USER MOD reduce.3.24.130724 H: found=0, std=0, add=999, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 1000 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 SER OG : rot 39:sc= -0.159 USER MOD Set 1.2: A 85 MET CE :methyl -143:sc= -1.44 (180deg=-1.01) USER MOD Single : A 4 LYS NZ :NH3+ 172:sc= -1.27 (180deg=-1.43!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= -1.22! USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0383 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0.11) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN :FLIP amide:sc= -0.356 F(o=-3.3!,f=-0.36) USER MOD Single : A 32 ASN :FLIP amide:sc= -0.268 F(o=-2.9!,f=-0.27) USER MOD Single : A 44 ASN : amide:sc=-0.00709 X(o=-0.0071,f=-0.1) USER MOD Single : A 45 LYS NZ :NH3+ 152:sc= -0.0696 (180deg=-0.978) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 15:sc= -0.884 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -2.55! X(o=-2.5!,f=-2.8) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -10:sc= 0.0615! USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 91:sc= -0.475 USER MOD Single : A 87 THR OG1 : rot 180:sc=-0.000396 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= -3.23! C(o=-3.2!,f=-5.5!) USER MOD Single : A 100 GLN : amide:sc= -0.846 K(o=-0.85,f=-6.3!) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= -2.48! USER MOD Single : A 109 LYS NZ :NH3+ -107:sc= -2.07! (180deg=-4.23!) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot -130:sc= 0.154 USER MOD Single : A 119 LYS NZ :NH3+ -147:sc= -0.211 (180deg=-0.566) USER MOD Single : A 121 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -14.217 -0.607 7.897 1.00 0.00 N ATOM 2 CA ALA A 2 -13.351 0.358 8.635 1.00 0.00 C ATOM 3 C ALA A 2 -13.765 1.786 8.270 1.00 0.00 C ATOM 4 O ALA A 2 -14.755 1.999 7.598 1.00 0.00 O ATOM 5 CB ALA A 2 -11.887 0.131 8.245 1.00 0.00 C ATOM 0 HA ALA A 2 -13.465 0.208 9.709 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.253 0.836 8.784 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.596 -0.888 8.501 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.768 0.283 7.172 1.00 0.00 H new ATOM 11 N ASP A 3 -13.016 2.764 8.707 1.00 0.00 N ATOM 12 CA ASP A 3 -13.364 4.180 8.385 1.00 0.00 C ATOM 13 C ASP A 3 -13.724 4.288 6.901 1.00 0.00 C ATOM 14 O ASP A 3 -13.192 3.577 6.080 1.00 0.00 O ATOM 15 CB ASP A 3 -12.156 5.075 8.682 1.00 0.00 C ATOM 16 CG ASP A 3 -12.087 5.360 10.183 1.00 0.00 C ATOM 17 OD1 ASP A 3 -12.881 6.161 10.652 1.00 0.00 O ATOM 18 OD2 ASP A 3 -11.242 4.774 10.840 1.00 0.00 O ATOM 0 H ASP A 3 -12.177 2.643 9.274 1.00 0.00 H new ATOM 0 HA ASP A 3 -14.213 4.497 8.990 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.239 4.587 8.351 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -12.238 6.010 8.127 1.00 0.00 H new ATOM 23 N LYS A 4 -14.633 5.157 6.547 1.00 0.00 N ATOM 24 CA LYS A 4 -15.005 5.289 5.108 1.00 0.00 C ATOM 25 C LYS A 4 -14.119 6.337 4.433 1.00 0.00 C ATOM 26 O LYS A 4 -14.402 6.789 3.341 1.00 0.00 O ATOM 27 CB LYS A 4 -16.469 5.701 4.979 1.00 0.00 C ATOM 28 CG LYS A 4 -16.833 5.872 3.503 1.00 0.00 C ATOM 29 CD LYS A 4 -18.267 5.393 3.270 1.00 0.00 C ATOM 30 CE LYS A 4 -18.674 5.678 1.823 1.00 0.00 C ATOM 31 NZ LYS A 4 -17.491 6.174 1.063 1.00 0.00 N ATOM 0 H LYS A 4 -15.131 5.777 7.186 1.00 0.00 H new ATOM 0 HA LYS A 4 -14.860 4.325 4.620 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -17.110 4.947 5.436 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.642 6.634 5.516 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.737 6.918 3.213 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -16.143 5.303 2.879 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -18.343 4.325 3.476 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -18.946 5.899 3.956 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -19.065 4.772 1.359 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -19.473 6.419 1.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -17.730 6.239 0.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -17.221 7.114 1.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -16.696 5.515 1.189 1.00 0.00 H new ATOM 45 N GLU A 5 -13.059 6.746 5.067 1.00 0.00 N ATOM 46 CA GLU A 5 -12.190 7.777 4.436 1.00 0.00 C ATOM 47 C GLU A 5 -10.753 7.636 4.929 1.00 0.00 C ATOM 48 O GLU A 5 -10.107 8.610 5.258 1.00 0.00 O ATOM 49 CB GLU A 5 -12.716 9.170 4.793 1.00 0.00 C ATOM 50 CG GLU A 5 -11.840 10.232 4.126 1.00 0.00 C ATOM 51 CD GLU A 5 -12.729 11.244 3.399 1.00 0.00 C ATOM 52 OE1 GLU A 5 -13.341 10.865 2.414 1.00 0.00 O ATOM 53 OE2 GLU A 5 -12.782 12.381 3.840 1.00 0.00 O ATOM 0 H GLU A 5 -12.758 6.417 5.984 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.206 7.639 3.355 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.749 9.276 4.463 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.711 9.306 5.874 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -11.231 10.739 4.875 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -11.154 9.762 3.421 1.00 0.00 H new ATOM 60 N LEU A 6 -10.232 6.440 4.969 1.00 0.00 N ATOM 61 CA LEU A 6 -8.834 6.278 5.424 1.00 0.00 C ATOM 62 C LEU A 6 -7.929 6.789 4.297 1.00 0.00 C ATOM 63 O LEU A 6 -8.189 6.555 3.139 1.00 0.00 O ATOM 64 CB LEU A 6 -8.587 4.795 5.743 1.00 0.00 C ATOM 65 CG LEU A 6 -7.164 4.549 6.252 1.00 0.00 C ATOM 66 CD1 LEU A 6 -6.831 5.493 7.397 1.00 0.00 C ATOM 67 CD2 LEU A 6 -7.078 3.129 6.782 1.00 0.00 C ATOM 0 H LEU A 6 -10.713 5.579 4.708 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.623 6.845 6.331 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.304 4.461 6.493 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -8.761 4.197 4.848 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.466 4.713 5.431 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.815 5.301 7.743 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.908 6.524 7.052 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.531 5.331 8.217 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.069 2.938 7.149 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.791 3.001 7.597 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.312 2.427 5.982 1.00 0.00 H new ATOM 79 N LYS A 7 -6.910 7.538 4.618 1.00 0.00 N ATOM 80 CA LYS A 7 -6.041 8.115 3.546 1.00 0.00 C ATOM 81 C LYS A 7 -5.131 7.055 2.912 1.00 0.00 C ATOM 82 O LYS A 7 -4.246 6.516 3.554 1.00 0.00 O ATOM 83 CB LYS A 7 -5.176 9.222 4.150 1.00 0.00 C ATOM 84 CG LYS A 7 -5.910 10.564 4.040 1.00 0.00 C ATOM 85 CD LYS A 7 -5.116 11.659 4.765 1.00 0.00 C ATOM 86 CE LYS A 7 -4.022 12.213 3.844 1.00 0.00 C ATOM 87 NZ LYS A 7 -4.491 13.487 3.230 1.00 0.00 N ATOM 0 H LYS A 7 -6.640 7.777 5.572 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.689 8.510 2.763 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.959 8.999 5.195 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.220 9.275 3.630 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.040 10.832 2.991 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.907 10.479 4.473 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.786 12.462 5.071 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.668 11.254 5.672 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.107 12.385 4.410 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.784 11.487 3.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.750 13.864 2.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.353 13.309 2.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.697 14.178 3.979 1.00 0.00 H new ATOM 101 N PHE A 8 -5.323 6.788 1.639 1.00 0.00 N ATOM 102 CA PHE A 8 -4.459 5.806 0.933 1.00 0.00 C ATOM 103 C PHE A 8 -3.508 6.559 0.010 1.00 0.00 C ATOM 104 O PHE A 8 -3.807 7.635 -0.460 1.00 0.00 O ATOM 105 CB PHE A 8 -5.304 4.872 0.061 1.00 0.00 C ATOM 106 CG PHE A 8 -6.148 3.962 0.910 1.00 0.00 C ATOM 107 CD1 PHE A 8 -7.349 4.434 1.422 1.00 0.00 C ATOM 108 CD2 PHE A 8 -5.735 2.651 1.177 1.00 0.00 C ATOM 109 CE1 PHE A 8 -8.146 3.605 2.210 1.00 0.00 C ATOM 110 CE2 PHE A 8 -6.531 1.818 1.972 1.00 0.00 C ATOM 111 CZ PHE A 8 -7.739 2.298 2.491 1.00 0.00 C ATOM 0 H PHE A 8 -6.048 7.215 1.062 1.00 0.00 H new ATOM 0 HA PHE A 8 -3.916 5.225 1.679 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -5.945 5.461 -0.595 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.652 4.278 -0.579 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.666 5.444 1.210 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -4.804 2.283 0.771 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.081 3.974 2.605 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.214 0.808 2.184 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.355 1.660 3.107 1.00 0.00 H new ATOM 121 N LEU A 9 -2.379 5.988 -0.267 1.00 0.00 N ATOM 122 CA LEU A 9 -1.412 6.642 -1.188 1.00 0.00 C ATOM 123 C LEU A 9 -0.879 5.554 -2.120 1.00 0.00 C ATOM 124 O LEU A 9 -0.077 4.727 -1.736 1.00 0.00 O ATOM 125 CB LEU A 9 -0.297 7.301 -0.349 1.00 0.00 C ATOM 126 CG LEU A 9 1.051 7.510 -1.093 1.00 0.00 C ATOM 127 CD1 LEU A 9 0.932 7.592 -2.625 1.00 0.00 C ATOM 128 CD2 LEU A 9 1.657 8.825 -0.605 1.00 0.00 C ATOM 0 H LEU A 9 -2.078 5.088 0.106 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.869 7.429 -1.789 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.653 8.269 0.004 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.116 6.687 0.533 1.00 0.00 H new ATOM 0 HG LEU A 9 1.665 6.637 -0.872 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.921 7.738 -3.059 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.501 6.666 -3.007 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.289 8.430 -2.896 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.606 8.998 -1.112 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.973 9.645 -0.826 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.824 8.771 0.471 1.00 0.00 H new ATOM 140 N VAL A 10 -1.340 5.542 -3.343 1.00 0.00 N ATOM 141 CA VAL A 10 -0.885 4.498 -4.304 1.00 0.00 C ATOM 142 C VAL A 10 0.335 4.980 -5.102 1.00 0.00 C ATOM 143 O VAL A 10 0.286 5.986 -5.781 1.00 0.00 O ATOM 144 CB VAL A 10 -2.028 4.188 -5.269 1.00 0.00 C ATOM 145 CG1 VAL A 10 -2.959 3.148 -4.646 1.00 0.00 C ATOM 146 CG2 VAL A 10 -2.817 5.470 -5.551 1.00 0.00 C ATOM 0 H VAL A 10 -2.013 6.211 -3.717 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.600 3.605 -3.747 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.619 3.796 -6.200 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.773 2.929 -5.336 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.400 2.235 -4.443 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.368 3.538 -3.714 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.633 5.251 -6.239 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.224 5.859 -4.618 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.156 6.213 -5.997 1.00 0.00 H new ATOM 156 N VAL A 11 1.425 4.247 -5.044 1.00 0.00 N ATOM 157 CA VAL A 11 2.643 4.630 -5.811 1.00 0.00 C ATOM 158 C VAL A 11 2.880 3.601 -6.920 1.00 0.00 C ATOM 159 O VAL A 11 3.510 2.583 -6.704 1.00 0.00 O ATOM 160 CB VAL A 11 3.867 4.665 -4.888 1.00 0.00 C ATOM 161 CG1 VAL A 11 5.100 5.092 -5.689 1.00 0.00 C ATOM 162 CG2 VAL A 11 3.641 5.672 -3.763 1.00 0.00 C ATOM 0 H VAL A 11 1.517 3.394 -4.492 1.00 0.00 H new ATOM 0 HA VAL A 11 2.495 5.621 -6.240 1.00 0.00 H new ATOM 0 HB VAL A 11 4.020 3.671 -4.467 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.970 5.117 -5.032 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.274 4.380 -6.496 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.935 6.084 -6.110 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.514 5.692 -3.111 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.483 6.663 -4.188 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.764 5.381 -3.185 1.00 0.00 H new ATOM 172 N ASP A 12 2.375 3.858 -8.101 1.00 0.00 N ATOM 173 CA ASP A 12 2.561 2.898 -9.232 1.00 0.00 C ATOM 174 C ASP A 12 3.137 3.636 -10.442 1.00 0.00 C ATOM 175 O ASP A 12 3.412 4.818 -10.389 1.00 0.00 O ATOM 176 CB ASP A 12 1.206 2.293 -9.608 1.00 0.00 C ATOM 177 CG ASP A 12 0.086 3.227 -9.148 1.00 0.00 C ATOM 178 OD1 ASP A 12 0.208 4.421 -9.368 1.00 0.00 O ATOM 179 OD2 ASP A 12 -0.877 2.733 -8.584 1.00 0.00 O ATOM 0 H ASP A 12 1.840 4.695 -8.331 1.00 0.00 H new ATOM 0 HA ASP A 12 3.247 2.107 -8.928 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.149 2.143 -10.686 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.091 1.314 -9.143 1.00 0.00 H new ATOM 184 N ASP A 13 3.324 2.945 -11.534 1.00 0.00 N ATOM 185 CA ASP A 13 3.884 3.603 -12.748 1.00 0.00 C ATOM 186 C ASP A 13 3.286 2.958 -14.002 1.00 0.00 C ATOM 187 O ASP A 13 3.899 2.934 -15.051 1.00 0.00 O ATOM 188 CB ASP A 13 5.404 3.433 -12.764 1.00 0.00 C ATOM 189 CG ASP A 13 5.987 3.908 -11.432 1.00 0.00 C ATOM 190 OD1 ASP A 13 5.745 3.249 -10.434 1.00 0.00 O ATOM 191 OD2 ASP A 13 6.665 4.922 -11.431 1.00 0.00 O ATOM 0 H ASP A 13 3.113 1.952 -11.637 1.00 0.00 H new ATOM 0 HA ASP A 13 3.636 4.664 -12.732 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.661 2.387 -12.933 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.835 4.004 -13.586 1.00 0.00 H new ATOM 196 N PHE A 14 2.095 2.434 -13.903 1.00 0.00 N ATOM 197 CA PHE A 14 1.463 1.792 -15.090 1.00 0.00 C ATOM 198 C PHE A 14 0.642 2.832 -15.854 1.00 0.00 C ATOM 199 O PHE A 14 0.154 2.578 -16.937 1.00 0.00 O ATOM 200 CB PHE A 14 0.548 0.655 -14.629 1.00 0.00 C ATOM 201 CG PHE A 14 0.808 -0.573 -15.468 1.00 0.00 C ATOM 202 CD1 PHE A 14 0.366 -0.621 -16.795 1.00 0.00 C ATOM 203 CD2 PHE A 14 1.491 -1.664 -14.917 1.00 0.00 C ATOM 204 CE1 PHE A 14 0.607 -1.761 -17.573 1.00 0.00 C ATOM 205 CE2 PHE A 14 1.732 -2.803 -15.694 1.00 0.00 C ATOM 206 CZ PHE A 14 1.291 -2.852 -17.021 1.00 0.00 C ATOM 0 H PHE A 14 1.533 2.423 -13.052 1.00 0.00 H new ATOM 0 HA PHE A 14 2.238 1.391 -15.743 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.727 0.434 -13.577 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.496 0.955 -14.719 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.161 0.221 -17.219 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.832 -1.627 -13.893 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.266 -1.799 -18.597 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.259 -3.645 -15.269 1.00 0.00 H new ATOM 0 HZ PHE A 14 1.478 -3.731 -17.620 1.00 0.00 H new ATOM 216 N SER A 15 0.492 4.003 -15.299 1.00 0.00 N ATOM 217 CA SER A 15 -0.291 5.063 -15.992 1.00 0.00 C ATOM 218 C SER A 15 -1.784 4.733 -15.921 1.00 0.00 C ATOM 219 O SER A 15 -2.623 5.543 -16.260 1.00 0.00 O ATOM 220 CB SER A 15 0.145 5.146 -17.455 1.00 0.00 C ATOM 221 OG SER A 15 1.469 4.644 -17.579 1.00 0.00 O ATOM 0 H SER A 15 0.879 4.271 -14.394 1.00 0.00 H new ATOM 0 HA SER A 15 -0.111 6.021 -15.504 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.535 4.570 -18.082 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.101 6.178 -17.802 1.00 0.00 H new ATOM 0 HG SER A 15 1.751 4.694 -18.516 1.00 0.00 H new ATOM 227 N THR A 16 -2.124 3.548 -15.484 1.00 0.00 