYS p 70 -13.942 5.466 3.400 1.00 0.00 H new ATOM 1167 N ASN p 71 -10.811 7.445 -2.916 1.00 0.00 N ATOM 1168 CA ASN p 71 -10.231 8.786 -2.991 1.00 0.00 C ATOM 1169 C ASN p 71 -11.119 9.575 -3.948 1.00 0.00 C ATOM 1170 O ASN p 71 -11.050 10.795 -4.040 1.00 0.00 O ATOM 1171 CB ASN p 71 -8.786 8.759 -3.502 1.00 0.00 C ATOM 1172 CG ASN p 71 -7.995 9.987 -3.087 1.00 0.00 C ATOM 1173 OD1 ASN p 71 -7.357 10.005 -2.034 1.00 0.00 O ATOM 1174 ND2 ASN p 71 -8.034 11.023 -3.917 1.00 0.00 N ATOM 0 H ASN p 71 -10.397 6.786 -3.575 1.00 0.00 H new ATOM 0 HA ASN p 71 -10.192 9.240 -2.001 1.00 0.00 H new ATOM 0 HB2 ASN p 71 -8.288 7.866 -3.124 1.00 0.00 H new ATOM 0 HB3 ASN p 71 -8.791 8.685 -4.589 1.00 0.00 H new ATOM 0 HD21 ASN p 71 -7.522 11.876 -3.692 1.00 0.00 H new ATOM 0 HD22 ASN p 71 -8.575 10.965 -4.779 1.00 0.00 H new ATOM 1181 N ALA p 72 -11.931 8.783 -4.667 1.00 0.00 N ATOM 1182 CA ALA p 72 -12.941 9.239 -5.606 1.00 0.00 C ATOM 1183 C ALA p 72 -14.244 9.330 -4.839 1.00 0.00 C ATOM 1184 O ALA p 72 -15.152 10.069 -5.211 1.00 0.00 O ATOM 1185 CB ALA p 72 -13.067 8.289 -6.787 1.00 0.00 C ATOM 0 H ALA p 72 -11.891 7.766 -4.599 1.00 0.00 H new ATOM 0 HA ALA p 72 -12.668 10.209 -6.021 1.00 0.00 H new ATOM 0 HB1 ALA p 72 -13.831 8.658 -7.471 1.00 0.00 H new ATOM 0 HB2 ALA p 72 -12.112 8.228 -7.308 1.00 0.00 H new ATOM 0 HB3 ALA p 72 -13.349 7.299 -6.429 1.00 0.00 H new ATOM 1191 N GLN p 73 -14.299 8.520 -3.761 1.00 0.00 N ATOM 1192 CA GLN p 73 -15.405 8.486 -2.813 1.00 0.00 C ATOM 1193 C GLN p 73 -15.121 9.550 -1.799 1.00 0.00 C ATOM 1194 O GLN p 73 -16.013 10.101 -1.164 1.00 0.00 O ATOM 1195 CB GLN p 73 -15.481 7.152 -2.100 1.00 0.00 C ATOM 1196 CG GLN p 73 -15.699 5.996 -3.033 1.00 0.00 C ATOM 1197 CD GLN p 73 -16.967 5.219 -2.737 1.00 0.00 C ATOM 1198 OE1 GLN p 73 -16.957 4.268 -1.956 1.00 0.00 O ATOM 1199 NE2 GLN p 73 -18.067 5.621 -3.362 1.00 0.00 N ATOM 0 H GLN p 73 -13.554 7.862 -3.531 1.00 0.00 H new ATOM 0 HA GLN p 73 -16.349 8.640 -3.336 1.00 0.00 H new ATOM 0 HB2 GLN p 73 -14.558 6.992 -1.542 1.00 0.00 H new ATOM 0 HB3 GLN p 73 -16.292 7.182 -1.372 1.00 0.00 H new ATOM 0 HG2 GLN p 73 -15.739 6.367 -4.057 1.00 0.00 H new ATOM 0 HG3 GLN p 73 -14.845 5.322 -2.971 1.00 0.00 H new ATOM 0 HE21 GLN p 73 -18.029 6.415 -4.001 1.00 0.00 H new ATOM 0 HE22 GLN p 73 -18.950 5.136 -3.203 1.00 0.00 H new ATOM 1208 N LEU p 74 -13.815 9.759 -1.649 1.00 0.00 N ATOM 1209 CA LEU p 74 -13.247 10.794 -0.791 1.00 0.00 C ATOM 1210 C LEU