USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 574 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 Single : A 1 LYS NZ :NH3+ 171:sc= -0.0072 (180deg=-0.119) USER MOD Single : A 2 ASN : amide:sc= -0.723 K(o=-0.72,f=-5.1!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 TYR OH : rot 180:sc= 0 USER MOD Single : A -7 MET CE :methyl 160:sc= 0 (180deg=-0.36) USER MOD Single : A -7 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 39:sc= 0.124 USER MOD Single : A 14 THR OG1 : rot 54:sc= 0.266 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 20 SER OG : rot 87:sc= 1.25 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -1.34 K(o=-1.3,f=-3.3!) USER MOD Single : A 28 LYS NZ :NH3+ -169:sc= -0.0125 (180deg=-0.166) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.236 X(o=-0.24,f=0.037) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -124:sc= 1.71 USER MOD Single : A 62 LYS NZ :NH3+ 170:sc= -0.0104 (180deg=-0.124) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -7 -68.309 7.177 30.506 1.00 20.00 N ATOM 2 CA MET A -7 -66.974 7.817 30.482 1.00 20.00 C ATOM 3 C MET A -7 -67.118 9.329 30.621 1.00 20.00 C ATOM 4 O MET A -7 -67.159 10.058 29.627 1.00 20.00 O ATOM 5 CB MET A -7 -66.248 7.470 29.178 1.00 20.00 C ATOM 6 CG MET A -7 -64.810 7.962 29.113 1.00 20.00 C ATOM 7 SD MET A -7 -64.007 7.526 27.559 1.00 20.00 S ATOM 8 CE MET A -7 -62.367 8.189 27.829 1.00 20.00 C ATOM 0 H1 MET A -7 -68.202 6.147 30.411 1.00 20.00 H new ATOM 0 H2 MET A -7 -68.782 7.394 31.406 1.00 20.00 H new ATOM 0 H3 MET A -7 -68.882 7.540 29.718 1.00 20.00 H new ATOM 0 HA MET A -7 -66.386 7.442 31.320 1.00 20.00 H new ATOM 0 HB2 MET A -7 -66.256 6.388 29.048 1.00 20.00 H new ATOM 0 HB3 MET A -7 -66.803 7.895 28.342 1.00 20.00 H new ATOM 0 HG2 MET A -7 -64.793 9.045 29.237 1.00 20.00 H new ATOM 0 HG3 MET A -7 -64.245 7.537 29.943 1.00 20.00 H new ATOM 0 HE1 MET A -7 -61.664 7.711 27.147 1.00 20.00 H new ATOM 0 HE2 MET A -7 -62.375 9.264 27.647 1.00 20.00 H new ATOM 0 HE3 MET A -7 -62.062 7.997 28.858 1.00 20.00 H new ATOM 20 N ASP A -6 -67.215 9.791 31.859 1.00 20.00 N ATOM 21 CA ASP A -6 -67.382 11.211 32.140 1.00 20.00 C ATOM 22 C ASP A -6 -66.032 11.916 32.144 1.00 20.00 C ATOM 23 O ASP A -6 -65.908 13.053 31.692 1.00 20.00 O ATOM 24 CB ASP A -6 -68.092 11.401 33.486 1.00 20.00 C ATOM 25 CG ASP A -6 -68.256 12.859 33.867 1.00 20.00 C ATOM 26 OD1 ASP A -6 -69.152 13.531 33.311 1.00 20.00 O ATOM 27 OD2 ASP A -6 -67.495 13.338 34.732 1.00 20.00 O ATOM 0 H ASP A -6 -67.181 9.200 32.690 1.00 20.00 H new ATOM 0 HA ASP A -6 -67.996 11.653 31.356 1.00 20.00 H new ATOM 0 HB2 ASP A -6 -69.074 10.930 33.443 1.00 20.00 H new ATOM 0 HB3 ASP A -6 -67.527 10.889 34.265 1.00 20.00 H new ATOM 32 N TYR A -5 -65.020 11.229 32.650 1.00 20.00 N ATOM 33 CA TYR A -5 -63.663 11.761 32.652 1.00 20.00 C ATOM 34 C TYR A -5 -62.920 11.291 31.410 1.00 20.00 C ATOM 35 O TYR A -5 -62.936 10.104 31.080 1.00 20.00 O ATOM 36 CB TYR A -5 -62.908 11.340 33.916 1.00 20.00 C ATOM 37 CG TYR A -5 -63.495 11.917 35.184 1.00 20.00 C ATOM 38 CD1 TYR A -5 -63.181 13.207 35.591 1.00 20.00 C ATOM 39 CD2 TYR A -5 -64.366 11.175 35.972 1.00 20.00 C ATOM 40 CE1 TYR A -5 -63.716 13.741 36.745 1.00 20.00 C ATOM 41 CE2 TYR A -5 -64.906 11.703 37.129 1.00 20.00 C ATOM 42 CZ TYR A -5 -64.578 12.986 37.509 1.00 20.00 C ATOM 43 OH TYR A -5 -65.115 13.518 38.660 1.00 20.00 O ATOM 0 H TYR A -5 -65.111 10.302 33.065 1.00 20.00 H new ATOM 0 HA TYR A -5 -63.721 12.849 32.643 1.00 20.00 H new ATOM 0 HB2 TYR A -5 -62.909 10.252 33.986 1.00 20.00 H new ATOM 0 HB3 TYR A -5 -61.867 11.653 33.830 1.00 20.00 H new ATOM 0 HD1 TYR A -5 -62.506 13.802 34.994 1.00 20.00 H new ATOM 0 HD2 TYR A -5 -64.625 10.169 35.675 1.00 20.00 H new ATOM 0 HE1 TYR A -5 -63.460 14.746 37.048 1.00 20.00 H new ATOM 0 HE2 TYR A -5 -65.581 11.114 37.732 1.00 20.00 H new ATOM 0 HH TYR A -5 -65.704 12.858 39.082 1.00 20.00 H new ATOM 53 N LYS A -4 -62.285 12.224 30.718 1.00 20.00 N ATOM 54 CA LYS A -4 -61.638 11.923 29.454 1.00 20.00 C ATOM 55 C LYS A -4 -60.139 12.189 29.518 1.00 20.00 C ATOM 56 O LYS A -4 -59.682 13.314 29.320 1.00 20.00 O ATOM 57 CB LYS A -4 -62.273 12.753 28.340 1.00 20.00 C ATOM 58 CG LYS A -4 -63.753 12.465 28.132 1.00 20.00 C ATOM 59 CD LYS A -4 -64.396 13.514 27.245 1.00 20.00 C ATOM 60 CE LYS A -4 -65.873 13.236 27.032 1.00 20.00 C ATOM 61 NZ LYS A -4 -66.542 14.350 26.314 1.00 20.00 N ATOM 0 H LYS A -4 -62.205 13.197 31.012 1.00 20.00 H new ATOM 0 HA LYS A -4 -61.778 10.863 29.244 1.00 20.00 H new ATOM 0 HB2 LYS A -4 -62.146 13.811 28.570 1.00 20.00 H new ATOM 0 HB3 LYS A -4 -61.740 12.563 27.408 1.00 20.00 H new ATOM 0 HG2 LYS A -4 -63.875 11.480 27.682 1.00 20.00 H new ATOM 0 HG3 LYS A -4 -64.260 12.440 29.096 1.00 20.00 H new ATOM 0 HD2 LYS A -4 -64.272 14.499 27.696 1.00 20.00 H new ATOM 0 HD3 LYS A -4 -63.887 13.538 26.281 1.00 20.00 H new ATOM 0 HE2 LYS A -4 -65.992 12.313 26.464 1.00 20.00 H new ATOM 0 HE3 LYS A -4 -66.357 13.081 27.996 1.00 20.00 H new ATOM 0 HZ1 LYS A -4 -67.549 14.125 26.186 1.00 20.00 H new ATOM 0 HZ2 LYS A -4 -66.450 15.225 26.868 1.00 20.00 H new ATOM 0 HZ3 LYS A -4 -66.096 14.481 25.384 1.00 20.00 H new ATOM 75 N ASP A -3 -59.383 11.149 29.820 1.00 20.00 N ATOM 76 CA ASP A -3 -57.925 11.218 29.791 1.00 20.00 C ATOM 77 C ASP A -3 -57.394 10.366 28.648 1.00 20.00 C ATOM 78 O ASP A -3 -56.188 10.302 28.407 1.00 20.00 O ATOM 79 CB ASP A -3 -57.320 10.735 31.115 1.00 20.00 C ATOM 80 CG ASP A -3 -57.566 11.688 32.267 1.00 20.00 C ATOM 81 OD1 ASP A -3 -58.639 11.599 32.902 1.00 20.00 O ATOM 82 OD2 ASP A -3 -56.677 12.519 32.558 1.00 20.00 O ATOM 0 H ASP A -3 -59.754 10.238 30.091 1.00 20.00 H new ATOM 0 HA ASP A -3 -57.637 12.259 29.642 1.00 20.00 H new ATOM 0 HB2 ASP A -3 -57.738 9.759 31.363 1.00 20.00 H new ATOM 0 HB3 ASP A -3 -56.246 10.599 30.988 1.00 20.00 H new ATOM 87 N ASP A -2 -58.313 9.720 27.947 1.00 20.00 N ATOM 88 CA ASP A -2 -57.973 8.803 26.865 1.00 20.00 C ATOM 89 C ASP A -2 -58.798 9.141 25.624 1.00 20.00 C ATOM 90 O ASP A -2 -59.208 8.255 24.877 1.00 20.00 O ATOM 91 CB ASP A -2 -58.220 7.350 27.301 1.00 20.00 C ATOM 92 CG ASP A -2 -57.515 6.331 26.419 1.00 20.00 C ATOM 93 OD1 ASP A -2 -56.353 5.978 26.724 1.00 20.00 O ATOM 94 OD2 ASP A -2 -58.118 5.863 25.433 1.00 20.00 O ATOM 0 H ASP A -2 -59.315 9.815 28.110 1.00 20.00 H new ATOM 0 HA ASP A -2 -56.916 8.911 26.623 1.00 20.00 H new ATOM 0 HB2 ASP A -2 -57.884 7.224 28.330 1.00 20.00 H new ATOM 0 HB3 ASP A -2 -59.292 7.151 27.289 1.00 20.00 H new ATOM 99 N ASP A -1 -59.076 10.437 25.449 1.00 20.00 N ATOM 100 CA ASP A -1 -59.920 10.930 24.349 1.00 20.00 C ATOM 101 C ASP A -1 -59.642 10.218 23.037 1.00 20.00 C ATOM 102 O ASP A -1 -58.555 10.339 22.467 1.00 20.00 O ATOM 103 CB ASP A -1 -59.725 12.431 24.125 1.00 20.00 C ATOM 104 CG ASP A -1 -60.647 13.281 24.968 1.00 20.00 C ATOM 105 OD1 ASP A -1 -61.805 13.496 24.557 1.00 20.00 O ATOM 106 OD2 ASP A -1 -60.209 13.760 26.031 1.00 20.00 O ATOM 0 H ASP A -1 -58.725 11.173 26.062 1.00 20.00 H new ATOM 0 HA ASP A -1 -60.946 10.725 24.654 1.00 20.00 H new ATOM 0 HB2 ASP A -1 -58.691 12.694 24.349 1.00 20.00 H new ATOM 0 HB3 ASP A -1 -59.891 12.660 23.072 1.00 20.00 H new ATOM 111 N ASP A 0 -60.637 9.488 22.555 1.00 20.00 N ATOM 112 CA ASP A 0 -60.542 8.818 21.266 1.00 20.00 C ATOM 113 C ASP A 0 -60.818 9.809 20.141 1.00 20.00 C ATOM 114 O ASP A 0 -60.728 9.475 18.959 1.00 20.00 O ATOM 115 CB ASP A 0 -61.514 7.634 21.189 1.00 20.00 C ATOM 116 CG ASP A 0 -62.965 8.050 21.320 1.00 20.00 C ATOM 117 OD1 ASP A 0 -63.402 8.352 22.451 1.00 20.00 O ATOM 118 OD2 ASP A 0 -63.683 8.060 20.297 1.00 20.00 O ATOM 0 H ASP A 0 -61.523 9.344 23.039 1.00 20.00 H new ATOM 0 HA ASP A 0 -59.530 8.429 21.154 1.00 20.00 H new ATOM 0 HB2 ASP A 0 -61.374 7.117 20.239 1.00 20.00 H new ATOM 0 HB3 ASP A 0 -61.273 6.922 21.978 1.00 20.00 H new ATOM 123 N LYS A 1 -61.162 11.034 20.524 1.00 20.00 N ATOM 124 CA LYS A 1 -61.320 12.121 19.568 1.00 20.00 C ATOM 125 C LYS A 1 -59.959 12.698 19.207 1.00 20.00 C ATOM 126 O LYS A 1 -59.768 13.242 18.120 1.00 20.00 O ATOM 127 CB LYS A 1 -62.223 13.224 20.129 1.00 20.00 C ATOM 128 CG LYS A 1 -63.685 12.822 20.241 1.00 20.00 C ATOM 129 CD LYS A 1 -64.547 13.981 20.713 1.00 20.00 C ATOM 130 CE LYS A 1 -66.023 13.609 20.747 1.00 20.00 C ATOM 131 NZ LYS A 1 -66.294 12.468 21.663 1.00 20.00 N ATOM 0 H LYS A 1 -61.337 11.298 21.494 1.00 20.00 H new ATOM 0 HA LYS A 1 -61.792 11.718 18.672 1.00 20.00 H new ATOM 0 HB2 LYS A 1 -61.859 13.513 21.115 1.00 20.00 H new ATOM 0 HB3 LYS A 1 -62.146 14.104 19.490 1.00 20.00 H new ATOM 0 HG2 LYS A 1 -64.042 12.472 19.272 1.00 20.00 H new ATOM 0 HG3 LYS A 1 -63.782 11.988 20.937 1.00 20.00 H new ATOM 0 HD2 LYS A 1 -64.227 14.291 21.708 1.00 20.00 H new ATOM 0 HD3 LYS A 1 -64.402 14.835 20.051 1.00 20.00 H