USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 608 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 2 LYS NZ :NH3+ 132:sc= 1.29 (180deg=0.189) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot -68:sc= 0.249 USER MOD Single : A 10 SER OG : rot 140:sc= -0.264 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.0731 K(o=-0.073,f=-1.1!) USER MOD Single : A 30 MET CE :methyl -158:sc= -0.103 (180deg=-0.642) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -1.4 X(o=-1.4,f=-1.5) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0.0755 K(o=0.076,f=-4.7!) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-2.7!) USER MOD Single : A 47 LYS NZ :NH3+ 162:sc= -0.0477 (180deg=-0.346) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 5:sc= 0.305 USER MOD Single : A 62 ASN : amide:sc= -0.177 X(o=-0.18,f=-0.27) USER MOD Single : A 72 THR OG1 : rot -12:sc= 1.22 USER MOD Single : A 73 LYS NZ :NH3+ -156:sc= -3.7 (180deg=-4.7!) USER MOD Single : A 81 LYS NZ :NH3+ 177:sc= 0.785 (180deg=0.728) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 31 N LYS A 2 2.719 -9.254 11.864 1.00 0.00 N ATOM 32 CA LYS A 2 1.920 -8.106 11.452 1.00 0.00 C ATOM 33 C LYS A 2 2.652 -7.259 10.416 1.00 0.00 C ATOM 34 O LYS A 2 3.379 -6.324 10.750 1.00 0.00 O ATOM 35 CB LYS A 2 1.330 -7.319 12.631 1.00 0.00 C ATOM 36 CG LYS A 2 0.172 -6.439 12.125 1.00 0.00 C ATOM 37 CD LYS A 2 -0.599 -5.755 13.257 1.00 0.00 C ATOM 38 CE LYS A 2 0.295 -4.725 13.952 1.00 0.00 C ATOM 39 NZ LYS A 2 -0.485 -3.789 14.780 1.00 0.00 N ATOM 0 HA LYS A 2 1.037 -8.491 10.943 1.00 0.00 H new ATOM 0 HB2 LYS A 2 0.972 -8.005 13.399 1.00 0.00 H new ATOM 0 HB3 LYS A 2 2.099 -6.699 13.091 1.00 0.00 H new ATOM 0 HG2 LYS A 2 0.568 -5.679 11.452 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -0.516 -7.053 11.543 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.489 -5.267 12.859 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.939 -6.499 13.978 1.00 0.00 H new ATOM 0 HE2 LYS A 2 1.025 -5.240 14.576 1.00 0.00 H new ATOM 0 HE3 LYS A 2 0.855 -4.166 13.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -0.045 -3.707 15.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.504 -2.855 14.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -1.457 -4.144 14.883 1.00 0.00 H new ATOM 53 N VAL A 3 2.397 -7.572 9.147 1.00 0.00 N ATOM 54 CA VAL A 3 2.661 -6.644 8.051 1.00 0.00 C ATOM 55 C VAL A 3 1.857 -5.362 8.298 1.00 0.00 C ATOM 56 O VAL A 3 0.699 -5.433 8.714 1.00 0.00 O ATOM 57 CB VAL A 3 2.302 -7.330 6.712 1.00 0.00 C ATOM 58 CG1 VAL A 3 2.191 -6.356 5.529 1.00 0.00 C ATOM 59 CG2 VAL A 3 3.365 -8.384 6.386 1.00 0.00 C ATOM 0 H VAL A 3 2.006 -8.467 8.852 1.00 0.00 H new ATOM 0 HA VAL A 3 3.715 -6.371 7.999 1.00 0.00 H new ATOM 0 HB VAL A 3 1.318 -7.779 6.847 1.00 0.00 H new ATOM 0 HG11 VAL A 3 1.937 -6.909 4.625 1.00 0.00 H new ATOM 0 HG12 VAL A 3 1.413 -5.620 5.735 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.144 -5.846 5.387 1.00 0.00 H new ATOM 0 HG21 VAL A 3 3.117 -8.871 5.443 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.340 -7.904 6.301 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.395 -9.128 7.182 1.00 0.00 H new ATOM 69 N LYS A 4 2.445 -4.196 8.006 1.00 0.00 N ATOM 70 CA LYS A 4 1.742 -2.916 7.996 1.00 0.00 C ATOM 71 C LYS A 4 1.659 -2.425 6.560 1.00 0.00 C ATOM 72 O LYS A 4 2.566 -2.682 5.760 1.00 0.00 O ATOM 73 CB LYS A 4 2.442 -1.875 8.887 1.00 0.00 C ATOM 74 CG LYS A 4 2.264 -2.143 10.392 1.00 0.00 C ATOM 75 CD LYS A 4 3.325 -3.066 11.009 1.00 0.00 C ATOM 76 CE LYS A 4 4.400 -2.290 11.776 1.00 0.00 C ATOM 77 NZ LYS A 4 5.189 -1.386 10.915 1.00 0.00 N ATOM 0 H LYS A 4 3.434 -4.118 7.768 1.00 0.00 H new ATOM 0 HA LYS A 4 0.741 -3.056 8.404 1.00 0.00 H new ATOM 0 HB2 LYS A 4 3.506 -1.862 8.651 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.051 -0.885 8.653 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.279 -1.190 10.921 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.280 -2.583 10.555 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.840 -3.772 11.683 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.797 -3.651 10.220 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.925 -1.707 12.565 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.072 -2.997 12.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.899 -0.890 11.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.668 -1.940 10.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.557 -0.690 10.470 1.00 0.00 H new ATOM 91 N ILE A 5 0.574 -1.729 6.237 1.00 0.00 N ATOM 92 CA ILE A 5 0.252 -1.282 4.898 1.00 0.00 C ATOM 93 C ILE A 5 -0.354 0.110 5.030 1.00 0.00 C ATOM 94 O ILE A 5 -1.311 0.307 5.782 1.00 0.00 O ATOM 95 CB ILE A 5 -0.725 -2.261 4.206 1.00 0.00 C ATOM 96 CG1 ILE A 5 -0.236 -3.725 4.272 1.00 0.00 C ATOM 97 CG2 ILE A 5 -1.001 -1.828 2.753 1.00 0.00 C ATOM 98 CD1 ILE A 5 -1.139 -4.745 3.579 1.00 0.00 C ATOM 0 H ILE A 5 -0.125 -1.454 6.927 1.00 0.00 H new ATOM 0 HA ILE A 5 1.145 -1.251 4.274 1.00 0.00 H new ATOM 0 HB ILE A 5 -1.664 -2.220 4.758 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.757 -3.780 3.825 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.131 -4.009 5.319 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.691 -2.533 2.288 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.442 -0.831 2.748 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.066 -1.813 2.194 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.709 -5.741 3.682 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.127 -4.727 4.038 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.226 -4.495 2.522 1.00 0.00 H new ATOM 110 N GLU A 6 0.150 1.071 4.261 1.00 0.00 N ATOM 111 CA GLU A 6 -0.455 2.403 4.207 1.00 0.00 C ATOM 112 C GLU A 6 -0.676 2.743 2.741 1.00 0.00 C ATOM 113 O GLU A 6 0.228 2.617 1.910 1.00 0.00 O ATOM 114 CB GLU A 6 0.339 3.495 4.951 1.00 0.00 C ATOM 115 CG GLU A 6 0.735 3.146 6.396 1.00 0.00 C ATOM 116 CD GLU A 6 1.457 4.280 7.141 1.00 0.00 C ATOM 117 OE1 GLU A 6 1.885 5.291 6.539 1.00 0.00 O ATOM 118 OE2 GLU A 6 1.592 4.165 8.384 1.00 0.00 O ATOM 0 H GLU A 6 0.972 0.956 3.668 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.403 2.376 4.745 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.245 3.712 4.385 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -0.255 4.409 4.964 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.163 2.875 6.952 1.00 0.00 H new ATOM 0 HG3 GLU A 6 1.379 2.267 6.382 1.00 0.00 H new ATOM 125 N LEU A 7 -1.908 3.134 2.430 1.00 0.00 N ATOM 126 CA LEU A 7 -2.392 3.510 1.114 1.00 0.00 C ATOM 127 C LEU A 7 -2.444 5.037 1.104 1.00 0.00 C ATOM 128 O LEU A 7 -3.528 5.629 1.143 1.00 0.00 O ATOM 129 CB LEU A 7 -3.754 2.802 0.867 1.00 0.00 C ATOM 130 CG LEU A 7 -3.761 1.759 -0.256 1.00 0.00 C ATOM 131 CD1 LEU A 7 -3.620 2.432 -1.618 1.00 0.00 C ATOM 132 CD2 LEU A 7 -2.723 0.653 -0.046 1.00 0.00 C ATOM 0 H LEU A 7 -2.639 3.199 3.139 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.751 3.193 0.291 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.064 2.316 1.792 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.502 3.561 0.639 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.730 1.260 -0.227 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.627 1.674 -2.401 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.451 3.120 -1.772 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.681 2.984 -1.656 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.775 -0.056 -0.872 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.726 1.092 -0.007 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.928 0.134 0.891 1.00 0.00 H new ATOM 144 N PHE A 8 -1.267 5.673 1.115 1.00 0.00 N ATOM 145 CA PHE A 8 -1.114 7.119 1.174 1.00 0.00 C ATOM 146 C PHE A 8 -1.298 7.643 -0.247 1.00 0.00 C ATOM 147 O PHE A 8 -0.362 7.791 -1.031 1.00 0.00 O