p 74 -13.334 12.110 -1.535 1.00 0.00 C ATOM 1211 O LEU p 74 -13.521 13.148 -0.949 1.00 0.00 O ATOM 1212 CB LEU p 74 -11.794 10.481 -0.449 1.00 0.00 C ATOM 1213 CG LEU p 74 -11.205 11.172 0.782 1.00 0.00 C ATOM 1214 CD1 LEU p 74 -11.668 10.509 2.076 1.00 0.00 C ATOM 1215 CD2 LEU p 74 -9.699 11.137 0.673 1.00 0.00 C ATOM 0 H LEU p 74 -13.109 9.202 -2.130 1.00 0.00 H new ATOM 0 HA LEU p 74 -13.802 10.844 0.146 1.00 0.00 H new ATOM 0 HB2 LEU p 74 -11.704 9.404 -0.308 1.00 0.00 H new ATOM 0 HB3 LEU p 74 -11.180 10.742 -1.310 1.00 0.00 H new ATOM 0 HG LEU p 74 -11.555 12.204 0.815 1.00 0.00 H new ATOM 0 HD11 LEU p 74 -11.229 11.028 2.928 1.00 0.00 H new ATOM 0 HD12 LEU p 74 -12.755 10.559 2.142 1.00 0.00 H new ATOM 0 HD13 LEU p 74 -11.352 9.466 2.084 1.00 0.00 H new ATOM 0 HD21 LEU p 74 -9.260 11.626 1.543 1.00 0.00 H new ATOM 0 HD22 LEU p 74 -9.361 10.102 0.629 1.00 0.00 H new ATOM 0 HD23 LEU p 74 -9.387 11.659 -0.232 1.00 0.00 H new ATOM 1227 N LYS p 75 -13.225 12.010 -2.858 1.00 0.00 N ATOM 1228 CA LYS p 75 -13.344 13.146 -3.766 1.00 0.00 C ATOM 1229 C LYS p 75 -14.818 13.376 -3.974 1.00 0.00 C ATOM 1230 O LYS p 75 -15.262 14.454 -4.381 1.00 0.00 O ATOM 1231 CB LYS p 75 -12.662 12.858 -5.096 1.00 0.00 C ATOM 1232 CG LYS p 75 -11.525 13.807 -5.434 1.00 0.00 C ATOM 1233 CD LYS p 75 -11.936 14.817 -6.494 1.00 0.00 C ATOM 1234 CE LYS p 75 -10.793 15.755 -6.844 1.00 0.00 C ATOM 1235 NZ LYS p 75 -11.178 16.729 -7.903 1.00 0.00 N ATOM 0 H LYS p 75 -13.049 11.126 -3.335 1.00 0.00 H new ATOM 0 HA LYS p 75 -12.859 14.027 -3.345 1.00 0.00 H new ATOM 0 HB2 LYS p 75 -12.276 11.839 -5.080 1.00 0.00 H new ATOM 0 HB3 LYS p 75 -13.407 12.904 -5.890 1.00 0.00 H new ATOM 0 HG2 LYS p 75 -11.209 14.333 -4.533 1.00 0.00 H new ATOM 0 HG3 LYS p 75 -10.667 13.236 -5.788 1.00 0.00 H new ATOM 0 HD2 LYS p 75 -12.264 14.291 -7.391 1.00 0.00 H new ATOM 0 HD3 LYS p 75 -12.787 15.397 -6.135 1.00 0.00 H new ATOM 0 HE2 LYS p 75 -10.480 16.295 -5.950 1.00 0.00 H new ATOM 0 HE3 LYS p 75 -9.936 15.172 -7.181 1.00 0.00 H new ATOM 0 HZ1 LYS p 75 -10.371 17.351 -8.113 1.00 0.00 H new ATOM 0 HZ2 LYS p 75 -11.452 16.215 -8.764 1.00 0.00 H new ATOM 0 HZ3 LYS p 75 -11.980 17.303 -7.572 1.00 0.00 H new ATOM 1249 N LYS p 76 -15.562 12.302 -3.677 1.00 0.00 N ATOM 1250 CA LYS p 76 -17.016 12.322 -3.722 1.00 0.00 C ATOM 1251 C LYS p 76 -17.501 12.818 -2.382 1.00 0.00 C ATOM 1252 O LYS p 76 -18.549 13.463 -2.276 1.00 0.00 O ATOM 1253 CB LYS p 76 -17.581 10.939 -4.016 1.00 0.00 C ATOM 1254 CG LYS p 76 -18.138 10.778 -5.423 1.00 0.00 C ATOM 1255 CD LYS p 76 -19.635 11.046 -5.470 1.00 0.00 C ATOM 1256 CE LYS p 76 -20.188 10.875 -6.875 1.00 0.00 C ATOM 1257 NZ LYS p 76 -21.661 11.088 -6.923 1.00 0.00 N ATOM 0 H LYS p 76 -15.168 11.403 -3.401 1.00 0.00 H new ATOM 0 HA LYS p 76 -17.355 12.978 -4.524 1.00 0.00 H new ATOM 0 HB2 LYS p 76 -16.797 10.198 -3.861 1.00 0.00 H new ATOM 0 HB3 LYS p 76 -18.371 10.722 -3.298 1.00 0.00 H new ATOM 0 HG2 LYS p 76 -17.624 11.462 -6.098 1.00 0.00 H new ATOM 0 HG3 LYS p 76 -17.938 9.768 -5.780 1.00 0.00 H new ATOM 0 HD2 LYS p 76 -20.149 10.366 -4.790 1.00 0.00 H new ATOM 0 HD3 LYS p 76 -19.836 12.059 -5.120 1.00 0.00 H new ATOM 0 HE2 LYS p 76 -19.697 11.580 -7.546 1.00 0.00 H new ATOM 0 HE3 LYS p 76 -19.954 9.874 -7.238 1.00 0.00 H new ATOM 0 HZ1 LYS p 76 -21.998 10.962 -7.899 1.00 0.00 H new ATOM 0 HZ2 LYS p 76 -22.132 10.399 -6.302 1.00 0.00 H new ATOM 0 HZ3 LYS p 76 -21.883 12.052 -6.602 1.00 0.00 H new ATOM 1271 N LYS p 77 -16.705 12.495 -1.355 1.00 0.00 N ATOM 1272 CA LYS p 77 -16.969 12.950 -0.004 1.00 0.00 C ATOM 1273 C LYS p 77 -16.348 14.327 0.211 1.00 0.00 C ATOM 1274 O LYS p 77 -16.709 15.038 1.152 1.00 0.00 O ATOM 1275 CB LYS p 77 -16.426 11.956 1.013 1.00 0.00 C ATOM 1276 CG LYS p 77 -17.440 10.917 1.453 1.00 0.00 C ATOM 1277 CD LYS p 77 -16.964 10.158 2.681 1.00 0.00 C ATOM 1278 CE LYS p 77 -17.983 9.120 3.124 1.00 0.00 C ATOM 1279 NZ LYS p 77 -17.525 8.369 4.326 1.00 0.00 N ATOM 0 H LYS p 77 -15.870 11.916 -1.446 1.00 0.00 H new ATOM 0 HA LYS p 77 -18.047 13.023 0.136 1.00 0.00 H new ATOM 0 HB2 LYS p 77 -15.561 11.448 0.586 1.00 0.00 H new ATOM 0 HB3 LYS p 77 -16.075 12.501 1.889 1.00 0.00 H new ATOM 0 HG2 LYS p 77 -18.390 11.404 1.671 1.00 0.00 H new ATOM 0 HG3 LYS p 77 -17.621 10.216 0.638 1.00 0.00 H new ATOM 0 HD2 LYS p 77 -16.015 9.668 2.462 1.00 0.00 H new ATOM 0 HD3 LYS p 77 -16.780 10.859 3.495 1.00 0.00 H new ATOM 0 HE2 LYS p 77 -18.931 9.612 3.343 1.00 0.00 H new ATOM 0 HE3 LYS p 77 -18.168 8.421 2.308 1.00 0.00 H new ATOM 0 HZ1 LYS p 77 -18.248 7.671 4.596 1.00 0.00 H new ATOM 0 HZ2 LYS p 77 -16.634 7.878 4.110 1.00 0.00 H new ATOM 0 HZ3 LYS p 77 -17.373 9.032 5.113 1.00 0.00 H new ATOM 1293 N LEU p 78 -15.404 14.693 -0.681 1.00 0.00 N ATOM 1294 CA LEU p 78 -14.739 15.999 -0.628 1.00 0.00 C ATOM 1295 C LEU p 78 -15.715 17.116 -1.012 1.00 0.00 C ATOM 1296 O LEU p 78 -15.986 18.028 -0.226 1.00 0.00 O ATOM 1297 CB LEU