N ATOM 228 CA THR A 16 -3.565 3.172 -15.394 1.00 0.00 C ATOM 229 C THR A 16 -3.787 2.263 -14.182 1.00 0.00 C ATOM 230 O THR A 16 -4.906 1.966 -13.818 1.00 0.00 O ATOM 231 CB THR A 16 -3.985 2.433 -16.668 1.00 0.00 C ATOM 232 OG1 THR A 16 -4.592 1.198 -16.316 1.00 0.00 O ATOM 233 CG2 THR A 16 -2.757 2.169 -17.541 1.00 0.00 C ATOM 0 H THR A 16 -1.467 2.826 -15.186 1.00 0.00 H new ATOM 0 HA THR A 16 -4.164 4.076 -15.284 1.00 0.00 H new ATOM 0 HB THR A 16 -4.695 3.045 -17.224 1.00 0.00 H new ATOM 0 HG1 THR A 16 -4.863 0.723 -17.129 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.060 1.643 -18.446 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.292 3.117 -17.811 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.043 1.558 -16.989 1.00 0.00 H new ATOM 241 N MET A 17 -2.732 1.821 -13.551 1.00 0.00 N ATOM 242 CA MET A 17 -2.895 0.935 -12.365 1.00 0.00 C ATOM 243 C MET A 17 -3.586 1.712 -11.243 1.00 0.00 C ATOM 244 O MET A 17 -4.187 1.140 -10.355 1.00 0.00 O ATOM 245 CB MET A 17 -1.521 0.460 -11.888 1.00 0.00 C ATOM 246 CG MET A 17 -1.620 -0.027 -10.443 1.00 0.00 C ATOM 247 SD MET A 17 -0.209 -1.098 -10.069 1.00 0.00 S ATOM 248 CE MET A 17 -0.668 -1.495 -8.364 1.00 0.00 C ATOM 0 H MET A 17 -1.768 2.035 -13.805 1.00 0.00 H new ATOM 0 HA MET A 17 -3.501 0.071 -12.636 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.160 -0.344 -12.529 1.00 0.00 H new ATOM 0 HB3 MET A 17 -0.799 1.273 -11.960 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.635 0.824 -9.762 1.00 0.00 H new ATOM 0 HG3 MET A 17 -2.553 -0.571 -10.294 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.080 -2.159 -7.931 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.721 -0.577 -7.778 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.640 -1.989 -8.354 1.00 0.00 H new ATOM 258 N ARG A 18 -3.507 3.013 -11.278 1.00 0.00 N ATOM 259 CA ARG A 18 -4.161 3.830 -10.216 1.00 0.00 C ATOM 260 C ARG A 18 -5.670 3.791 -10.397 1.00 0.00 C ATOM 261 O ARG A 18 -6.403 3.327 -9.548 1.00 0.00 O ATOM 262 CB ARG A 18 -3.727 5.299 -10.300 1.00 0.00 C ATOM 263 CG ARG A 18 -3.025 5.595 -11.633 1.00 0.00 C ATOM 264 CD ARG A 18 -1.559 5.158 -11.555 1.00 0.00 C ATOM 265 NE ARG A 18 -0.761 6.215 -10.872 1.00 0.00 N ATOM 266 CZ ARG A 18 -0.594 7.380 -11.439 1.00 0.00 C ATOM 267 NH1 ARG A 18 -0.151 7.452 -12.664 1.00 0.00 N ATOM 268 NH2 ARG A 18 -0.871 8.472 -10.780 1.00 0.00 N ATOM 0 H ARG A 18 -3.018 3.547 -11.996 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.866 3.413 -9.253 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.598 5.945 -10.194 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.056 5.530 -9.473 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.528 5.069 -12.444 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.085 6.660 -11.858 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.477 4.217 -11.011 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.167 4.982 -12.557 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.344 6.029 -9.960 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.065 6.599 -13.179 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.021 8.362 -13.107 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.218 8.416 -9.822 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -0.741 9.382 -11.223 1.00 0.00 H new ATOM 282 N ARG A 19 -6.137 4.310 -11.491 1.00 0.00 N ATOM 283 CA ARG A 19 -7.597 4.345 -11.728 1.00 0.00 C ATOM 284 C ARG A 19 -8.216 2.981 -11.412 1.00 0.00 C ATOM 285 O ARG A 19 -9.419 2.849 -11.296 1.00 0.00 O ATOM 286 CB ARG A 19 -7.871 4.710 -13.187 1.00 0.00 C ATOM 287 CG ARG A 19 -9.096 5.623 -13.265 1.00 0.00 C ATOM 288 CD ARG A 19 -9.440 5.889 -14.732 1.00 0.00 C ATOM 289 NE ARG A 19 -10.466 6.967 -14.814 1.00 0.00 N ATOM 290 CZ ARG A 19 -11.554 6.890 -14.098 1.00 0.00 C ATOM 291 NH1 ARG A 19 -12.118 5.731 -13.890 1.00 0.00 N ATOM 292 NH2 ARG A 19 -12.078 7.971 -13.589 1.00 0.00 N ATOM 0 H ARG A 19 -5.566 4.713 -12.234 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.044 5.095 -11.076 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.003 5.211 -13.616 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.040 3.807 -13.773 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.943 5.158 -12.760 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.896 6.563 -12.751 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -8.544 6.182 -15.279 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.815 4.979 -15.200 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.317 7.766 -15.431 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -11.708 4.886 -14.287 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -12.969 5.671 -13.330 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.637 8.876 -13.751 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -12.929 7.911 -13.029 1.00 0.00 H new ATOM 306 N ILE A 20 -7.412 1.963 -11.276 1.00 0.00 N ATOM 307 CA ILE A 20 -7.966 0.614 -10.972 1.00 0.00 C ATOM 308 C ILE A 20 -8.240 0.497 -9.470 1.00 0.00 C ATOM 309 O ILE A 20 -9.311 0.096 -9.057 1.00 0.00 O ATOM 310 CB ILE A 20 -6.958 -0.459 -11.408 1.00 0.00 C ATOM 311 CG1 ILE A 20 -7.235 -0.845 -12.863 1.00 0.00 C ATOM 312 CG2 ILE A 20 -7.091 -1.702 -10.521 1.00 0.00 C ATOM 313 CD1 ILE A 20 -6.058 -1.654 -13.411 1.00 0.00 C ATOM 0 H ILE A 20 -6.397 2.007 -11.362 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.901 0.471 -11.514 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.948 -0.061 -11.312 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.153 -1.430 -12.926 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -7.386 0.051 -13.465 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -6.371 -2.456 -10.840 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.897 -1.431 -9.483 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.100 -2.105 -10.608 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.256 -1.928 -14.447 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.150 -1.054 -13.362 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.928 -2.557 -12.815 1.00 0.00 H new ATOM 325 N VAL A 21 -7.283 0.833 -8.649 1.00 0.00 N ATOM 326 CA VAL A 21 -7.503 0.726 -7.178 1.00 0.00 C ATOM 327 C VAL A 21 -8.423 1.856 -6.708 1.00 0.00 C ATOM 328 O VAL A 21 -9.138 1.719 -5.736 1.00 0.00 O ATOM 329 CB VAL A 21 -6.164 0.808 -6.444 1.00 0.00 C ATOM 330 CG1 VAL A 21 -5.876 -0.534 -5.768 1.00 0.00 C ATOM 331 CG2 VAL A 21 -5.048 1.123 -7.441 1.00 0.00 C ATOM 0 H VAL A 21 -6.364 1.175 -8.930 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.972 -0.233 -6.956 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.210 1.597 -5.693 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.922 -0.480 -5.243 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.669 -0.760 -5.056 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.831 -1.319 -6.523 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.095 1.181 -6.914 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.000 0.336 -8.194 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.253 2.077 -7.927 1.00 0.00 H new ATOM 341 N ARG A 22 -8.422 2.970 -7.394 1.00 0.00 N ATOM 342 CA ARG A 22 -9.310 4.094 -6.980 1.00 0.00 C ATOM 343 C ARG A 22 -10.750 3.590 -6.920 1.00 0.00 C ATOM 344 O ARG A 22 -11.432 3.727 -5.924 1.00 0.00 O ATOM 345 CB ARG A 22 -9.220 5.216 -8.012 1.00 0.00 C ATOM 346 CG ARG A 22 -8.440 6.395 -7.429 1.00 0.00 C ATOM 347 CD ARG A 22 -8.375 7.522 -8.461 1.00 0.00 C ATOM 348 NE ARG A 22 -7.866 8.763 -7.811 1.00 0.00 N ATOM 349 CZ ARG A 22 -8.497 9.893 -7.979 1.00 0.00 C ATOM 350 NH1 ARG A 22 -9.643 10.094 -7.386 1.00 0.00 N ATOM 351 NH2 ARG A 22 -7.985 10.822 -8.739 1.00 0.00 N ATOM 0 H ARG A 22 -7.848 3.148 -8.218 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.002 4.467 -6.003 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.728 4.854 -8.915 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.221 5.538 -8.301 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.922 6.749 -6.518 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.433 6.079 -7.155 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.722 7.237 -9.286 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.364 7.700 -8.884 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.025 8.729 -7.235 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.044 9.368 -6.792 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -10.137 10.977 -7.517 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.090 10.666 -9.203 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.480 11.705 -8.869 1.00 0.00 H new ATOM 365 N ASN A 23 -11.205 2.996 -7.985 1.00 0.00 N ATOM 366 CA ASN A 23 -12.581 2.463 -8.026 1.00 0.00 C ATOM 367 C ASN A 23 -12.716 1.373 -6.975 1.00 0.00 C ATOM 368 O ASN A 23 -13.532 1.446 -6.080 1.00 0.00 O ATOM 369 CB ASN A 23 -12.778 1.849 -9.398 1.00 0.00 C ATOM 370 CG ASN A 23 -14.127 2.277 -9.976 1.00 0.00 C ATOM 371 OD1 ASN A 23 -15.163 1.815 -9.540 1.00 0.00 O ATOM 372 ND2 ASN A 23 -14.159 3.147 -10.948 1.00 0.00 N ATOM 0 H ASN A 23 -10.667 2.858 -8.841 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.315 3.246 -7.835 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -11.973 2.161 -10.064 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -12.732 0.762 -9.329 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -15.053 3.439 -11.342 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -13.290 3.535 -11.314 1.00 0.00 H new ATOM 379 N LEU A 24 -11.908 0.362 -7.101 1.00 0.00 N ATOM 380 CA LEU A 24 -11.937 -0.774 -6.138 1.00 0.00 C ATOM 381 C LEU A 24 -12.123 -0.240 -4.710 1.00 0.00 C ATOM 382 O LEU A 24 -13.058 -0.598 -4.022 1.00 0.00 O ATOM 383 CB LEU A 24 -10.605 -1.518 -6.252 1.00 0.00 C ATOM 384 CG LEU A 24 -10.685 -2.907 -5.589 1.00 0.00 C ATOM 385 CD1 LEU A 24 -10.383 -3.993 -6.627 1.00 0.00 C ATOM 386 CD2 LEU A 24 -9.665 -3.021 -4.450 1.00 0.00 C ATOM 0 H LEU A 24 -11.215 0.272 -7.844 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.765 -1.446 -6.363 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.336 -1.628 -7.302 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.816 -0.932 -5.781 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.690 -3.037 -5.188 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.440 -4.974 -6.155 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.112 -3.936 -7.435 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.382 -3.843 -7.030 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.737 -4.009 -3.995 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.660 -2.876 -4.846 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.872 -2.259 -3.699 1.00 0.00 H new ATOM 398 N LEU A 25 -11.248 0.627 -4.267 1.00 0.00 N ATOM 399 CA LEU A 25 -11.388 1.198 -2.893 1.00 0.00 C ATOM 400 C LEU A 25 -12.770 1.839 -2.763 1.00 0.00 C ATOM 401 O LEU A 25 -13.423 1.729 -1.744 1.00 0.00 O ATOM 402 CB LEU A 25 -10.302 2.256 -2.674 1.00 0.00 C ATOM 403 CG LEU A 25 -9.055 1.596 -2.081 1.00 0.00 C ATOM 404 CD1 LEU A 25 -7.813 2.388 -2.494 1.00 0.00 C ATOM 405 CD2 LEU A 25 -9.163 1.583 -0.554 1.00 0.00 C ATOM 0 H LEU A 25 -10.444 0.964 -4.796 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.279 0.412 -2.146 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.055 2.740 -3.619 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.668 3.034 -2.004 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.975 0.574 -2.451 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.925 1.918 -2.072 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.735 2.401 -3.581 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.893 3.410 -2.124 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.275 1.113 -0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.243 2.606 -0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.048 1.021 -0.257 1.00 0.00 H new ATOM 417 N LYS A 26 -13.224 2.505 -3.791 1.00 0.00 N ATOM 418 CA LYS A 26 -14.562 3.144 -3.731 1.00 0.00 C ATOM 419 C LYS A 26 -15.628 2.063 -3.544 1.00 0.00 C ATOM 420 O LYS A 26 -16.466 2.146 -2.667 1.00 0.00 O ATOM 421 CB LYS A 26 -14.825 3.905 -5.032 1.00 0.00 C ATOM 422 CG LYS A 26 -15.407 5.282 -4.710 1.00 0.00 C ATOM 423 CD LYS A 26 -15.984 5.903 -5.984 1.00 0.00 C ATOM 424 CE LYS A 26 -16.604 7.261 -5.654 1.00 0.00 C ATOM 425 NZ LYS A 26 -18.061 7.232 -5.968 1.00 0.00 N ATOM 0 H LYS A 26 -12.722 2.632 -4.670 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.598 3.841 -2.894 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -13.899 4.013 -5.596 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -15.517 3.344 -5.660 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -16.185 5.191 -3.952 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -14.633 5.928 -4.296 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -15.199 6.022 -6.731 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -16.737 5.243 -6.414 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -16.453 7.495 -4.600 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -16.113 8.046 -6.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -18.483 8.156 -5.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -18.194 7.027 -6.