new ATOM 0 HE2 LYS A 1 -66.607 14.473 21.064 1.00 20.00 H new ATOM 0 HE3 LYS A 1 -66.354 13.352 19.741 1.00 20.00 H new ATOM 0 HZ1 LYS A 1 -67.321 12.347 21.773 1.00 20.00 H new ATOM 0 HZ2 LYS A 1 -65.884 11.599 21.266 1.00 20.00 H new ATOM 0 HZ3 LYS A 1 -65.867 12.659 22.592 1.00 20.00 H new ATOM 145 N ASN A 2 -59.009 12.569 20.124 1.00 20.00 N ATOM 146 CA ASN A 2 -57.657 13.045 19.878 1.00 20.00 C ATOM 147 C ASN A 2 -56.914 12.022 19.033 1.00 20.00 C ATOM 148 O ASN A 2 -56.359 11.057 19.554 1.00 20.00 O ATOM 149 CB ASN A 2 -56.903 13.279 21.191 1.00 20.00 C ATOM 150 CG ASN A 2 -55.608 14.053 20.991 1.00 20.00 C ATOM 151 OD1 ASN A 2 -55.009 14.034 19.915 1.00 20.00 O ATOM 152 ND2 ASN A 2 -55.160 14.737 22.034 1.00 20.00 N ATOM 0 H ASN A 2 -59.150 12.141 21.039 1.00 20.00 H new ATOM 0 HA ASN A 2 -57.714 13.997 19.350 1.00 20.00 H new ATOM 0 HB2 ASN A 2 -57.545 13.825 21.882 1.00 20.00 H new ATOM 0 HB3 ASN A 2 -56.680 12.318 21.654 1.00 20.00 H new ATOM 0 HD21 ASN A 2 -54.293 15.270 21.960 1.00 20.00 H new ATOM 0 HD22 ASN A 2 -55.682 14.731 22.910 1.00 20.00 H new ATOM 159 N ARG A 3 -56.926 12.225 17.730 1.00 20.00 N ATOM 160 CA ARG A 3 -56.278 11.309 16.815 1.00 20.00 C ATOM 161 C ARG A 3 -55.352 12.076 15.887 1.00 20.00 C ATOM 162 O ARG A 3 -55.467 13.299 15.769 1.00 20.00 O ATOM 163 CB ARG A 3 -57.326 10.520 16.022 1.00 20.00 C ATOM 164 CG ARG A 3 -58.270 11.386 15.201 1.00 20.00 C ATOM 165 CD ARG A 3 -59.409 10.564 14.625 1.00 20.00 C ATOM 166 NE ARG A 3 -58.924 9.429 13.846 1.00 20.00 N ATOM 167 CZ ARG A 3 -59.646 8.345 13.578 1.00 20.00 C ATOM 168 NH1 ARG A 3 -60.895 8.248 14.017 1.00 20.00 N ATOM 169 NH2 ARG A 3 -59.116 7.359 12.869 1.00 20.00 N ATOM 0 H ARG A 3 -57.380 13.020 17.281 1.00 20.00 H new ATOM 0 HA ARG A 3 -55.681 10.596 17.383 1.00 20.00 H new ATOM 0 HB2 ARG A 3 -56.814 9.827 15.355 1.00 20.00 H new ATOM 0 HB3 ARG A 3 -57.914 9.919 16.716 1.00 20.00 H new ATOM 0 HG2 ARG A 3 -58.673 12.183 15.826 1.00 20.00 H new ATOM 0 HG3 ARG A 3 -57.718 11.864 14.392 1.00 20.00 H new ATOM 0 HD2 ARG A 3 -60.042 10.203 15.436 1.00 20.00 H new ATOM 0 HD3 ARG A 3 -60.031 11.198 13.993 1.00 20.00 H new ATOM 0 HE ARG A 3 -57.971 9.470 13.484 1.00 20.00 H new ATOM 0 HH11 ARG A 3 -61.304 9.007 14.562 1.00 20.00 H new ATOM 0 HH12 ARG A 3 -61.445 7.415 13.809 1.00 20.00 H new ATOM 0 HH21 ARG A 3 -58.157 7.433 12.530 1.00 20.00 H new ATOM 0 HH22 ARG A 3 -59.667 6.526 12.662 1.00 20.00 H new ATOM 183 N ALA A 4 -54.428 11.358 15.251 1.00 20.00 N ATOM 184 CA ALA A 4 -53.425 11.966 14.382 1.00 20.00 C ATOM 185 C ALA A 4 -52.597 12.987 15.156 1.00 20.00 C ATOM 186 O ALA A 4 -52.281 14.068 14.657 1.00 20.00 O ATOM 187 CB ALA A 4 -54.077 12.602 13.165 1.00 20.00 C ATOM 0 H ALA A 4 -54.354 10.343 15.324 1.00 20.00 H new ATOM 0 HA ALA A 4 -52.755 11.182 14.029 1.00 20.00 H new ATOM 0 HB1 ALA A 4 -53.310 13.048 12.533 1.00 20.00 H new ATOM 0 HB2 ALA A 4 -54.614 11.840 12.600 1.00 20.00 H new ATOM 0 HB3 ALA A 4 -54.775 13.374 13.488 1.00 20.00 H new ATOM 193 N LEU A 5 -52.245 12.629 16.382 1.00 20.00 N ATOM 194 CA LEU A 5 -51.455 13.495 17.239 1.00 20.00 C ATOM 195 C LEU A 5 -49.996 13.069 17.193 1.00 20.00 C ATOM 196 O LEU A 5 -49.326 12.949 18.217 1.00 20.00 O ATOM 197 CB LEU A 5 -51.979 13.488 18.689 1.00 20.00 C ATOM 198 CG LEU A 5 -51.946 12.138 19.430 1.00 20.00 C ATOM 199 CD1 LEU A 5 -51.945 12.363 20.934 1.00 20.00 C ATOM 200 CD2 LEU A 5 -53.136 11.267 19.051 1.00 20.00 C ATOM 0 H LEU A 5 -52.497 11.737 16.807 1.00 20.00 H new ATOM 0 HA LEU A 5 -51.543 14.516 16.868 1.00 20.00 H new ATOM 0 HB2 LEU A 5 -51.396 14.207 19.265 1.00 20.00 H new ATOM 0 HB3 LEU A 5 -53.008 13.846 18.681 1.00 20.00 H new ATOM 0 HG LEU A 5 -51.032 11.623 19.135 1.00 20.00 H new ATOM 0 HD11 LEU A 5 -51.922 11.401 21.446 1.00 20.00 H new ATOM 0 HD12 LEU A 5 -51.067 12.945 21.214 1.00 20.00 H new ATOM 0 HD13 LEU A 5 -52.846 12.905 21.221 1.00 20.00 H new ATOM 0 HD21 LEU A 5 -53.082 10.322 19.592 1.00 20.00 H new ATOM 0 HD22 LEU A 5 -54.061 11.782 19.311 1.00 20.00 H new ATOM 0 HD23 LEU A 5 -53.118 11.073 17.979 1.00 20.00 H new ATOM 212 N SER A 6 -49.515 12.839 15.986 1.00 20.00 N ATOM 213 CA SER A 6 -48.161 12.369 15.780 1.00 20.00 C ATOM 214 C SER A 6 -47.280 13.490 15.233 1.00 20.00 C ATOM 215 O SER A 6 -47.620 14.124 14.233 1.00 20.00 O ATOM 216 CB SER A 6 -48.172 11.182 14.820 1.00 20.00 C ATOM 217 OG SER A 6 -49.053 10.169 15.277 1.00 20.00 O ATOM 0 H SER A 6 -50.049 12.972 15.127 1.00 20.00 H new ATOM 0 HA SER A 6 -47.747 12.051 16.737 1.00 20.00 H new ATOM 0 HB2 SER A 6 -48.477 11.515 13.828 1.00 20.00 H new ATOM 0 HB3 SER A 6 -47.164 10.777 14.724 1.00 20.00 H new ATOM 0 HG SER A 6 -49.045 9.419 14.646 1.00 20.00 H new ATOM 223 N PRO A 7 -46.143 13.754 15.897 1.00 20.00 N ATOM 224 CA PRO A 7 -45.189 14.785 15.469 1.00 20.00 C ATOM 225 C PRO A 7 -44.576 14.469 14.108 1.00 20.00 C ATOM 226 O PRO A 7 -44.568 13.314 13.672 1.00 20.00 O ATOM 227 CB PRO A 7 -44.106 14.758 16.557 1.00 20.00 C ATOM 228 CG PRO A 7 -44.250 13.437 17.224 1.00 20.00 C ATOM 229 CD PRO A 7 -45.701 13.068 17.122 1.00 20.00 C ATOM 0 HA PRO A 7 -45.669 15.757 15.356 1.00 20.00 H new ATOM 0 HB2 PRO A 7 -43.112 14.874 16.125 1.00 20.00 H new ATOM 0 HB3 PRO A 7 -44.242 15.574 17.267 1.00 20.00 H new ATOM 0 HG2 PRO A 7 -43.624 12.687 16.741 1.00 20.00 H new ATOM 0 HG3 PRO A 7 -43.935 13.492 18.266 1.00 20.00 H new ATOM 0 HD2 PRO A 7 -45.837 11.989 17.049 1.00 20.00 H new ATOM 0 HD3 PRO A 7 -46.263 13.402 17.994 1.00 20.00 H new ATOM 237 N MET A 8 -44.061 15.495 13.441 1.00 20.00 N ATOM 238 CA MET A 8 -43.485 15.335 12.112 1.00 20.00 C ATOM 239 C MET A 8 -42.086 14.733 12.209 1.00 20.00 C ATOM 240 O MET A 8 -41.079 15.418 12.029 1.00 20.00 O ATOM 241 CB MET A 8 -43.443 16.679 11.378 1.00 20.00 C ATOM 242 CG MET A 8 -43.012 16.571 9.925 1.00 20.00 C ATOM 243 SD MET A 8 -42.953 18.172 9.096 1.00 20.00 S ATOM 244 CE MET A 8 -42.461 17.674 7.447 1.00 20.00 C ATOM 0 H MET A 8 -44.031 16.449 13.800 1.00 20.00 H new ATOM 0 HA MET A 8 -44.116 14.654 11.541 1.00 20.00 H new ATOM 0 HB2 MET A 8 -44.431 17.137 11.421 1.00 20.00 H new ATOM 0 HB3 MET A 8 -42.759 17.347 11.901 1.00 20.00 H new ATOM 0 HG2 MET A 8 -42.028 16.104 9.876 1.00 20.00 H new ATOM 0 HG3 MET A 8 -43.702 15.916 9.393 1.00 20.00 H new ATOM 0 HE1 MET A 8 -42.380 18.555 6.810 1.00 20.00 H new ATOM 0 HE2 MET A 8 -41.496 17.169 7.492 1.00 20.00 H new ATOM 0 HE3 MET A 8 -43.207 16.995 7.034 1.00 20.00 H new ATOM 254 N VAL A 9 -42.041 13.451 12.532 1.00 20.00 N ATOM 255 CA VAL A 9 -40.795 12.710 12.615 1.00 20.00 C ATOM 256 C VAL A 9 -40.945 11.376 11.891 1.00 20.00 C ATOM 257 O VAL A 9 -42.026 10.786 11.886 1.00 20.00 O ATOM 258 CB VAL A 9 -40.364 12.467 14.082 1.00 20.00 C ATOM 259 CG1 VAL A 9 -39.908 13.764 14.735 1.00 20.00 C ATOM 260 CG2 VAL A 9 -41.498 11.848 14.886 1.00 20.00 C ATOM 0 H VAL A 9 -42.869 12.895 12.744 1.00 20.00 H new ATOM 0 HA VAL A 9 -40.018 13.308 12.139 1.00 20.00 H new ATOM 0 HB VAL A 9 -39.526 11.770 14.071 1.00 20.00 H new ATOM 0 HG11 VAL A 9 -39.610 13.568 15.765 1.00 20.00 H new ATOM 0 HG12 VAL A 9 -39.060 14.171 14.183 1.00 20.00 H new ATOM 0 HG13 VAL A 9 -40.726 14.484 14.725 1.00 20.00 H new ATOM 0 HG21 VAL A 9 -41.170 11.687 15.913 1.00 20.00 H new ATOM 0 HG22 VAL A 9 -42.357 12.519 14.880 1.00 20.00 H new ATOM 0 HG23 VAL A 9 -41.780 10.894 14.442 1.00 20.00 H new ATOM 270 N SER A 10 -39.878 10.918 11.261 1.00 20.00 N ATOM 271 CA SER A 10 -39.927 9.686 10.490 1.00 20.00 C ATOM 272 C SER A 10 -38.622 8.911 10.625 1.00 20.00 C ATOM 273 O SER A 10 -37.549 9.436 10.326 1.00 20.00 O ATOM 274 CB SER A 10 -40.202 10.011 9.019 1.00 20.00 C ATOM 275 OG SER A 10 -39.332 11.033 8.556 1.00 20.00 O ATOM 0 H SER A 10 -38.968 11.379 11.267 1.00 20.00 H new ATOM 0 HA SER A 10 -40.732 9.062 10.877 1.00 20.00 H new ATOM 0 HB2 SER A 10 -40.071 9.114 8.413 1.00 20.00 H new ATOM 0 HB3 SER A 10 -41.238 10.328 8.900 1.00 20.00 H new ATOM 0 HG SER A 10 -38.438 10.898 8.935 1.00 20.00 H new ATOM 281 N GLU A 11 -38.714 7.671 11.081 1.00 20.00 N ATOM 282 CA GLU A 11 -37.535 6.835 11.256 1.00 20.00 C ATOM 283 C GLU A 11 -37.152 6.167 9.940 1.00 20.00 C ATOM 284 O GLU A 11 -37.549 5.034 9.664 1.00 20.00 O ATOM 285 CB GLU A 11 -37.787 5.766 12.322 1.00 20.00 C ATOM 286 CG GLU A 11 -38.215 6.325 13.668 1.00 20.00 C ATOM 287 CD GLU A 11 -37.201 7.286 14.253 1.00 20.00 C ATOM 288 OE1 GLU A 11 -36.200 6.820 14.835 1.00 20.00 O ATOM 289 OE2 GLU A 11 -37.403 8.513 14.140 1.00 20.00 O ATOM 0 H GLU A 11 -39.593 7.221 11.337 1.00 20.00 H new ATOM 0 HA GLU A 11 -36.714 7.473 11.582 1.00 20.00 H new ATOM 0 HB2 GLU A 11 -38.557 5.083 11.962 1.00 20.00 H new ATOM 0 HB3 GLU A 11 -36.878 5.180 12.456 1.00 20.00 H new ATOM 0 HG2 GLU A 11 -39.171 6.836 13.557 1.00 20.00 H new ATOM 0 HG3 GLU A 11 -38.373 5.502 14.365 1.00 20.00 H new ATOM 