ATOM 148 CB PHE A 8 0.228 7.482 1.833 1.00 0.00 C ATOM 149 CG PHE A 8 0.332 8.923 2.293 1.00 0.00 C ATOM 150 CD1 PHE A 8 0.732 9.926 1.395 1.00 0.00 C ATOM 151 CD2 PHE A 8 0.059 9.262 3.631 1.00 0.00 C ATOM 152 CE1 PHE A 8 0.831 11.259 1.826 1.00 0.00 C ATOM 153 CE2 PHE A 8 0.144 10.599 4.061 1.00 0.00 C ATOM 154 CZ PHE A 8 0.530 11.602 3.156 1.00 0.00 C ATOM 0 H PHE A 8 -0.376 5.178 1.082 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.863 7.599 1.804 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.386 6.828 2.690 1.00 0.00 H new ATOM 0 HB3 PHE A 8 1.032 7.281 1.125 1.00 0.00 H new ATOM 0 HD1 PHE A 8 0.964 9.672 0.371 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.218 8.490 4.333 1.00 0.00 H new ATOM 0 HE1 PHE A 8 1.140 12.026 1.131 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.087 10.854 5.085 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.595 12.630 3.480 1.00 0.00 H new ATOM 164 N THR A 9 -2.549 7.828 -0.638 1.00 0.00 N ATOM 165 CA THR A 9 -2.942 8.040 -2.025 1.00 0.00 C ATOM 166 C THR A 9 -3.816 9.286 -2.095 1.00 0.00 C ATOM 167 O THR A 9 -4.011 9.928 -1.065 1.00 0.00 O ATOM 168 CB THR A 9 -3.591 6.750 -2.555 1.00 0.00 C ATOM 169 OG1 THR A 9 -4.589 6.267 -1.676 1.00 0.00 O ATOM 170 CG2 THR A 9 -2.545 5.647 -2.734 1.00 0.00 C ATOM 0 H THR A 9 -3.336 7.835 0.011 1.00 0.00 H new ATOM 0 HA THR A 9 -2.094 8.234 -2.681 1.00 0.00 H new ATOM 0 HB THR A 9 -4.043 7.002 -3.514 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.170 5.947 -0.850 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.028 4.745 -3.110 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.787 5.976 -3.445 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.074 5.433 -1.775 1.00 0.00 H new ATOM 178 N SER A 10 -4.287 9.696 -3.278 1.00 0.00 N ATOM 179 CA SER A 10 -5.279 10.763 -3.452 1.00 0.00 C ATOM 180 C SER A 10 -5.538 11.084 -4.932 1.00 0.00 C ATOM 181 O SER A 10 -6.666 10.852 -5.366 1.00 0.00 O ATOM 182 CB SER A 10 -5.026 12.019 -2.589 1.00 0.00 C ATOM 183 OG SER A 10 -3.641 12.259 -2.394 1.00 0.00 O ATOM 0 H SER A 10 -3.982 9.286 -4.161 1.00 0.00 H new ATOM 0 HA SER A 10 -6.209 10.355 -3.056 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.480 12.886 -3.069 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.513 11.898 -1.621 1.00 0.00 H new ATOM 0 HG SER A 10 -3.464 13.221 -2.454 1.00 0.00 H new ATOM 274 N PRO A 17 -10.144 -0.812 -6.521 1.00 0.00 N ATOM 275 CA PRO A 17 -10.551 -0.834 -5.119 1.00 0.00 C ATOM 276 C PRO A 17 -9.285 -0.836 -4.236 1.00 0.00 C ATOM 277 O PRO A 17 -8.931 -1.861 -3.677 1.00 0.00 O ATOM 278 CB PRO A 17 -11.432 -2.095 -4.970 1.00 0.00 C ATOM 279 CG PRO A 17 -11.810 -2.470 -6.402 1.00 0.00 C ATOM 280 CD PRO A 17 -10.595 -2.010 -7.205 1.00 0.00 C ATOM 0 HA PRO A 17 -11.125 0.037 -4.802 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -10.889 -2.902 -4.479 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -12.317 -1.892 -4.366 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -11.982 -3.541 -6.507 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -12.722 -1.967 -6.724 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -9.818 -2.774 -7.223 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -10.860 -1.800 -8.241 1.00 0.00 H new ATOM 288 N ALA A 18 -8.569 0.288 -4.138 1.00 0.00 N ATOM 289 CA ALA A 18 -7.163 0.376 -3.738 1.00 0.00 C ATOM 290 C ALA A 18 -6.821 -0.416 -2.467 1.00 0.00 C ATOM 291 O ALA A 18 -6.315 -1.539 -2.550 1.00 0.00 O ATOM 292 CB ALA A 18 -6.765 1.856 -3.654 1.00 0.00 C ATOM 0 H ALA A 18 -8.972 1.202 -4.345 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.561 -0.113 -4.504 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.719 1.935 -3.357 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.902 2.325 -4.628 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.391 2.360 -2.917 1.00 0.00 H new ATOM 298 N ALA A 19 -7.108 0.139 -1.284 1.00 0.00 N ATOM 299 CA ALA A 19 -6.812 -0.570 -0.044 1.00 0.00 C ATOM 300 C ALA A 19 -7.587 -1.881 0.063 1.00 0.00 C ATOM 301 O ALA A 19 -7.111 -2.786 0.737 1.00 0.00 O ATOM 302 CB ALA A 19 -7.122 0.310 1.164 1.00 0.00 C ATOM 0 H ALA A 19 -7.536 1.057 -1.164 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.748 -0.807 -0.057 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.895 -0.236 2.080 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.515 1.214 1.121 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.178 0.581 1.155 1.00 0.00 H new ATOM 308 N LYS A 20 -8.753 -2.001 -0.589 1.00 0.00 N ATOM 309 CA LYS A 20 -9.522 -3.240 -0.582 1.00 0.00 C ATOM 310 C LYS A 20 -8.716 -4.366 -1.229 1.00 0.00 C ATOM 311 O LYS A 20 -8.614 -5.413 -0.603 1.00 0.00 O ATOM 312 CB LYS A 20 -10.920 -3.071 -1.209 1.00 0.00 C ATOM 313 CG LYS A 20 -11.893 -2.198 -0.389 1.00 0.00 C ATOM 314 CD LYS A 20 -12.227 -2.827 0.971 1.00 0.00 C ATOM 315 CE LYS A 20 -13.257 -2.023 1.776 1.00 0.00 C ATOM 316 NZ LYS A 20 -13.482 -2.623 3.111 1.00 0.00 N ATOM 0 H LYS A 20 -9.180 -1.248 -1.128 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.706 -3.517 0.456 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.808 -2.633 -2.201 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.364 -4.057 -1.344 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -11.453 -1.213 -0.234 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.813 -2.051 -0.955 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.607 -3.836 0.813 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.311 -2.919 1.555 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.911 -0.996 1.890 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -14.199 -1.983 1.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -14.183 -2.058 3.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.835 -3.595 3.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.587 -2.638 3.640 1.00 0.00 H new ATOM 330 N ARG A 21 -8.102 -4.172 -2.403 1.00 0.00 N ATOM 331 CA ARG A 21 -7.237 -5.209 -2.953 1.00 0.00 C ATOM 332 C ARG A 21 -6.036 -5.374 -2.054 1.00 0.00 C ATOM 333 O ARG A 21 -5.707 -6.506 -1.761 1.00 0.00 O ATOM 334 CB ARG A 21 -6.750 -4.972 -4.394 1.00 0.00 C ATOM 335 CG ARG A 21 -6.841 -6.240 -5.266 1.00 0.00 C ATOM 336 CD ARG A 21 -5.958 -7.362 -4.704 1.00 0.00 C ATOM 337 NE ARG A 21 -5.676 -8.466 -5.633 1.00 0.00 N ATOM 338 CZ ARG A 21 -6.522 -9.433 -6.007 1.00 0.00 C ATOM 339 NH1 ARG A 21 -7.817 -9.340 -5.745 1.00 0.00 N ATOM 340 NH2 ARG A 21 -6.070 -10.500 -6.655 1.00 0.00 N ATOM 0 H ARG A 21 -8.187 -3.330 -2.972 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.853 -6.107 -2.997 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.344 -4.179 -4.849 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.717 -4.624 -4.372 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.876 -6.578 -5.315 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.533 -6.007 -6.285 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.011 -6.929 -4.382 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.440 -7.771 -3.816 1.00 0.00 H new ATOM 0 HE ARG A 21 -4.739 -8.498 -6.034 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -8.180 -8.524 -5.253 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -8.451 -10.084 -6.036 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.076 -10.584 -6.869 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.717 -11.236 -6.939 1.00 0.00 H new ATOM 354 N VAL A 22 -5.334 -4.308 -1.655 1.00 0.00 N ATOM 355 CA VAL A 22 -4.058 -4.549 -0.976 1.00 0.00 C ATOM 356 C VAL A 22 -4.292 -5.308 0.361 1.00 0.00 C ATOM 357 O VAL A 22 -3.505 -6.204 0.686 1.00 0.00 O ATOM 358 CB VAL A 22 -3.200 -3.261 -0.926 1.00 0.00 C ATOM 359 CG1 VAL A 22 -1.775 -3.541 -0.429 1.00 0.00 C ATOM 360 CG2 VAL A 22 -3.028 -2.636 -2.331 1.00 0.00 C ATOM 0 H VAL A 22 -5.603 -3.332 -1.779 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.431 -5.231 -1.551 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.732 -2.592 -0.250 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.207 -2.611 -0.409 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.816 -3.962 0.575 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.288 -4.249 -1.100 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.420 -1.734 -2.256 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.536 -3.351 -2.990 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.006 -2.381 -2.738 1.00 0.00 H new ATOM 370 N VAL A 23 -5.407 -5.064 1.076 1.00 0.00 N ATOM 371 CA VAL A 23 -5.769 -5.890 2.229 1.00 0.00 C ATOM 372 C VAL A 23 -6.211 -7.286 1.801 1.00 0.00 C ATOM 373 O VAL A 23 -5.748 -8.227 2.420 1.00 0.00 O ATOM 374 CB VAL A 23 -6.777 -5.218 3.186 1.00 0.00 C ATOM 375 CG1 VAL A 23 -8.229 -5.160 2.717 1.00 0.00 C ATOM 376 CG2 VAL A 23 -6.765 -5.918 4.559 1.00 0.00 C ATOM 0 H VAL A 23 -6.062 -4.309 0.874 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.858 -6.001 2.817 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.426 -4.187 3.230 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -8.837 -4.666 3.475 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.288 -4.601 1.783 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -8.601 -6.172 2.557 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.481 -5.432 5.222 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.038 -6.966 4.436 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.767 -5.852 4.992 1.00 0.00 H new ATOM 386 N GLU A 24 -7.059 -7.457 0.782 1.00 0.00 N ATOM 387 CA GLU A 24 -7.491 -8.768 0.284 1.00 0.00 C ATOM 388 C GLU A 24 -6.260 -9.627 -0.030 1.00 0.00 C ATOM 389 O GLU A 24 -6.167 -10.782 0.388 1.00 0.00 O ATOM 390 CB GLU A 24 -8.346 -8.533 -0.976 1.00 0.00 C ATOM 391 CG GLU A 24 -8.806 -9.783 -1.747 1.00 0.00 C ATOM 392 CD GLU A 24 -9.262 -9.459 -3.183 1.00 0.00 C ATOM 393 OE1 GLU A 24 -9.146 -8.289 -3.630 1.00 0.00 O ATOM 394 OE2 GLU A 24 -9.587 -10.409 -3.931 1.00 0.00 O ATOM 0 H GLU A 24 -7.472 -6.676 0.271 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.083 -9.298 1.030 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.232 -7.969 -0.685 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.777 -7.903 -1.660 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.989 -10.504 -1.783 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.626 -10.257 -1.207 1.00 0.00 H new ATOM 401 N GLU A 25 -5.320 -9.027 -0.755 1.00 0.00 N ATOM 402 CA GLU A 25 -4.093 -9.571 -1.289 1.00 0.00 C ATOM 403 C GLU A 25 -3.198 -10.066 -0.156 1.00 0.00 C ATOM 404 O GLU A 25 -2.790 -11.230 -0.188 1.00 0.00 O ATOM 405 CB GLU A 25 -3.417 -8.477 -2.139 1.00 0.00 C ATOM 406 CG GLU A 25 -2.197 -8.998 -2.907 1.00 0.00 C ATOM 407 CD GLU A 25 -2.665 -9.696 -4.191 1.00 0.00 C ATOM 408 OE1 GLU A 25 -2.979 -9.008 -5.192 1.00 0.00 O ATOM 409 OE2 GLU A 25 -2.774 -10.942 -4.199 1.00 0.00 O ATOM 0 H GLU A 25 -5.418 -8.043 -1.004 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.292 -10.434 -1.924 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -4.141 -8.072 -2.846 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.110 -7.656 -1.491 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.527 -8.173 -3.151 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.632 -9.694 -2.286 1.00 0.00 H new ATOM 416 N VAL A 26 -2.893 -9.213 0.832 1.00 0.00 N ATOM 417 CA VAL A 26 -2.059 -9.640 1.955 1.00 0.00 C ATOM 418 C VAL A 26 -2.849 -10.534 2.906 1.00 0.00 C ATOM 419 O VAL A 26 -2.293 -11.520 3.372 1.00 0.00 O ATOM 420 CB VAL A 26 -1.433 -8.422 2.666 1.00 0.00 C ATOM 421 CG1 VAL A 26 -0.640 -8.813 3.925 1.00 0.00 C ATOM 422 CG2 VAL A 26 -0.463 -7.733 1.698 1.00 0.00 C ATOM 0 H VAL A 26 -3.206 -8.243 0.874 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.233 -10.240 1.572 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.251 -7.767 2.967 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.222 -7.917 4.384 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.304 -9.308 4.634 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.168 -9.491 3.650 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.013 -6.869 2.187 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.319 -8.434 1.407 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.005 -7.405 0.811 1.00 0.00 H new ATOM 432 N ALA A 27 -4.128 -10.271 3.181 1.00 0.00 N ATOM 433 CA ALA A 27 -4.941 -11.116 4.052 1.00 0.00 C ATOM 434 C ALA A 27 -5.018 -12.539 3.503 1.00 0.00 C ATOM 435 O ALA A 27 -5.122 -13.490 4.276 1.00 0.00 O ATOM 436 CB ALA A 27 -6.349 -10.544 4.239 1.00 0.00 C ATOM 0 H ALA A 27 -4.628 -9.465 2.805 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.457 -11.140 5.028 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.924 -11.200 4.893 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.282 -9.553 4.687 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.844 -10.472 3.271 1.00 0.00 H new ATOM 442 N ASN A 28 -4.906 -12.702 2.182 1.00 0.00 N ATOM 443 CA ASN A 28 -4.868 -13.994 1.509 1.00 0.00 C ATOM 444 C ASN A 28 -3.736 -14.886 2.015 1.00 0.00 C ATOM 445 O ASN A 28 -3.844 -16.109 1.941 1.00 0.00 O ATOM 446 CB ASN A 28 -4.681 -13.782 0.002 1.00 0.00 C ATOM 447 CG ASN A 28 -5.450 -14.782 -0.846 1.00 0.00 C ATOM 448 OD1 ASN A 28 -6.533 -15.230 -0.480 1.00 0.00 O ATOM 449 ND2 ASN A 28 -4.951 -15.075 -2.033 1.00 0.00 N ATOM 0 H ASN A 28 -4.838 -11.914 1.537 1.00 0.00 H new ATOM 0 HA ASN A 28 -5.814 -14.492 1.723 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -5.001 -12.773 -0.258 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.620 -13.852 -0.239 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -5.467 -15.685 -2.667 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -4.049 -14.691 -2.316 1.00 0.00 H new ATOM 456 N GLU A 29 -2.661 -14.294 2.545 1.00 0.00 N ATOM 457 CA GLU A 29 -1.501 -15.009 3.060 1.00 0.00 C ATOM 458 C GLU A 29 -1.262 -14.716 4.552 1.00 0.00 C ATOM 459 O GLU A 29 -0.732 -15.567 5.271 1.00 0.00 O ATOM 460 CB GLU A 29 -0.301 -14.769 2.121 1.00 0.00 C ATOM 461 CG GLU A 29 0.454 -13.425 2.227 1.00 0.00 C ATOM 462 CD GLU A 29 1.873 -13.526 2.817 1.00 0.00 C ATOM 463 OE1 GLU A 29 2.498 -14.618 2.777 1.00 0.00 O ATOM 464 OE2 GLU A 29 2.376 -12.522 3.370 1.00 0.00 O ATOM 0 H GLU A 29 -2.577 -13.281 2.627 1.00 0.00 H new ATOM 0 HA GLU A 29 -1.677 -16.085 3.051 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.419 -15.569 2.291 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.656 -14.871 1.095 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.520 -12.982 1.233 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -0.132 -12.743 2.842 1.00 0.00 H new ATOM 471 N MET A 30 -1.752 -13.586 5.066 1.00 0.00 N ATOM 472 CA MET A 30 -1.697 -13.152 6.456 1.00 0.00 C ATOM 473 C MET A 30 -3.068 -12.630 6.915 1.00 0.00 C ATOM 474 O MET A 30 -3.242 -11.417 7.045 1.00 0.00 O ATOM 475 CB MET A 30 -0.595 -12.098 6.662 1.00 0.00 C ATOM 476 CG MET A 30 0.804 -12.614 6.323 1.00 0.00 C ATOM 477 SD MET A 30 2.148 -11.865 7.283 1.00 0.00 S ATOM 478 CE MET A 30 2.450 -13.188 8.488 1.00 0.00 C ATOM 0 H MET A 30 -2.231 -12.905 4.477 1.00 0.00 H new ATOM 0 HA MET A 30 -1.444 -14.013 7.074 1.00 0.00 H new ATOM 0 HB2 MET A 30 -0.814 -11.228 6.043 1.00 0.00 H new ATOM 0 HB3 MET A 30 -0.610 -11.764 7.699 1.00 0.00 H new ATOM 0 HG2 MET A 30 0.825 -13.693 6.477 1.00 0.00 H new ATOM 0 HG3 MET A 30 0.993 -12.440 5.264 1.00 0.00 H new ATOM 0 HE1 MET A 30 2.941 -12.773 9.368 1.00 0.00 H new ATOM 0 HE2 MET A 30 1.501 -13.638 8.780 1.00 0.00 H new ATOM 0 HE3 MET A 30 3.089 -13.949 8.040 1.00 0.00 H new ATOM 488 N PRO A 31 -4.052 -13.508 7.186 1.00 0.00 N ATOM 489 CA PRO A 31 -5.432 -13.134 7.521 1.00 0.00 C ATOM 490 C PRO A 31 -5.594 -12.508 8.917 1.00 0.00 C ATOM 491 O PRO A 31 -6.650 -12.639 9.535 1.00 0.00 O ATOM 492 CB PRO A 31 -6.242 -14.430 7.367 1.00 0.00 C ATOM 493 CG PRO A 31 -5.227 -15.529 7.655 1.00 0.00 C ATOM 494 CD PRO A 31 -3.945 -14.957 7.059 1.00 0.00 C ATOM 0 HA PRO A 31 -5.783 -12.343 6.859 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -7.078 -14.465 8.065 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.660 -14.524 6.365 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.128 -15.720 8.723 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.507 -16.473 7.187 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.068 -15.331 7.588 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.836 -15.250 6.015 1.00 0.00 H new ATOM 502 N ASP A 32 -4.586 -11.818 9.447 1.00 0.00 N ATOM 503 CA ASP A 32 -4.498 -11.465 10.860 1.00 0.00 C ATOM 504 C ASP A 32 -3.241 -10.644 11.106 1.00 0.00 C ATOM 505 O ASP A 32 -3.337 -9.567 11.704 1.00 0.00 O ATOM 506 CB ASP A 32 -4.434 -12.727 11.738 1.00 0.00 C ATOM 507 CG ASP A 32 -4.058 -12.349 13.165 1.00 0.00 C ATOM 508 OD1 ASP A 32 -4.879 -11.708 13.860 1.00 0.00 O ATOM 509 OD2 ASP A 32 -2.915 -12.635 13.587 1.00 0.00 O ATOM 0 H ASP A 32 -3.795 -11.484 8.896 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.387 -10.890 11.120 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.398 -13.235 11.730 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.702 -13.425 11.333 1.00 0.00 H new ATOM 514 N ALA A 33 -2.083 -11.089 10.607 1.00 0.00 N ATOM 515 CA ALA A 33 -0.859 -10.295 10.590 1.00 0.00 C ATOM 516 C ALA A 33 -0.907 -9.256 9.460 1.00 0.00 C ATOM 517 O ALA A 33 0.018 -9.167 8.656 1.00 0.00 O ATOM 518 CB ALA A 33 0.369 -11.209 10.479 1.00 0.00 C ATOM 0 H ALA A 33 -1.972 -12.018 10.201 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.776 -9.749 11.530 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.274 -10.602 10.467 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.397 -11.886 11.333 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.309 -11.789 9.558 1.00 0.00 H new ATOM 524 N VAL A 34 -1.950 -8.434 9.430 1.00 0.00 N ATOM 525 CA VAL A 34 -2.112 -7.352 8.478 1.00 0.00 C ATOM 526 C VAL A 34 -2.629 -6.133 9.251 1.00 0.00 C ATOM 527 O VAL A 34 -3.511 -6.266 10.104 1.00 0.00 O ATOM 528 CB VAL A 34 -3.009 -7.847 7.315 1.00 0.00 C ATOM 529 CG1 VAL A 34 -4.468 -8.128 7.712 1.00 0.00 C ATOM 530 CG2 VAL A 34 -2.981 -6.860 6.142 1.00 0.00 C ATOM 0 H VAL A 34 -2.726 -8.508 10.088 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.182 -7.039 8.004 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.578 -8.803 7.017 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.023 -8.470 6.839 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.493 -8.899 8.482 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.923 -7.215 8.097 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.618 -7.231 5.339 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.345 -5.888 6.475 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.959 -6.758 5.776 1.00 0.00 H new ATOM 540 N GLU A 35 -2.083 -4.953 8.982 1.00 0.00 N ATOM 541 CA GLU A 35 -2.596 -3.662 9.418 1.00 0.00 C ATOM 542 C GLU A 35 -2.662 -2.789 8.171 1.00 0.00 C ATOM 543 O GLU A 35 -1.753 -2.858 7.342 1.00 0.00 O ATOM 544 CB GLU A 35 -1.663 -3.049 10.469 1.00 0.00 C ATOM 545 CG GLU A 35 -2.331 -1.910 11.249 1.00 0.00 C ATOM 546 CD GLU A 35 -1.359 -1.184 12.181 1.00 0.00 C ATOM 547 OE1 GLU A 35 -0.582 -1.846 12.905 1.00 0.00 O ATOM 548 OE2 GLU A 35 -1.389 0.072 12.240 1.00 0.00 O ATOM 0 H GLU A 35 -1.231 -4.867 8.428 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.578 -3.754 9.881 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.345 -3.825 11.165 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.765 -2.673 9.979 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.757 -1.194 10.546 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.158 -2.312 11.835 1.00 0.00 H new ATOM 555 N VAL A 36 -3.733 -2.017 8.008 1.00 0.00 N ATOM 556 CA VAL A 36 -4.051 -1.309 6.776 1.00 0.00 C ATOM 557 C VAL A 36 -4.657 0.048 7.106 1.00 0.00 C ATOM 558 O VAL A 36 -5.663 0.111 7.816 1.00 0.00 O ATOM 559 CB VAL A 36 -5.011 -2.148 5.901 1.00 0.00 C ATOM 560 CG1 VAL A 36 -4.211 -3.135 5.046 1.00 0.00 C ATOM 561 CG2 VAL A 36 -6.095 -2.913 6.685 1.00 0.00 C ATOM 0 H VAL A 36 -4.419 -1.864 8.748 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.135 -1.152 6.207 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.541 -1.427 5.279 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.894 -3.722 4.433 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.526 -2.585 4.401 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.643 -3.801 5.695 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.720 -3.473 5.989 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.621 -3.603 7.382 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.712 -2.205 7.238 1.00 0.00 H new ATOM 571 N GLU A 37 -4.109 1.130 6.547 1.00 0.00 N ATOM 572 CA GLU A 37 -4.748 2.438 6.581 1.00 0.00 C ATOM 573 C GLU A 37 -4.827 2.991 5.162 1.00 0.00 C ATOM 574 O GLU A 37 -3.811 3.301 4.542 1.00 0.00 O ATOM 575 CB GLU A 37 -4.035 3.382 7.555 1.00 0.00 C ATOM 576 CG GLU A 37 -4.193 2.896 9.003 1.00 0.00 C ATOM 577 CD GLU A 37 -3.963 4.030 9.991 1.00 0.00 C ATOM 578 OE1 GLU A 37 -4.928 4.775 10.290 1.00 0.00 O ATOM 579 OE2 GLU A 37 -2.828 4.202 10.490 1.00 0.00 O ATOM 0 H GLU A 37 -3.212 1.119 6.061 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.765 2.342 6.961 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -2.977 3.442 7.301 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.444 4.388 7.458 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.192 2.484 9.144 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -3.485 2.090 9.198 1.00 0.00 H new ATOM 586 N TYR A 38 -6.041 3.078 4.620 1.00 0.00 N ATOM 587 CA TYR A 38 -6.346 3.833 3.417 1.00 0.00 C ATOM 588 C TYR A 38 -6.412 5.301 3.826 1.00 0.00 C ATOM 589 O TYR A 38 -7.384 5.715 4.469 1.00 0.00 O ATOM 590 CB TYR A 38 -7.678 3.350 2.825 1.00 0.00 C ATOM 591 CG TYR A 38 -7.999 3.755 1.389 1.00 0.00 C ATOM 592 CD1 TYR A 38 -7.261 4.727 0.673 1.00 0.00 C ATOM 593 CD2 TYR A 38 -9.104 3.142 0.767 1.00 0.00 C ATOM 594 CE1 TYR A 38 -7.636 5.082 -0.635 1.00 0.00 C ATOM 595 CE2 TYR A 38 -9.468 3.473 -0.548 1.00 0.00 C ATOM 596 CZ TYR A 38 -8.739 4.453 -1.251 1.00 0.00 C ATOM 597 OH TYR A 38 -9.151 4.840 -2.487 1.00 0.00 O ATOM 0 H TYR A 38 -6.856 2.612 5.019 1.00 0.00 H new ATOM 0 HA TYR A 38 -5.587 3.694 2.647 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -7.695 2.261 2.879 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.482 3.714 3.465 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -6.405 5.199 1.133 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -9.680 2.407 1.309 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -7.079 5.837 -1.169 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -10.304 2.978 -1.019 1.00 0.00 H new ATOM 0 HH TYR A 38 -9.922 4.300 -2.759 1.00 0.00 H new ATOM 607 N ILE A 39 -5.406 6.097 3.467 1.00 0.00 N ATOM 608 CA ILE A 39 -5.387 7.522 3.756 1.00 0.00 C ATOM 609 C ILE A 39 -5.300 8.253 2.423 1.00 0.00 C ATOM 610 O ILE A 39 -4.229 8.483 1.861 1.00 0.00 O ATOM 611 CB ILE A 39 -4.364 7.919 4.849 1.00 0.00 C ATOM 612 CG1 ILE A 39 -2.871 7.626 4.594 1.00 0.00 C ATOM 613 CG2 ILE A 39 -4.798 7.328 6.202 1.00 0.00 C ATOM 614 CD1 ILE A 39 -2.411 6.166 4.578 1.00 0.00 C ATOM 0 H ILE A 39 -4.581 5.767 2.966 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.311 7.841 4.239 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.397 9.008 4.838 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.604 8.069 3.635 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.294 8.148 5.358 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.077 7.608 6.970 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.781 7.715 6.469 