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -18.524 6.493 -5.401 1.00 0.00 H new ATOM 439 N GLU A 27 -15.599 1.048 -4.361 1.00 0.00 N ATOM 440 CA GLU A 27 -16.597 -0.042 -4.239 1.00 0.00 C ATOM 441 C GLU A 27 -16.650 -0.511 -2.786 1.00 0.00 C ATOM 442 O GLU A 27 -17.697 -0.835 -2.263 1.00 0.00 O ATOM 443 CB GLU A 27 -16.189 -1.206 -5.142 1.00 0.00 C ATOM 444 CG GLU A 27 -16.811 -1.021 -6.528 1.00 0.00 C ATOM 445 CD GLU A 27 -15.943 -1.723 -7.575 1.00 0.00 C ATOM 446 OE1 GLU A 27 -15.803 -2.932 -7.486 1.00 0.00 O ATOM 447 OE2 GLU A 27 -15.433 -1.040 -8.448 1.00 0.00 O ATOM 0 H GLU A 27 -14.920 0.929 -5.113 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.580 0.320 -4.541 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.103 -1.254 -5.223 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -16.518 -2.150 -4.707 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -17.821 -1.431 -6.543 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -16.895 0.040 -6.762 1.00 0.00 H new ATOM 454 N LEU A 28 -15.523 -0.540 -2.131 1.00 0.00 N ATOM 455 CA LEU A 28 -15.500 -0.977 -0.708 1.00 0.00 C ATOM 456 C LEU A 28 -16.143 0.105 0.151 1.00 0.00 C ATOM 457 O LEU A 28 -17.145 -0.111 0.800 1.00 0.00 O ATOM 458 CB LEU A 28 -14.046 -1.185 -0.261 1.00 0.00 C ATOM 459 CG LEU A 28 -13.791 -2.666 0.043 1.00 0.00 C ATOM 460 CD1 LEU A 28 -14.677 -3.124 1.207 1.00 0.00 C ATOM 461 CD2 LEU A 28 -14.102 -3.504 -1.200 1.00 0.00 C ATOM 0 H LEU A 28 -14.617 -0.280 -2.520 1.00 0.00 H new ATOM 0 HA LEU A 28 -16.049 -1.912 -0.599 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -13.366 -0.844 -1.042 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -13.841 -0.584 0.625 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.745 -2.798 0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -14.489 -4.177 1.415 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -14.448 -2.532 2.093 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -15.725 -2.989 0.941 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.921 -4.557 -0.984 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -15.146 -3.366 -1.480 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.461 -3.187 -2.022 1.00 0.00 H new ATOM 473 N GLY A 29 -15.567 1.270 0.155 1.00 0.00 N ATOM 474 CA GLY A 29 -16.126 2.374 0.963 1.00 0.00 C ATOM 475 C GLY A 29 -15.010 3.348 1.342 1.00 0.00 C ATOM 476 O GLY A 29 -14.679 3.500 2.496 1.00 0.00 O ATOM 0 H GLY A 29 -14.726 1.503 -0.373 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.901 2.894 0.400 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.597 1.978 1.862 1.00 0.00 H new ATOM 480 N PHE A 30 -14.425 4.009 0.383 1.00 0.00 N ATOM 481 CA PHE A 30 -13.335 4.973 0.705 1.00 0.00 C ATOM 482 C PHE A 30 -13.331 6.095 -0.341 1.00 0.00 C ATOM 483 O PHE A 30 -13.672 5.876 -1.487 1.00 0.00 O ATOM 484 CB PHE A 30 -11.982 4.256 0.665 1.00 0.00 C ATOM 485 CG PHE A 30 -11.780 3.452 1.918 1.00 0.00 C ATOM 486 CD1 PHE A 30 -11.525 4.107 3.119 1.00 0.00 C ATOM 487 CD2 PHE A 30 -11.831 2.053 1.873 1.00 0.00 C ATOM 488 CE1 PHE A 30 -11.317 3.370 4.286 1.00 0.00 C ATOM 489 CE2 PHE A 30 -11.624 1.311 3.041 1.00 0.00 C ATOM 490 CZ PHE A 30 -11.366 1.971 4.249 1.00 0.00 C ATOM 0 H PHE A 30 -14.653 3.924 -0.608 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.501 5.386 1.700 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -11.935 3.602 -0.206 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -11.179 4.986 0.560 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.488 5.186 3.148 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -12.030 1.548 0.939 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.118 3.879 5.218 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.663 0.232 3.011 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.205 1.401 5.152 1.00 0.00 H new ATOM 500 N ASN A 31 -12.951 7.294 0.029 1.00 0.00 N ATOM 501 CA ASN A 31 -12.938 8.400 -0.975 1.00 0.00 C ATOM 502 C ASN A 31 -11.852 9.436 -0.645 1.00 0.00 C ATOM 503 O ASN A 31 -12.149 10.600 -0.458 1.00 0.00 O ATOM 504 CB ASN A 31 -14.303 9.091 -0.979 1.00 0.00 C ATOM 505 CG ASN A 31 -14.438 9.948 -2.239 1.00 0.00 C ATOM 506 OD1 ASN A 31 -13.382 10.188 -2.967 1.00 0.00 O flip ATOM 507 ND2 ASN A 31 -15.516 10.404 -2.565 1.00 0.00 N flip ATOM 0 H ASN A 31 -12.653 7.551 0.970 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.723 7.973 -1.955 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.099 8.347 -0.945 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.410 9.713 -0.090 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -16.342 10.217 -1.996 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -15.595 10.974 -3.407 1.00 0.00 H new ATOM 514 N ASN A 32 -10.601 9.046 -0.585 1.00 0.00 N ATOM 515 CA ASN A 32 -9.532 10.049 -0.275 1.00 0.00 C ATOM 516 C ASN A 32 -8.140 9.427 -0.444 1.00 0.00 C ATOM 517 O ASN A 32 -7.645 8.757 0.442 1.00 0.00 O ATOM 518 CB ASN A 32 -9.683 10.533 1.170 1.00 0.00 C ATOM 519 CG ASN A 32 -8.783 11.749 1.395 1.00 0.00 C ATOM 520 OD1 ASN A 32 -8.022 12.172 0.424 1.00 0.00 O flip ATOM 521 ND2 ASN A 32 -8.773 12.321 2.468 1.00 0.00 N flip ATOM 0 H ASN A 32 -10.276 8.091 -0.735 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.637 10.886 -0.966 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.722 10.794 1.371 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -9.415 9.735 1.862 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -9.368 11.991 3.228 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -8.170 13.131 2.608 1.00 0.00 H new ATOM 528 N VAL A 33 -7.491 9.658 -1.560 1.00 0.00 N ATOM 529 CA VAL A 33 -6.121 9.086 -1.754 1.00 0.00 C ATOM 530 C VAL A 33 -5.271 10.022 -2.611 1.00 0.00 C ATOM 531 O VAL A 33 -5.728 11.043 -3.084 1.00 0.00 O ATOM 532 CB VAL A 33 -6.201 7.712 -2.445 1.00 0.00 C ATOM 533 CG1 VAL A 33 -7.528 7.035 -2.113 1.00 0.00 C ATOM 534 CG2 VAL A 33 -6.090 7.868 -3.969 1.00 0.00 C ATOM 0 H VAL A 33 -7.847 10.213 -2.339 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.663 8.971 -0.772 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.374 7.101 -2.083 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.575 6.064 -2.606 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.607 6.898 -1.035 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.352 7.659 -2.461 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.148 6.887 -4.440 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.906 8.494 -4.331 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.137 8.334 -4.219 1.00 0.00 H new ATOM 544 N GLU A 34 -4.039 9.652 -2.836 1.00 0.00 N ATOM 545 CA GLU A 34 -3.147 10.481 -3.687 1.00 0.00 C ATOM 546 C GLU A 34 -2.274 9.535 -4.521 1.00 0.00 C ATOM 547 O GLU A 34 -2.447 8.333 -4.460 1.00 0.00 O ATOM 548 CB GLU A 34 -2.321 11.430 -2.803 1.00 0.00 C ATOM 549 CG GLU A 34 -0.996 10.797 -2.361 1.00 0.00 C ATOM 550 CD GLU A 34 0.119 11.095 -3.379 1.00 0.00 C ATOM 551 OE1 GLU A 34 -0.120 11.854 -4.303 1.00 0.00 O ATOM 552 OE2 GLU A 34 1.203 10.571 -3.208 1.00 0.00 O ATOM 0 H GLU A 34 -3.612 8.804 -2.463 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.718 11.111 -4.369 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.118 12.350 -3.350 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.903 11.704 -1.923 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.713 11.182 -1.382 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.120 9.719 -2.256 1.00 0.00 H new ATOM 559 N GLU A 35 -1.367 10.047 -5.313 1.00 0.00 N ATOM 560 CA GLU A 35 -0.535 9.143 -6.165 1.00 0.00 C ATOM 561 C GLU A 35 0.919 9.621 -6.237 1.00 0.00 C ATOM 562 O GLU A 35 1.220 10.785 -6.065 1.00 0.00 O ATOM 563 CB GLU A 35 -1.110 9.128 -7.584 1.00 0.00 C ATOM 564 CG GLU A 35 -2.307 8.178 -7.656 1.00 0.00 C ATOM 565 CD GLU A 35 -3.196 8.572 -8.835 1.00 0.00 C ATOM 566 OE1 GLU A 35 -3.857 9.593 -8.738 1.00 0.00 O ATOM 567 OE2 GLU A 35 -3.198 7.849 -9.816 1.00 0.00 O ATOM 0 H GLU A 35 -1.167 11.043 -5.407 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.554 8.147 -5.722 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.416 10.134 -7.871 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.343 8.814 -8.292 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.963 7.150 -7.773 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.876 8.220 -6.727 1.00 0.00 H new ATOM 574 N ALA A 36 1.815 8.711 -6.522 1.00 0.00 N ATOM 575 CA ALA A 36 3.259 9.067 -6.650 1.00 0.00 C ATOM 576 C ALA A 36 3.900 8.107 -7.656 1.00 0.00 C ATOM 577 O ALA A 36 3.219 7.330 -8.295 1.00 0.00 O ATOM 578 CB ALA A 36 3.952 8.941 -5.293 1.00 0.00 C ATOM 0 H ALA A 36 1.604 7.725 -6.673 1.00 0.00 H new ATOM 0 HA ALA A 36 3.363 10.096 -6.993 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.005 9.203 -5.397 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.479 9.615 -4.579 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.867 7.915 -4.935 1.00 0.00 H new ATOM 584 N GLU A 37 5.196 8.148 -7.819 1.00 0.00 N ATOM 585 CA GLU A 37 5.835 7.227 -8.802 1.00 0.00 C ATOM 586 C GLU A 37 7.278 6.910 -8.395 1.00 0.00 C ATOM 587 O GLU A 37 8.068 6.473 -9.206 1.00 0.00 O ATOM 588 CB GLU A 37 5.836 7.891 -10.178 1.00 0.00 C ATOM 589 CG GLU A 37 6.679 9.166 -10.129 1.00 0.00 C ATOM 590 CD GLU A 37 6.463 9.971 -11.411 1.00 0.00 C ATOM 591 OE1 GLU A 37 7.100 9.652 -12.402 1.00 0.00 O ATOM 592 OE2 GLU A 37 5.664 10.893 -11.382 1.00 0.00 O ATOM 0 H GLU A 37 5.832 8.771 -7.321 1.00 0.00 H new ATOM 0 HA GLU A 37 5.269 6.296 -8.829 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.238 7.205 -10.924 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.816 8.128 -10.480 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.403 9.764 -9.261 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.734 8.913 -10.019 1.00 0.00 H new ATOM 599 N ASP A 38 7.628 7.112 -7.153 1.00 0.00 N ATOM 600 CA ASP A 38 9.026 6.807 -6.719 1.00 0.00 C ATOM 601 C ASP A 38 9.139 6.996 -5.210 1.00 0.00 C ATOM 602 O ASP A 38 8.511 7.863 -4.642 1.00 0.00 O ATOM 603 CB ASP A 38 10.010 7.754 -7.415 1.00 0.00 C ATOM 604 CG ASP A 38 11.432 7.443 -6.944 1.00 0.00 C ATOM 605 OD1 ASP A 38 11.638 6.359 -6.422 1.00 0.00 O ATOM 606 OD2 ASP A 38 12.291 8.292 -7.114 1.00 0.00 O ATOM 0 H ASP A 38 7.013 7.472 -6.423 1.00 0.00 H new ATOM 0 HA ASP A 38 9.264 5.777 -6.986 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.940 7.639 -8.497 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.758 8.790 -7.188 1.00 0.00 H new ATOM 611 N GLY A 39 9.938 6.198 -4.557 1.00 0.00 N ATOM 612 CA GLY A 39 10.088 6.347 -3.082 1.00 0.00 C ATOM 613 C GLY A 39 10.302 7.821 -2.751 1.00 0.00 C ATOM 614 O GLY A 39 9.731 8.347 -1.817 1.00 0.00 O ATOM 0 H GLY A 39 10.491 5.452 -4.979 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.200 5.972 -2.573 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.932 5.755 -2.728 1.00 0.00 H new ATOM 618 N VAL A 40 11.108 8.500 -3.521 1.00 0.00 N ATOM 619 CA VAL A 40 11.337 9.944 -3.256 1.00 0.00 C ATOM 620 C VAL A 40 10.011 10.685 -3.429 1.00 0.00 C ATOM 621 O VAL A 40 9.728 11.649 -2.743 1.00 0.00 O ATOM 622 CB VAL A 40 12.365 10.494 -4.246 1.00 0.00 C ATOM 623 CG1 VAL A 40 12.271 12.020 -4.290 1.00 0.00 C ATOM 624 CG2 VAL A 40 13.772 10.084 -3.800 1.00 0.00 C ATOM 0 H VAL A 40 11.615 8.117 -4.319 1.00 0.00 H new ATOM 0 HA VAL A 40 11.714 10.082 -2.243 1.00 0.00 H new ATOM 0 HB VAL A 40 12.163 10.090 -5.238 1.00 0.00 H new ATOM 0 HG11 VAL A 40 13.004 12.410 -4.996 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.270 12.314 -4.607 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.471 12.426 -3.298 1.00 0.00 H new ATOM 0 HG21 VAL A 40 14.506 10.475 -4.505 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.971 10.488 -2.807 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.842 8.997 -3.770 1.00 0.00 H new ATOM 634 N ASP A 41 9.189 10.228 -4.334 1.00 0.00 N ATOM 635 CA ASP A 41 7.877 10.887 -4.550 1.00 0.00 C ATOM 636 C ASP A 41 6.961 10.544 -3.379 1.00 0.00 C ATOM 637 O ASP A 41 6.327 11.404 -2.800 1.00 0.00 O ATOM 638 CB ASP A 41 7.268 10.371 -5.850 1.00 0.00 C ATOM 639 CG ASP A 41 6.229 11.370 -6.364 1.00 0.00 C ATOM 640 OD1 ASP A 41 5.737 12.147 -5.562 1.00 0.00 O ATOM 641 OD2 ASP A 41 5.945 11.341 -7.549 1.00 0.00 O ATOM 0 H ASP A 41 9.374 9.424 -4.933 1.00 0.00 H new ATOM 0 HA ASP A 41 8.001 11.968 -4.615 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.049 10.227 -6.597 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.802 9.400 -5.684 1.00 0.00 H new ATOM 646 N ALA A 42 6.896 9.292 -3.018 1.00 0.00 N ATOM 647 CA ALA A 42 6.035 8.898 -1.877 1.00 0.00 C ATOM 648 C ALA A 42 6.478 9.666 -0.638 1.00 0.00 C ATOM 649 O ALA A 42 5.678 10.229 0.065 1.00 0.00 O ATOM 650 CB ALA A 42 6.184 7.402 -1.615 1.00 0.00 C ATOM 0 H ALA A 42 7.403 8.528 -3.466 1.00 0.00 H new ATOM 0 HA ALA A 42 4.994 9.124 -2.108 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.550 7.115 -0.776 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.885 6.845 -2.503 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.224 7.176 -1.379 1.00 0.00 H new ATOM 656 N LEU A 43 7.753 9.683 -0.367 1.00 0.00 N ATOM 657 CA LEU A 43 8.260 10.407 0.835 1.00 0.00 C ATOM 658 C LEU A 43 7.683 11.826 0.865 1.00 0.00 C ATOM 659 O LEU A 43 7.163 12.275 1.868 1.00 0.00 O ATOM 660 CB LEU A 43 9.797 10.462 0.764 1.00 0.00 C ATOM 661 CG LEU A 43 10.401 11.290 1.925 1.00 0.00 C ATOM 662 CD1 LEU A 43 10.214 12.799 1.696 1.00 0.00 C ATOM 663 CD2 LEU A 43 9.746 10.899 3.253 1.00 0.00 C ATOM 0 H LEU A 43 8.471 9.225 -0.929 1.00 0.00 H new ATOM 0 HA LEU A 43 7.953 9.887 1.742 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.198 9.449 0.794 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.101 10.897 -0.188 1.00 0.00 H new ATOM 0 HG LEU A 43 11.468 11.073 1.961 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.649 13.350 2.530 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.709 13.091 0.770 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.150 13.027 1.626 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.180 11.489 4.060 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.674 11.090 3.200 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.917 9.840 3.445 1.00 0.00 H new ATOM 675 N ASN A 44 7.789 12.540 -0.219 1.00 0.00 N ATOM 676 CA ASN A 44 7.270 13.939 -0.254 1.00 0.00 C ATOM 677 C ASN A 44 5.790 13.987 0.140 1.00 0.00 C ATOM 678 O ASN A 44 5.353 14.892 0.824 1.00 0.00 O ATOM 679 CB ASN A 44 7.434 14.496 -1.670 1.00 0.00 C ATOM 680 CG ASN A 44 8.742 15.284 -1.763 1.00 0.00 C ATOM 681 OD1 ASN A 44 8.953 16.223 -1.022 1.00 0.00 O ATOM 682 ND2 ASN A 44 9.635 14.939 -2.650 1.00 0.00 N ATOM 0 H ASN A 44 8.214 12.216 -1.087 1.00 0.00 H new ATOM 0 HA ASN A 44 7.835 14.539 0.459 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.436 13.681 -2.394 1.00 0.00 H new ATOM 0 HB3 ASN A 44 6.591 15.141 -1.918 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.510 15.458 -2.721 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.458 14.150 -3.272 1.00 0.00 H new ATOM 689 N LYS A 45 5.009 13.045 -0.305 1.00 0.00 N ATOM 690 CA LYS A 45 3.552 13.066 0.028 1.00 0.00 C ATOM 691 C LYS A 45 3.273 12.303 1.328 1.00 0.00 C ATOM 692 O LYS A 45 2.307 12.566 2.012 1.00 0.00 O ATOM 693 CB LYS A 45 2.768 12.420 -1.116 1.00 0.00 C ATOM 694 CG LYS A 45 2.343 13.498 -2.116 1.00 0.00 C ATOM 695 CD LYS A 45 3.583 14.233 -2.632 1.00 0.00 C ATOM 696 CE LYS A 45 3.350 14.675 -4.078 1.00 0.00 C ATOM 697 NZ LYS A 45 1.972 15.226 -4.215 1.00 0.00 N ATOM 0 H LYS A 45 5.312 12.262 -0.884 1.00 0.00 H new ATOM 0 HA LYS A 45 3.241 14.102 0.164 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.382 11.669 -1.613 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.890 11.906 -0.725 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.803 13.045 -2.948 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.661 14.203 -1.640 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.792 15.100 -2.005 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.455 13.581 -2.576 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.084 15.429 -4.361 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.484 13.830 -4.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.953 15.926 -4.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.310 14.454 -4.