296 N PHE A 12 -36.377 6.869 9.129 1.00 20.00 N ATOM 297 CA PHE A 12 -35.954 6.346 7.836 1.00 20.00 C ATOM 298 C PHE A 12 -34.706 5.479 7.993 1.00 20.00 C ATOM 299 O PHE A 12 -33.695 5.671 7.318 1.00 20.00 O ATOM 300 CB PHE A 12 -35.722 7.490 6.834 1.00 20.00 C ATOM 301 CG PHE A 12 -34.783 8.578 7.308 1.00 20.00 C ATOM 302 CD1 PHE A 12 -35.235 9.596 8.136 1.00 20.00 C ATOM 303 CD2 PHE A 12 -33.452 8.590 6.912 1.00 20.00 C ATOM 304 CE1 PHE A 12 -34.381 10.594 8.562 1.00 20.00 C ATOM 305 CE2 PHE A 12 -32.596 9.588 7.334 1.00 20.00 C ATOM 306 CZ PHE A 12 -33.061 10.590 8.160 1.00 20.00 C ATOM 0 H PHE A 12 -36.027 7.803 9.342 1.00 20.00 H new ATOM 0 HA PHE A 12 -36.750 5.717 7.438 1.00 20.00 H new ATOM 0 HB2 PHE A 12 -35.327 7.068 5.910 1.00 20.00 H new ATOM 0 HB3 PHE A 12 -36.684 7.942 6.593 1.00 20.00 H new ATOM 0 HD1 PHE A 12 -36.268 9.608 8.451 1.00 20.00 H new ATOM 0 HD2 PHE A 12 -33.081 7.808 6.265 1.00 20.00 H new ATOM 0 HE1 PHE A 12 -34.746 11.377 9.210 1.00 20.00 H new ATOM 0 HE2 PHE A 12 -31.563 9.584 7.018 1.00 20.00 H new ATOM 0 HZ PHE A 12 -32.393 11.371 8.492 1.00 20.00 H new ATOM 316 N GLU A 13 -34.803 4.494 8.871 1.00 20.00 N ATOM 317 CA GLU A 13 -33.670 3.641 9.208 1.00 20.00 C ATOM 318 C GLU A 13 -33.601 2.435 8.277 1.00 20.00 C ATOM 319 O GLU A 13 -33.315 1.315 8.702 1.00 20.00 O ATOM 320 CB GLU A 13 -33.769 3.182 10.664 1.00 20.00 C ATOM 321 CG GLU A 13 -33.779 4.329 11.666 1.00 20.00 C ATOM 322 CD GLU A 13 -32.543 5.202 11.567 1.00 20.00 C ATOM 323 OE1 GLU A 13 -31.513 4.850 12.179 1.00 20.00 O ATOM 324 OE2 GLU A 13 -32.596 6.247 10.884 1.00 20.00 O ATOM 0 H GLU A 13 -35.663 4.262 9.369 1.00 20.00 H new ATOM 0 HA GLU A 13 -32.756 4.221 9.082 1.00 20.00 H new ATOM 0 HB2 GLU A 13 -34.678 2.593 10.790 1.00 20.00 H new ATOM 0 HB3 GLU A 13 -32.929 2.524 10.886 1.00 20.00 H new ATOM 0 HG2 GLU A 13 -34.666 4.941 11.502 1.00 20.00 H new ATOM 0 HG3 GLU A 13 -33.853 3.924 12.675 1.00 20.00 H new ATOM 331 N THR A 14 -33.860 2.677 7.006 1.00 20.00 N ATOM 332 CA THR A 14 -33.822 1.631 6.007 1.00 20.00 C ATOM 333 C THR A 14 -32.497 1.664 5.257 1.00 20.00 C ATOM 334 O THR A 14 -32.411 2.160 4.129 1.00 20.00 O ATOM 335 CB THR A 14 -34.988 1.785 5.014 1.00 20.00 C ATOM 336 OG1 THR A 14 -35.025 3.126 4.515 1.00 20.00 O ATOM 337 CG2 THR A 14 -36.315 1.452 5.678 1.00 20.00 C ATOM 0 H THR A 14 -34.101 3.598 6.641 1.00 20.00 H new ATOM 0 HA THR A 14 -33.920 0.672 6.515 1.00 20.00 H new ATOM 0 HB THR A 14 -34.829 1.090 4.189 1.00 20.00 H new ATOM 0 HG1 THR A 14 -34.150 3.360 4.140 1.00 20.00 H new ATOM 0 HG21 THR A 14 -37.123 1.569 4.955 1.00 20.00 H new ATOM 0 HG22 THR A 14 -36.294 0.423 6.036 1.00 20.00 H new ATOM 0 HG23 THR A 14 -36.480 2.126 6.519 1.00 20.00 H new ATOM 345 N ILE A 15 -31.454 1.159 5.903 1.00 20.00 N ATOM 346 CA ILE A 15 -30.133 1.128 5.302 1.00 20.00 C ATOM 347 C ILE A 15 -30.097 0.088 4.187 1.00 20.00 C ATOM 348 O ILE A 15 -30.047 -1.116 4.444 1.00 20.00 O ATOM 349 CB ILE A 15 -29.016 0.815 6.327 1.00 20.00 C ATOM 350 CG1 ILE A 15 -29.065 1.764 7.533 1.00 20.00 C ATOM 351 CG2 ILE A 15 -27.655 0.913 5.657 1.00 20.00 C ATOM 352 CD1 ILE A 15 -30.031 1.345 8.622 1.00 20.00 C ATOM 0 H ILE A 15 -31.500 0.766 6.843 1.00 20.00 H new ATOM 0 HA ILE A 15 -29.943 2.124 4.903 1.00 20.00 H new ATOM 0 HB ILE A 15 -29.179 -0.199 6.691 1.00 20.00 H new ATOM 0 HG12 ILE A 15 -28.065 1.840 7.961 1.00 20.00 H new ATOM 0 HG13 ILE A 15 -29.339 2.760 7.185 1.00 20.00 H new ATOM 0 HG21 ILE A 15 -26.874 0.691 6.385 1.00 20.00 H new ATOM 0 HG22 ILE A 15 -27.601 0.197 4.837 1.00 20.00 H new ATOM 0 HG23 ILE A 15 -27.513 1.921 5.268 1.00 20.00 H new ATOM 0 HD11 ILE A 15 -30.001 2.071 9.434 1.00 20.00 H new ATOM 0 HD12 ILE A 15 -31.041 1.298 8.214 1.00 20.00 H new ATOM 0 HD13 ILE A 15 -29.747 0.364 9.002 1.00 20.00 H new ATOM 364 N GLU A 16 -30.120 0.568 2.952 1.00 20.00 N ATOM 365 CA GLU A 16 -30.179 -0.296 1.781 1.00 20.00 C ATOM 366 C GLU A 16 -28.930 -1.168 1.681 1.00 20.00 C ATOM 367 O GLU A 16 -29.011 -2.336 1.301 1.00 20.00 O ATOM 368 CB GLU A 16 -30.366 0.537 0.501 1.00 20.00 C ATOM 369 CG GLU A 16 -29.172 1.406 0.114 1.00 20.00 C ATOM 370 CD GLU A 16 -28.840 2.463 1.146 1.00 20.00 C ATOM 371 OE1 GLU A 16 -29.449 3.549 1.112 1.00 20.00 O ATOM 372 OE2 GLU A 16 -27.976 2.208 2.011 1.00 20.00 O ATOM 0 H GLU A 16 -30.098 1.564 2.733 1.00 20.00 H new ATOM 0 HA GLU A 16 -31.041 -0.955 1.890 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -30.586 -0.139 -0.325 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -31.237 1.180 0.628 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -28.301 0.768 -0.036 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -29.379 1.892 -0.840 1.00 20.00 H new ATOM 379 N GLN A 17 -27.782 -0.598 2.037 1.00 20.00 N ATOM 380 CA GLN A 17 -26.525 -1.339 2.038 1.00 20.00 C ATOM 381 C GLN A 17 -26.601 -2.512 3.004 1.00 20.00 C ATOM 382 O GLN A 17 -26.224 -3.630 2.668 1.00 20.00 O ATOM 383 CB GLN A 17 -25.356 -0.430 2.428 1.00 20.00 C ATOM 384 CG GLN A 17 -24.021 -1.156 2.503 1.00 20.00 C ATOM 385 CD GLN A 17 -22.909 -0.284 3.052 1.00 20.00 C ATOM 386 OE1 GLN A 17 -22.218 0.404 2.303 1.00 20.00 O ATOM 387 NE2 GLN A 17 -22.726 -0.305 4.363 1.00 20.00 N ATOM 0 H GLN A 17 -27.697 0.376 2.329 1.00 20.00 H new ATOM 0 HA GLN A 17 -26.357 -1.714 1.029 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -25.279 0.381 1.704 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -25.568 0.026 3.395 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -24.128 -2.040 3.132 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -23.746 -1.505 1.508 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -23.320 -0.889 4.952 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -21.991 0.263 4.784 1.00 20.00 H new ATOM 396 N GLU A 18 -27.121 -2.244 4.192 1.00 20.00 N ATOM 397 CA GLU A 18 -27.203 -3.245 5.245 1.00 20.00 C ATOM 398 C GLU A 18 -28.141 -4.372 4.830 1.00 20.00 C ATOM 399 O GLU A 18 -27.833 -5.550 5.004 1.00 20.00 O ATOM 400 CB GLU A 18 -27.693 -2.594 6.544 1.00 20.00 C ATOM 401 CG GLU A 18 -27.652 -3.512 7.753 1.00 20.00 C ATOM 402 CD GLU A 18 -26.257 -4.015 8.054 1.00 20.00 C ATOM 403 OE1 GLU A 18 -25.293 -3.229 7.920 1.00 20.00 O ATOM 404 OE2 GLU A 18 -26.121 -5.192 8.448 1.00 20.00 O ATOM 0 H GLU A 18 -27.496 -1.332 4.453 1.00 20.00 H new ATOM 0 HA GLU A 18 -26.212 -3.666 5.413 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -27.083 -1.714 6.749 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -28.716 -2.247 6.400 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -28.038 -2.979 8.622 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -28.312 -4.362 7.582 1.00 20.00 H new ATOM 411 N ASN A 19 -29.272 -3.997 4.245 1.00 20.00 N ATOM 412 CA ASN A 19 -30.284 -4.969 3.839 1.00 20.00 C ATOM 413 C ASN A 19 -29.850 -5.734 2.592 1.00 20.00 C ATOM 414 O ASN A 19 -30.427 -6.768 2.250 1.00 20.00 O ATOM 415 CB ASN A 19 -31.634 -4.283 3.617 1.00 20.00 C ATOM 416 CG ASN A 19 -32.213 -3.731 4.910 1.00 20.00 C ATOM 417 OD1 ASN A 19 -31.941 -4.246 5.996 1.00 20.00 O ATOM 418 ND2 ASN A 19 -33.018 -2.683 4.807 1.00 20.00 N ATOM 0 H ASN A 19 -29.513 -3.027 4.040 1.00 20.00 H new ATOM 0 HA ASN A 19 -30.396 -5.692 4.647 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.515 -3.472 2.898 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -32.335 -4.995 3.181 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -33.435 -2.276 5.644 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -33.220 -2.283 3.891 1.00 20.00 H new ATOM 425 N SER A 20 -28.838 -5.224 1.905 1.00 20.00 N ATOM 426 CA SER A 20 -28.252 -5.945 0.786 1.00 20.00 C ATOM 427 C SER A 20 -27.113 -6.834 1.275 1.00 20.00 C ATOM 428 O SER A 20 -26.982 -7.987 0.854 1.00 20.00 O ATOM 429 CB SER A 20 -27.743 -4.967 -0.280 1.00 20.00 C ATOM 430 OG SER A 20 -28.785 -4.124 -0.740 1.00 20.00 O ATOM 0 H SER A 20 -28.408 -4.320 2.101 1.00 20.00 H new ATOM 0 HA SER A 20 -29.022 -6.572 0.336 1.00 20.00 H new ATOM 0 HB2 SER A 20 -26.937 -4.361 0.134 1.00 20.00 H new ATOM 0 HB3 SER A 20 -27.325 -5.524 -1.119 1.00 20.00 H new ATOM 0 HG SER A 20 -28.853 -3.340 -0.156 1.00 20.00 H new ATOM 436 N TYR A 21 -26.315 -6.301 2.192 1.00 20.00 N ATOM 437 CA TYR A 21 -25.126 -6.985 2.674 1.00 20.00 C ATOM 438 C TYR A 21 -25.476 -8.147 3.594 1.00 20.00 C ATOM 439 O TYR A 21 -24.798 -9.171 3.577 1.00 20.00 O ATOM 440 CB TYR A 21 -24.199 -6.004 3.399 1.00 20.00 C ATOM 441 CG TYR A 21 -22.922 -6.639 3.910 1.00 20.00 C ATOM 442 CD1 TYR A 21 -21.914 -7.019 3.032 1.00 20.00 C ATOM 443 CD2 TYR A 21 -22.724 -6.853 5.267 1.00 20.00 C ATOM 444 CE1 TYR A 21 -20.747 -7.597 3.494 1.00 20.00 C ATOM 445 CE2 TYR A 21 -21.560 -7.429 5.736 1.00 20.00 C ATOM 446 CZ TYR A 21 -20.575 -7.799 4.846 1.00 20.00 C ATOM 447 OH TYR A 21 -19.411 -8.370 5.312 1.00 20.00 O ATOM 0 H TYR A 21 -26.474 -5.388 