p 78 -13.533 15.964 -1.583 1.00 0.00 C ATOM 1298 CG LEU p 78 -12.543 17.127 -1.526 1.00 0.00 C ATOM 1299 CD1 LEU p 78 -11.222 16.665 -2.095 1.00 0.00 C ATOM 1300 CD2 LEU p 78 -13.059 18.316 -2.321 1.00 0.00 C ATOM 0 H LEU p 78 -15.089 14.096 -1.446 1.00 0.00 H new ATOM 0 HA LEU p 78 -14.396 16.205 0.386 1.00 0.00 H new ATOM 0 HB2 LEU p 78 -12.980 15.044 -1.391 1.00 0.00 H new ATOM 0 HB3 LEU p 78 -13.915 15.899 -2.602 1.00 0.00 H new ATOM 0 HG LEU p 78 -12.418 17.442 -0.490 1.00 0.00 H new ATOM 0 HD11 LEU p 78 -10.505 17.485 -2.061 1.00 0.00 H new ATOM 0 HD12 LEU p 78 -10.845 15.828 -1.507 1.00 0.00 H new ATOM 0 HD13 LEU p 78 -11.362 16.348 -3.128 1.00 0.00 H new ATOM 0 HD21 LEU p 78 -12.338 19.131 -2.266 1.00 0.00 H new ATOM 0 HD22 LEU p 78 -13.198 18.025 -3.362 1.00 0.00 H new ATOM 0 HD23 LEU p 78 -14.011 18.646 -1.906 1.00 0.00 H new ATOM 1312 N GLN p 79 -16.222 17.009 -2.233 1.00 0.00 N ATOM 1313 CA GLN p 79 -17.178 17.949 -2.802 1.00 0.00 C ATOM 1314 C GLN p 79 -18.587 17.678 -2.283 1.00 0.00 C ATOM 1315 O GLN p 79 -19.259 18.569 -1.759 1.00 0.00 O ATOM 1316 CB GLN p 79 -17.158 17.831 -4.328 1.00 0.00 C ATOM 1317 CG GLN p 79 -15.768 17.834 -4.950 1.00 0.00 C ATOM 1318 CD GLN p 79 -15.404 19.169 -5.569 1.00 0.00 C ATOM 1319 OE1 GLN p 79 -14.840 20.041 -4.905 1.00 0.00 O ATOM 1320 NE2 GLN p 79 -15.727 19.339 -6.845 1.00 0.00 N ATOM 0 H GLN p 79 -15.975 16.250 -2.869 1.00 0.00 H new ATOM 0 HA GLN p 79 -16.893 18.958 -2.504 1.00 0.00 H new ATOM 0 HB2 GLN p 79 -17.667 16.910 -4.614 1.00 0.00 H new ATOM 0 HB3 GLN p 79 -17.731 18.656 -4.750 1.00 0.00 H new ATOM 0 HG2 GLN p 79 -15.033 17.580 -4.186 1.00 0.00 H new ATOM 0 HG3 GLN p 79 -15.715 17.058 -5.714 1.00 0.00 H new ATOM 0 HE21 GLN p 79 -16.193 18.590 -7.357 1.00 0.00 H new ATOM 0 HE22 GLN p 79 -15.509 20.218 -7.314 1.00 0.00 H new ATOM 1329 N ALA p 80 -19.004 16.416 -2.443 1.00 0.00 N ATOM 1330 CA ALA p 80 -20.331 15.910 -2.017 1.00 0.00 C ATOM 1331 C ALA p 80 -21.487 16.649 -2.706 1.00 0.00 C ATOM 1332 O ALA p 80 -22.185 16.012 -3.524 1.00 0.00 O ATOM 1333 CB ALA p 80 -20.486 15.960 -0.493 1.00 0.00 C ATOM 1334 OXT ALA p 80 -21.679 17.853 -2.429 1.00 0.00 O ATOM 0 H ALA p 80 -18.424 15.699 -2.879 1.00 0.00 H new ATOM 0 HA ALA p 80 -20.381 14.868 -2.332 1.00 0.00 H new ATOM 0 HB1 ALA p 80 -21.470 15.582 -0.215 1.00 0.00 H new ATOM 0 HB2 ALA p 80 -19.716 15.344 -0.029 1.00 0.00 H new ATOM 0 HB3 ALA p 80 -20.383 16.990 -0.150 1.00 0.00 H new TER 1340 ALA p 80