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.691 15.683 -3.324 1.00 0.00 H new ATOM 711 N LEU A 46 4.096 11.357 1.673 1.00 0.00 N ATOM 712 CA LEU A 46 3.854 10.577 2.920 1.00 0.00 C ATOM 713 C LEU A 46 3.820 11.534 4.116 1.00 0.00 C ATOM 714 O LEU A 46 3.311 11.206 5.171 1.00 0.00 O ATOM 715 CB LEU A 46 4.989 9.559 3.121 1.00 0.00 C ATOM 716 CG LEU A 46 4.451 8.118 3.093 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.464 7.900 4.239 1.00 0.00 C ATOM 718 CD2 LEU A 46 3.740 7.841 1.765 1.00 0.00 C ATOM 0 H LEU A 46 4.927 11.088 1.147 1.00 0.00 H new ATOM 0 HA LEU A 46 2.903 10.051 2.839 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.738 9.686 2.340 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.486 9.747 4.073 1.00 0.00 H new ATOM 0 HG LEU A 46 5.295 7.437 3.203 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.091 6.876 4.208 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.967 8.074 5.190 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.629 8.594 4.137 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.365 6.818 1.760 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.907 8.534 1.647 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.442 7.974 0.942 1.00 0.00 H new ATOM 730 N GLN A 47 4.368 12.710 3.962 1.00 0.00 N ATOM 731 CA GLN A 47 4.381 13.686 5.090 1.00 0.00 C ATOM 732 C GLN A 47 3.202 14.655 4.962 1.00 0.00 C ATOM 733 O GLN A 47 2.966 15.468 5.832 1.00 0.00 O ATOM 734 CB GLN A 47 5.690 14.478 5.060 1.00 0.00 C ATOM 735 CG GLN A 47 5.684 15.519 6.183 1.00 0.00 C ATOM 736 CD GLN A 47 7.101 15.682 6.735 1.00 0.00 C ATOM 737 OE1 GLN A 47 7.404 15.207 7.811 1.00 0.00 O ATOM 738 NE2 GLN A 47 7.988 16.339 6.038 1.00 0.00 N ATOM 0 H GLN A 47 4.808 13.037 3.102 1.00 0.00 H new ATOM 0 HA GLN A 47 4.297 13.143 6.031 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.538 13.804 5.180 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.808 14.970 4.094 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.317 16.474 5.806 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.006 15.208 6.978 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.733 16.738 5.134 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.936 16.454 6.397 1.00 0.00 H new ATOM 747 N ALA A 48 2.463 14.582 3.886 1.00 0.00 N ATOM 748 CA ALA A 48 1.307 15.506 3.714 1.00 0.00 C ATOM 749 C ALA A 48 0.497 15.550 5.011 1.00 0.00 C ATOM 750 O ALA A 48 0.381 16.579 5.650 1.00 0.00 O ATOM 751 CB ALA A 48 0.415 15.014 2.573 1.00 0.00 C ATOM 0 H ALA A 48 2.611 13.923 3.121 1.00 0.00 H new ATOM 0 HA ALA A 48 1.675 16.504 3.476 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.429 15.693 2.452 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.991 14.982 1.648 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.046 14.015 2.805 1.00 0.00 H new ATOM 757 N GLY A 49 -0.061 14.440 5.407 1.00 0.00 N ATOM 758 CA GLY A 49 -0.860 14.410 6.665 1.00 0.00 C ATOM 759 C GLY A 49 -0.699 13.047 7.339 1.00 0.00 C ATOM 760 O GLY A 49 -1.383 12.729 8.290 1.00 0.00 O ATOM 0 H GLY A 49 0.002 13.550 4.913 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.529 15.201 7.337 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.911 14.597 6.445 1.00 0.00 H new ATOM 764 N GLY A 50 0.198 12.233 6.848 1.00 0.00 N ATOM 765 CA GLY A 50 0.394 10.888 7.455 1.00 0.00 C ATOM 766 C GLY A 50 -0.625 9.928 6.856 1.00 0.00 C ATOM 767 O GLY A 50 -1.626 9.605 7.465 1.00 0.00 O ATOM 0 H GLY A 50 0.802 12.443 6.053 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.406 10.532 7.264 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.273 10.941 8.537 1.00 0.00 H new ATOM 771 N TYR A 51 -0.387 9.481 5.658 1.00 0.00 N ATOM 772 CA TYR A 51 -1.345 8.557 5.006 1.00 0.00 C ATOM 773 C TYR A 51 -1.559 7.333 5.885 1.00 0.00 C ATOM 774 O TYR A 51 -0.662 6.545 6.112 1.00 0.00 O ATOM 775 CB TYR A 51 -0.802 8.151 3.639 1.00 0.00 C ATOM 776 CG TYR A 51 -1.111 9.263 2.673 1.00 0.00 C ATOM 777 CD1 TYR A 51 -0.306 10.406 2.647 1.00 0.00 C ATOM 778 CD2 TYR A 51 -2.227 9.169 1.836 1.00 0.00 C ATOM 779 CE1 TYR A 51 -0.615 11.456 1.778 1.00 0.00 C ATOM 780 CE2 TYR A 51 -2.542 10.224 0.974 1.00 0.00 C ATOM 781 CZ TYR A 51 -1.735 11.368 0.946 1.00 0.00 C ATOM 782 OH TYR A 51 -2.047 12.414 0.103 1.00 0.00 O ATOM 0 H TYR A 51 0.434 9.718 5.101 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.305 9.055 4.871 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.273 7.978 3.691 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.260 7.219 3.308 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.553 10.477 3.297 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.845 8.283 1.855 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.011 12.335 1.749 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.407 10.157 0.331 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.278 13.017 0.032 1.00 0.00 H new ATOM 792 N GLY A 52 -2.749 7.176 6.387 1.00 0.00 N ATOM 793 CA GLY A 52 -3.043 6.015 7.261 1.00 0.00 C ATOM 794 C GLY A 52 -2.927 4.729 6.452 1.00 0.00 C ATOM 795 O GLY A 52 -3.167 3.650 6.950 1.00 0.00 O ATOM 0 H GLY A 52 -3.534 7.807 6.227 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.348 5.993 8.101 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.046 6.105 7.679 1.00 0.00 H new ATOM 799 N PHE A 53 -2.566 4.826 5.204 1.00 0.00 N ATOM 800 CA PHE A 53 -2.437 3.588 4.391 1.00 0.00 C ATOM 801 C PHE A 53 -1.625 3.887 3.123 1.00 0.00 C ATOM 802 O PHE A 53 -1.794 4.916 2.497 1.00 0.00 O ATOM 803 CB PHE A 53 -3.837 3.109 3.999 1.00 0.00 C ATOM 804 CG PHE A 53 -4.009 1.607 4.173 1.00 0.00 C ATOM 805 CD1 PHE A 53 -2.951 0.705 3.956 1.00 0.00 C ATOM 806 CD2 PHE A 53 -5.264 1.119 4.545 1.00 0.00 C ATOM 807 CE1 PHE A 53 -3.165 -0.667 4.118 1.00 0.00 C ATOM 808 CE2 PHE A 53 -5.474 -0.249 4.704 1.00 0.00 C ATOM 809 CZ PHE A 53 -4.424 -1.145 4.492 1.00 0.00 C ATOM 0 H PHE A 53 -2.357 5.698 4.717 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.927 2.817 4.969 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.578 3.629 4.606 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.031 3.376 2.960 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.977 1.071 3.665 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -6.079 1.808 4.711 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.354 -1.361 3.953 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.448 -0.616 4.991 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.585 -2.206 4.617 1.00 0.00 H new ATOM 819 N VAL A 54 -0.750 2.997 2.735 1.00 0.00 N ATOM 820 CA VAL A 54 0.061 3.234 1.500 1.00 0.00 C ATOM 821 C VAL A 54 0.123 1.946 0.673 1.00 0.00 C ATOM 822 O VAL A 54 0.652 0.945 1.110 1.00 0.00 O ATOM 823 CB VAL A 54 1.478 3.665 1.889 1.00 0.00 C ATOM 824 CG1 VAL A 54 2.278 3.995 0.626 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.407 4.907 2.781 1.00 0.00 C ATOM 0 H VAL A 54 -0.561 2.118 3.217 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.404 4.022 0.908 1.00 0.00 H new ATOM 0 HB VAL A 54 1.967 2.854 2.429 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.286 4.302 0.904 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.330 3.113 -0.013 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.788 4.805 0.086 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.415 5.214 3.058 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.917 5.716 2.240 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.838 4.676 3.681 1.00 0.00 H new ATOM 835 N ILE A 55 -0.418 1.970 -0.520 1.00 0.00 N ATOM 836 CA ILE A 55 -0.399 0.755 -1.389 1.00 0.00 C ATOM 837 C ILE A 55 0.664 0.922 -2.480 1.00 0.00 C ATOM 838 O ILE A 55 0.444 1.584 -3.474 1.00 0.00 O ATOM 839 CB ILE A 55 -1.771 0.582 -2.044 1.00 0.00 C ATOM 840 CG1 ILE A 55 -2.864 0.739 -0.986 1.00 0.00 C ATOM 841 CG2 ILE A 55 -1.867 -0.810 -2.671 1.00 0.00 C ATOM 842 CD1 ILE A 55 -4.215 0.335 -1.581 1.00 0.00 C ATOM 0 H ILE A 55 -0.874 2.785 -0.931 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.165 -0.121 -0.784 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.901 1.339 -2.818 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.637 0.119 -0.119 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.902 1.771 -0.638 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.845 -0.932 -3.137 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.088 -0.924 -3.425 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.737 -1.567 -1.898 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.993 0.447 -0.826 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.442 0.974 -2.434 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.173 -0.704 -1.907 1.00 0.00 H new ATOM 854 N SER A 56 1.815 0.331 -2.297 1.00 0.00 N ATOM 855 CA SER A 56 2.900 0.458 -3.317 1.00 0.00 C ATOM 856 C SER A 56 3.111 -0.883 -4.024 1.00 0.00 C ATOM 857 O SER A 56 2.793 -1.929 -3.500 1.00 0.00 O ATOM 858 CB SER A 56 4.193 0.870 -2.617 1.00 0.00 C ATOM 859 OG SER A 56 4.409 0.025 -1.494 1.00 0.00 O ATOM 0 H SER A 56 2.052 -0.236 -1.483 1.00 0.00 H new ATOM 0 HA SER A 56 2.619 1.209 -4.055 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.033 0.798 -3.308 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.132 1.910 -2.297 1.00 0.00 H new ATOM 0 HG SER A 56 4.145 -0.892 -1.719 1.00 0.00 H new ATOM 865 N ASP A 57 3.652 -0.862 -5.211 1.00 0.00 N ATOM 866 CA ASP A 57 3.889 -2.139 -5.942 1.00 0.00 C ATOM 867 C ASP A 57 5.297 -2.644 -5.620 1.00 0.00 C ATOM 868 O ASP A 57 6.135 -1.907 -5.139 1.00 0.00 O ATOM 869 CB ASP A 57 3.768 -1.898 -7.448 1.00 0.00 C ATOM 870 CG ASP A 57 4.157 -3.173 -8.200 1.00 0.00 C ATOM 871 OD1 ASP A 57 3.375 -4.108 -8.185 1.00 0.00 O ATOM 872 OD2 ASP A 57 5.231 -3.190 -8.779 1.00 0.00 O ATOM 0 H ASP A 57 3.940 -0.018 -5.706 1.00 0.00 H new ATOM 0 HA ASP A 57 3.151 -2.880 -5.635 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.747 -1.611 -7.701 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.415 -1.074 -7.749 1.00 0.00 H new ATOM 877 N TRP A 58 5.565 -3.893 -5.883 1.00 0.00 N ATOM 878 CA TRP A 58 6.919 -4.447 -5.594 1.00 0.00 C ATOM 879 C TRP A 58 7.767 -4.412 -6.868 1.00 0.00 C ATOM 880 O TRP A 58 7.508 -5.125 -7.817 1.00 0.00 O ATOM 881 CB TRP A 58 6.775 -5.894 -5.118 1.00 0.00 C ATOM 882 CG TRP A 58 8.059 -6.364 -4.512 1.00 0.00 C ATOM 883 CD1 TRP A 58 9.061 -6.972 -5.186 1.00 0.00 C ATOM 884 CD2 TRP A 58 8.488 -6.286 -3.123 1.00 0.00 C ATOM 885 NE1 TRP A 58 10.079 -7.273 -4.299 1.00 0.00 N ATOM 886 CE2 TRP A 58 9.772 -6.870 -3.014 1.00 0.00 C ATOM 887 CE3 TRP A 58 7.894 -5.770 -1.958 1.00 0.00 C ATOM 888 CZ2 TRP A 58 10.444 -6.941 -1.791 1.00 0.00 C ATOM 889 CZ3 TRP A 58 8.565 -5.840 -0.727 1.00 0.00 C ATOM 890 CH2 TRP A 58 9.837 -6.424 -0.642 1.00 0.00 C ATOM 0 H TRP A 58 4.903 -4.556 -6.287 1.00 0.00 H new ATOM 0 HA TRP A 58 7.404 -3.851 -4.821 1.00 0.00 H new ATOM 0 HB2 TRP A 58 5.970 -5.966 -4.386 1.00 0.00 H new ATOM 0 HB3 TRP A 58 6.503 -6.536 -5.956 1.00 0.00 H new ATOM 0 HD1 TRP A 58 9.066 -7.188 -6.244 1.00 0.00 H new ATOM 0 HE1 TRP A 58 10.949 -7.736 -4.562 1.00 0.00 H new ATOM 0 HE3 TRP A 58 6.915 -5.317 -2.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 11.424 -7.391 -1.733 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 8.098 -5.441 0.161 1.00 0.00 H new ATOM 0 HH2 TRP A 58 10.347 -6.474 0.309 1.00 0.00 H new ATOM 901 N ASN A 59 8.779 -3.590 -6.895 1.00 0.00 N ATOM 902 CA ASN A 59 9.645 -3.511 -8.104 1.00 0.00 C ATOM 903 C ASN A 59 8.900 -2.782 -9.227 1.00 0.00 C ATOM 904 O ASN A 59 8.123 -3.366 -9.956 1.00 0.00 O ATOM 905 CB ASN A 59 10.019 -4.925 -8.561 1.00 0.00 C ATOM 906 CG ASN A 59 11.433 -4.915 -9.144 1.00 0.00 C ATOM 907 OD1 ASN A 59 11.729 -4.143 -10.035 1.00 0.00 O ATOM 908 ND2 ASN A 59 12.325 -5.744 -8.676 1.00 0.00 N ATOM 0 H ASN A 59 9.044 -2.969 -6.131 1.00 0.00 H new ATOM 0 HA ASN A 59 10.554 -2.959 -7.862 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.966 -5.617 -7.720 1.00 0.00 H new ATOM 0 HB3 ASN A 59 9.308 -5.277 -9.309 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.271 -5.744 -9.058 1.00 0.00 H new ATOM 0 HD22 ASN A 59 12.077 -6.392 -7.928 1.00 0.00 H new ATOM 915 N MET A 60 9.140 -1.507 -9.374 1.00 0.00 N ATOM 916 CA MET A 60 8.462 -0.727 -10.450 1.00 0.00 C ATOM 917 C MET A 60 8.861 0.757 -10.364 1.00 0.00 C ATOM 918 O MET A 60 9.260 1.325 -11.361 1.00 0.00 O ATOM 919 CB MET A 60 6.936 -0.866 -10.348 1.00 0.00 C ATOM 920 CG MET A 60 6.399 -1.532 -11.617 1.00 0.00 C ATOM 921 SD MET A 60 4.593 -1.630 -11.528 1.00 0.00 S ATOM 922 CE MET A 60 4.438 -3.371 -11.995 1.00 0.00 C ATOM 0 H MET A 60 9.781 -0.968 -8.791 1.00 0.00 H new ATOM 0 HA MET A 60 8.781 -1.127 -11.412 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.672 -1.460 -9.473 1.00 0.00 H new ATOM 0 HB3 MET A 60 6.479 0.115 -10.218 1.00 0.00 H new ATOM 0 HG2 MET A 60 6.700 -0.961 -12.496 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.823 -2.530 -11.724 1.00 0.00 H new ATOM 0 HE1 MET A 60 3.385 -3.653 -12.005 1.00 0.00 H new ATOM 0 HE2 MET A 60 4.863 -3.521 -12.988 1.00 0.00 H new ATOM 0 HE3 MET A 60 4.973 -3.990 -11.274 1.00 0.00 H new ATOM 932 N PRO A 61 8.755 1.364 -9.193 1.00 0.00 N ATOM 933 CA PRO A 61 9.123 2.784 -9.043 1.00 0.00 C ATOM 934 C PRO A 61 10.628 2.948 -9.259 1.00 0.00 C ATOM 935 O PRO A 61 11.072 3.531 -10.229 1.00 0.00 O ATOM 936 CB PRO A 61 8.753 3.142 -7.598 1.00 0.00 C ATOM 937 CG PRO A 61 8.175 1.872 -6.929 1.00 0.00 C ATOM 938 CD PRO A 61 8.274 0.724 -7.945 1.00 0.00 C ATOM 0 HA PRO A 61 8.615 3.425 -9.763 1.00 0.00 H new ATOM 0 HB2 PRO A 61 9.630 3.494 -7.055 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.021 3.950 -7.580 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.731 1.630 -6.023 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.138 2.033 -6.634 1.00 0.00 H new ATOM 0 HD2 PRO A 61 8.965 -0.047 -7.604 1.00 0.00 H new ATOM 0 HD3 PRO A 61 7.307 0.243 -8.094 1.00 0.00 H new ATOM 946 N ASN A 62 11.415 2.426 -8.360 1.00 0.00 N ATOM 947 CA ASN A 62 12.894 2.531 -8.496 1.00 0.00 C ATOM 948 C ASN A 62 13.541 1.369 -7.742 1.00 0.00 C ATOM 949 O ASN A 62 13.278 1.153 -6.577 1.00 0.00 O ATOM 950 CB ASN A 62 13.371 3.859 -7.904 1.00 0.00 C ATOM 951 CG ASN A 62 13.382 3.766 -6.377 1.00 0.00 C ATOM 952 OD1 ASN A 62 14.368 3.371 -5.788 1.00 0.00 O ATOM 953 ND2 ASN A 62 12.319 4.117 -5.706 1.00 0.00 N ATOM 0 H ASN A 62 11.094 1.927 -7.530 1.00 0.00 H new ATOM 0 HA ASN A 62 13.174 2.491 -9.549 1.00 0.00 H new ATOM 0 HB2 ASN A 62 14.370 4.094 -8.271 1.00 0.00 H new ATOM 0 HB3 ASN A 62 12.715 4.668 -8.224 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.317 4.060 -4.688 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.491 4.449 -6.200 1.00 0.00 H new ATOM 960 N MET A 63 14.378 0.612 -8.399 1.00 0.00 N ATOM 961 CA MET A 63 15.033 -0.544 -7.719 1.00 0.00 C ATOM 962 C MET A 63 13.959 -1.446 -7.104 1.00 0.00 C ATOM 963 O MET A 63 13.517 -2.403 -7.708 1.00 0.00 O ATOM 964 CB MET A 63 15.970 -0.038 -6.619 1.00 0.00 C ATOM 965 CG MET A 63 17.362 0.201 -7.205 1.00 0.00 C ATOM 966 SD MET A 63 18.440 0.903 -5.932 1.00 0.00 S ATOM 967 CE MET A 63 19.713 -0.381 -5.982 1.00 0.00 C ATOM 0 H MET A 63 14.637 0.743 -9.377 1.00 0.00 H new ATOM 0 HA MET A 63 15.613 -1.110 -8.448 1.00 0.00 H new ATOM 0 HB2 MET A 63 15.580 0.886 -6.191 1.00 0.00 H new ATOM 0 HB3 MET A 63 16.025 -0.766 -5.810 1.00 0.00 H new ATOM 0 HG2 MET A 63 17.779 -0.736 -7.573 1.00 0.00 H new ATOM 0 HG3 MET A 63 17.298 0.878 -8.057 1.00 0.00 H new ATOM 0 HE1 MET A 63 20.495 -0.146 -5.260 1.00 0.00 H new ATOM 0 HE2 MET A 63 19.268 -1.345 -5.734 1.00 0.00 H new ATOM 0 HE3 MET A 63 20.144 -0.427 -6.982 1.00 0.00 H new ATOM 977 N ASP A 64 13.533 -1.145 -5.908 1.00 0.00 N ATOM 