2.619 1.00 20.00 H new ATOM 0 HA TYR A 21 -24.610 -7.391 1.804 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -23.944 -5.190 2.721 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -24.736 -5.563 4.238 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -22.045 -6.860 1.972 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -23.493 -6.564 5.968 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -19.974 -7.889 2.799 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -21.422 -7.589 6.795 1.00 20.00 H new ATOM 0 HH TYR A 21 -19.450 -8.441 6.289 1.00 20.00 H new ATOM 457 N ASN A 22 -26.529 -8.002 4.395 1.00 20.00 N ATOM 458 CA ASN A 22 -26.919 -9.068 5.318 1.00 20.00 C ATOM 459 C ASN A 22 -27.308 -10.319 4.535 1.00 20.00 C ATOM 460 O ASN A 22 -27.081 -11.441 4.980 1.00 20.00 O ATOM 461 CB ASN A 22 -28.069 -8.626 6.241 1.00 20.00 C ATOM 462 CG ASN A 22 -29.443 -8.743 5.603 1.00 20.00 C ATOM 463 OD1 ASN A 22 -29.915 -7.818 4.947 1.00 20.00 O ATOM 464 ND2 ASN A 22 -30.098 -9.875 5.805 1.00 20.00 N ATOM 0 H ASN A 22 -27.120 -7.171 4.425 1.00 20.00 H new ATOM 0 HA ASN A 22 -26.062 -9.296 5.952 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -28.047 -9.229 7.149 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -27.905 -7.591 6.542 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -31.030 -10.003 5.410 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -29.671 -10.620 6.356 1.00 20.00 H new ATOM 471 N GLU A 23 -27.868 -10.109 3.349 1.00 20.00 N ATOM 472 CA GLU A 23 -28.216 -11.206 2.456 1.00 20.00 C ATOM 473 C GLU A 23 -26.959 -11.902 1.953 1.00 20.00 C ATOM 474 O GLU A 23 -26.929 -13.122 1.791 1.00 20.00 O ATOM 475 CB GLU A 23 -29.038 -10.688 1.279 1.00 20.00 C ATOM 476 CG GLU A 23 -30.447 -10.272 1.660 1.00 20.00 C ATOM 477 CD GLU A 23 -31.281 -11.445 2.128 1.00 20.00 C ATOM 478 OE1 GLU A 23 -31.885 -12.126 1.274 1.00 20.00 O ATOM 479 OE2 GLU A 23 -31.338 -11.696 3.349 1.00 20.00 O ATOM 0 H GLU A 23 -28.091 -9.184 2.983 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.814 -11.928 3.012 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -28.524 -9.836 0.834 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -29.091 -11.463 0.514 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -30.402 -9.522 2.450 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -30.930 -9.803 0.803 1.00 20.00 H new ATOM 486 N TRP A 24 -25.921 -11.115 1.715 1.00 20.00 N ATOM 487 CA TRP A 24 -24.640 -11.646 1.282 1.00 20.00 C ATOM 488 C TRP A 24 -23.945 -12.346 2.447 1.00 20.00 C ATOM 489 O TRP A 24 -23.284 -13.368 2.269 1.00 20.00 O ATOM 490 CB TRP A 24 -23.765 -10.519 0.722 1.00 20.00 C ATOM 491 CG TRP A 24 -22.435 -10.983 0.215 1.00 20.00 C ATOM 492 CD1 TRP A 24 -21.206 -10.582 0.654 1.00 20.00 C ATOM 493 CD2 TRP A 24 -22.199 -11.943 -0.820 1.00 20.00 C ATOM 494 NE1 TRP A 24 -20.222 -11.224 -0.054 1.00 20.00 N ATOM 495 CE2 TRP A 24 -20.804 -12.069 -0.961 1.00 20.00 C ATOM 496 CE3 TRP A 24 -23.030 -12.709 -1.642 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -20.226 -12.926 -1.892 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -22.454 -13.561 -2.563 1.00 20.00 C ATOM 499 CH2 TRP A 24 -21.063 -13.664 -2.683 1.00 20.00 C ATOM 0 H TRP A 24 -25.943 -10.100 1.816 1.00 20.00 H new ATOM 0 HA TRP A 24 -24.804 -12.377 0.490 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -24.300 -10.025 -0.089 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -23.607 -9.773 1.501 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -21.034 -9.865 1.443 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -19.219 -11.093 0.074 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -24.104 -12.636 -1.558 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -19.153 -13.006 -1.987 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -23.087 -14.158 -3.202 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -20.643 -14.339 -3.414 1.00 20.00 H new ATOM 510 N LEU A 25 -24.126 -11.798 3.642 1.00 20.00 N ATOM 511 CA LEU A 25 -23.559 -12.376 4.851 1.00 20.00 C ATOM 512 C LEU A 25 -24.163 -13.754 5.112 1.00 20.00 C ATOM 513 O LEU A 25 -23.468 -14.680 5.539 1.00 20.00 O ATOM 514 CB LEU A 25 -23.818 -11.450 6.046 1.00 20.00 C ATOM 515 CG LEU A 25 -23.111 -11.838 7.347 1.00 20.00 C ATOM 516 CD1 LEU A 25 -21.602 -11.734 7.187 1.00 20.00 C ATOM 517 CD2 LEU A 25 -23.590 -10.956 8.490 1.00 20.00 C ATOM 0 H LEU A 25 -24.666 -10.947 3.799 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.483 -12.487 4.717 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -23.511 -10.440 5.774 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -24.892 -11.418 6.232 1.00 20.00 H new ATOM 0 HG LEU A 25 -23.358 -12.873 7.581 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -21.117 -12.014 8.122 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -21.273 -12.404 6.393 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -21.333 -10.709 6.931 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -23.079 -11.243 9.409 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -23.369 -9.913 8.262 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -24.665 -11.079 8.619 1.00 20.00 H new ATOM 529 N ARG A 26 -25.460 -13.881 4.840 1.00 20.00 N ATOM 530 CA ARG A 26 -26.155 -15.155 4.980 1.00 20.00 C ATOM 531 C ARG A 26 -25.745 -16.112 3.864 1.00 20.00 C ATOM 532 O ARG A 26 -25.624 -17.318 4.081 1.00 20.00 O ATOM 533 CB ARG A 26 -27.676 -14.952 4.958 1.00 20.00 C ATOM 534 CG ARG A 26 -28.216 -14.137 6.126 1.00 20.00 C ATOM 535 CD ARG A 26 -29.728 -13.959 6.034 1.00 20.00 C ATOM 536 NE ARG A 26 -30.252 -13.117 7.111 1.00 20.00 N ATOM 537 CZ ARG A 26 -31.511 -12.680 7.175 1.00 20.00 C ATOM 538 NH1 ARG A 26 -32.387 -13.027 6.241 1.00 20.00 N ATOM 539 NH2 ARG A 26 -31.894 -11.901 8.177 1.00 20.00 N ATOM 0 H ARG A 26 -26.051 -13.113 4.520 1.00 20.00 H new ATOM 0 HA ARG A 26 -25.875 -15.588 5.940 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -27.951 -14.457 4.027 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -28.161 -15.928 4.956 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -27.964 -14.632 7.064 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -27.734 -13.159 6.142 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -29.982 -13.515 5.072 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -30.210 -14.936 6.071 1.00 20.00 H new ATOM 0 HE ARG A 26 -29.614 -12.847 7.860 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -32.099 -13.630 5.470 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -33.349 -12.691 6.294 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -31.226 -11.635 8.900 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -32.857 -11.568 8.225 1.00 20.00 H new ATOM 553 N ALA A 27 -25.513 -15.561 2.676 1.00 20.00 N ATOM 554 CA ALA A 27 -25.110 -16.353 1.517 1.00 20.00 C ATOM 555 C ALA A 27 -23.721 -16.943 1.716 1.00 20.00 C ATOM 556 O ALA A 27 -23.422 -18.036 1.233 1.00 20.00 O ATOM 557 CB ALA A 27 -25.138 -15.503 0.257 1.00 20.00 C ATOM 0 H ALA A 27 -25.598 -14.562 2.490 1.00 20.00 H new ATOM 0 HA ALA A 27 -25.820 -17.173 1.407 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -24.835 -16.109 -0.597 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -26.148 -15.126 0.095 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -24.451 -14.664 0.369 1.00 20.00 H new ATOM 563 N LYS A 28 -22.880 -16.210 2.432 1.00 20.00 N ATOM 564 CA LYS A 28 -21.530 -16.666 2.740 1.00 20.00 C ATOM 565 C LYS A 28 -21.587 -17.921 3.613 1.00 20.00 C ATOM 566 O LYS A 28 -20.687 -18.760 3.585 1.00 20.00 O ATOM 567 CB LYS A 28 -20.742 -15.553 3.443 1.00 20.00 C ATOM 568 CG LYS A 28 -19.296 -15.918 3.747 1.00 20.00 C ATOM 569 CD LYS A 28 -18.564 -14.769 4.422 1.00 20.00 C ATOM 570 CE LYS A 28 -17.108 -15.117 4.713 1.00 20.00 C ATOM 571 NZ LYS A 28 -16.985 -16.285 5.626 1.00 20.00 N ATOM 0 H LYS A 28 -23.110 -15.292 2.813 1.00 20.00 H new ATOM 0 HA LYS A 28 -21.018 -16.914 1.810 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -20.757 -14.660 2.818 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -21.246 -15.298 4.375 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -19.269 -16.797 4.391 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -18.784 -16.184 2.822 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -18.606 -13.886 3.784 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -19.070 -14.513 5.353 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -16.593 -15.333 3.777 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -16.611 -14.255 5.158 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -15.999 -16.373 5.946 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -17.605 -16.149 6.450 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -17.264 -17.151 5.122 1.00 20.00 H new ATOM 585 N VAL A 29 -22.665 -18.046 