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.844 6.242 6.127 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.339 6.124 4.387 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.626 5.706 5.543 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.940 5.626 3.793 1.00 0.00 H new ATOM 626 N ASN A 40 -6.476 8.566 1.876 1.00 0.00 N ATOM 627 CA ASN A 40 -6.572 9.584 0.848 1.00 0.00 C ATOM 628 C ASN A 40 -6.200 10.901 1.519 1.00 0.00 C ATOM 629 O ASN A 40 -6.991 11.390 2.331 1.00 0.00 O ATOM 630 CB ASN A 40 -7.972 9.629 0.235 1.00 0.00 C ATOM 631 CG ASN A 40 -8.146 10.783 -0.745 1.00 0.00 C ATOM 632 OD1 ASN A 40 -8.250 10.557 -1.943 1.00 0.00 O ATOM 633 ND2 ASN A 40 -8.191 12.023 -0.292 1.00 0.00 N ATOM 0 H ASN A 40 -7.363 8.130 2.129 1.00 0.00 H new ATOM 0 HA ASN A 40 -5.900 9.371 0.017 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -8.170 8.688 -0.279 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.711 9.719 1.032 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.313 12.799 -0.942 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -8.104 12.204 0.708 1.00 0.00 H new ATOM 640 N VAL A 41 -5.027 11.442 1.189 1.00 0.00 N ATOM 641 CA VAL A 41 -4.479 12.697 1.698 1.00 0.00 C ATOM 642 C VAL A 41 -5.581 13.763 1.698 1.00 0.00 C ATOM 643 O VAL A 41 -6.016 14.182 0.622 1.00 0.00 O ATOM 644 CB VAL A 41 -3.277 13.137 0.840 1.00 0.00 C ATOM 645 CG1 VAL A 41 -2.652 14.443 1.355 1.00 0.00 C ATOM 646 CG2 VAL A 41 -2.167 12.075 0.837 1.00 0.00 C ATOM 0 H VAL A 41 -4.400 10.991 0.523 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.125 12.560 2.720 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.672 13.281 -0.166 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.808 14.717 0.722 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.398 15.238 1.330 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.306 14.302 2.379 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.336 12.419 0.222 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.820 11.909 1.857 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.557 11.142 0.430 1.00 0.00 H new ATOM 656 N MET A 42 -6.051 14.176 2.874 1.00 0.00 N ATOM 657 CA MET A 42 -7.074 15.209 3.006 1.00 0.00 C ATOM 658 C MET A 42 -6.694 16.090 4.193 1.00 0.00 C ATOM 659 O MET A 42 -6.246 17.225 4.015 1.00 0.00 O ATOM 660 CB MET A 42 -8.466 14.559 3.135 1.00 0.00 C ATOM 661 CG MET A 42 -9.579 15.531 2.739 1.00 0.00 C ATOM 662 SD MET A 42 -9.928 15.541 0.955 1.00 0.00 S ATOM 663 CE MET A 42 -11.095 14.156 0.882 1.00 0.00 C ATOM 0 H MET A 42 -5.730 13.800 3.766 1.00 0.00 H new ATOM 0 HA MET A 42 -7.128 15.843 2.121 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.514 13.672 2.503 1.00 0.00 H new ATOM 0 HB3 MET A 42 -8.620 14.227 4.162 1.00 0.00 H new ATOM 0 HG2 MET A 42 -10.489 15.269 3.278 1.00 0.00 H new ATOM 0 HG3 MET A 42 -9.301 16.537 3.053 1.00 0.00 H new ATOM 0 HE1 MET A 42 -11.423 14.010 -0.147 1.00 0.00 H new ATOM 0 HE2 MET A 42 -10.607 13.249 1.239 1.00 0.00 H new ATOM 0 HE3 MET A 42 -11.959 14.374 1.510 1.00 0.00 H new ATOM 673 N GLU A 43 -6.751 15.531 5.400 1.00 0.00 N ATOM 674 CA GLU A 43 -6.327 16.130 6.655 1.00 0.00 C ATOM 675 C GLU A 43 -5.497 15.053 7.335 1.00 0.00 C ATOM 676 O GLU A 43 -6.013 14.178 8.041 1.00 0.00 O ATOM 677 CB GLU A 43 -7.534 16.537 7.497 1.00 0.00 C ATOM 678 CG GLU A 43 -8.263 17.766 6.942 1.00 0.00 C ATOM 679 CD GLU A 43 -9.526 18.087 7.739 1.00 0.00 C ATOM 680 OE1 GLU A 43 -9.953 17.277 8.599 1.00 0.00 O ATOM 681 OE2 GLU A 43 -10.159 19.130 7.457 1.00 0.00 O ATOM 0 H GLU A 43 -7.118 14.588 5.531 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.753 17.045 6.510 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.231 15.701 7.551 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.206 16.745 8.516 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.593 18.625 6.962 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.526 17.591 5.899 1.00 0.00 H new ATOM 688 N ASN A 44 -4.214 15.034 6.994 1.00 0.00 N ATOM 689 CA ASN A 44 -3.286 14.010 7.423 1.00 0.00 C ATOM 690 C ASN A 44 -1.958 14.657 7.776 1.00 0.00 C ATOM 691 O ASN A 44 -1.555 15.608 7.099 1.00 0.00 O ATOM 692 CB ASN A 44 -3.086 12.987 6.294 1.00 0.00 C ATOM 693 CG ASN A 44 -4.338 12.171 6.000 1.00 0.00 C ATOM 694 OD1 ASN A 44 -4.950 12.315 4.947 1.00 0.00 O ATOM 695 ND2 ASN A 44 -4.759 11.311 6.915 1.00 0.00 N ATOM 0 H ASN A 44 -3.788 15.746 6.401 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.684 13.497 8.299 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.779 13.510 5.388 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.274 12.312 6.563 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -5.601 10.760 6.748 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -4.242 11.200 7.787 1.00 0.00 H new ATOM 702 N PRO A 45 -1.209 14.101 8.740 1.00 0.00 N ATOM 703 CA PRO A 45 0.194 14.421 8.840 1.00 0.00 C ATOM 704 C PRO A 45 0.836 13.934 7.547 1.00 0.00 C ATOM 705 O PRO A 45 0.545 12.829 7.076 1.00 0.00 O ATOM 706 CB PRO A 45 0.709 13.684 10.073 1.00 0.00 C ATOM 707 CG PRO A 45 -0.242 12.493 10.217 1.00 0.00 C ATOM 708 CD PRO A 45 -1.558 13.000 9.625 1.00 0.00 C ATOM 0 HA PRO A 45 0.415 15.482 8.954 1.00 0.00 H new ATOM 0 HB2 PRO A 45 1.740 13.357 9.941 1.00 0.00 H new ATOM 0 HB3 PRO A 45 0.687 14.321 10.957 1.00 0.00 H new ATOM 0 HG2 PRO A 45 0.127 11.619 9.680 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.360 12.200 11.260 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.069 12.208 9.078 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -2.236 13.333 10.411 1.00 0.00 H new ATOM 716 N GLN A 46 1.735 14.729 6.979 1.00 0.00 N ATOM 717 CA GLN A 46 2.474 14.385 5.770 1.00 0.00 C ATOM 718 C GLN A 46 3.542 13.319 6.071 1.00 0.00 C ATOM 719 O GLN A 46 4.641 13.373 5.528 1.00 0.00 O ATOM 720 CB GLN A 46 3.043 15.672 5.133 1.00 0.00 C ATOM 721 CG GLN A 46 2.020 16.395 4.234 1.00 0.00 C ATOM 722 CD GLN A 46 1.272 17.539 4.915 1.00 0.00 C ATOM 723 OE1 GLN A 46 1.174 17.615 6.140 1.00 0.00 O ATOM 724 NE2 GLN A 46 0.781 18.504 4.153 1.00 0.00 N ATOM 0 H GLN A 46 1.975 15.647 7.352 1.00 0.00 H new ATOM 0 HA GLN A 46 1.807 13.933 5.035 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.369 16.349 5.922 1.00 0.00 H new ATOM 0 HB3 GLN A 46 3.925 15.421 4.544 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.538 16.787 3.359 1.00 0.00 H new ATOM 0 HG3 GLN A 46 1.293 15.667 3.874 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.861 18.443 3.138 1.00 0.00 H new ATOM 0 HE22 GLN A 46 0.323 19.308 4.581 1.00 0.00 H new ATOM 733 N LYS A 47 3.245 12.328 6.918 1.00 0.00 N ATOM 734 CA LYS A 47 4.218 11.361 7.401 1.00 0.00 C ATOM 735 C LYS A 47 4.845 10.554 6.279 1.00 0.00 C ATOM 736 O LYS A 47 5.985 10.130 6.417 1.00 0.00 O ATOM 737 CB LYS A 47 3.608 10.454 8.480 1.00 0.00 C ATOM 738 CG LYS A 47 2.846 9.192 8.033 1.00 0.00 C ATOM 739 CD LYS A 47 1.513 9.459 7.325 1.00 0.00 C ATOM 740 CE LYS A 47 0.728 8.160 7.089 1.00 0.00 C ATOM 741 NZ LYS A 47 0.370 7.471 8.345 1.00 0.00 N ATOM 0 H LYS A 47 2.307 12.179 7.289 1.00 0.00 H new ATOM 0 HA LYS A 47 5.028 11.928 7.859 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.414 10.138 9.142 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.925 11.060 9.076 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.487 8.616 7.365 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.658 8.570 8.908 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.913 10.144 7.924 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.700 9.951 6.370 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.181 8.387 6.532 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.323 7.489 6.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.396 6.792 8.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.201 6.965 8.