978 CA ASP A 64 12.484 -1.977 -5.253 1.00 0.00 C ATOM 979 C ASP A 64 11.644 -1.090 -4.333 1.00 0.00 C ATOM 980 O ASP A 64 12.148 -0.173 -3.715 1.00 0.00 O ATOM 981 CB ASP A 64 13.149 -3.084 -4.435 1.00 0.00 C ATOM 982 CG ASP A 64 12.814 -4.445 -5.049 1.00 0.00 C ATOM 983 OD1 ASP A 64 11.677 -4.866 -4.926 1.00 0.00 O ATOM 984 OD2 ASP A 64 13.704 -5.043 -5.632 1.00 0.00 O ATOM 0 H ASP A 64 13.867 -0.356 -5.354 1.00 0.00 H new ATOM 0 HA ASP A 64 11.843 -2.427 -6.011 1.00 0.00 H new ATOM 0 HB2 ASP A 64 14.229 -2.938 -4.416 1.00 0.00 H new ATOM 0 HB3 ASP A 64 12.804 -3.045 -3.402 1.00 0.00 H new ATOM 989 N GLY A 65 10.366 -1.343 -4.238 1.00 0.00 N ATOM 990 CA GLY A 65 9.511 -0.495 -3.360 1.00 0.00 C ATOM 991 C GLY A 65 9.918 -0.692 -1.896 1.00 0.00 C ATOM 992 O GLY A 65 9.328 -0.123 -0.999 1.00 0.00 O ATOM 0 H GLY A 65 9.880 -2.095 -4.727 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.615 0.554 -3.638 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.462 -0.758 -3.494 1.00 0.00 H new ATOM 996 N LEU A 66 10.919 -1.496 -1.642 1.00 0.00 N ATOM 997 CA LEU A 66 11.349 -1.721 -0.231 1.00 0.00 C ATOM 998 C LEU A 66 11.943 -0.431 0.337 1.00 0.00 C ATOM 999 O LEU A 66 11.411 0.144 1.264 1.00 0.00 O ATOM 1000 CB LEU A 66 12.397 -2.836 -0.173 1.00 0.00 C ATOM 1001 CG LEU A 66 12.013 -3.833 0.923 1.00 0.00 C ATOM 1002 CD1 LEU A 66 13.070 -4.935 1.011 1.00 0.00 C ATOM 1003 CD2 LEU A 66 11.924 -3.106 2.268 1.00 0.00 C ATOM 0 H LEU A 66 11.454 -2.003 -2.347 1.00 0.00 H new ATOM 0 HA LEU A 66 10.483 -2.015 0.361 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.460 -3.343 -1.136 1.00 0.00 H new ATOM 0 HB3 LEU A 66 13.382 -2.415 0.031 1.00 0.00 H new ATOM 0 HG LEU A 66 11.047 -4.276 0.683 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.793 -5.643 1.792 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.133 -5.456 0.055 1.00 0.00 H new ATOM 0 HD13 LEU A 66 14.038 -4.493 1.248 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.650 -3.816 3.048 1.00 0.00 H new ATOM 0 HD22 LEU A 66 12.890 -2.660 2.505 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.168 -2.323 2.209 1.00 0.00 H new ATOM 1015 N GLU A 67 13.037 0.032 -0.213 1.00 0.00 N ATOM 1016 CA GLU A 67 13.649 1.292 0.299 1.00 0.00 C ATOM 1017 C GLU A 67 12.546 2.333 0.470 1.00 0.00 C ATOM 1018 O GLU A 67 12.580 3.159 1.359 1.00 0.00 O ATOM 1019 CB GLU A 67 14.688 1.805 -0.700 1.00 0.00 C ATOM 1020 CG GLU A 67 15.978 2.156 0.043 1.00 0.00 C ATOM 1021 CD GLU A 67 16.955 2.827 -0.923 1.00 0.00 C ATOM 1022 OE1 GLU A 67 17.397 2.160 -1.844 1.00 0.00 O ATOM 1023 OE2 GLU A 67 17.245 3.995 -0.724 1.00 0.00 O ATOM 0 H GLU A 67 13.530 -0.407 -0.991 1.00 0.00 H new ATOM 0 HA GLU A 67 14.139 1.106 1.254 1.00 0.00 H new ATOM 0 HB2 GLU A 67 14.886 1.046 -1.457 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.305 2.683 -1.221 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.760 2.822 0.878 1.00 0.00 H new ATOM 0 HG3 GLU A 67 16.426 1.255 0.463 1.00 0.00 H new ATOM 1030 N LEU A 68 11.555 2.274 -0.374 1.00 0.00 N ATOM 1031 CA LEU A 68 10.418 3.227 -0.279 1.00 0.00 C ATOM 1032 C LEU A 68 9.660 2.931 1.017 1.00 0.00 C ATOM 1033 O LEU A 68 9.439 3.800 1.835 1.00 0.00 O ATOM 1034 CB LEU A 68 9.532 3.020 -1.516 1.00 0.00 C ATOM 1035 CG LEU A 68 8.040 3.119 -1.184 1.00 0.00 C ATOM 1036 CD1 LEU A 68 7.739 4.445 -0.488 1.00 0.00 C ATOM 1037 CD2 LEU A 68 7.246 3.048 -2.491 1.00 0.00 C ATOM 0 H LEU A 68 11.485 1.598 -1.134 1.00 0.00 H new ATOM 0 HA LEU A 68 10.748 4.266 -0.255 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.785 3.765 -2.270 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.741 2.043 -1.951 1.00 0.00 H new ATOM 0 HG LEU A 68 7.761 2.301 -0.520 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.675 4.502 -0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.314 4.510 0.436 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.013 5.271 -1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.180 3.117 -2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.538 3.874 -3.140 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.454 2.102 -2.992 1.00 0.00 H new ATOM 1049 N LEU A 69 9.292 1.696 1.217 1.00 0.00 N ATOM 1050 CA LEU A 69 8.583 1.307 2.470 1.00 0.00 C ATOM 1051 C LEU A 69 9.481 1.663 3.653 1.00 0.00 C ATOM 1052 O LEU A 69 9.133 2.452 4.512 1.00 0.00 O ATOM 1053 CB LEU A 69 8.372 -0.204 2.445 1.00 0.00 C ATOM 1054 CG LEU A 69 6.934 -0.569 2.835 1.00 0.00 C ATOM 1055 CD1 LEU A 69 6.700 -2.060 2.598 1.00 0.00 C ATOM 1056 CD2 LEU A 69 6.707 -0.289 4.320 1.00 0.00 C ATOM 0 H LEU A 69 9.453 0.932 0.560 1.00 0.00 H new ATOM 0 HA LEU A 69 7.625 1.821 2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.590 -0.588 1.448 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.071 -0.683 3.131 1.00 0.00 H new ATOM 0 HG LEU A 69 6.251 0.027 2.230 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.678 -2.317 2.876 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.858 -2.290 1.544 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.397 -2.639 3.204 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.683 -0.551 4.587 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.401 -0.885 4.913 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.875 0.769 4.521 1.00 0.00 H new ATOM 1068 N LYS A 70 10.645 1.074 3.685 1.00 0.00 N ATOM 1069 CA LYS A 70 11.608 1.354 4.787 1.00 0.00 C ATOM 1070 C LYS A 70 11.632 2.857 5.075 1.00 0.00 C ATOM 1071 O LYS A 70 11.782 3.276 6.205 1.00 0.00 O ATOM 1072 CB LYS A 70 13.005 0.895 4.367 1.00 0.00 C ATOM 1073 CG LYS A 70 13.512 -0.163 5.347 1.00 0.00 C ATOM 1074 CD LYS A 70 14.853 -0.715 4.858 1.00 0.00 C ATOM 1075 CE LYS A 70 15.542 -1.462 6.000 1.00 0.00 C ATOM 1076 NZ LYS A 70 16.842 -2.010 5.522 1.00 0.00 N ATOM 0 H LYS A 70 10.973 0.405 2.988 1.00 0.00 H new ATOM 0 HA LYS A 70 11.301 0.817 5.685 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.976 0.486 3.357 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.688 1.745 4.348 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.627 0.272 6.340 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.785 -0.970 5.434 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.696 -1.385 4.013 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.487 0.099 4.506 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.706 -0.789 6.842 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.904 -2.270 6.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 17.311 -2.518 6.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.673 -2.665 4.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 17.451 -1.230 5.201 1.00 0.00 H new ATOM 1090 N THR A 71 11.478 3.674 4.065 1.00 0.00 N ATOM 1091 CA THR A 71 11.486 5.145 4.301 1.00 0.00 C ATOM 1092 C THR A 71 10.482 5.469 5.405 1.00 0.00 C ATOM 1093 O THR A 71 10.759 6.232 6.309 1.00 0.00 O ATOM 1094 CB THR A 71 11.087 5.885 3.022 1.00 0.00 C ATOM 1095 OG1 THR A 71 11.747 5.300 1.909 1.00 0.00 O ATOM 1096 CG2 THR A 71 11.488 7.355 3.145 1.00 0.00 C ATOM 0 H THR A 71 11.348 3.387 3.095 1.00 0.00 H new ATOM 0 HA THR A 71 12.487 5.461 4.595 1.00 0.00 H new ATOM 0 HB THR A 71 10.009 5.813 2.878 1.00 0.00 H new ATOM 0 HG1 THR A 71 12.422 4.665 2.226 1.00 0.00 H new ATOM 0 HG21 THR A 71 11.206 7.886 2.236 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.978 7.801 3.999 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.566 7.427 3.288 1.00 0.00 H new ATOM 1104 N ILE A 72 9.318 4.885 5.343 1.00 0.00 N ATOM 1105 CA ILE A 72 8.302 5.147 6.397 1.00 0.00 C ATOM 1106 C ILE A 72 8.783 4.524 7.707 1.00 0.00 C ATOM 1107 O ILE A 72 8.489 5.008 8.782 1.00 0.00 O ATOM 1108 CB ILE A 72 6.967 4.514 5.993 1.00 0.00 C ATOM 1109 CG1 ILE A 72 6.460 5.156 4.696 1.00 0.00 C ATOM 1110 CG2 ILE A 72 5.940 4.737 7.104 1.00 0.00 C ATOM 1111 CD1 ILE A 72 6.623 4.174 3.533 1.00 0.00 C ATOM 0 H ILE A 72 9.028 4.239 4.609 1.00 0.00 H new ATOM 0 HA ILE A 72 8.166 6.221 6.521 1.00 0.00 H new ATOM 0 HB ILE A 72 7.110 3.445 5.835 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.412 5.436 4.803 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.015 6.072 4.491 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.990 4.287 6.817 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.296 4.277 8.026 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.802 5.807 7.262 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.261 4.635 2.614 1.00 0.00 H new ATOM 0 HD12 ILE A 72 7.676 3.916 3.419 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.048 3.271 3.736 1.00 0.00 H new ATOM 1123 N ARG A 73 9.521 3.449 7.624 1.00 0.00 N ATOM 1124 CA ARG A 73 10.021 2.790 8.866 1.00 0.00 C ATOM 1125 C ARG A 73 11.384 3.376 9.257 1.00 0.00 C ATOM 1126 O ARG A 73 11.923 3.070 10.301 1.00 0.00 O ATOM 1127 CB ARG A 73 10.169 1.285 8.620 1.00 0.00 C ATOM 1128 CG ARG A 73 10.407 0.555 9.947 1.00 0.00 C ATOM 1129 CD ARG A 73 11.711 -0.243 9.867 1.00 0.00 C ATOM 1130 NE ARG A 73 11.850 -1.097 11.081 1.00 0.00 N ATOM 1131 CZ ARG A 73 11.418 -0.670 12.236 1.00 0.00 C ATOM 1132 NH1 ARG A 73 10.190 -0.914 12.603 1.00 0.00 N ATOM 1133 NH2 ARG A 73 12.215 -0.001 13.025 1.00 0.00 N ATOM 0 H ARG A 73 9.799 2.999 6.752 1.00 0.00 H new ATOM 0 HA ARG A 73 9.310 2.964 9.674 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.271 0.897 8.139 1.00 0.00 H new ATOM 0 HB3 ARG A 73 11.000 1.100 7.940 1.00 0.00 H new ATOM 0 HG2 ARG A 73 10.458 1.274 10.765 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.573 -0.113 10.161 1.00 0.00 H new ATOM 0 HD2 ARG A 73 11.715 -0.864 8.971 1.00 0.00 H new ATOM 0 HD3 ARG A 73 12.560 0.436 9.788 1.00 0.00 H new ATOM 0 HE ARG A 73 12.284 -2.017 11.009 1.00 0.00 H new ATOM 0 HH11 ARG A 73 9.568 -1.438 11.987 1.00 0.00 H new ATOM 0 HH12 ARG A 73 9.852 -0.581 13.506 1.00 0.00 H new ATOM 0 HH21 ARG A 73 13.176 0.188 12.739 1.00 0.00 H new ATOM 0 HH22 ARG A 73 11.877 0.333 13.928 1.00 0.00 H new ATOM 1147 N ALA A 74 11.952 4.210 8.428 1.00 0.00 N ATOM 1148 CA ALA A 74 13.282 4.799 8.760 1.00 0.00 C ATOM 1149 C ALA A 74 13.165 5.673 10.007 1.00 0.00 C ATOM 1150 O ALA A 74 13.919 5.534 10.950 1.00 0.00 O ATOM 1151 CB ALA A 74 13.773 5.653 7.590 1.00 0.00 C ATOM 0 H ALA A 74 11.554 4.508 7.537 1.00 0.00 H new ATOM 0 HA ALA A 74 13.991 3.993 8.947 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.745 6.082 7.835 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.865 5.031 6.699 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.060 6.455 7.400 1.00 0.00 H new ATOM 1157 N ASP A 75 12.228 6.576 10.017 1.00 0.00 N ATOM 1158 CA ASP A 75 12.060 7.466 11.199 1.00 0.00 C ATOM 1159 C ASP A 75 12.093 6.629 12.478 1.00 0.00 C ATOM 1160 O ASP A 75 13.113 6.507 13.127 1.00 0.00 O ATOM 1161 CB ASP A 75 10.718 8.194 11.101 1.00 0.00 C ATOM 1162 CG ASP A 75 10.538 9.101 12.321 1.00 0.00 C ATOM 1163 OD1 ASP A 75 10.174 8.587 13.366 1.00 0.00 O ATOM 1164 OD2 ASP A 75 10.765 10.292 12.189 1.00 0.00 O ATOM 0 H ASP A 75 11.569 6.738 9.256 1.00 0.00 H new ATOM 0 HA ASP A 75 12.870 8.195 11.222 1.00 0.00 H new ATOM 0 HB2 ASP A 75 10.679 8.785 10.186 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.903 7.472 11.048 1.00 0.00 H new ATOM 1169 N GLY A 76 10.983 6.054 12.847 1.00 0.00 N ATOM 1170 CA GLY A 76 10.946 5.226 14.085 1.00 0.00 C ATOM 1171 C GLY A 76 9.517 5.187 14.626 1.00 0.00 C ATOM 1172 O GLY A 76 8.908 4.140 14.722 1.00 0.00 O ATOM 0 H GLY A 76 10.098 6.122 12.344 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.293 4.215 13.870 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.619 5.642 14.834 1.00 0.00 H new ATOM 1176 N ALA A 77 8.974 6.321 14.978 1.00 0.00 N ATOM 1177 CA ALA A 77 7.582 6.346 15.509 1.00 0.00 C ATOM 1178 C ALA A 77 6.596 6.337 14.340 1.00 0.00 C ATOM 1179 O ALA A 77 5.402 6.206 14.523 1.00 0.00 O ATOM 1180 CB ALA A 77 7.376 7.611 16.344 1.00 0.00 C ATOM 0 H ALA A 77 9.434 7.230 14.921 1.00 0.00 H new ATOM 0 HA ALA A 77 7.413 5.470 16.135 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.358 7.629 16.732 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.081 7.617 17.175 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.542 8.490 15.721 1.00 0.00 H new ATOM 1186 N MET A 78 7.087 6.475 13.139 1.00 0.00 N ATOM 1187 CA MET A 78 6.181 6.473 11.955 1.00 0.00 C ATOM 1188 C MET A 78 6.021 5.042 11.443 1.00 0.00 C ATOM 1189 O MET A 78 5.227 4.770 10.565 1.00 0.00 O ATOM 1190 CB MET A 78 6.783 7.348 10.854 1.00 0.00 C ATOM 1191 CG MET A 78 7.205 8.694 11.446 1.00 0.00 C ATOM 1192 SD MET A 78 7.803 9.776 10.125 1.00 0.00 S ATOM 1193 CE MET A 78 6.348 10.849 10.032 1.00 0.00 C ATOM 0 H MET A 78 8.078 6.589 12.926 1.00 0.00 H new ATOM 0 HA MET A 78 5.205 6.868 12.239 1.00 0.00 H new ATOM 0 HB2 MET A 78 7.643 6.849 10.408 1.00 0.00 H new ATOM 0 HB3 MET A 78 6.055 7.501 10.057 1.00 0.00 H new ATOM 0 HG2 MET A 78 6.362 9.159 11.957 1.00 0.00 H new ATOM 0 HG3 MET A 78 7.987 8.546 12.191 1.00 0.00 H new ATOM 0 HE1 MET A 78 6.503 11.607 9.264 1.00 0.00 H new ATOM 0 HE2 MET A 78 5.471 10.252 9.781 1.00 0.00 H new ATOM 0 HE3 MET A 78 6.192 11.335 10.995 1.00 0.00 H new ATOM 1203 N SER A 79 6.770 4.123 11.989 1.00 0.00 N ATOM 1204 CA SER A 79 6.665 2.707 11.541 1.00 0.00 C ATOM 1205 C SER A 79 5.382 2.093 12.103 1.00 0.00 C ATOM 1206 O SER A 79 5.417 1.195 12.921 1.00 0.00 O ATOM 1207 CB SER A 79 7.876 1.923 12.052 1.00 0.00 C ATOM 1208 OG SER A 79 9.031 2.749 11.991 1.00 0.00 O ATOM 0 H SER A 79 7.452 4.293 12.728 1.00 0.00 H new ATOM 0 HA SER A 79 6.640 2.666 10.452 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.704 1.594 13.077 1.00 0.00 H new ATOM 0 HB3 SER A 79 8.024 1.027 11.450 1.00 0.00 H new ATOM 0 HG SER A 79 9.137 3.226 12.841 1.00 0.00 H new ATOM 1214 N ALA A 80 4.244 2.572 11.678 1.00 0.00 N ATOM 1215 CA ALA A 80 2.966 2.012 12.203 1.00 0.00 C ATOM 1216 C ALA A 80 1.865 2.108 11.144 1.00 0.00 C ATOM 1217 O ALA A 80 0.942 1.317 11.131 1.00 0.00 O ATOM 1218 CB ALA A 80 2.542 2.795 13.446 1.00 0.00 C ATOM 0 H ALA A 80 4.144 3.322 10.994 1.00 0.00 H new ATOM 0 HA ALA A 80 3.120 0.963 12.458 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.608 2.387 13.832 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.316 2.713 14.209 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.400 3.844 13.185 1.00 0.00 H new ATOM 1224 N LEU A 81 1.936 3.069 10.265 1.00 0.00 N ATOM 1225 CA LEU A 81 0.877 3.199 9.232 1.00 0.00 C ATOM 1226 C LEU A 81 0.833 1.905 8.378 1.00 0.00 C ATOM 1227 O LEU A 81 1.852 1.516 7.841 1.00 0.00 O ATOM 1228 CB LEU A 81 1.197 4.391 8.328 1.00 0.00 C ATOM 1229 CG LEU A 81 1.445 5.649 9.169 1.00 0.00 C ATOM 1230 CD1 LEU A 81 1.581 6.857 8.239 1.00 0.00 C ATOM 1231 CD2 LEU A 81 0.268 5.887 10.123 1.00 0.00 C ATOM 0 H LEU A 81 2.679 3.766 10.219 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.089 3.353 9.714 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.077 4.171 7.723 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.371 4.564 7.638 1.00 0.00 H new ATOM 0 HG LEU A 81 2.358 5.514 9.749 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.757 7.755 8.832 