4.374 1.00 20.00 N ATOM 586 CA VAL A 29 -22.882 -19.217 5.208 1.00 20.00 C ATOM 587 C VAL A 29 -23.626 -20.296 4.431 1.00 20.00 C ATOM 588 O VAL A 29 -23.144 -21.421 4.290 1.00 20.00 O ATOM 589 CB VAL A 29 -23.681 -18.864 6.478 1.00 20.00 C ATOM 590 CG1 VAL A 29 -23.922 -20.101 7.327 1.00 20.00 C ATOM 591 CG2 VAL A 29 -22.959 -17.797 7.277 1.00 20.00 C ATOM 0 H VAL A 29 -23.405 -17.347 4.430 1.00 20.00 H new ATOM 0 HA VAL A 29 -21.902 -19.590 5.505 1.00 20.00 H new ATOM 0 HB VAL A 29 -24.651 -18.470 6.174 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -24.488 -19.827 8.217 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -24.486 -20.834 6.750 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -22.965 -20.531 7.623 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -23.536 -17.559 8.171 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -21.975 -18.164 7.568 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -22.847 -16.900 6.668 1.00 20.00 H new ATOM 601 N ALA A 30 -24.791 -19.940 3.918 1.00 20.00 N ATOM 602 CA ALA A 30 -25.623 -20.873 3.186 1.00 20.00 C ATOM 603 C ALA A 30 -26.258 -20.192 1.983 1.00 20.00 C ATOM 604 O ALA A 30 -27.305 -19.550 2.099 1.00 20.00 O ATOM 605 CB ALA A 30 -26.695 -21.449 4.098 1.00 20.00 C ATOM 0 H ALA A 30 -25.183 -19.002 3.997 1.00 20.00 H new ATOM 0 HA ALA A 30 -24.996 -21.689 2.826 1.00 20.00 H new ATOM 0 HB1 ALA A 30 -27.314 -22.149 3.536 1.00 20.00 H new ATOM 0 HB2 ALA A 30 -26.223 -21.970 4.931 1.00 20.00 H new ATOM 0 HB3 ALA A 30 -27.318 -20.641 4.482 1.00 20.00 H new ATOM 611 N THR A 31 -25.617 -20.318 0.832 1.00 20.00 N ATOM 612 CA THR A 31 -26.125 -19.706 -0.382 1.00 20.00 C ATOM 613 C THR A 31 -27.197 -20.597 -1.011 1.00 20.00 C ATOM 614 O THR A 31 -28.086 -20.127 -1.727 1.00 20.00 O ATOM 615 CB THR A 31 -24.985 -19.416 -1.394 1.00 20.00 C ATOM 616 OG1 THR A 31 -25.475 -18.661 -2.509 1.00 20.00 O ATOM 617 CG2 THR A 31 -24.349 -20.701 -1.899 1.00 20.00 C ATOM 0 H THR A 31 -24.747 -20.837 0.714 1.00 20.00 H new ATOM 0 HA THR A 31 -26.574 -18.749 -0.116 1.00 20.00 H new ATOM 0 HB THR A 31 -24.228 -18.835 -0.867 1.00 20.00 H new ATOM 0 HG1 THR A 31 -24.741 -18.487 -3.134 1.00 20.00 H new ATOM 0 HG21 THR A 31 -23.555 -20.461 -2.606 1.00 20.00 H new ATOM 0 HG22 THR A 31 -23.931 -21.255 -1.058 1.00 20.00 H new ATOM 0 HG23 THR A 31 -25.104 -21.310 -2.396 1.00 20.00 H new ATOM 625 N SER A 32 -27.107 -21.895 -0.697 1.00 20.00 N ATOM 626 CA SER A 32 -28.071 -22.892 -1.150 1.00 20.00 C ATOM 627 C SER A 32 -28.203 -22.876 -2.669 1.00 20.00 C ATOM 628 O SER A 32 -29.297 -23.015 -3.212 1.00 20.00 O ATOM 629 CB SER A 32 -29.425 -22.637 -0.489 1.00 20.00 C ATOM 630 OG SER A 32 -29.288 -22.547 0.921 1.00 20.00 O ATOM 0 H SER A 32 -26.359 -22.280 -0.120 1.00 20.00 H new ATOM 0 HA SER A 32 -27.713 -23.880 -0.860 1.00 20.00 H new ATOM 0 HB2 SER A 32 -29.856 -21.714 -0.877 1.00 20.00 H new ATOM 0 HB3 SER A 32 -30.115 -23.442 -0.741 1.00 20.00 H new ATOM 0 HG SER A 32 -30.165 -22.382 1.325 1.00 20.00 H new ATOM 636 N LEU A 33 -27.078 -22.708 -3.345 1.00 20.00 N ATOM 637 CA LEU A 33 -27.068 -22.596 -4.795 1.00 20.00 C ATOM 638 C LEU A 33 -26.730 -23.940 -5.428 1.00 20.00 C ATOM 639 O LEU A 33 -27.155 -24.241 -6.545 1.00 20.00 O ATOM 640 CB LEU A 33 -26.055 -21.530 -5.229 1.00 20.00 C ATOM 641 CG LEU A 33 -26.022 -21.220 -6.728 1.00 20.00 C ATOM 642 CD1 LEU A 33 -27.324 -20.576 -7.179 1.00 20.00 C ATOM 643 CD2 LEU A 33 -24.841 -20.321 -7.056 1.00 20.00 C ATOM 0 H LEU A 33 -26.157 -22.646 -2.911 1.00 20.00 H new ATOM 0 HA LEU A 33 -28.060 -22.297 -5.133 1.00 20.00 H new ATOM 0 HB2 LEU A 33 -26.272 -20.608 -4.690 1.00 20.00 H new ATOM 0 HB3 LEU A 33 -25.060 -21.853 -4.921 1.00 20.00 H new ATOM 0 HG LEU A 33 -25.906 -22.160 -7.268 1.00 20.00 H new ATOM 0 HD11 LEU A 33 -27.275 -20.366 -8.247 1.00 20.00 H new ATOM 0 HD12 LEU A 33 -28.154 -21.255 -6.980 1.00 20.00 H new ATOM 0 HD13 LEU A 33 -27.478 -19.645 -6.633 1.00 20.00 H new ATOM 0 HD21 LEU A 33 -24.831 -20.109 -8.125 1.00 20.00 H new ATOM 0 HD22 LEU A 33 -24.930 -19.387 -6.502 1.00 20.00 H new ATOM 0 HD23 LEU A 33 -23.914 -20.822 -6.776 1.00 20.00 H new ATOM 655 N ALA A 34 -25.975 -24.749 -4.700 1.00 20.00 N ATOM 656 CA ALA A 34 -25.572 -26.059 -5.179 1.00 20.00 C ATOM 657 C ALA A 34 -25.578 -27.067 -4.038 1.00 20.00 C ATOM 658 O ALA A 34 -24.566 -27.712 -3.747 1.00 20.00 O ATOM 659 CB ALA A 34 -24.198 -25.987 -5.828 1.00 20.00 C ATOM 0 H ALA A 34 -25.628 -24.517 -3.769 1.00 20.00 H new ATOM 0 HA ALA A 34 -26.288 -26.390 -5.931 1.00 20.00 H new ATOM 0 HB1 ALA A 34 -23.910 -26.977 -6.182 1.00 20.00 H new ATOM 0 HB2 ALA A 34 -24.229 -25.296 -6.670 1.00 20.00 H new ATOM 0 HB3 ALA A 34 -23.469 -25.637 -5.098 1.00 20.00 H new ATOM 665 N ASP A 35 -26.720 -27.180 -3.381 1.00 20.00 N ATOM 666 CA ASP A 35 -26.879 -28.115 -2.282 1.00 20.00 C ATOM 667 C ASP A 35 -27.573 -29.385 -2.759 1.00 20.00 C ATOM 668 O ASP A 35 -28.654 -29.331 -3.347 1.00 20.00 O ATOM 669 CB ASP A 35 -27.668 -27.472 -1.126 1.00 20.00 C ATOM 670 CG ASP A 35 -29.069 -27.023 -1.515 1.00 20.00 C ATOM 671 OD1 ASP A 35 -29.193 -26.009 -2.231 1.00 20.00 O ATOM 672 OD2 ASP A 35 -30.054 -27.667 -1.097 1.00 20.00 O ATOM 0 H ASP A 35 -27.554 -26.632 -3.592 1.00 20.00 H new ATOM 0 HA ASP A 35 -25.888 -28.378 -1.913 1.00 20.00 H new ATOM 0 HB2 ASP A 35 -27.740 -28.186 -0.306 1.00 20.00 H new ATOM 0 HB3 ASP A 35 -27.112 -26.612 -0.752 1.00 20.00 H new ATOM 677 N PRO A 36 -26.943 -30.549 -2.541 1.00 20.00 N ATOM 678 CA PRO A 36 -27.545 -31.843 -2.859 1.00 20.00 C ATOM 679 C PRO A 36 -28.590 -32.230 -1.820 1.00 20.00 C ATOM 680 O PRO A 36 -28.458 -33.231 -1.114 1.00 20.00 O ATOM 681 CB PRO A 36 -26.357 -32.804 -2.828 1.00 20.00 C ATOM 682 CG PRO A 36 -25.398 -32.187 -1.868 1.00 20.00 C ATOM 683 CD PRO A 36 -25.589 -30.694 -1.976 1.00 20.00 C ATOM 0 HA PRO A 36 -28.068 -31.845 -3.815 1.00 20.00 H new ATOM 0 HB2 PRO A 36 -26.660 -33.799 -2.501 1.00 20.00 H new ATOM 0 HB3 PRO A 36 -25.912 -32.915 -3.817 1.00 20.00 H new ATOM 0 HG2 PRO A 36 -25.590 -32.531 -0.852 1.00 20.00 H new ATOM 0 HG3 PRO A 36 -24.372 -32.466 -2.110 1.00 20.00 H new ATOM 0 HD2 PRO A 36 -25.508 -30.210 -1.003 1.00 20.00 H new ATOM 0 HD3 PRO A 36 -24.836 -30.241 -2.621 1.00 20.00 H new ATOM 691 N ARG A 37 -29.617 -31.408 -1.725 1.00 20.00 N ATOM 692 CA ARG A 37 -30.664 -31.576 -0.736 1.00 20.00 C ATOM 693 C ARG A 37 -32.022 -31.716 -1.419 1.00 20.00 C ATOM 694 O ARG A 37 -32.671 -30.717 -1.743 1.00 20.00 O ATOM 695 CB ARG A 37 -30.660 -30.372 0.210 1.00 20.00 C ATOM 696 CG ARG A 37 -31.829 -30.319 1.179 1.00 20.00 C ATOM 697 CD ARG A 37 -31.954 -28.938 1.801 1.00 20.00 C ATOM 698 NE ARG A 37 -32.018 -27.887 0.779 1.00 20.00 N ATOM 699 CZ ARG A 37 -32.821 -26.824 0.834 1.00 20.00 C ATOM 700 NH1 ARG A 37 -33.627 -26.639 1.874 1.00 20.00 N ATOM 701 NH2 ARG A 37 -32.812 -25.942 -0.158 1.00 20.00 N ATOM 0 H ARG A 37 -29.749 -30.601 -2.335 1.00 20.00 H new ATOM 0 HA ARG A 37 -30.479 -32.484 -0.163 1.00 20.00 H new ATOM 0 HB2 ARG A 37 -29.732 -30.380 0.782 1.00 20.00 H new ATOM 0 HB3 ARG A 37 -30.659 -29.459 -0.386 1.00 20.00 H new ATOM 0 HG2 ARG A 37 -32.752 -30.572 0.657 1.00 20.00 H new ATOM 0 HG3 ARG A 37 -31.692 -31.064 1.962 1.00 20.00 H new ATOM 0 HD2 ARG A 37 -32.849 -28.898 2.421 1.00 20.00 H new ATOM 0 HD3 ARG A 37 -31.103 -28.756 2.458 1.00 20.00 H new ATOM 0 HE ARG A 37 -31.405 -27.976 -0.031 1.00 20.00 H new ATOM 0 HH11 ARG A 37 -33.635 -27.313 2.639 1.00 20.00 H new ATOM 0 HH12 ARG A 37 -34.238 -25.823 1.907 1.00 20.00 H new ATOM 0 HH21 ARG A 37 -32.193 -26.079 -0.957 1.00 20.00 H new ATOM 0 HH22 ARG A 37 -33.424 -25.127 -0.121 1.00 20.00 H new ATOM 715 N PRO A 38 -32.465 -32.956 -1.660 1.00 20.00 N ATOM 716 CA PRO A 38 -33.754 -33.223 -2.294 1.00 20.00 C ATOM 717 C PRO A 38 -34.909 -33.138 -1.302 1.00 20.00 C ATOM 718 O PRO A 38 -35.714 -34.063 -1.179 1.00 20.00 O ATOM 719 CB PRO A 38 -33.592 -34.649 -2.814 1.00 20.00 C ATOM 720 CG PRO A 38 -32.636 -35.295 -1.869 1.00 20.00 C ATOM 721 CD PRO A 38 -31.738 -34.200 -1.342 1.00 20.00 C ATOM 0 HA PRO A 38 -33.995 -32.497 -3.070 1.00 20.00 H new ATOM 0 HB2 PRO A 38 -34.547 -35.174 -2.831 1.00 20.00 H new ATOM 0 HB3 PRO A 38 -33.206 -34.657 -3.833 1.00 20.00 H new ATOM 0 HG2 PRO A 38 -33.169 -35.784 -1.054 1.00 20.00 H new ATOM 0 HG3 PRO A 38 -32.052 -36.064 -2.375 1.00 20.00 H new ATOM 0 HD2 PRO A 38 -31.572 -34.302 -0.270 1.00 20.00 H new ATOM 0 HD3 PRO A 38 -30.759 -34.223 -1.820 1.00 20.00 H new ATOM 729 N ALA A 39 -34.979 -32.023 -0.596 1.00 20.00 N ATOM 730 CA ALA A 39 -36.011 -31.810 0.403 1.00 20.00 C ATOM 731 C ALA A 39 -36.490 -30.366 0.380 1.00 20.00 C ATOM 732 O ALA A 39 -36.695 -29.746 1.423 1.00 20.00 O ATOM 733 CB ALA A 39 -35.497 -32.178 1.784 1.00 20.00 C ATOM 0 H ALA A 39 -34.327 -31.245 -0.698 1.00 20.00 H new ATOM 0 HA ALA A 39 -36.857 -32.455 0.166 1.00 20.00 H new ATOM 0 HB1 ALA A 39 -36.283 -32.012 2.521 1.00 20.00 H new ATOM 0 HB2 ALA A 39 -35.204 -33.228 1.795 1.00 20.00 H new ATOM 0 HB3 ALA A 39 -34.634 -31.558 2.028 1.00 20.00 H new ATOM 739 N ILE A 40 -36.663 -29.840 -0.821 1.00 20.00 N ATOM 740 CA ILE A 40 -37.147 -28.479 -0.995 1.00 20.00 C ATOM 741 C ILE A 40 -38.638 -28.419 -0.676 1.00 20.00 C ATOM 742 O ILE A 40 -39.446 -29.075 -1.337 1.00 20.00 O ATOM 743 CB ILE A 40 -36.899 -27.963 -2.430 1.00 20.00 C ATOM 744 CG1 ILE A 40 -35.401 -28.001 -2.756 1.00 20.00 C ATOM 745 CG2 ILE A 40 -37.448 -26.551 -2.592 1.00 20.00 C ATOM 746 CD1 ILE A 40 -35.072 -27.536 -4.157 1.00 20.00 C ATOM 0 H ILE A 40 -36.475 -30.336 -1.693 1.00 20.00 H new ATOM 0 HA ILE A 40 -36.594 -27.837 -0.309 1.00 20.00 H new ATOM 0 HB ILE A 40 -37.422 -28.615 -3.130 1.00 20.00 H new ATOM 0 HG12 ILE A 40 -34.866 -27.376 -2.040 1.00 20.00 H new ATOM 0 HG13 ILE A 40 -35.035 -29.020 -2.625 1.00 20.00 H new ATOM 0 HG21 ILE A 40 -37.264 -26.204 -3.609 1.00 20.00 H new ATOM 0 HG22 ILE A 40 -38.520 -26.553 -2.397 1.00 20.00 H new ATOM 0 HG23 ILE A 40 -36.952 -25.885 -1.886 1.00 20.00 H new ATOM 0 HD11 ILE A 40 -33.995 -27.591 -4.315 1.00 20.00 H new ATOM 0 HD12 ILE A 40 -35.578 -28.175 -4.881 1.00 20.00 H new ATOM 0 HD13 ILE A 40 -35.406 -26.507 -4.287 1.00 20.00 H new ATOM 758 N PRO A 41 -39.015 -27.650 0.357 1.00 20.00 N ATOM 759 CA PRO A 41 -40.395 -27.596 0.837 1.00 20.00 C ATOM 760 C PRO A 41 -41.373 -27.123 -0.236 1.00 20.00 C ATOM 761 O PRO A 41 -41.260 -26.009 -0.752 1.00 20.00 O ATOM 762 CB PRO A 41 -40.351 -26.592 1.999 1.00 20.00 C ATOM 763 CG PRO A 41 -39.073 -25.843 1.837 1.00 20.00 C ATOM 764 CD PRO A 41 -38.124 -26.771 1.133 1.00 20.00 C ATOM 0 HA PRO A 41 -40.749 -28.584 1.130 1.00 20.00 H new ATOM 0 HB2 PRO A 41 -41.207 -25.918 1.966 1.00 20.00 H new ATOM 0 HB3 PRO A 41 -40.385 -27.104 2.961 1.00 20.00 H new ATOM 0 HG2 PRO A 41 -39.227 -24.933 1.258 1.00 20.00 H new ATOM 0 HG3 PRO A 41 -38.674 -25.541 2.805 1.00 20.00 H new ATOM 0 HD2 PRO A 41 -37.435 -26.226 0.487 1.00 20.00 H new ATOM 0 HD3 PRO A 41 -37.518 -27.337 1.840 1.00 20.00 H new ATOM 772 N HIS A 42 -42.339 -27.974 -0.563 1.00 20.00 N ATOM 773 CA HIS A 42 -43.370 -27.627 -1.534 1.00 20.00 C ATOM 774 C HIS A 42 -44.300 -26.575 -0.948 1.00 20.00 C ATOM 775 O HIS A 42 -44.992 -25.864 -1.677 1.00 20.00 O ATOM 776 CB HIS A 42 -44.169 -28.867 -1.954 1.00 20.00 C ATOM 777 CG HIS A 42 -43.427 -29.783 -2.883 1.00 20.00 C ATOM 778 ND1 HIS A 42 -44.060 -30.616 -3.779 1.00 20.00 N ATOM 779 CD2 HIS A 42 -42.099 -29.996 -3.054 1.00 20.00 C ATOM 780 CE1 HIS A 42 -43.159 -31.297 -4.460 1.00 20.00 C ATOM 781 NE2 HIS A 42 -41.963 -30.938 -4.040 1.00 20.00 N ATOM 0 H HIS A 42 -42.430 -28.911 -0.169 1.00 20.00 H new ATOM 0 HA HIS A 42 -42.884 -27.222 -2.422 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -44.453 -29.424 -1.061 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -45.092 -28.546 -2.437 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -41.298 -29.513 -2.514 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -43.366 -32.025 -5.231 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -41.078 -31.303 -4.392 1.00 20.00 H new ATOM 790 N ASP A 43 -44.291 -26.470 0.378 1.00 20.00 N ATOM 791 CA ASP A 43 -45.071 -25.452 1.075 1.00 20.00 C ATOM 792 C ASP A 43 -44.568 -24.059 0.725 1.00 20.00 C ATOM 793 O ASP A 43 -45.317 -23.088 0.790 1.00 20.00 O ATOM 794 CB ASP A 43 -45.017 -25.651 2.594 1.00 20.00 C ATOM 795 CG ASP A 43 -45.927 -26.761 3.079 1.00 20.00 C ATOM 796 OD1 ASP A 43 -47.130 -26.500 3.282 1.00 20.00 O ATOM 797 OD2 ASP A 43 -45.442 -27.897 3.274 1.00 20.00 O ATOM 0 H ASP A 43 -43.751 -27.079 0.992 1.00 20.00 H new ATOM 0 HA ASP A 43 -46.106 -25.553 0.749 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -43.992 -25.874 2.889 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -45.295 -24.719 3.087 1.00 20.00 H new ATOM 802 N GLU A 44 -43.301 -23.975 0.333 1.00 20.00 N ATOM 803 CA GLU A 44 -42.690 -22.702 -0.029 1.00 20.00 C ATOM 804 C GLU A 44 -43.374 -22.125 -1.266 1.00 20.00 C ATOM 805 O GLU A 44 -43.562 -20.912 -1.384 1.00 20.00 O ATOM 806 CB GLU A 44 -41.194 -22.894 -0.294 1.00 20.00 C ATOM 807 CG GLU A 44 -40.421 -21.594 -0.444 1.00 20.00 C ATOM 808 CD GLU A 44 -40.338 -20.815 0.853 1.00 20.00 C ATOM 809 OE1 GLU A 44 -41.243 -19.994 1.124 1.00 20.00 O ATOM 810 OE2 GLU A 44 -39.367 -21.018 1.614 1.00 20.00 O ATOM 0 H GLU A 44 -42.676 -24.777 0.258 1.00 20.00 H new ATOM 0 HA GLU A 44 -42.814 -22.003 0.798 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -40.761 -23.470 0.524 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -41.069 -23.486 -1.201 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -39.413 -21.813 -0.798 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -40.899 -20.977 -1.205 1.00 20.00 H new ATOM 817 N VAL A 45 -43.766 -23.010 -2.173 1.00 20.00 N ATOM 818 CA VAL A 45 -44.451 -22.611 -3.394 1.00 20.00 C ATOM 819 C VAL A 45 -45.854 -22.103 -3.075 1.00 20.00 C ATOM 820 O VAL A 45 -46.288 -21.071 -3.591 1.00 20.00 O ATOM 821 CB VAL A 45 -44.532 -23.779 -4.399 1.00 20.00 C ATOM 822 CG1 VAL A 45 -45.230 -23.348 -5.681 1.00 20.00 C ATOM 823 CG2 VAL A 45 -43.142 -24.315 -4.699 1.00 20.00 C ATOM 0 H VAL A 45 -43.620 -24.016 -2.084 1.00 20.00 H new ATOM 0 HA VAL A 45 -43.874 -21.807 -3.851 1.00 20.00 H new ATOM 0 HB VAL A 45 -45.122 -24.577 -3.948 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -45.274 -24.190 -6.372 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -46.242 -23.015 -5.450 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -44.675 -22.530 -6.140 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -43.215 -25.139 -5.409 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -42.530 -23.521 -5.126 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -42.682 -24.671 -3.777 1.00 20.00 H new ATOM 833 N GLU A 46 -46.550 -22.823 -2.200 1.00 20.00 N ATOM 834 CA GLU A 46 -47.884 -22.416 -1.763 1.00 20.00 C ATOM 835 C GLU A 46 -47.803 -21.095 -1.005 1.00 20.00 C ATOM 836 O GLU A 46 -48.689 -20.245 -1.114 1.00 20.00 O ATOM 837 CB GLU A 46 -48.524 -23.499 -0.885 1.00 20.00 C ATOM 838 CG GLU A 46 -49.937 -23.160 -0.427 1.00 20.00 C ATOM 839 CD GLU A 46 -50.582 -24.276 0.368 1.00 20.00 C ATOM 840 OE1 GLU A 46 -50.192 -24.486 1.537 1.00 20.00 O ATOM 841 OE2 GLU A 46 -51.498 -24.939 -0.165 1.00 20.00 O ATOM 0 H GLU A 46 -46.214 -23.690 -1.780 1.00 20.00 H new ATOM 0 HA GLU A 46 -48.511 -22.281 -2.644 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -48.546 -24.437 -1.439 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -47.897 -23.661 -0.009 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -49.909 -22.256 0.182 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -50.553 -22.939 -1.299 1.00 20.00 H new ATOM 848 N ARG A 47 -46.722 -20.927 -0.254 1.00 20.00 N ATOM 849 CA ARG A 47 -46.467 -19.692 0.475 1.00 20.00 C ATOM 850 C ARG A 47 -46.268 -18.530 -0.494 1.00 20.00 C ATOM 851 O ARG A 47 -46.716 -17.414 -0.236 1.00 20.00 O ATOM 852 CB ARG A 47 -45.234 -19.855 1.369 1.00 20.00 C ATOM 853 CG ARG A 47 -44.844 -18.592 2.119 1.00 20.00 C ATOM 854 CD ARG A 47 -43.601 -18.809 2.965 1.00 20.00 C ATOM 855 NE ARG A 47 -43.829 -19.772 4.042 1.00 20.00 N ATOM 856 CZ ARG A 47 -43.038 -20.816 4.294 1.00 20.00 C ATOM 857 NH1 ARG A 47 -42.007 -21.090 3.504 1.00 20.00 N ATOM 858 NH2 ARG A 47 -43.292 -21.598 5.333 1.00 20.00 N ATOM 0 H ARG A 47 -46.001 -21.639 -0.134 1.00 20.00 H new ATOM 0 HA ARG A 47 -47.331 -19.473 1.102 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -45.423 -20.650 2.090 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -44.392 -20.175 0.755 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -44.665 -17.786 1.408 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -45.669 -18.277 2.757 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -42.788 -19.162 2.330 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -43.283 -17.858 3.391 1.00 20.00 H new ATOM 0 HE ARG A 47 -44.645 -19.637 4.639 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -41.813 -20.500 2.695 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -41.408 -21.891 3.706 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -44.090 -21.401 5.937 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -42.689 -22.397 5.529 1.00 20.00 H new ATOM 872 N ARG A 48 -45.612 -18.799 -1.617 1.00 20.00 N ATOM 873 CA ARG A 48 -45.402 -17.773 -2.629 1.00 20.00 C ATOM 874 C ARG A 48 -46.713 -17.442 -3.334 1.00 20.00 C ATOM 875 O ARG A 48 -46.939 -16.309 -3.734 1.00 20.00 O ATOM 876 CB ARG A 48 -44.348 -18.204 -3.653 1.00 20.00 C ATOM 877 CG ARG A 48 -44.082 -17.154 -4.726 1.00 20.00 C ATOM 878 CD ARG A 48 -43.502 -15.874 -4.136 1.00 20.00 C ATOM 879 NE ARG A 48 -43.624 -14.740 -5.053 