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.052 8.170 9.046 1.00 0.00 H new ATOM 755 N ALA A 48 4.106 10.304 5.195 1.00 0.00 N ATOM 756 CA ALA A 48 4.663 9.627 4.041 1.00 0.00 C ATOM 757 C ALA A 48 5.235 10.625 3.023 1.00 0.00 C ATOM 758 O ALA A 48 6.235 10.356 2.370 1.00 0.00 O ATOM 759 CB ALA A 48 3.635 8.685 3.432 1.00 0.00 C ATOM 0 H ALA A 48 3.124 10.563 5.101 1.00 0.00 H new ATOM 0 HA ALA A 48 5.505 9.017 4.368 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.068 8.184 2.566 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.340 7.941 4.172 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.759 9.254 3.121 1.00 0.00 H new ATOM 765 N MET A 49 4.651 11.818 2.921 1.00 0.00 N ATOM 766 CA MET A 49 5.242 12.932 2.175 1.00 0.00 C ATOM 767 C MET A 49 6.551 13.430 2.816 1.00 0.00 C ATOM 768 O MET A 49 7.233 14.267 2.224 1.00 0.00 O ATOM 769 CB MET A 49 4.207 14.056 2.040 1.00 0.00 C ATOM 770 CG MET A 49 3.329 13.847 0.811 1.00 0.00 C ATOM 771 SD MET A 49 1.910 14.968 0.727 1.00 0.00 S ATOM 772 CE MET A 49 1.254 14.476 -0.886 1.00 0.00 C ATOM 0 H MET A 49 3.754 12.041 3.353 1.00 0.00 H new ATOM 0 HA MET A 49 5.513 12.580 1.180 1.00 0.00 H new ATOM 0 HB2 MET A 49 3.585 14.091 2.934 1.00 0.00 H new ATOM 0 HB3 MET A 49 4.716 15.017 1.968 1.00 0.00 H new ATOM 0 HG2 MET A 49 3.937 13.978 -0.084 1.00 0.00 H new ATOM 0 HG3 MET A 49 2.968 12.818 0.804 1.00 0.00 H new ATOM 0 HE1 MET A 49 0.366 15.066 -1.113 1.00 0.00 H new ATOM 0 HE2 MET A 49 2.009 14.647 -1.653 1.00 0.00 H new ATOM 0 HE3 MET A 49 0.991 13.418 -0.865 1.00 0.00 H new ATOM 782 N GLU A 50 6.909 12.934 4.005 1.00 0.00 N ATOM 783 CA GLU A 50 8.201 13.160 4.635 1.00 0.00 C ATOM 784 C GLU A 50 9.305 12.369 3.924 1.00 0.00 C ATOM 785 O GLU A 50 10.461 12.799 3.932 1.00 0.00 O ATOM 786 CB GLU A 50 8.131 12.850 6.146 1.00 0.00 C ATOM 787 CG GLU A 50 8.766 11.527 6.616 1.00 0.00 C ATOM 788 CD GLU A 50 8.616 11.316 8.133 1.00 0.00 C ATOM 789 OE1 GLU A 50 7.732 11.923 8.783 1.00 0.00 O ATOM 790 OE2 GLU A 50 9.455 10.596 8.728 1.00 0.00 O ATOM 0 H GLU A 50 6.288 12.350 4.565 1.00 0.00 H new ATOM 0 HA GLU A 50 8.459 14.214 4.536 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.613 13.667 6.683 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.082 12.848 6.444 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.301 10.695 6.088 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.824 11.520 6.353 1.00 0.00 H new ATOM 797 N TYR A 51 8.965 11.212 3.348 1.00 0.00 N ATOM 798 CA TYR A 51 9.915 10.320 2.705 1.00 0.00 C ATOM 799 C TYR A 51 10.495 10.977 1.450 1.00 0.00 C ATOM 800 O TYR A 51 9.942 11.942 0.924 1.00 0.00 O ATOM 801 CB TYR A 51 9.208 9.036 2.269 1.00 0.00 C ATOM 802 CG TYR A 51 8.632 8.099 3.314 1.00 0.00 C ATOM 803 CD1 TYR A 51 9.463 7.488 4.271 1.00 0.00 C ATOM 804 CD2 TYR A 51 7.297 7.670 3.192 1.00 0.00 C ATOM 805 CE1 TYR A 51 8.946 6.491 5.120 1.00 0.00 C ATOM 806 CE2 TYR A 51 6.760 6.707 4.061 1.00 0.00 C ATOM 807 CZ TYR A 51 7.587 6.112 5.036 1.00 0.00 C ATOM 808 OH TYR A 51 7.083 5.149 5.854 1.00 0.00 O ATOM 0 H TYR A 51 8.005 10.870 3.319 1.00 0.00 H new ATOM 0 HA TYR A 51 10.709 10.101 3.419 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.392 9.323 1.605 1.00 0.00 H new ATOM 0 HB3 TYR A 51 9.917 8.461 1.673 1.00 0.00 H new ATOM 0 HD1 TYR A 51 10.498 7.784 4.354 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.674 8.089 2.416 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.593 6.012 5.841 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.721 6.424 3.983 1.00 0.00 H new ATOM 0 HH TYR A 51 6.132 5.018 5.658 1.00 0.00 H new ATOM 818 N GLY A 52 11.540 10.369 0.889 1.00 0.00 N ATOM 819 CA GLY A 52 12.109 10.783 -0.379 1.00 0.00 C ATOM 820 C GLY A 52 11.136 10.604 -1.544 1.00 0.00 C ATOM 821 O GLY A 52 11.225 11.388 -2.488 1.00 0.00 O ATOM 0 H GLY A 52 12.014 9.570 1.310 1.00 0.00 H new ATOM 0 HA2 GLY A 52 12.406 11.830 -0.316 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.013 10.206 -0.573 1.00 0.00 H new ATOM 825 N ILE A 53 10.219 9.618 -1.505 1.00 0.00 N ATOM 826 CA ILE A 53 9.248 9.378 -2.583 1.00 0.00 C ATOM 827 C ILE A 53 8.534 10.684 -2.919 1.00 0.00 C ATOM 828 O ILE A 53 8.697 11.201 -4.021 1.00 0.00 O ATOM 829 CB ILE A 53 8.262 8.201 -2.301 1.00 0.00 C ATOM 830 CG1 ILE A 53 7.031 8.194 -3.253 1.00 0.00 C ATOM 831 CG2 ILE A 53 7.770 8.094 -0.848 1.00 0.00 C ATOM 832 CD1 ILE A 53 7.453 7.858 -4.684 1.00 0.00 C ATOM 0 H ILE A 53 10.133 8.967 -0.724 1.00 0.00 H new ATOM 0 HA ILE A 53 9.803 9.043 -3.459 1.00 0.00 H new ATOM 0 HB ILE A 53 8.880 7.325 -2.498 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.300 7.465 -2.904 1.00 0.00 H new ATOM 0 HG13 ILE A 53 6.544 9.169 -3.232 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.091 7.246 -0.755 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.623 7.950 -0.185 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.247 9.010 -0.573 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.576 7.859 -5.332 1.00 0.00 H new ATOM 0 HD12 ILE A 53 8.166 8.603 -5.037 1.00 0.00 H new ATOM 0 HD13 ILE A 53 7.918 6.872 -4.704 1.00 0.00 H new ATOM 844 N MET A 54 7.744 11.193 -1.970 1.00 0.00 N ATOM 845 CA MET A 54 6.803 12.303 -2.085 1.00 0.00 C ATOM 846 C MET A 54 5.700 12.104 -3.136 1.00 0.00 C ATOM 847 O MET A 54 4.552 12.461 -2.851 1.00 0.00 O ATOM 848 CB MET A 54 7.559 13.626 -2.251 1.00 0.00 C ATOM 849 CG MET A 54 8.473 13.870 -1.046 1.00 0.00 C ATOM 850 SD MET A 54 8.929 15.601 -0.770 1.00 0.00 S ATOM 851 CE MET A 54 10.147 15.313 0.535 1.00 0.00 C ATOM 0 H MET A 54 7.749 10.806 -1.026 1.00 0.00 H new ATOM 0 HA MET A 54 6.250 12.338 -1.146 1.00 0.00 H new ATOM 0 HB2 MET A 54 8.151 13.602 -3.166 1.00 0.00 H new ATOM 0 HB3 MET A 54 6.850 14.448 -2.351 1.00 0.00 H new ATOM 0 HG2 MET A 54 7.978 13.493 -0.151 1.00 0.00 H new ATOM 0 HG3 MET A 54 9.384 13.286 -1.176 1.00 0.00 H new ATOM 0 HE1 MET A 54 10.564 16.266 0.860 1.00 0.00 H new ATOM 0 HE2 MET A 54 9.666 14.820 1.380 1.00 0.00 H new ATOM 0 HE3 MET A 54 10.947 14.679 0.153 1.00 0.00 H new ATOM 861 N ALA A 55 5.994 11.519 -4.299 1.00 0.00 N ATOM 862 CA ALA A 55 5.048 11.181 -5.344 1.00 0.00 C ATOM 863 C ALA A 55 4.031 10.145 -4.850 1.00 0.00 C ATOM 864 O ALA A 55 4.290 8.943 -4.779 1.00 0.00 O ATOM 865 CB ALA A 55 5.784 10.714 -6.604 1.00 0.00 C ATOM 0 H ALA A 55 6.950 11.258 -4.542 1.00 0.00 H new ATOM 0 HA ALA A 55 4.485 12.076 -5.608 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.058 10.464 -7.378 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.436 11.511 -6.961 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.383 9.833 -6.370 1.00 0.00 H new ATOM 871 N VAL A 56 2.850 10.621 -4.489 1.00 0.00 N ATOM 872 CA VAL A 56 1.652 9.796 -4.413 1.00 0.00 C ATOM 873 C VAL A 56 1.347 9.205 -5.806 1.00 0.00 C ATOM 874 O VAL A 56 1.630 9.865 -6.810 1.00 0.00 O ATOM 875 CB VAL A 56 0.472 10.571 -3.783 1.00 0.00 C ATOM 876 CG1 VAL A 56 0.723 10.790 -2.288 1.00 0.00 C ATOM 877 CG2 VAL A 56 0.182 11.941 -4.404 1.00 0.00 C ATOM 0 H VAL A 56 2.693 11.597 -4.239 1.00 0.00 H new ATOM 0 HA VAL A 56 1.822 8.955 -3.741 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.396 9.940 -3.975 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.114 11.337 -1.855 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.823 9.825 -1.791 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.640 11.364 -2.153 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.662 12.401 -3.891 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.060 12.579 -4.303 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.058 11.818 -5.460 1.00 0.00 H new ATOM 887 N PRO A 57 0.728 8.012 -5.927 1.00 0.00 N ATOM 888 CA PRO A 57 0.238 7.130 -4.870 1.00 0.00 C ATOM 889 C PRO A 57 1.387 6.439 -4.121 1.00 0.00 C ATOM 890 O PRO A 57 2.104 5.616 -4.676 1.00 0.00 O ATOM 891 CB PRO A 57 -0.675 6.126 -5.587 1.00 0.00 C ATOM 892 CG PRO A 57 -0.064 6.007 -6.974 1.00 0.00 C ATOM 893 