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.419 6.700 7.559 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.664 6.977 7.663 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.455 6.783 10.715 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.647 6.018 9.546 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.159 5.029 10.787 1.00 0.00 H new ATOM 1243 N PRO A 82 -0.320 1.254 8.267 1.00 0.00 N ATOM 1244 CA PRO A 82 -0.425 0.010 7.474 1.00 0.00 C ATOM 1245 C PRO A 82 -0.052 0.218 6.000 1.00 0.00 C ATOM 1246 O PRO A 82 -0.256 1.271 5.424 1.00 0.00 O ATOM 1247 CB PRO A 82 -1.901 -0.399 7.561 1.00 0.00 C ATOM 1248 CG PRO A 82 -2.632 0.645 8.434 1.00 0.00 C ATOM 1249 CD PRO A 82 -1.593 1.669 8.905 1.00 0.00 C ATOM 0 HA PRO A 82 0.261 -0.742 7.863 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.344 -0.442 6.566 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -1.996 -1.394 7.996 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.421 1.135 7.864 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.108 0.163 9.288 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.872 2.679 8.606 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.507 1.671 9.992 1.00 0.00 H new ATOM 1257 N VAL A 83 0.450 -0.817 5.387 1.00 0.00 N ATOM 1258 CA VAL A 83 0.800 -0.764 3.940 1.00 0.00 C ATOM 1259 C VAL A 83 0.239 -2.012 3.300 1.00 0.00 C ATOM 1260 O VAL A 83 0.364 -3.089 3.847 1.00 0.00 O ATOM 1261 CB VAL A 83 2.318 -0.789 3.727 1.00 0.00 C ATOM 1262 CG1 VAL A 83 2.626 -1.352 2.327 1.00 0.00 C ATOM 1263 CG2 VAL A 83 2.894 0.623 3.829 1.00 0.00 C ATOM 0 H VAL A 83 0.636 -1.714 5.836 1.00 0.00 H new ATOM 0 HA VAL A 83 0.398 0.155 3.512 1.00 0.00 H new ATOM 0 HB VAL A 83 2.769 -1.417 4.495 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.705 -1.371 2.172 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.230 -2.364 2.247 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.162 -0.719 1.570 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.973 0.588 3.675 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.440 1.257 3.068 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.681 1.032 4.817 1.00 0.00 H new ATOM 1273 N LEU A 84 -0.339 -1.890 2.144 1.00 0.00 N ATOM 1274 CA LEU A 84 -0.870 -3.093 1.467 1.00 0.00 C ATOM 1275 C LEU A 84 -0.120 -3.282 0.157 1.00 0.00 C ATOM 1276 O LEU A 84 -0.677 -3.172 -0.917 1.00 0.00 O ATOM 1277 CB LEU A 84 -2.368 -2.934 1.201 1.00 0.00 C ATOM 1278 CG LEU A 84 -2.951 -4.258 0.696 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -2.811 -5.349 1.765 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -4.430 -4.057 0.381 1.00 0.00 C ATOM 0 H LEU A 84 -0.466 -1.012 1.641 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.730 -3.967 2.103 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.878 -2.627 2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.534 -2.149 0.464 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.409 -4.568 -0.197 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.230 -6.282 1.389 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.757 -5.494 2.001 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.346 -5.047 2.665 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.856 -4.993 0.020 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.955 -3.743 1.283 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.538 -3.290 -0.386 1.00 0.00 H new ATOM 1292 N MET A 85 1.150 -3.563 0.244 1.00 0.00 N ATOM 1293 CA MET A 85 1.946 -3.760 -0.991 1.00 0.00 C ATOM 1294 C MET A 85 1.189 -4.709 -1.910 1.00 0.00 C ATOM 1295 O MET A 85 0.319 -5.438 -1.480 1.00 0.00 O ATOM 1296 CB MET A 85 3.309 -4.356 -0.639 1.00 0.00 C ATOM 1297 CG MET A 85 4.335 -3.232 -0.490 1.00 0.00 C ATOM 1298 SD MET A 85 4.970 -2.776 -2.122 1.00 0.00 S ATOM 1299 CE MET A 85 6.403 -1.831 -1.551 1.00 0.00 C ATOM 0 H MET A 85 1.667 -3.664 1.117 1.00 0.00 H new ATOM 0 HA MET A 85 2.101 -2.804 -1.490 1.00 0.00 H new ATOM 0 HB2 MET A 85 3.240 -4.925 0.288 1.00 0.00 H new ATOM 0 HB3 MET A 85 3.626 -5.051 -1.417 1.00 0.00 H new ATOM 0 HG2 MET A 85 3.876 -2.367 -0.012 1.00 0.00 H new ATOM 0 HG3 MET A 85 5.153 -3.555 0.153 1.00 0.00 H new ATOM 0 HE1 MET A 85 6.556 -0.972 -2.204 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.228 -1.485 -0.532 1.00 0.00 H new ATOM 0 HE3 MET A 85 7.289 -2.465 -1.572 1.00 0.00 H new ATOM 1309 N VAL A 86 1.500 -4.699 -3.173 1.00 0.00 N ATOM 1310 CA VAL A 86 0.781 -5.591 -4.120 1.00 0.00 C ATOM 1311 C VAL A 86 1.759 -6.067 -5.199 1.00 0.00 C ATOM 1312 O VAL A 86 2.494 -5.288 -5.771 1.00 0.00 O ATOM 1313 CB VAL A 86 -0.407 -4.804 -4.720 1.00 0.00 C ATOM 1314 CG1 VAL A 86 -0.001 -3.363 -4.990 1.00 0.00 C ATOM 1315 CG2 VAL A 86 -0.917 -5.438 -6.022 1.00 0.00 C ATOM 0 H VAL A 86 2.221 -4.111 -3.591 1.00 0.00 H new ATOM 0 HA VAL A 86 0.389 -6.475 -3.616 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.214 -4.833 -3.988 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.846 -2.820 -5.412 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.304 -2.890 -4.057 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.830 -3.345 -5.695 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.751 -4.853 -6.409 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.113 -5.454 -6.758 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.249 -6.457 -5.825 1.00 0.00 H new ATOM 1325 N THR A 87 1.769 -7.345 -5.482 1.00 0.00 N ATOM 1326 CA THR A 87 2.695 -7.867 -6.526 1.00 0.00 C ATOM 1327 C THR A 87 2.072 -9.096 -7.193 1.00 0.00 C ATOM 1328 O THR A 87 1.112 -9.658 -6.703 1.00 0.00 O ATOM 1329 CB THR A 87 4.027 -8.255 -5.878 1.00 0.00 C ATOM 1330 OG1 THR A 87 5.016 -8.402 -6.885 1.00 0.00 O ATOM 1331 CG2 THR A 87 3.866 -9.575 -5.121 1.00 0.00 C ATOM 0 H THR A 87 1.177 -8.046 -5.036 1.00 0.00 H new ATOM 0 HA THR A 87 2.868 -7.096 -7.277 1.00 0.00 H new ATOM 0 HB THR A 87 4.331 -7.475 -5.180 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.870 -8.649 -6.472 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.815 -9.849 -4.661 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.107 -9.460 -4.347 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.560 -10.358 -5.815 1.00 0.00 H new ATOM 1339 N ALA A 88 2.611 -9.521 -8.303 1.00 0.00 N ATOM 1340 CA ALA A 88 2.047 -10.717 -8.993 1.00 0.00 C ATOM 1341 C ALA A 88 2.694 -11.982 -8.423 1.00 0.00 C ATOM 1342 O ALA A 88 2.054 -12.773 -7.758 1.00 0.00 O ATOM 1343 CB ALA A 88 2.335 -10.625 -10.494 1.00 0.00 C ATOM 0 H ALA A 88 3.416 -9.093 -8.761 1.00 0.00 H new ATOM 0 HA ALA A 88 0.969 -10.756 -8.835 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.923 -11.499 -10.998 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.875 -9.723 -10.898 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.412 -10.587 -10.656 1.00 0.00 H new ATOM 1349 N GLU A 89 3.960 -12.178 -8.674 1.00 0.00 N ATOM 1350 CA GLU A 89 4.645 -13.389 -8.142 1.00 0.00 C ATOM 1351 C GLU A 89 5.192 -13.086 -6.746 1.00 0.00 C ATOM 1352 O GLU A 89 6.210 -12.440 -6.594 1.00 0.00 O ATOM 1353 CB GLU A 89 5.798 -13.773 -9.072 1.00 0.00 C ATOM 1354 CG GLU A 89 5.259 -14.600 -10.240 1.00 0.00 C ATOM 1355 CD GLU A 89 4.985 -16.030 -9.772 1.00 0.00 C ATOM 1356 OE1 GLU A 89 5.935 -16.709 -9.419 1.00 0.00 O ATOM 1357 OE2 GLU A 89 3.829 -16.422 -9.773 1.00 0.00 O ATOM 0 H GLU A 89 4.548 -11.552 -9.224 1.00 0.00 H new ATOM 0 HA GLU A 89 3.937 -14.216 -8.085 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.292 -12.876 -9.445 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.547 -14.344 -8.523 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.344 -14.151 -10.625 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.980 -14.606 -11.058 1.00 0.00 H new ATOM 1364 N ALA A 90 4.520 -13.539 -5.724 1.00 0.00 N ATOM 1365 CA ALA A 90 4.996 -13.269 -4.338 1.00 0.00 C ATOM 1366 C ALA A 90 5.965 -14.369 -3.897 1.00 0.00 C ATOM 1367 O ALA A 90 5.559 -15.435 -3.478 1.00 0.00 O ATOM 1368 CB ALA A 90 3.797 -13.236 -3.388 1.00 0.00 C ATOM 0 H ALA A 90 3.661 -14.085 -5.789 1.00 0.00 H new ATOM 0 HA ALA A 90 5.510 -12.308 -4.315 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.142 -13.039 -2.373 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.110 -12.449 -3.697 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.284 -14.197 -3.416 1.00 0.00 H new ATOM 1374 N LYS A 91 7.242 -14.117 -3.983 1.00 0.00 N ATOM 1375 CA LYS A 91 8.235 -15.146 -3.562 1.00 0.00 C ATOM 1376 C LYS A 91 8.075 -15.408 -2.062 1.00 0.00 C ATOM 1377 O LYS A 91 7.001 -15.260 -1.515 1.00 0.00 O ATOM 1378 CB LYS A 91 9.650 -14.631 -3.851 1.00 0.00 C ATOM 1379 CG LYS A 91 10.540 -15.780 -4.342 1.00 0.00 C ATOM 1380 CD LYS A 91 10.359 -15.967 -5.851 1.00 0.00 C ATOM 1381 CE LYS A 91 11.276 -17.088 -6.342 1.00 0.00 C ATOM 1382 NZ LYS A 91 11.057 -17.304 -7.800 1.00 0.00 N ATOM 0 H LYS A 91 7.641 -13.243 -4.326 1.00 0.00 H new ATOM 0 HA LYS A 91 8.070 -16.072 -4.113 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.612 -13.843 -4.603 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.076 -14.190 -2.950 1.00 0.00 H new ATOM 0 HG2 LYS A 91 11.584 -15.566 -4.115 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.283 -16.701 -3.819 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.320 -16.208 -6.076 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.591 -15.039 -6.373 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.318 -16.829 -6.154 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.072 -18.007 -5.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.680 -18.066 -8.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 10.065 -17.569 -7.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.273 -16.428 -8.317 1.00 0.00 H new ATOM 1396 N LYS A 92 9.136 -15.793 -1.397 1.00 0.00 N ATOM 1397 CA LYS A 92 9.057 -16.063 0.072 1.00 0.00 C ATOM 1398 C LYS A 92 9.988 -15.104 0.816 1.00 0.00 C ATOM 1399 O LYS A 92 9.547 -14.197 1.493 1.00 0.00 O ATOM 1400 CB LYS A 92 9.488 -17.504 0.351 1.00 0.00 C ATOM 1401 CG LYS A 92 10.357 -18.010 -0.801 1.00 0.00 C ATOM 1402 CD LYS A 92 11.136 -19.245 -0.344 1.00 0.00 C ATOM 1403 CE LYS A 92 11.880 -19.849 -1.536 1.00 0.00 C ATOM 1404 NZ LYS A 92 12.720 -20.989 -1.069 1.00 0.00 N ATOM 0 H LYS A 92 10.058 -15.933 -1.811 1.00 0.00 H new ATOM 0 HA LYS A 92 8.032 -15.917 0.413 1.00 0.00 H new ATOM 0 HB2 LYS A 92 10.043 -17.554 1.288 1.00 0.00 H new ATOM 0 HB3 LYS A 92 8.611 -18.141 0.466 1.00 0.00 H new ATOM 0 HG2 LYS A 92 9.734 -18.257 -1.660 1.00 0.00 H new ATOM 0 HG3 LYS A 92 11.047 -17.229 -1.121 1.00 0.00 H new ATOM 0 HD2 LYS A 92 11.843 -18.973 0.439 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.454 -19.980 0.083 1.00 0.00 H new ATOM 0 HE2 LYS A 92 11.168 -20.191 -2.288 1.00 0.00 H new ATOM 0 HE3 LYS A 92 12.505 -19.092 -2.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 13.227 -21.401 -1.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 13.408 -20.649 -0.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 12.112 -21.713 -0.636 1.00 0.00 H new ATOM 1418 N GLU A 93 11.273 -15.301 0.698 1.00 0.00 N ATOM 1419 CA GLU A 93 12.236 -14.407 1.397 1.00 0.00 C ATOM 1420 C GLU A 93 11.876 -12.938 1.135 1.00 0.00 C ATOM 1421 O GLU A 93 12.433 -12.041 1.736 1.00 0.00 O ATOM 1422 CB GLU A 93 13.651 -14.685 0.882 1.00 0.00 C ATOM 1423 CG GLU A 93 14.634 -13.719 1.547 1.00 0.00 C ATOM 1424 CD GLU A 93 14.848 -12.505 0.641 1.00 0.00 C ATOM 1425 OE1 GLU A 93 15.127 -12.705 -0.529 1.00 0.00 O ATOM 1426 OE2 GLU A 93 14.729 -11.395 1.134 1.00 0.00 O ATOM 0 H GLU A 93 11.697 -16.046 0.145 1.00 0.00 H new ATOM 0 HA GLU A 93 12.189 -14.599 2.469 1.00 0.00 H new ATOM 0 HB2 GLU A 93 13.933 -15.715 1.100 1.00 0.00 H new ATOM 0 HB3 GLU A 93 13.685 -14.567 -0.201 1.00 0.00 H new ATOM 0 HG2 GLU A 93 14.248 -13.400 2.515 1.00 0.00 H new ATOM 0 HG3 GLU A 93 15.584 -14.220 1.732 1.00 0.00 H new ATOM 1433 N ASN A 94 10.956 -12.685 0.243 1.00 0.00 N ATOM 1434 CA ASN A 94 10.572 -11.275 -0.051 1.00 0.00 C ATOM 1435 C ASN A 94 9.436 -10.842 0.879 1.00 0.00 C ATOM 1436 O ASN A 94 9.486 -9.792 1.490 1.00 0.00 O ATOM 1437 CB ASN A 94 10.109 -11.166 -1.505 1.00 0.00 C ATOM 1438 CG ASN A 94 8.904 -10.228 -1.591 1.00 0.00 C ATOM 1439 OD1 ASN A 94 8.954 -9.110 -1.121 1.00 0.00 O ATOM 1440 ND2 ASN A 94 7.813 -10.641 -2.176 1.00 0.00 N ATOM 0 H ASN A 94 10.455 -13.393 -0.294 1.00 0.00 H new ATOM 0 HA ASN A 94 11.434 -10.627 0.108 1.00 0.00 H new ATOM 0 HB2 ASN A 94 10.920 -10.790 -2.128 1.00 0.00 H new ATOM 0 HB3 ASN A 94 9.843 -12.152 -1.888 1.00 0.00 H new ATOM 0 HD21 ASN A 94 7.003 -10.024 -2.238 1.00 0.00 H new ATOM 0 HD22 ASN A 94 7.770 -11.580 -2.571 1.00 0.00 H new ATOM 1447 N ILE A 95 8.410 -11.637 0.986 1.00 0.00 N ATOM 1448 CA ILE A 95 7.268 -11.268 1.872 1.00 0.00 C ATOM 1449 C ILE A 95 7.752 -11.151 3.319 1.00 0.00 C ATOM 1450 O ILE A 95 7.242 -10.364 4.091 1.00 0.00 O ATOM 1451 CB ILE A 95 6.181 -12.342 1.783 1.00 0.00 C ATOM 1452 CG1 ILE A 95 5.841 -12.602 0.314 1.00 0.00 C ATOM 1453 CG2 ILE A 95 4.926 -11.862 2.516 1.00 0.00 C ATOM 1454 CD1 ILE A 95 4.751 -13.671 0.223 1.00 0.00 C ATOM 0 H ILE A 95 8.311 -12.528 0.499 1.00 0.00 H new ATOM 0 HA ILE A 95 6.860 -10.310 1.550 1.00 0.00 H new ATOM 0 HB ILE A 95 6.542 -13.262 2.243 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.502 -11.681 -0.160 1.00 0.00 H new ATOM 0 HG13 ILE A 95 6.731 -12.929 -0.224 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.152 -12.627 2.452 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.165 -11.674 3.563 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.565 -10.942 2.056 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.509 -13.856 -0.824 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.107 -14.594 0.682 1.00 0.00 H new ATOM 0 HD13 ILE A 95 3.859 -13.327 0.746 1.00 0.00 H new ATOM 1466 N ILE A 96 8.731 -11.928 3.697 1.00 0.00 N ATOM 1467 CA ILE A 96 9.237 -11.855 5.096 1.00 0.00 C ATOM 1468 C ILE A 96 9.951 -10.523 5.315 1.00 0.00 C ATOM 1469 O ILE A 96 9.529 -9.707 6.110 1.00 0.00 O ATOM 1470 CB ILE A 96 10.209 -13.005 5.354 1.00 0.00 C ATOM 1471 CG1 ILE A 96 9.430 -14.321 5.422 1.00 0.00 C ATOM 1472 CG2 ILE A 96 10.933 -12.771 6.682 1.00 0.00 C ATOM 1473 CD1 ILE A 96 10.376 -15.492 5.154 1.00 0.00 C ATOM 0 H ILE A 96 9.200 -12.608 3.099 1.00 0.00 H new ATOM 0 HA ILE A 96 8.396 -11.933 5.786 1.00 0.00 H new ATOM 0 HB ILE A 96 10.939 -13.055 4.546 1.00 0.00 H new ATOM 0 HG12 ILE A 96 8.968 -14.431 6.403 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.624 -14.316 4.688 1.00 0.00 H new ATOM 0 HG21 ILE A 96 11.627 -13.591 6.867 1.00 0.00 H new ATOM 0 HG22 ILE A 96 11.485 -11.832 6.635 1.00 0.00 H new ATOM 0 HG23 ILE A 96 10.204 -12.723 7.491 1.00 0.00 H new ATOM 0 HD11 ILE A 96 9.819 -16.428 5.203 1.00 0.00 H new ATOM 0 HD12 ILE A 96 10.818 -15.384 4.163 1.00 0.00 H new ATOM 0 HD13 ILE A 96 11.166 -15.500 5.905 1.00 0.00 H new ATOM 1485 N ALA A 97 11.026 -10.295 4.613 1.00 0.00 N ATOM 1486 CA ALA A 97 11.764 -9.010 4.776 1.00 0.00 C ATOM 1487 C ALA A 97 10.761 -7.860 4.757 1.00 0.00 C ATOM 1488 O ALA A 97 10.779 -6.987 5.601 1.00 