1.00 20.00 N ATOM 880 CZ ARG A 48 -42.614 -13.948 -5.417 1.00 20.00 C ATOM 881 NH1 ARG A 48 -41.381 -14.183 -4.981 1.00 20.00 N ATOM 882 NH2 ARG A 48 -42.837 -12.924 -6.230 1.00 20.00 N ATOM 0 H ARG A 48 -45.219 -19.712 -1.848 1.00 20.00 H new ATOM 0 HA ARG A 48 -45.035 -16.880 -2.123 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -43.416 -18.426 -3.133 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -44.673 -19.128 -4.132 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -43.392 -17.558 -5.466 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -45.011 -16.925 -5.248 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -44.014 -15.641 -3.202 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -42.451 -16.031 -3.893 1.00 20.00 H new ATOM 0 HE ARG A 48 -44.546 -14.541 -5.441 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -41.201 -14.974 -4.363 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -40.615 -13.572 -5.264 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -43.779 -12.743 -6.576 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -42.066 -12.317 -6.509 1.00 20.00 H new ATOM 896 N MET A 49 -47.583 -18.431 -3.476 1.00 20.00 N ATOM 897 CA MET A 49 -48.904 -18.197 -4.052 1.00 20.00 C ATOM 898 C MET A 49 -49.756 -17.392 -3.078 1.00 20.00 C ATOM 899 O MET A 49 -50.671 -16.671 -3.469 1.00 20.00 O ATOM 900 CB MET A 49 -49.596 -19.518 -4.388 1.00 20.00 C ATOM 901 CG MET A 49 -48.947 -20.272 -5.535 1.00 20.00 C ATOM 902 SD MET A 49 -48.874 -19.303 -7.055 1.00 20.00 S ATOM 903 CE MET A 49 -48.063 -20.464 -8.151 1.00 20.00 C ATOM 0 H MET A 49 -47.403 -19.397 -3.203 1.00 20.00 H new ATOM 0 HA MET A 49 -48.782 -17.633 -4.977 1.00 20.00 H new ATOM 0 HB2 MET A 49 -49.597 -20.153 -3.502 1.00 20.00 H new ATOM 0 HB3 MET A 49 -50.638 -19.319 -4.639 1.00 20.00 H new ATOM 0 HG2 MET A 49 -47.937 -20.564 -5.247 1.00 20.00 H new ATOM 0 HG3 MET A 49 -49.504 -21.190 -5.721 1.00 20.00 H new ATOM 0 HE1 MET A 49 -47.944 -20.012 -9.136 1.00 20.00 H new ATOM 0 HE2 MET A 49 -47.083 -20.721 -7.749 1.00 20.00 H new ATOM 0 HE3 MET A 49 -48.668 -21.367 -8.237 1.00 20.00 H new ATOM 913 N ALA A 50 -49.417 -17.512 -1.805 1.00 20.00 N ATOM 914 CA ALA A 50 -50.109 -16.809 -0.738 1.00 20.00 C ATOM 915 C ALA A 50 -49.656 -15.358 -0.638 1.00 20.00 C ATOM 916 O ALA A 50 -50.210 -14.596 0.149 1.00 20.00 O ATOM 917 CB ALA A 50 -49.889 -17.518 0.586 1.00 20.00 C ATOM 0 H ALA A 50 -48.651 -18.102 -1.482 1.00 20.00 H new ATOM 0 HA ALA A 50 -51.173 -16.811 -0.974 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -50.412 -16.982 1.377 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -50.273 -18.536 0.522 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -48.823 -17.546 0.811 1.00 20.00 H new ATOM 923 N GLU A 51 -48.634 -14.993 -1.421 1.00 20.00 N ATOM 924 CA GLU A 51 -48.016 -13.663 -1.351 1.00 20.00 C ATOM 925 C GLU A 51 -49.050 -12.537 -1.341 1.00 20.00 C ATOM 926 O GLU A 51 -48.834 -11.503 -0.714 1.00 20.00 O ATOM 927 CB GLU A 51 -47.028 -13.453 -2.506 1.00 20.00 C ATOM 928 CG GLU A 51 -47.670 -13.388 -3.885 1.00 20.00 C ATOM 929 CD GLU A 51 -46.662 -13.101 -4.979 1.00 20.00 C ATOM 930 OE1 GLU A 51 -46.293 -11.920 -5.155 1.00 20.00 O ATOM 931 OE2 GLU A 51 -46.226 -14.052 -5.666 1.00 20.00 O ATOM 0 H GLU A 51 -48.213 -15.608 -2.118 1.00 20.00 H new ATOM 0 HA GLU A 51 -47.476 -13.624 -0.405 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -46.477 -12.529 -2.332 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -46.300 -14.264 -2.496 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -48.170 -14.333 -4.095 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -48.437 -12.614 -3.889 1.00 20.00 H new ATOM 938 N ARG A 52 -50.168 -12.747 -2.028 1.00 20.00 N ATOM 939 CA ARG A 52 -51.253 -11.775 -2.051 1.00 20.00 C ATOM 940 C ARG A 52 -51.773 -11.501 -0.643 1.00 20.00 C ATOM 941 O ARG A 52 -51.844 -10.353 -0.208 1.00 20.00 O ATOM 942 CB ARG A 52 -52.391 -12.291 -2.928 1.00 20.00 C ATOM 943 CG ARG A 52 -53.580 -11.352 -3.019 1.00 20.00 C ATOM 944 CD ARG A 52 -54.686 -11.962 -3.860 1.00 20.00 C ATOM 945 NE ARG A 52 -54.206 -12.355 -5.182 1.00 20.00 N ATOM 946 CZ ARG A 52 -54.811 -13.253 -5.954 1.00 20.00 C ATOM 947 NH1 ARG A 52 -55.947 -13.822 -5.559 1.00 20.00 N ATOM 948 NH2 ARG A 52 -54.286 -13.573 -7.130 1.00 20.00 N ATOM 0 H ARG A 52 -50.346 -13.587 -2.579 1.00 20.00 H new ATOM 0 HA ARG A 52 -50.867 -10.842 -2.462 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -52.008 -12.472 -3.932 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -52.729 -13.251 -2.538 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -53.955 -11.135 -2.019 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -53.267 -10.403 -3.455 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -55.094 -12.833 -3.348 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -55.500 -11.245 -3.967 1.00 20.00 H new ATOM 0 HE ARG A 52 -53.356 -11.915 -5.534 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -56.358 -13.570 -4.660 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -56.407 -14.510 -6.155 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -53.421 -13.131 -7.440 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -54.748 -14.261 -7.724 1.00 20.00 H new ATOM 962 N PHE A 53 -52.119 -12.565 0.068 1.00 20.00 N ATOM 963 CA PHE A 53 -52.641 -12.452 1.421 1.00 20.00 C ATOM 964 C PHE A 53 -51.510 -12.180 2.400 1.00 20.00 C ATOM 965 O PHE A 53 -51.711 -11.599 3.467 1.00 20.00 O ATOM 966 CB PHE A 53 -53.373 -13.737 1.812 1.00 20.00 C ATOM 967 CG PHE A 53 -54.591 -14.018 0.976 1.00 20.00 C ATOM 968 CD1 PHE A 53 -54.493 -14.731 -0.211 1.00 20.00 C ATOM 969 CD2 PHE A 53 -55.835 -13.562 1.377 1.00 20.00 C ATOM 970 CE1 PHE A 53 -55.613 -14.984 -0.977 1.00 20.00 C ATOM 971 CE2 PHE A 53 -56.959 -13.813 0.613 1.00 20.00 C ATOM 972 CZ PHE A 53 -56.847 -14.522 -0.564 1.00 20.00 C ATOM 0 H PHE A 53 -52.046 -13.523 -0.274 1.00 20.00 H new ATOM 0 HA PHE A 53 -53.344 -11.620 1.456 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -52.684 -14.577 1.728 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -53.669 -13.672 2.859 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -53.529 -15.092 -0.539 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -55.928 -13.004 2.297 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -55.524 -15.542 -1.897 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -57.924 -13.454 0.938 1.00 20.00 H new ATOM 0 HZ PHE A 53 -57.724 -14.716 -1.163 1.00 20.00 H new ATOM 982 N ALA A 54 -50.311 -12.595 2.015 1.00 20.00 N ATOM 983 CA ALA A 54 -49.128 -12.411 2.837 1.00 20.00 C ATOM 984 C ALA A 54 -48.737 -10.942 2.931 1.00 20.00 C ATOM 985 O ALA A 54 -47.948 -10.561 3.788 1.00 20.00 O ATOM 986 CB ALA A 54 -47.975 -13.232 2.292 1.00 20.00 C ATOM 0 H ALA A 54 -50.134 -13.066 1.128 1.00 20.00 H new ATOM 0 HA ALA A 54 -49.364 -12.757 3.844 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -47.095 -13.084 2.918 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -48.248 -14.287 2.293 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -47.753 -12.915 1.273 1.00 20.00 H new ATOM 992 N LYS A 55 -49.288 -10.114 2.049 1.00 20.00 N ATOM 993 CA LYS A 55 -49.054 -8.676 2.121 1.00 20.00 C ATOM 994 C LYS A 55 -49.624 -8.124 3.421 1.00 20.00 C ATOM 995 O LYS A 55 -49.126 -7.140 3.965 1.00 20.00 O ATOM 996 CB LYS A 55 -49.687 -7.947 0.930 1.00 20.00 C ATOM 997 CG LYS A 55 -49.096 -8.331 -0.422 1.00 20.00 C ATOM 998 CD LYS A 55 -49.651 -7.469 -1.547 1.00 20.00 C ATOM 999 CE LYS A 55 -51.161 -7.610 -1.675 1.00 20.00 C ATOM 1000 NZ LYS A 55 -51.705 -6.813 -2.808 1.00 20.00 N ATOM 0 H LYS A 55 -49.894 -10.410 1.283 1.00 20.00 H new ATOM 0 HA LYS A 55 -47.977 -8.508 2.090 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -50.757 -8.154 0.918 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -49.572 -6.873 1.073 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -48.011 -8.229 -0.387 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -49.311 -9.380 -0.628 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -49.398 -6.425 -1.364 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -49.179 -7.751 -2.488 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -51.416 -8.660 -1.816 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -51.634 -7.289 -0.747 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -52.736 -6.939 -2.857 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -51.486 -5.807 -2.662 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -51.274 -7.135 -3.698 1.00 20.00 H new ATOM 1014 N MET A 56 -50.650 -8.794 3.926 1.00 20.00 N ATOM 1015 CA MET A 56 -51.346 -8.358 5.127 1.00 20.00 C ATOM 1016 C MET A 56 -50.739 -8.972 6.388 1.00 20.00 C ATOM 1017 O MET A 56 -51.320 -8.875 7.466 1.00 20.00 O ATOM 1018 CB MET A 56 -52.829 -8.727 5.040 1.00 20.00 C ATOM 1019 CG MET A 56 -53.559 -8.078 3.876 1.00 20.00 C ATOM 1020 SD MET A 56 -53.578 -6.279 3.980 1.00 20.00 S ATOM 1021 CE MET A 56 -54.435 -5.868 2.461 1.00 20.00 C ATOM 0 H MET A 56 -51.022 -9.651 3.517 1.00 20.00 H new ATOM 0 HA MET A 56 -51.239 -7.275 5.193 1.00 20.00 H new ATOM 0 HB2 MET A 56 -52.919 -9.810 4.954 1.00 20.00 H new ATOM 0 HB3 MET A 56 -53.320 -8.439 5.970 1.00 20.00 H new ATOM 0 HG2 MET A 56 -53.084 -8.378 2.942 1.00 20.00 H new ATOM 0 HG3 MET A 56 -54.584 -8.447 3.845 1.00 20.00 H new ATOM 0 HE1 MET A 56 -54.527 -4.785 2.377 1.00 20.00 H new ATOM 0 HE2 MET A 56 -53.872 -6.251 1.610 1.00 20.00 H new ATOM 0 HE3 MET A 56 -55.428 -6.317 2.471 1.00 20.00 H new ATOM 1031 N ARG A 57 -49.578 -9.611 6.261 1.00 20.00 N ATOM 1032 CA ARG A 57 -48.946 -10.265 7.409 1.00 20.00 C ATOM 1033 C ARG A 57 -48.589 -9.259 8.498 1.00 20.00 C ATOM 1034 O ARG A 57 -48.636 -9.580 9.685 1.00 20.00 O ATOM 1035 CB ARG A 57 -47.686 -11.041 7.002 1.00 20.00 C ATOM 1036 CG ARG A 57 -46.609 -10.181 6.361 1.00 20.00 C ATOM 1037 CD ARG A 57 -45.274 -10.908 6.271 1.00 20.00 C ATOM 1038 NE ARG A 57 -45.408 -12.278 5.770 1.00 20.00 N ATOM 1039 CZ ARG A 57 -45.102 -12.663 4.529 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -44.743 -11.767 3.615 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -45.170 -13.947 4.201 1.00 20.00 N ATOM 0 H ARG A 57 -49.059 -9.691 5.386 1.00 20.00 H new ATOM 0 HA ARG A 57 -49.678 -10.970 7.802 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -47.270 -11.527 7.885 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -47.968 -11.831 6.306 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -46.929 -9.886 5.362 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -46.485 -9.266 6.939 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -44.605 -10.350 5.616 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -44.810 -10.930 7.257 1.00 20.00 H new ATOM 0 HE ARG A 57 -45.759 -12.987 6.414 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -44.700 -10.778 3.860 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -44.511 -12.069 2.669 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -45.455 -14.637 4.896 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -44.937 -14.244 3.254 1.00 20.00 H new ATOM 1055 N LYS A 58 -48.242 -8.043 8.100 1.00 20.00 N ATOM 1056 CA LYS A 58 -47.829 -7.035 9.060 1.00 20.00 C ATOM 1057 C LYS A 58 -48.921 -5.989 9.275 1.00 20.00 C ATOM 1058 O LYS A 58 -48.769 -4.820 8.922 1.00 20.00 O ATOM 1059 CB LYS A 58 -46.499 -6.387 8.637 1.00 20.00 C ATOM 1060 CG LYS A 58 -46.505 -5.731 7.260 1.00 20.00 C ATOM 1061 CD LYS A 58 -45.138 -5.142 6.932 1.00 20.00 C ATOM 1062 CE LYS A 58 -45.163 -4.287 5.670 1.00 20.00 C ATOM 1063 NZ LYS A 58 -45.532 -5.067 4.463 1.00 20.00 N ATOM 0 H LYS A 58 -48.239 -7.735 7.128 1.00 20.00 H new ATOM 0 HA LYS A 58 -47.666 -7.531 10.017 1.00 20.00 H new ATOM 0 HB2 LYS A 58 -46.227 -5.636 9.378 1.00 20.00 H new ATOM 0 HB3 LYS A 58 -45.720 -7.149 8.655 1.00 20.00 H new ATOM 0 HG2 LYS A 58 -46.780 -6.466 6.504 1.00 20.00 H new ATOM 0 HG3 LYS A 58 -47.260 -4.946 7.230 1.00 20.00 H new ATOM 0 HD2 LYS A 58 -44.795 -4.537 7.771 1.00 20.00 H new ATOM 0 HD3 LYS A 58 -44.418 -5.950 6.806 1.00 20.00 H new ATOM 0 HE2 LYS A 58 -45.873 -3.470 5.802 1.00 20.00 H new ATOM 0 HE3 LYS A 58 -44.182 -3.836 5.521 1.00 20.00 H new ATOM 0 HZ1 LYS A 58 -45.535 -4.441 3.633 1.00 20.00 H new ATOM 0 HZ2 LYS A 58 -44.841 -5.831 4.319 1.00 20.00 H new ATOM 0 HZ3 LYS A 58 -46.479 -5.477 4.591 1.00 20.00 H new ATOM 1077 N GLU A 59 -50.029 -6.423 9.857 1.00 20.00 N ATOM 1078 CA GLU A 59 -51.101 -5.509 10.226 1.00 20.00 C ATOM 1079 C GLU A 59 -50.751 -4.824 11.539 1.00 20.00 C ATOM 1080 O GLU A 59 -50.773 -3.600 11.644 1.00 20.00 O ATOM 1081 CB GLU A 59 -52.437 -6.245 10.354 1.00 20.00 C ATOM 1082 CG GLU A 59 -52.994 -6.740 9.030 1.00 20.00 C ATOM 1083 CD GLU A 59 -54.306 -7.477 9.189 1.00 20.00 C ATOM 1084 OE1 GLU A 59 -55.358 -6.812 9.292 1.00 20.00 O ATOM 1085 OE2 GLU A 59 -54.293 -8.725 9.215 1.00 20.00 O ATOM 0 H GLU A 59 -50.210 -7.401 10.084 1.00 20.00 H new ATOM 0 HA GLU A 59 -51.207 -4.762 9.439 1.00 20.00 H new ATOM 0 HB2 GLU A 59 -52.310 -7.095 11.025 1.00 20.00 H new ATOM 0 HB3 GLU A 59 -53.165 -5.579 10.818 1.00 20.00 H new ATOM 0 HG2 GLU A 59 -53.137 -5.892 8.360 1.00 20.00 H new ATOM 0 HG3 GLU A 59 -52.266 -7.400 8.558 1.00 20.00 H new ATOM 1092 N ARG A 60 -50.422 -5.632 12.534 1.00 20.00 N ATOM 1093 CA ARG A 60 -49.954 -5.128 13.815 1.00 20.00 C ATOM 1094 C ARG A 60 -48.572 -5.696 14.101 1.00 20.00 C ATOM 1095 O ARG A 60 -47.622 -4.963 14.362 1.00 20.00 O ATOM 1096 CB ARG A 60 -50.920 -5.510 14.941 1.00 20.00 C ATOM 1097 CG ARG A 60 -50.505 -4.968 16.302 1.00 20.00 C ATOM 1098 CD ARG A 60 -51.430 -5.453 17.410 1.00 20.00 C ATOM 1099 NE ARG A 60 -51.360 -6.904 17.589 1.00 20.00 N ATOM 1100 CZ ARG A 60 -51.965 -7.560 18.579 1.00 20.00 C ATOM 1101 NH1 ARG A 60 -52.673 -6.899 19.484 1.00 20.00 N ATOM 1102 NH2 ARG A 60 -51.861 -8.880 18.662 1.00 20.00 N ATOM 0 H ARG A 60 -50.471 -6.649 12.477 1.00 20.00 H new ATOM 0 HA ARG A 60 -49.905 -4.040 13.768 1.00 20.00 H new ATOM 0 HB2 ARG A 60 -51.915 -5.138 14.698 1.00 20.00 H new ATOM 0 HB3 ARG A 60 -50.990 -6.596 14.997 1.00 20.00 H new ATOM 0 HG2 ARG A 60 -49.483 -5.278 16.520 1.00 20.00 H new ATOM 0 HG3 ARG A 60 -50.509 -3.878 16.276 1.00 20.00 H new ATOM 0 HD2 ARG A 60 -51.165 -4.959 18.345 1.00 20.00 H new ATOM 0 HD3 ARG A 60 -52.455 -5.166 17.177 1.00 20.00 H new ATOM 0 HE ARG A 60 -50.816 -7.445 16.917 1.00 20.00 H new ATOM 0 HH11 ARG A 60 -52.757 -5.884 19.424 1.00 20.00 H new ATOM 0 HH12 ARG A 60 -53.134 -7.405 20.240 1.00 20.00 H new ATOM 0 HH21 ARG A 60 -51.318 -9.393 17.968 1.00 20.00 H new ATOM 0 HH22 ARG A 60 -52.324 -9.381 19.420 1.00 20.00 H new ATOM 1116 N SER A 61 -48.472 -7.011 14.029 1.00 20.00 N ATOM 1117 CA SER A 61 -47.211 -7.703 14.223 1.00 20.00 C ATOM 1118 C SER A 61 -46.464 -7.797 12.895 1.00 20.00 C ATOM 1119 O SER A 61 -47.083 -7.882 11.837 1.00 20.00 O ATOM 1120 CB SER A 61 -47.476 -9.104 14.787 1.00 20.00 C ATOM 1121 OG SER A 61 -46.302 -9.902 14.798 1.00 20.00 O ATOM 0 H SER A 61 -49.261 -7.628 13.835 1.00 20.00 H new ATOM 0 HA SER A 61 -46.596 -7.148 14.931 1.00 20.00 H new ATOM 0 HB2 SER A 61 -47.866 -9.019 15.801 1.00 20.00 H new ATOM 0 HB3 SER A 61 -48.244 -9.596 14.190 1.00 20.00 H new ATOM 0 HG SER A 61 -46.466 -10.732 14.304 1.00 20.00 H new ATOM 1127 N LYS A 62 -45.135 -7.760 12.947 1.00 20.00 N ATOM 1128 CA LYS A 62 -44.326 -7.930 11.747 1.00 20.00 C ATOM 1129 C LYS A 62 -44.082 -9.414 11.489 1.00 20.00 C ATOM 1130 O LYS A 62 -43.417 -9.800 10.525 1.00 20.00 O ATOM 1131 CB LYS A 62 -43.001 -7.163 11.867 1.00 20.00 C ATOM 1132 CG LYS A 62 -42.125 -7.588 13.037 1.00 20.00 C ATOM 1133 CD LYS A 62 -40.920 -6.667 13.173 1.00 20.00 C ATOM 1134 CE LYS A 62 -39.994 -7.094 14.304 1.00 20.00 C ATOM 1135 NZ LYS A 62 -39.380 -8.423 14.049 1.00 20.00 N ATOM 0 H LYS A 62 -44.599 -7.615 13.803 1.00 20.00 H new ATOM 0 HA LYS A 62 -44.869 -7.516 10.897 1.00 20.00 H new ATOM 0 HB2 LYS A 62 -42.437 -7.292 10.943 1.00 20.00 H new ATOM 0 HB3 LYS A 62 -43.220 -6.099 11.962 1.00 20.00 H new ATOM 0 HG2 LYS A 62 -42.707 -7.571 13.958 1.00 20.00 H new ATOM 0 HG3 LYS A 62 -41.789 -8.615 12.891 1.00 20.00 H new ATOM 0 HD2 LYS A 62 -40.365 -6.657 12.235 1.00 20.00 H new ATOM 0 HD3 LYS A 62 -41.262 -5.648 13.351 1.00 20.00 H new ATOM 0 HE2 LYS A 62 -39.208 -6.350 14.430 1.00 20.00 H new ATOM 0 HE3 LYS A 62 -40.554 -7.127 15.238 1.00 20.00 H new ATOM 0 HZ1 LYS A 62 -38.634 -8.601 14.751 1.00 20.00 H new ATOM 0 HZ2 LYS A 62 -40.108 -9.162 14.123 1.00 20.00 H new ATOM 0 HZ3 LYS A 62 -38.968 -8.437 13.094 1.00 20.00 H new ATOM 1149 N GLN A 63 -44.626 -10.235 12.373 1.00 20.00 N ATOM 1150 CA GLN A 63 -44.605 -11.677 12.212 1.00 20.00 C ATOM 1151 C GLN A 63 -46.032 -12.192 12.155 1.00 20.00 C ATOM 1152 O GLN A 63 -46.428 -12.737 11.107 1.00 20.00 O ATOM 1153 CB GLN A 63 -43.848 -12.358 13.356 1.00 20.00 C ATOM 1154 CG GLN A 63 -42.374 -12.000 13.416 1.00 20.00 C ATOM 1155 CD GLN A 63 -41.613 -12.846 14.416 1.00 20.00 C ATOM 1156 OE1 GLN A 63 -41.501 -12.495 15.592 1.00 20.00 O ATOM 1157 NE2 GLN A 63 -41.080 -13.966 13.957 1.00 20.00 N ATOM 1158 OXT GLN A 63 -46.768 -12.005 13.147 1.00 20.00 O ATOM 0 H GLN A 63 -45.094 -9.919 13.222 1.00 20.00 H new ATOM 0 HA GLN A 63 -44.085 -11.914 11.284 1.00 20.00 H new ATOM 0 HB2 GLN A 63 -44.317 -12.086 14.302 1.00 20.00 H new ATOM 0 HB3 GLN A 63 -43.946 -13.439 13.251 1.00 20.00 H new ATOM 0 HG2 GLN A 63 -41.932 -12.126 12.428 1.00 20.00 H new ATOM 0 HG3 GLN A 63 -42.269 -10.948 13.681 1.00 20.00 H new ATOM 0 HE21 GLN A 63 -41.195 -14.221 12.976 1.00 20.00 H new ATOM 0 HE22 GLN A 63 -40.554 -14.575 14.584 1.00 20.00 H new TER 1167 GLN A 63