0.00 O ATOM 1489 CB ALA A 97 12.763 -8.840 3.629 1.00 0.00 C ATOM 0 H ALA A 97 11.426 -10.942 3.934 1.00 0.00 H new ATOM 0 HA ALA A 97 12.306 -9.013 5.722 1.00 0.00 H new ATOM 0 HB1 ALA A 97 13.301 -7.900 3.751 1.00 0.00 H new ATOM 0 HB2 ALA A 97 13.472 -9.668 3.639 1.00 0.00 H new ATOM 0 HB3 ALA A 97 12.228 -8.831 2.679 1.00 0.00 H new ATOM 1495 N ALA A 98 9.878 -7.864 3.804 1.00 0.00 N ATOM 1496 CA ALA A 98 8.858 -6.785 3.728 1.00 0.00 C ATOM 1497 C ALA A 98 8.226 -6.589 5.108 1.00 0.00 C ATOM 1498 O ALA A 98 8.190 -5.495 5.635 1.00 0.00 O ATOM 1499 CB ALA A 98 7.776 -7.188 2.726 1.00 0.00 C ATOM 0 H ALA A 98 9.817 -8.570 3.071 1.00 0.00 H new ATOM 0 HA ALA A 98 9.327 -5.855 3.407 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.025 -6.401 2.666 1.00 0.00 H new ATOM 0 HB2 ALA A 98 8.226 -7.336 1.744 1.00 0.00 H new ATOM 0 HB3 ALA A 98 7.305 -8.115 3.053 1.00 0.00 H new ATOM 1505 N ALA A 99 7.715 -7.640 5.691 1.00 0.00 N ATOM 1506 CA ALA A 99 7.073 -7.517 7.027 1.00 0.00 C ATOM 1507 C ALA A 99 8.030 -6.838 8.010 1.00 0.00 C ATOM 1508 O ALA A 99 7.646 -5.956 8.752 1.00 0.00 O ATOM 1509 CB ALA A 99 6.712 -8.910 7.549 1.00 0.00 C ATOM 0 H ALA A 99 7.716 -8.581 5.296 1.00 0.00 H new ATOM 0 HA ALA A 99 6.170 -6.913 6.934 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.241 -8.821 8.528 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.021 -9.390 6.856 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.617 -9.512 7.635 1.00 0.00 H new ATOM 1515 N GLN A 100 9.271 -7.240 8.026 1.00 0.00 N ATOM 1516 CA GLN A 100 10.241 -6.612 8.967 1.00 0.00 C ATOM 1517 C GLN A 100 10.145 -5.092 8.844 1.00 0.00 C ATOM 1518 O GLN A 100 10.559 -4.361 9.722 1.00 0.00 O ATOM 1519 CB GLN A 100 11.661 -7.070 8.623 1.00 0.00 C ATOM 1520 CG GLN A 100 12.192 -7.971 9.739 1.00 0.00 C ATOM 1521 CD GLN A 100 11.292 -9.201 9.872 1.00 0.00 C ATOM 1522 OE1 GLN A 100 10.464 -9.458 9.022 1.00 0.00 O ATOM 1523 NE2 GLN A 100 11.419 -9.978 10.913 1.00 0.00 N ATOM 0 H GLN A 100 9.655 -7.974 7.430 1.00 0.00 H new ATOM 0 HA GLN A 100 10.008 -6.911 9.989 1.00 0.00 H new ATOM 0 HB2 GLN A 100 11.661 -7.609 7.675 1.00 0.00 H new ATOM 0 HB3 GLN A 100 12.313 -6.205 8.498 1.00 0.00 H new ATOM 0 HG2 GLN A 100 13.215 -8.277 9.518 1.00 0.00 H new ATOM 0 HG3 GLN A 100 12.220 -7.424 10.681 1.00 0.00 H new ATOM 0 HE21 GLN A 100 12.114 -9.763 11.628 1.00 0.00 H new ATOM 0 HE22 GLN A 100 10.823 -10.800 11.012 1.00 0.00 H new ATOM 1532 N ALA A 101 9.600 -4.616 7.758 1.00 0.00 N ATOM 1533 CA ALA A 101 9.468 -3.141 7.564 1.00 0.00 C ATOM 1534 C ALA A 101 8.044 -2.700 7.926 1.00 0.00 C ATOM 1535 O ALA A 101 7.637 -2.774 9.069 1.00 0.00 O ATOM 1536 CB ALA A 101 9.752 -2.795 6.101 1.00 0.00 C ATOM 0 H ALA A 101 9.239 -5.186 6.993 1.00 0.00 H new ATOM 0 HA ALA A 101 10.181 -2.625 8.207 1.00 0.00 H new ATOM 0 HB1 ALA A 101 9.656 -1.719 5.956 1.00 0.00 H new ATOM 0 HB2 ALA A 101 10.764 -3.107 5.843 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.038 -3.312 5.460 1.00 0.00 H new ATOM 1542 N GLY A 102 7.291 -2.248 6.955 1.00 0.00 N ATOM 1543 CA GLY A 102 5.893 -1.803 7.209 1.00 0.00 C ATOM 1544 C GLY A 102 4.958 -2.505 6.224 1.00 0.00 C ATOM 1545 O GLY A 102 3.757 -2.353 6.275 1.00 0.00 O ATOM 0 H GLY A 102 7.593 -2.169 5.984 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.604 -2.037 8.234 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.816 -0.722 7.095 1.00 0.00 H new ATOM 1549 N ALA A 103 5.524 -3.282 5.341 1.00 0.00 N ATOM 1550 CA ALA A 103 4.739 -4.045 4.314 1.00 0.00 C ATOM 1551 C ALA A 103 3.679 -4.932 4.970 1.00 0.00 C ATOM 1552 O ALA A 103 3.117 -5.801 4.335 1.00 0.00 O ATOM 1553 CB ALA A 103 5.692 -4.909 3.497 1.00 0.00 C ATOM 0 H ALA A 103 6.532 -3.427 5.284 1.00 0.00 H new ATOM 0 HA ALA A 103 4.229 -3.330 3.668 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.128 -5.466 2.749 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.424 -4.273 3.000 1.00 0.00 H new ATOM 0 HB3 ALA A 103 6.207 -5.607 4.157 1.00 0.00 H new ATOM 1559 N SER A 104 3.457 -4.745 6.237 1.00 0.00 N ATOM 1560 CA SER A 104 2.476 -5.585 7.008 1.00 0.00 C ATOM 1561 C SER A 104 1.332 -6.099 6.120 1.00 0.00 C ATOM 1562 O SER A 104 0.835 -7.188 6.328 1.00 0.00 O ATOM 1563 CB SER A 104 1.876 -4.738 8.132 1.00 0.00 C ATOM 1564 OG SER A 104 2.813 -4.633 9.196 1.00 0.00 O ATOM 0 H SER A 104 3.922 -4.028 6.794 1.00 0.00 H new ATOM 0 HA SER A 104 3.013 -6.447 7.403 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.621 -3.746 7.758 1.00 0.00 H new ATOM 0 HB3 SER A 104 0.952 -5.191 8.490 1.00 0.00 H new ATOM 0 HG SER A 104 2.431 -4.089 9.916 1.00 0.00 H new ATOM 1570 N GLY A 105 0.916 -5.344 5.134 1.00 0.00 N ATOM 1571 CA GLY A 105 -0.188 -5.817 4.243 1.00 0.00 C ATOM 1572 C GLY A 105 0.381 -6.178 2.869 1.00 0.00 C ATOM 1573 O GLY A 105 1.111 -5.414 2.269 1.00 0.00 O ATOM 0 H GLY A 105 1.292 -4.423 4.908 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -0.679 -6.685 4.684 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.945 -5.040 4.141 1.00 0.00 H new ATOM 1577 N TYR A 106 0.047 -7.334 2.360 1.00 0.00 N ATOM 1578 CA TYR A 106 0.560 -7.734 1.018 1.00 0.00 C ATOM 1579 C TYR A 106 -0.495 -8.562 0.299 1.00 0.00 C ATOM 1580 O TYR A 106 -0.918 -9.598 0.771 1.00 0.00 O ATOM 1581 CB TYR A 106 1.833 -8.569 1.149 1.00 0.00 C ATOM 1582 CG TYR A 106 1.721 -9.800 0.266 1.00 0.00 C ATOM 1583 CD1 TYR A 106 1.798 -9.686 -1.133 1.00 0.00 C ATOM 1584 CD2 TYR A 106 1.547 -11.060 0.850 1.00 0.00 C ATOM 1585 CE1 TYR A 106 1.702 -10.832 -1.933 1.00 0.00 C ATOM 1586 CE2 TYR A 106 1.449 -12.201 0.049 1.00 0.00 C ATOM 1587 CZ TYR A 106 1.528 -12.089 -1.341 1.00 0.00 C ATOM 1588 OH TYR A 106 1.437 -13.218 -2.128 1.00 0.00 O ATOM 0 H TYR A 106 -0.558 -8.018 2.815 1.00 0.00 H new ATOM 0 HA TYR A 106 0.785 -6.829 0.453 1.00 0.00 H new ATOM 0 HB2 TYR A 106 2.701 -7.977 0.859 1.00 0.00 H new ATOM 0 HB3 TYR A 106 1.982 -8.865 2.187 1.00 0.00 H new ATOM 0 HD1 TYR A 106 1.931 -8.717 -1.590 1.00 0.00 H new ATOM 0 HD2 TYR A 106 1.488 -11.151 1.925 1.00 0.00 H new ATOM 0 HE1 TYR A 106 1.762 -10.746 -3.008 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.312 -13.170 0.505 1.00 0.00 H new ATOM 0 HH TYR A 106 1.319 -14.006 -1.557 1.00 0.00 H new ATOM 1598 N VAL A 107 -0.904 -8.109 -0.848 1.00 0.00 N ATOM 1599 CA VAL A 107 -1.919 -8.847 -1.640 1.00 0.00 C ATOM 1600 C VAL A 107 -1.262 -9.314 -2.935 1.00 0.00 C ATOM 1601 O VAL A 107 -0.474 -8.604 -3.524 1.00 0.00 O ATOM 1602 CB VAL A 107 -3.067 -7.900 -1.969 1.00 0.00 C ATOM 1603 CG1 VAL A 107 -2.528 -6.763 -2.834 1.00 0.00 C ATOM 1604 CG2 VAL A 107 -4.161 -8.657 -2.726 1.00 0.00 C ATOM 0 H VAL A 107 -0.573 -7.245 -1.277 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.299 -9.702 -1.081 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.493 -7.496 -1.050 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.338 -6.076 -3.078 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.751 -6.228 -2.289 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.110 -7.172 -3.754 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.980 -7.976 -2.959 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.750 -9.061 -3.651 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.533 -9.474 -2.107 1.00 0.00 H new ATOM 1614 N VAL A 108 -1.576 -10.491 -3.390 1.00 0.00 N ATOM 1615 CA VAL A 108 -0.957 -10.971 -4.652 1.00 0.00 C ATOM 1616 C VAL A 108 -1.871 -10.593 -5.831 1.00 0.00 C ATOM 1617 O VAL A 108 -2.867 -11.241 -6.082 1.00 0.00 O ATOM 1618 CB VAL A 108 -0.799 -12.491 -4.598 1.00 0.00 C ATOM 1619 CG1 VAL A 108 -2.171 -13.145 -4.422 1.00 0.00 C ATOM 1620 CG2 VAL A 108 -0.164 -12.985 -5.899 1.00 0.00 C ATOM 0 H VAL A 108 -2.229 -11.137 -2.947 1.00 0.00 H new ATOM 0 HA VAL A 108 0.023 -10.512 -4.780 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.160 -12.757 -3.756 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.056 -14.228 -4.384 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.624 -12.795 -3.494 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.812 -12.878 -5.262 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.051 -14.068 -5.860 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.803 -12.716 -6.741 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.815 -12.523 -6.024 1.00 0.00 H new ATOM 1630 N LYS A 109 -1.553 -9.546 -6.546 1.00 0.00 N ATOM 1631 CA LYS A 109 -2.420 -9.130 -7.694 1.00 0.00 C ATOM 1632 C LYS A 109 -2.440 -10.249 -8.749 1.00 0.00 C ATOM 1633 O LYS A 109 -1.528 -11.050 -8.794 1.00 0.00 O ATOM 1634 CB LYS A 109 -1.849 -7.831 -8.300 1.00 0.00 C ATOM 1635 CG LYS A 109 -1.320 -8.047 -9.731 1.00 0.00 C ATOM 1636 CD LYS A 109 -0.702 -6.742 -10.234 1.00 0.00 C ATOM 1637 CE LYS A 109 -0.091 -6.964 -11.619 1.00 0.00 C ATOM 1638 NZ LYS A 109 1.223 -7.652 -11.477 1.00 0.00 N ATOM 0 H LYS A 109 -0.733 -8.961 -6.387 1.00 0.00 H new ATOM 0 HA LYS A 109 -3.440 -8.952 -7.354 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.624 -7.065 -8.312 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.043 -7.459 -7.667 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.577 -8.844 -9.742 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -2.131 -8.358 -10.389 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.462 -5.962 -10.282 1.00 0.00 H new ATOM 0 HD3 LYS A 109 0.064 -6.399 -9.538 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -0.763 -7.563 -12.233 1.00 0.00 H new ATOM 0 HE3 LYS A 109 0.039 -6.009 -12.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 1.991 -6.978 -11.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 1.321 -8.017 -10.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 1.276 -8.442 -12.151 1.00 0.00 H new ATOM 1652 N PRO A 110 -3.439 -10.248 -9.611 1.00 0.00 N ATOM 1653 CA PRO A 110 -4.571 -9.288 -9.589 1.00 0.00 C ATOM 1654 C PRO A 110 -5.554 -9.669 -8.478 1.00 0.00 C ATOM 1655 O PRO A 110 -5.726 -10.836 -8.183 1.00 0.00 O ATOM 1656 CB PRO A 110 -5.263 -9.479 -10.945 1.00 0.00 C ATOM 1657 CG PRO A 110 -4.509 -10.602 -11.703 1.00 0.00 C ATOM 1658 CD PRO A 110 -3.476 -11.198 -10.735 1.00 0.00 C ATOM 0 HA PRO A 110 -4.240 -8.264 -9.415 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.310 -9.748 -10.806 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.245 -8.552 -11.518 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -5.205 -11.370 -12.042 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -4.018 -10.203 -12.590 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -3.770 -12.194 -10.404 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -2.498 -11.294 -11.207 1.00 0.00 H new ATOM 1666 N PHE A 111 -6.208 -8.705 -7.872 1.00 0.00 N ATOM 1667 CA PHE A 111 -7.190 -9.035 -6.796 1.00 0.00 C ATOM 1668 C PHE A 111 -8.536 -8.405 -7.097 1.00 0.00 C ATOM 1669 O PHE A 111 -8.647 -7.426 -7.808 1.00 0.00 O ATOM 1670 CB PHE A 111 -6.727 -8.510 -5.429 1.00 0.00 C ATOM 1671 CG PHE A 111 -6.262 -7.069 -5.516 1.00 0.00 C ATOM 1672 CD1 PHE A 111 -7.181 -6.026 -5.733 1.00 0.00 C ATOM 1673 CD2 PHE A 111 -4.904 -6.770 -5.382 1.00 0.00 C ATOM 1674 CE1 PHE A 111 -6.732 -4.707 -5.815 1.00 0.00 C ATOM 1675 CE2 PHE A 111 -4.466 -5.450 -5.459 1.00 0.00 C ATOM 1676 CZ PHE A 111 -5.375 -4.418 -5.677 1.00 0.00 C ATOM 0 H PHE A 111 -6.103 -7.711 -8.076 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.269 -10.122 -6.764 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -7.545 -8.587 -4.712 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -5.915 -9.134 -5.054 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -8.233 -6.246 -5.836 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -4.191 -7.565 -5.218 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -7.438 -3.908 -5.986 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.415 -5.226 -5.349 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.030 -3.397 -5.739 1.00 0.00 H new ATOM 1686 N THR A 112 -9.548 -8.944 -6.497 1.00 0.00 N ATOM 1687 CA THR A 112 -10.910 -8.384 -6.650 1.00 0.00 C ATOM 1688 C THR A 112 -11.199 -7.619 -5.364 1.00 0.00 C ATOM 1689 O THR A 112 -10.640 -7.922 -4.328 1.00 0.00 O ATOM 1690 CB THR A 112 -11.925 -9.518 -6.826 1.00 0.00 C ATOM 1691 OG1 THR A 112 -11.251 -10.690 -7.261 1.00 0.00 O ATOM 1692 CG2 THR A 112 -12.971 -9.113 -7.863 1.00 0.00 C ATOM 0 H THR A 112 -9.489 -9.765 -5.895 1.00 0.00 H new ATOM 0 HA THR A 112 -10.981 -7.737 -7.524 1.00 0.00 H new ATOM 0 HB THR A 112 -12.419 -9.715 -5.875 1.00 0.00 H new ATOM 0 HG1 THR A 112 -11.898 -11.417 -7.373 1.00 0.00 H new ATOM 0 HG21 THR A 112 -13.692 -9.921 -7.987 1.00 0.00 H new ATOM 0 HG22 THR A 112 -13.487 -8.214 -7.527 1.00 0.00 H new ATOM 0 HG23 THR A 112 -12.481 -8.915 -8.816 1.00 0.00 H new ATOM 1700 N ALA A 113 -12.036 -6.626 -5.400 1.00 0.00 N ATOM 1701 CA ALA A 113 -12.306 -5.865 -4.150 1.00 0.00 C ATOM 1702 C ALA A 113 -12.610 -6.840 -3.016 1.00 0.00 C ATOM 1703 O ALA A 113 -12.609 -6.476 -1.859 1.00 0.00 O ATOM 1704 CB ALA A 113 -13.495 -4.924 -4.362 1.00 0.00 C ATOM 0 H ALA A 113 -12.540 -6.309 -6.228 1.00 0.00 H new ATOM 0 HA ALA A 113 -11.428 -5.273 -3.890 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -13.688 -4.369 -3.444 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -13.267 -4.225 -5.167 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -14.377 -5.507 -4.627 1.00 0.00 H new ATOM 1710 N ALA A 114 -12.844 -8.081 -3.332 1.00 0.00 N ATOM 1711 CA ALA A 114 -13.114 -9.069 -2.258 1.00 0.00 C ATOM 1712 C ALA A 114 -11.780 -9.486 -1.645 1.00 0.00 C ATOM 1713 O ALA A 114 -11.639 -9.576 -0.442 1.00 0.00 O ATOM 1714 CB ALA A 114 -13.828 -10.290 -2.839 1.00 0.00 C ATOM 0 H ALA A 114 -12.860 -8.451 -4.282 1.00 0.00 H new ATOM 0 HA ALA A 114 -13.755 -8.627 -1.495 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -14.022 -11.010 -2.044 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -14.772 -9.980 -3.287 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.199 -10.751 -3.601 1.00 0.00 H new ATOM 1720 N THR A 115 -10.787 -9.719 -2.462 1.00 0.00 N ATOM 1721 CA THR A 115 -9.464 -10.100 -1.907 1.00 0.00 C ATOM 1722 C THR A 115 -8.886 -8.888 -1.180 1.00 0.00 C ATOM 1723 O THR A 115 -8.644 -8.940 0.010 1.00 0.00 O ATOM 1724 CB THR A 115 -8.523 -10.541 -3.026 1.00 0.00 C ATOM 1725 OG1 THR A 115 -9.116 -10.248 -4.279 1.00 0.00 O ATOM 1726 CG2 THR A 115 -8.272 -12.045 -2.918 1.00 0.00 C ATOM 0 H THR A 115 -10.837 -9.662 -3.479 1.00 0.00 H new ATOM 0 HA THR A 115 -9.577 -10.935 -1.216 1.00 0.00 H new ATOM 0 HB THR A 115 -7.575 -10.009 -2.938 1.00 0.00 H new ATOM 0 HG1 THR A 115 -9.082 -11.043 -4.851 1.00 0.00 H new ATOM 0 HG21 THR A 115 -7.600 -12.360 -3.717 1.00 0.00 H new ATOM 0 HG22 THR A 115 -7.819 -12.270 -1.953 1.00 0.00 H new ATOM 0 HG23 THR A 115 -9.218 -12.579 -3.008 1.00 0.00 H new ATOM 1734 N LEU A 116 -8.670 -7.783 -1.862 1.00 0.00 N ATOM 1735 CA LEU A 116 -8.127 -6.599 -1.143 1.00 0.00 C ATOM 1736 C LEU A 116 -8.955 -6.359 0.125 1.00 0.00 C ATOM 1737 O LEU A 116 -8.428 -5.993 1.157 1.00 0.00 O ATOM 1738 CB LEU A 116 -8.198 -5.362 -2.038 1.00 0.00 C ATOM 1739 CG LEU A 116 -6.932 -4.516 -1.834 1.00 0.00 C ATOM 1740 CD1 LEU A 116 -5.711 -5.232 -2.421 1.00 0.00 C ATOM 1741 CD2 LEU A 116 -7.078 -3.162 -2.531 1.00 0.00 C ATOM 0 H LEU A 116 -8.843 -7.658 -2.859 1.00 0.00 H new ATOM 0 HA LEU A 116 -7.086 -6.785 -0.878 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -8.286 -5.659 -3.083 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -9.084 -4.775 -1.798 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.797 -4.369 -0.762 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.822 -4.620 -2.269 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.579 -6.193 -1.924 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.862 -5.393 -3.488 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -6.173 -2.574 -2.377 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -7.233 -3.317 -3.599 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -7.932 -2.628 -2.114 1.00 0.00 H new ATOM 1753 N GLU A 117 -10.248 -6.559 0.060 1.00 0.00 N ATOM 1754 CA GLU A 117 -11.092 -6.338 1.265 1.00 0.00 C ATOM 1755 C GLU A 117 -10.721 -7.350 2.353 1.00 0.00 C ATOM 1756 O GLU A 117 -10.521 -7.001 3.499 1.00 0.00 O ATOM 1757 CB GLU A 117 -12.569 -6.505 0.890 1.00 0.00 C ATOM 1758 CG GLU A 117 -13.423 -6.616 2.159 1.00 0.00 C ATOM 1759 CD GLU A 117 -14.902 -6.432 1.804 1.00 0.00 C ATOM 1760 OE1 GLU A 117 -15.178 -6.003 0.695 1.00 0.00 O ATOM 1761 OE2 GLU A 117 -15.733 -6.724 2.646 1.00 0.00 O ATOM 0 H GLU A 117 -10.750 -6.864 -0.774 1.00 0.00 H new ATOM 0 HA GLU A 117 -10.923 -5.330 1.643 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -12.899 -5.655 0.293 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -12.698 -7.396 0.276 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -13.270 -7.588 2.628 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -13.116 -5.861 2.883 1.00 0.00 H new ATOM 1768 N GLU A 118 -10.644 -8.602 2.001 1.00 0.00 N ATOM 1769 CA GLU A 118 -10.304 -9.649 3.008 1.00 0.00 C ATOM 1770 C GLU A 118 -9.007 -9.286 3.739 1.00 0.00 C ATOM 1771 O GLU A 118 -9.012 -8.994 4.918 1.00 0.00 O ATOM 1772 CB GLU A 118 -10.124 -10.994 2.298 1.00 0.00 C ATOM 1773 CG GLU A 118 -10.351 -12.132 3.295 1.00 0.00 C ATOM 1774 CD GLU A 118 -10.120 -13.475 2.599 1.00 0.00 C ATOM 1775 OE1 GLU A 118 -9.163 -13.574 1.848 1.00 0.00 O ATOM 1776 OE2 GLU A 118 -10.903 -14.383 2.830 1.00 0.00 O ATOM 0 H GLU A 118 -10.802 -8.949 1.055 1.00 0.00 H new ATOM 0 HA GLU A 118 -11.113 -9.715 3.735 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -10.827 -11.077 1.469 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -9.122 -11.062 1.874 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -9.673 -12.028 4.142 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -11.365 -12.086 3.691 1.00 0.00 H new ATOM 1783 N LYS A 119 -7.898 -9.319 3.052 1.00 0.00 N ATOM 1784 CA LYS A 119 -6.596 -8.993 3.707 1.00 0.00 C ATOM 1785 C LYS A 119 -6.744 -7.748 4.587 1.00 0.00 C ATOM 1786 O LYS A 119 -6.308 -7.725 5.721 1.00 0.00 O ATOM 1787 CB LYS A 119 -5.539 -8.729 2.626 1.00 0.00 C ATOM 1788 CG LYS A 119 -4.504 -9.864 2.602 1.00 0.00 C ATOM 1789 CD LYS A 119 -5.156 -11.154 2.092 1.00 0.00 C ATOM 1790 CE LYS A 119 -5.055 -11.211 0.566 1.00 0.00 C ATOM 1791 NZ LYS A 119 -6.199 -11.998 0.022 1.00 0.00 N ATOM 0 H LYS A 119 -7.836 -9.558 2.062 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.289 -9.833 4.330 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.019 -8.645 1.651 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.042 -7.778 2.819 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.667 -9.591 1.960 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -4.100 -10.021 3.602 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.663 -12.021 2.532 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -6.201 -11.191 2.399 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -5.064 -10.203 0.152 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -4.111 -11.669 0.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -5.895 -12.507 -0.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -6.521 -12.682 0.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -6.980 -11.355 -0.218 1.00 0.00 H new ATOM 1805 N LEU A 120 -7.345 -6.713 4.073 1.00 0.00 N ATOM 1806 CA LEU A 120 -7.513 -5.468 4.879 1.00 0.00 C ATOM 1807 C LEU A 120 -8.340 -5.778 6.129 1.00 0.00 C ATOM 1808 O LEU A 120 -8.023 -5.345 7.220 1.00 0.00 O ATOM 1809 CB LEU A 120 -8.245 -4.419 4.024 1.00 0.00 C ATOM 1810 CG LEU A 120 -7.929 -2.986 4.495 1.00 0.00 C ATOM 1811 CD1 LEU A 120 -8.072 -2.024 3.315 1.00 0.00 C ATOM 1812 CD2 LEU A 120 -8.915 -2.574 5.592 1.00 0.00 C ATOM 0 H LEU A 120 -7.728 -6.673 3.129 1.00 0.00 H new ATOM 0 HA LEU A 120 -6.538 -5.085 5.180 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -7.954 -4.532 2.980 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -9.320 -4.591 4.076 1.00 0.00 H new ATOM 0 HG LEU A 120 -6.912 -2.952 4.885 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -7.849 -1.009 3.644 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -7.377 -2.310 2.526 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -9.092 -2.066 2.933 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -8.689 -1.560 5.923 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -9.931 -2.609 5.200 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -8.828 -3.259 6.436 1.00 0.00 H new ATOM 1824 N ASN A 121 -9.402 -6.515 5.975 1.00 0.00 N ATOM 1825 CA ASN A 121 -10.261 -6.845 7.150 1.00 0.00 C ATOM 1826 C ASN A 121 -9.491 -7.723 8.139 1.00 0.00 C ATOM 1827 O ASN A 121 -9.667 -7.620 9.337 1.00 0.00 O ATOM 1828 CB ASN A 121 -11.510 -7.591 6.672 1.00 0.00 C ATOM 1829 CG ASN A 121 -12.761 -6.867 7.170 1.00 0.00 C ATOM 1830 OD1 ASN A 121 -13.154 -5.860 6.616 1.00 0.00 O ATOM 1831 ND2 ASN A 121 -13.409 -7.340 8.200 1.00 0.00 N ATOM 0 H ASN A 121 -9.715 -6.905 5.086 1.00 0.00 H new ATOM 0 HA ASN A 121 -10.551 -5.920 7.649 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -11.519 -7.646 5.583 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -11.498 -8.616 7.043 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -14.245 -6.864 8.539 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -13.079 -8.186 8.666 1.00 0.00 H new ATOM 1838 N LYS A 122 -8.646 -8.588 7.654 1.00 0.00 N ATOM 1839 CA LYS A 122 -7.877 -9.471 8.579 1.00 0.00 C ATOM 1840 C LYS A 122 -6.827 -8.649 9.326 1.00 0.00 C ATOM 1841 O LYS A 122 -6.523 -8.909 10.473 1.00 0.00 O ATOM 1842 CB LYS A 122 -7.184 -10.574 7.778 1.00 0.00 C ATOM 1843 CG LYS A 122 -6.735 -11.686 8.730 1.00 0.00 C ATOM 1844 CD LYS A 122 -5.338 -12.173 8.338 1.00 0.00 C ATOM 1845 CE LYS A 122 -4.288 -11.186 8.851 1.00 0.00 C ATOM 1846 NZ LYS A 122 -3.185 -11.072 7.857 1.00 0.00 N ATOM 0 H LYS A 122 -8.454 -8.723 6.661 1.00 0.00 H new ATOM 0 HA LYS A 122 -8.563 -9.919 9.298 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -7.864 -10.976 7.027 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -6.325 -10.167 7.245 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -6.727 -11.318 9.756 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -7.442 -12.515 8.695 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -5.156 -13.163 8.756 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -5.265 -12.267 7.254 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -4.743 -10.210 9.019 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -3.894 -11.523 9.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -2.471 -10.401 8.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -2.745 -12.004 7.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -3.567 -10.731 6.952 1.00 0.00 H new ATOM 1860 N ILE A 123 -6.265 -7.663 8.684 1.00 0.00 N ATOM 1861 CA ILE A 123 -5.229 -6.831 9.360 1.00 0.00 C ATOM 1862 C ILE A 123 -5.904 -5.802 10.263 1.00 0.00 C ATOM 1863 O ILE A 123 -5.453 -5.534 11.359 1.00 0.00 O ATOM 1864 CB ILE A 123 -4.394 -6.099 8.308 1.00 0.00 C ATOM 1865 CG1 ILE A 123 -3.284 -7.031 7.809 1.00 0.00 C ATOM 1866 CG2 ILE A 123 -3.772 -4.839 8.928 1.00 0.00 C ATOM 1867 CD1 ILE A 123 -2.586 -6.410 6.597 1.00 0.00 C ATOM 0 H ILE A 123 -6.477 -7.397 7.722 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.586 -7.477 9.958 1.00 0.00 H new ATOM 0 HB ILE A 123 -5.030 -5.809 7.472 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.561 -7.207 8.605 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -3.705 -8.000 7.540 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -3.178 -4.319 8.177 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.564 -4.180 9.284 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -3.133 -5.123 9.764 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -1.799 -7.078 6.249 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -3.312 -6.257 5.798 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -2.150 -5.452 6.880 1.00 0.00 H new ATOM 1879 N PHE A 124 -6.966 -5.207 9.806 1.00 0.00 N ATOM 1880 CA PHE A 124 -7.646 -4.180 10.633 1.00 0.00 C ATOM 1881 C PHE A 124 -8.191 -4.819 11.908 1.00 0.00 C ATOM 1882 O PHE A 124 -8.351 -4.163 12.917 1.00 0.00 O ATOM 1883 CB PHE A 124 -8.768 -3.533 9.824 1.00 0.00 C ATOM 1884 CG PHE A 124 -8.188 -2.362 9.069 1.00 0.00 C ATOM 1885 CD1 PHE A 124 -7.066 -2.550 8.251 1.00 0.00 C ATOM 1886 CD2 PHE A 124 -8.753 -1.089 9.200 1.00 0.00 C ATOM 1887 CE1 PHE A 124 -6.513 -1.468 7.564 1.00 0.00 C ATOM 1888 CE2 PHE A 124 -8.196 -0.005 8.512 1.00 0.00 C ATOM 1889 CZ PHE A 124 -7.077 -0.197 7.695 1.00 0.00 C ATOM 0 H PHE A 124 -7.392 -5.388 8.897 1.00 0.00 H new ATOM 0 HA PHE A 124 -6.933 -3.406 10.917 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -9.203 -4.254 9.132 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -9.570 -3.201 10.483 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -6.629 -3.533 8.152 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -9.617 -0.943 9.831 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -5.650 -1.614 6.932 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -8.630 0.979 8.612 1.00 0.00 H new ATOM 0 HZ PHE A 124 -6.648 0.640 7.164 1.00 0.00 H new ATOM 1899 N GLU A 125 -8.449 -6.097 11.890 1.00 0.00 N ATOM 1900 CA GLU A 125 -8.947 -6.753 13.128 1.00 0.00 C ATOM 1901 C GLU A 125 -7.910 -6.525 14.223 1.00 0.00 C ATOM 1902 O GLU A 125 -8.226 -6.430 15.392 1.00 0.00 O ATOM 1903 CB GLU A 125 -9.128 -8.254 12.888 1.00 0.00 C ATOM 1904 CG GLU A 125 -10.486 -8.698 13.435 1.00 0.00 C ATOM 1905 CD GLU A 125 -11.602 -8.126 12.560 1.00 0.00 C ATOM 1906 OE1 GLU A 125 -11.975 -8.786 11.604 1.00 0.00 O ATOM 1907 OE2 GLU A 125 -12.065 -7.038 12.859 1.00 0.00 O ATOM 0 H GLU A 125 -8.338 -6.709 11.081 1.00 0.00 H new ATOM 0 HA GLU A 125 -9.910 -6.334 13.420 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -9.064 -8.473 11.822 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -8.328 -8.810 13.376 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -10.545 -9.786 13.452 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -10.605 -8.356 14.463 1.00 0.00 H new ATOM 1914 N LYS A 126 -6.667 -6.412 13.838 1.00 0.00 N ATOM 1915 CA LYS A 126 -5.591 -6.161 14.833 1.00 0.00 C ATOM 1916 C LYS A 126 -5.551 -4.662 15.121 1.00 0.00 C ATOM 1917 O LYS A 126 -5.197 -4.232 16.202 1.00 0.00 O ATOM 1918 CB LYS A 126 -4.243 -6.605 14.250 1.00 0.00 C ATOM 1919 CG LYS A 126 -3.530 -7.561 15.218 1.00 0.00 C ATOM 1920 CD LYS A 126 -4.183 -8.949 15.178 1.00 0.00 C ATOM 1921 CE LYS A 126 -3.260 -9.965 15.851 1.00 0.00 C ATOM 1922 NZ LYS A 126 -2.372 -10.582 14.826 1.00 0.00 N ATOM 0 H LYS A 126 -6.352 -6.484 12.871 1.00 0.00 H new ATOM 0 HA LYS A 126 -5.784 -6.719 15.750 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -4.399 -7.098 13.291 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -3.616 -5.733 14.062 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -2.476 -7.640 14.951 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -3.573 -7.161 16.231 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -5.147 -8.924 15.687 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -4.375 -9.243 14.146 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -2.662 -9.476 16.620 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -3.850 -10.735 16.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -1.743 -11.274 15.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -2.952 -11.062 14.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -1.800 -9.842 14.371 1.00 0.00 H new ATOM 1936 N LEU A 127 -5.923 -3.862 14.157 1.00 0.00 N ATOM 1937 CA LEU A 127 -5.923 -2.387 14.362 1.00 0.00 C ATOM 1938 C LEU A 127 -7.030 -2.029 15.356 1.00 0.00 C ATOM 1939 O LEU A 127 -6.996 -0.993 15.991 1.00 0.00 O ATOM 1940 CB LEU A 127 -6.177 -1.683 13.022 1.00 0.00 C ATOM 1941 CG LEU A 127 -6.058 -0.163 13.196 1.00 0.00 C ATOM 1942 CD1 LEU A 127 -4.627 0.212 13.596 1.00 0.00 C ATOM 1943 CD2 LEU A 127 -6.410 0.528 11.876 1.00 0.00 C ATOM 0 H LEU A 127 -6.228 -4.170 13.233 1.00 0.00 H new ATOM 0 HA LEU A 127 -4.959 -2.064 14.754 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -5.459 -2.029 12.278 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -7.169 -1.938 12.650 1.00 0.00 H new ATOM 0 HG LEU A 127 -6.744 0.160 13.979 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -4.554 1.293 13.717 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -4.372 -0.276 14.537 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -3.935 -0.114 12.819 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -6.326 1.608 11.997 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -5.724 0.196 11.097 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -7.431 0.273 11.593 1.00 0.00 H new ATOM 1955 N GLY A 128 -8.011 -2.883 15.496 1.00 0.00 N ATOM 1956 CA GLY A 128 -9.121 -2.602 16.449 1.00 0.00 C ATOM 1957 C GLY A 128 -10.311 -2.016 15.690 1.00 0.00 C ATOM 1958 O GLY A 128 -11.299 -1.619 16.278 1.00 0.00 O ATOM 0 H GLY A 128 -8.089 -3.765 14.989 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -9.417 -3.519 16.959 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -8.787 -1.904 17.217 1.00 0.00 H new ATOM 1962 N MET A 129 -10.226 -1.959 14.390 1.00 0.00 N ATOM 1963 CA MET A 129 -11.352 -1.399 13.589 1.00 0.00 C ATOM 1964 C MET A 129 -12.243 -2.541 13.099 1.00 0.00 C ATOM 1965 O MET A 129 -13.158 -2.904 13.820 1.00 0.00 O ATOM 1966 CB MET A 129 -10.789 -0.639 12.387 1.00 0.00 C ATOM 1967 CG MET A 129 -10.717 0.854 12.715 1.00 0.00 C ATOM 1968 SD MET A 129 -12.391 1.537 12.790 1.00 0.00 S ATOM 1969 CE MET A 129 -12.287 2.209 14.467 1.00 0.00 C ATOM 1970 OXT MET A 129 -11.997 -3.034 12.010 1.00 0.00 O ATOM 0 H MET A 129 -9.424 -2.277 13.846 1.00 0.00 H new ATOM 0 HA MET A 129 -11.939 -0.720 14.207 1.00 0.00 H new ATOM 0 HB2 MET A 129 -9.797 -1.016 12.137 1.00 0.00 H new ATOM 0 HB3 MET A 129 -11.420 -0.800 11.513 1.00 0.00 H new ATOM 0 HG2 MET A 129 -10.209 1.004 13.668 1.00 0.00 H new ATOM 0 HG3 MET A 129 -10.133 1.376 11.957 1.00 0.00 H new ATOM 0 HE1 MET A 129 -13.232 2.687 14.727 1.00 0.00 H new ATOM 0 HE2 MET A 129 -12.083 1.402 15.170 1.00 0.00 H new ATOM 0 HE3 MET A 129 -11.483 2.944 14.515 1.00 0.00 H new