CD PRO A 57 0.459 7.419 -7.231 1.00 0.00 C ATOM 0 HA PRO A 57 -0.299 7.680 -4.097 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.693 5.164 -5.074 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.704 6.483 -5.632 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.736 5.267 -7.002 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.802 5.707 -7.718 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.364 7.392 -7.837 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.275 8.009 -7.780 1.00 0.00 H new ATOM 901 N THR A 58 1.555 6.785 -2.851 1.00 0.00 N ATOM 902 CA THR A 58 2.640 6.395 -1.972 1.00 0.00 C ATOM 903 C THR A 58 2.129 5.200 -1.163 1.00 0.00 C ATOM 904 O THR A 58 1.116 5.290 -0.464 1.00 0.00 O ATOM 905 CB THR A 58 2.974 7.654 -1.151 1.00 0.00 C ATOM 906 OG1 THR A 58 3.645 8.607 -1.958 1.00 0.00 O ATOM 907 CG2 THR A 58 3.805 7.484 0.111 1.00 0.00 C ATOM 0 H THR A 58 0.884 7.390 -2.378 1.00 0.00 H new ATOM 0 HA THR A 58 3.561 6.069 -2.456 1.00 0.00 H new ATOM 0 HB THR A 58 1.986 7.970 -0.816 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.686 8.282 -2.882 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.958 8.456 0.580 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.283 6.825 0.804 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.771 7.049 -0.145 1.00 0.00 H new ATOM 915 N ILE A 59 2.777 4.048 -1.317 1.00 0.00 N ATOM 916 CA ILE A 59 2.267 2.774 -0.842 1.00 0.00 C ATOM 917 C ILE A 59 3.346 2.154 0.032 1.00 0.00 C ATOM 918 O ILE A 59 4.427 1.846 -0.466 1.00 0.00 O ATOM 919 CB ILE A 59 1.923 1.861 -2.040 1.00 0.00 C ATOM 920 CG1 ILE A 59 1.078 2.497 -3.162 1.00 0.00 C ATOM 921 CG2 ILE A 59 1.225 0.595 -1.504 1.00 0.00 C ATOM 922 CD1 ILE A 59 -0.324 2.927 -2.746 1.00 0.00 C ATOM 0 H ILE A 59 3.682 3.977 -1.782 1.00 0.00 H new ATOM 0 HA ILE A 59 1.351 2.907 -0.265 1.00 0.00 H new ATOM 0 HB ILE A 59 2.874 1.638 -2.523 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.609 3.367 -3.548 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.995 1.784 -3.983 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.974 -0.062 -2.337 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.893 0.074 -0.819 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.313 0.877 -0.977 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.840 3.362 -3.602 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.880 2.060 -2.390 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.256 3.667 -1.949 1.00 0.00 H new ATOM 934 N VAL A 60 3.084 1.904 1.308 1.00 0.00 N ATOM 935 CA VAL A 60 3.987 1.102 2.126 1.00 0.00 C ATOM 936 C VAL A 60 3.377 -0.284 2.241 1.00 0.00 C ATOM 937 O VAL A 60 2.175 -0.389 2.492 1.00 0.00 O ATOM 938 CB VAL A 60 4.390 1.805 3.442 1.00 0.00 C ATOM 939 CG1 VAL A 60 3.310 2.585 4.134 1.00 0.00 C ATOM 940 CG2 VAL A 60 4.996 0.839 4.457 1.00 0.00 C ATOM 0 H VAL A 60 2.257 2.243 1.799 1.00 0.00 H new ATOM 0 HA VAL A 60 4.963 0.984 1.655 1.00 0.00 H new ATOM 0 HB VAL A 60 5.130 2.526 3.094 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.710 3.032 5.044 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.948 3.371 3.472 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.486 1.918 4.390 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.262 1.383 5.363 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.270 0.063 4.699 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.890 0.380 4.034 1.00 0.00 H new ATOM 950 N ILE A 61 4.204 -1.311 1.987 1.00 0.00 N ATOM 951 CA ILE A 61 3.909 -2.729 2.263 1.00 0.00 C ATOM 952 C ILE A 61 5.069 -3.325 3.068 1.00 0.00 C ATOM 953 O ILE A 61 6.159 -2.751 3.032 1.00 0.00 O ATOM 954 CB ILE A 61 3.687 -3.519 0.953 1.00 0.00 C ATOM 955 CG1 ILE A 61 4.993 -3.565 0.118 1.00 0.00 C ATOM 956 CG2 ILE A 61 2.488 -2.909 0.202 1.00 0.00 C ATOM 957 CD1 ILE A 61 4.874 -4.221 -1.253 1.00 0.00 C ATOM 0 H ILE A 61 5.125 -1.175 1.571 1.00 0.00 H new ATOM 0 HA ILE A 61 2.987 -2.799 2.840 1.00 0.00 H new ATOM 0 HB ILE A 61 3.441 -4.560 1.165 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.353 -2.545 -0.017 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.751 -4.098 0.692 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.321 -3.458 -0.725 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.597 -2.972 0.827 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.696 -1.864 -0.028 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.843 -4.200 -1.752 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.549 -5.255 -1.135 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.145 -3.678 -1.854 1.00 0.00 H new ATOM 969 N ASN A 62 4.880 -4.486 3.718 1.00 0.00 N ATOM 970 CA ASN A 62 5.703 -4.972 4.841 1.00 0.00 C ATOM 971 C ASN A 62 5.908 -3.883 5.906 1.00 0.00 C ATOM 972 O ASN A 62 5.279 -3.930 6.965 1.00 0.00 O ATOM 973 CB ASN A 62 7.014 -5.617 4.357 1.00 0.00 C ATOM 974 CG ASN A 62 8.087 -5.609 5.445 1.00 0.00 C ATOM 975 OD1 ASN A 62 7.882 -6.118 6.543 1.00 0.00 O ATOM 976 ND2 ASN A 62 9.222 -4.988 5.188 1.00 0.00 N ATOM 0 H ASN A 62 4.130 -5.131 3.470 1.00 0.00 H new ATOM 0 HA ASN A 62 5.151 -5.771 5.336 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.820 -6.643 4.045 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.381 -5.082 3.481 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.943 -4.926 5.906 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.378 -4.570 4.271 1.00 0.00 H new ATOM 983 N GLY A 63 6.777 -2.917 5.619 1.00 0.00 N ATOM 984 CA GLY A 63 6.976 -1.659 6.308 1.00 0.00 C ATOM 985 C GLY A 63 7.713 -0.635 5.430 1.00 0.00 C ATOM 986 O GLY A 63 7.902 0.493 5.887 1.00 0.00 O ATOM 0 H GLY A 63 7.413 -3.010 4.827 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.010 -1.252 6.607 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.546 -1.831 7.221 1.00 0.00 H new ATOM 990 N ASP A 64 8.145 -0.980 4.208 1.00 0.00 N ATOM 991 CA ASP A 64 8.834 -0.074 3.285 1.00 0.00 C ATOM 992 C ASP A 64 7.854 0.635 2.353 1.00 0.00 C ATOM 993 O ASP A 64 7.024 0.004 1.679 1.00 0.00 O ATOM 994 CB ASP A 64 9.866 -0.809 2.428 1.00 0.00 C ATOM 995 CG ASP A 64 11.199 -1.096 3.121 1.00 0.00 C ATOM 996 OD1 ASP A 64 11.381 -0.727 4.302 1.00 0.00 O ATOM 997 OD2 ASP A 64 12.099 -1.671 2.463 1.00 0.00 O ATOM 0 H ASP A 64 8.021 -1.918 3.828 1.00 0.00 H new ATOM 0 HA ASP A 64 9.340 0.661 3.911 1.00 0.00 H new ATOM 0 HB2 ASP A 64 9.435 -1.754 2.098 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.059 -0.218 1.533 1.00 0.00 H new ATOM 1002 N VAL A 65 7.983 1.958 2.275 1.00 0.00 N ATOM 1003 CA VAL A 65 7.290 2.778 1.294 1.00 0.00 C ATOM 1004 C VAL A 65 7.903 2.557 -0.089 1.00 0.00 C ATOM 1005 O VAL A 65 9.116 2.421 -0.235 1.00 0.00 O ATOM 1006 CB VAL A 65 7.323 4.244 1.749 1.00 0.00 C ATOM 1007 CG1 VAL A 65 8.717 4.869 1.604 1.00 0.00 C ATOM 1008 CG2 VAL A 65 6.254 5.046 1.000 1.00 0.00 C ATOM 0 H VAL A 65 8.582 2.495 2.903 1.00 0.00 H new ATOM 0 HA VAL A 65 6.241 2.491 1.217 1.00 0.00 H new ATOM 0 HB VAL A 65 7.094 4.273 2.814 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.687 5.906 1.939 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.430 4.312 2.211 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.025 4.834 0.559 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.283 6.085 1.328 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.447 4.998 -0.072 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.270 4.626 1.210 1.00 0.00 H new ATOM 1018 N GLU A 66 7.067 2.503 -1.118 1.00 0.00 N ATOM 1019 CA GLU A 66 7.447 2.387 -2.517 1.00 0.00 C ATOM 1020 C GLU A 66 6.203 2.845 -3.317 1.00 0.00 C ATOM 1021 O GLU A 66 5.193 3.243 -2.729 1.00 0.00 O ATOM 1022 CB GLU A 66 7.911 0.929 -2.748 1.00 0.00 C ATOM 1023 CG GLU A 66 9.229 0.727 -3.509 1.00 0.00 C ATOM 1024 CD GLU A 66 9.178 0.974 -5.019 1.00 0.00 C ATOM 1025 OE1 GLU A 66 8.754 2.064 -5.453 1.00 0.00 O ATOM 1026 OE2 GLU A 66 9.598 0.066 -5.774 1.00 0.00 O ATOM 0 H GLU A 66 6.056 2.541 -0.991 1.00 0.00 H new ATOM 0 HA GLU A 66 8.283 3.007 -2.841 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.004 0.446 -1.776 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.124 0.405 -3.290 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.979 1.390 -3.078 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.570 -0.294 -3.339 1.00 0.00 H new ATOM 1033 N PHE A 67 6.234 2.814 -4.641 1.00 0.00 N ATOM 1034 CA PHE A 67 5.187 3.318 -5.523 1.00 0.00 C ATOM 1035 C PHE A 67 5.494 2.717 -6.885 1.00 0.00 C ATOM 1036 O PHE A 67 6.571 2.995 -7.413 1.00 0.00 O ATOM 1037 CB PHE A 67 5.256 4.857 -5.549 1.00 0.00 C ATOM 1038 CG PHE A 67 4.963 5.512 -6.890 1.00 0.00 C ATOM 1039 CD1 PHE A 67 3.701 5.373 -7.495 1.00 0.00 C ATOM 1040 CD2 PHE A 67 5.981 6.209 -7.570 1.00 0.00 C ATOM 1041 CE1 PHE A 67 3.450 5.950 -8.752 1.00 0.00 C ATOM 1042 CE2 PHE A 67 5.726 6.791 -8.823 1.00 0.00 C ATOM 1043 CZ PHE A 67 4.457 6.671 -9.412 1.00 0.00 C ATOM 0 H PHE A 67 7.023 2.420 -5.154 1.00 0.00 H new ATOM 0 HA PHE A 67 4.181 3.049 -5.201 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.550 5.246 -4.815 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.252 5.162 -5.227 1.00 0.00 H new ATOM 0 HD1 PHE A 67 2.921 4.821 -6.992 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.962 6.296 -7.126 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.479 5.838 -9.211 1.00 0.00 H new ATOM 0 HE2 PHE A 67 6.508 7.332 -9.335 1.00 0.00 H new ATOM 0 HZ PHE A 67 4.257 7.131 -10.368 1.00 0.00 H new ATOM 1053 N ILE A 68 4.629 1.857 -7.437 1.00 0.00 N ATOM 1054 CA ILE A 68 4.949 1.142 -8.668 1.00 0.00 C ATOM 1055 C ILE A 68 3.785 1.221 -9.648 1.00 0.00 C ATOM 1056 O ILE A 68 3.023 0.269 -9.833 1.00 0.00 O ATOM 1057 CB ILE A 68 5.461 -0.297 -8.423 1.00 0.00 C ATOM 1058 CG1 ILE A 68 6.224 -0.447 -7.085 1.00 0.00 C ATOM 1059 CG2 ILE A 68 6.303 -0.661 -9.666 1.00 0.00 C ATOM 1060 CD1 ILE A 68 6.972 -1.765 -6.945 1.00 0.00 C ATOM 0 H ILE A 68 3.710 1.644 -7.050 1.00 0.00 H new ATOM 0 HA ILE A 68 5.796 1.646 -9.134 1.00 0.00 H new ATOM 0 HB ILE A 68 4.633 -0.997 -8.308 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.934 0.374 -6.989 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.516 -0.353 -6.262 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.696 -1.672 -9.556 1.00 0.00 H new ATOM 0 HG22 ILE A 68 5.677 -0.610 -10.557 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.130 0.042 -9.763 1.00 0.00 H new ATOM 0 HD11 ILE A 68 7.481 -1.794 -5.982 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.266 -2.593 -7.007 1.00 0.00 H new ATOM 0 HD13 ILE A 68 7.706 -1.854 -7.746 1.00 0.00 H new ATOM 1072 N GLY A 69 3.726 2.354 -10.339 1.00 0.00 N ATOM 1073 CA GLY A 69 2.890 2.546 -11.500 1.00 0.00 C ATOM 1074 C GLY A 69 1.684 3.427 -11.196 1.00 0.00 C ATOM 1075 O GLY A 69 1.367 3.738 -10.049 1.00 0.00 O ATOM 0 H GLY A 69 4.274 3.179 -10.095 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.477 2.999 -12.299 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.549 1.577 -11.865 1.00 0.00 H new ATOM 1079 N ALA A 70 0.965 3.782 -12.260 1.00 0.00 N ATOM 1080 CA ALA A 70 -0.269 4.546 -12.205 1.00 0.00 C ATOM 1081 C ALA A 70 -1.362 3.993 -11.263 1.00 0.00 C ATOM 1082 O ALA A 70 -2.171 4.820 -10.829 1.00 0.00 O ATOM 1083 CB ALA A 70 -0.812 4.719 -13.629 1.00 0.00 C ATOM 0 H ALA A 70 1.238 3.535 -13.211 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.005 5.506 -11.761 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.739 5.292 -13.598 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.078 5.249 -14.236 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.005 3.739 -14.066 1.00 0.00 H new ATOM 1089 N PRO A 71 -1.494 2.678 -10.966 1.00 0.00 N ATOM 1090 CA PRO A 71 -2.450 2.215 -9.965 1.00 0.00 C ATOM 1091 C PRO A 71 -1.915 2.446 -8.542 1.00 0.00 C ATOM 1092 O PRO A 71 -2.046 3.569 -8.046 1.00 0.00 O ATOM 1093 CB PRO A 71 -2.765 0.769 -10.344 1.00 0.00 C ATOM 1094 CG PRO A 71 -1.455 0.278 -10.952 1.00 0.00 C ATOM 1095 CD PRO A 71 -0.934 1.522 -11.668 1.00 0.00 C ATOM 0 HA PRO A 71 -3.384 2.777 -9.955 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.053 0.178 -9.475 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -3.588 0.709 -11.057 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -0.760 -0.072 -10.189 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.614 -0.551 -11.642 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.156 1.550 -11.652 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.237 1.521 -12.715 1.00 0.00 H new ATOM 1103 N THR A 72 -1.373 1.436 -7.860 1.00 0.00 N ATOM 1104 CA THR A 72 -0.797 1.493 -6.546 1.00 0.00 C ATOM 1105 C THR A 72 0.537 0.718 -6.564 1.00 0.00 C ATOM 1106 O THR A 72 1.430 1.065 -7.334 1.00 0.00 O ATOM 1107 CB THR A 72 -1.853 0.999 -5.545 1.00 0.00 C ATOM 1108 OG1 THR A 72 -2.132 -0.382 -5.575 1.00 0.00 O ATOM 1109 CG2 THR A 72 -3.185 1.756 -5.594 1.00 0.00 C ATOM 0 H THR A 72 -1.330 0.496 -8.253 1.00 0.00 H new ATOM 0 HA THR A 72 -0.536 2.501 -6.224 1.00 0.00 H new ATOM 0 HB THR A 72 -1.347 1.219 -4.605 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.731 -0.779 -6.376 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.868 1.339 -4.854 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.013 2.810 -5.376 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.623 1.658 -6.587 1.00 0.00 H new ATOM 1117 N LYS A 73 0.767 -0.237 -5.650 1.00 0.00 N ATOM 1118 CA LYS A 73 1.943 -1.112 -5.660 1.00 0.00 C ATOM 1119 C LYS A 73 1.756 -2.443 -6.415 1.00 0.00 C ATOM 1120 O LYS A 73 2.485 -3.378 -6.099 1.00 0.00 O ATOM 1121 CB LYS A 73 2.491 -1.236 -4.237 1.00 0.00 C ATOM 1122 CG LYS A 73 3.913 -1.804 -4.212 1.00 0.00 C ATOM 1123 CD LYS A 73 4.931 -0.925 -3.494 1.00 0.00 C ATOM 1124 CE LYS A 73 4.651 -0.857 -1.982 1.00 0.00 C ATOM 1125 NZ LYS A 73 5.825 -0.472 -1.165 1.00 0.00 N ATOM 0 H LYS A 73 0.131 -0.423 -4.874 1.00 0.00 H new ATOM 0 HA LYS A 73 2.713 -0.639 -6.269 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.485 -0.256 -3.760 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.834 -1.879 -3.651 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.892 -2.782 -3.731 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.246 -1.961 -5.238 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.934 -1.317 -3.662 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.907 0.080 -3.915 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.848 -0.142 -1.804 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.292 -1.830 -1.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.704 -0.827 -0.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.686 -0.883 -1.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.910 0.564 -1.146 1.00 0.00 H new ATOM 1139 N GLU A 74 0.796 -2.600 -7.330 1.00 0.00 N ATOM 1140 CA GLU A 74 0.392 -3.890 -7.922 1.00 0.00 C ATOM 1141 C GLU A 74 1.587 -4.802 -8.272 1.00 0.00 C ATOM 1142 O GLU A 74 1.599 -5.981 -7.915 1.00 0.00 O ATOM 1143 CB GLU A 74 -0.515 -3.671 -9.153 1.00 0.00 C ATOM 1144 CG GLU A 74 -2.018 -3.506 -8.834 1.00 0.00 C ATOM 1145 CD GLU A 74 -2.435 -2.144 -8.260 1.00 0.00 C ATOM 1146 OE1 GLU A 74 -1.556 -1.316 -7.931 1.00 0.00 O ATOM 1147 OE2 GLU A 74 -3.650 -1.881 -8.142 1.00 0.00 O ATOM 0 H GLU A 74 0.259 -1.813 -7.694 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.177 -4.414 -7.154 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.172 -2.784 -9.685 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.393 -4.516 -9.831 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.585 -3.683 -9.748 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.307 -4.282 -8.125 1.00 0.00 H new ATOM 1154 N ALA A 75 2.629 -4.243 -8.895 1.00 0.00 N ATOM 1155 CA ALA A 75 3.856 -4.949 -9.254 1.00 0.00 C ATOM 1156 C ALA A 75 4.481 -5.720 -8.078 1.00 0.00 C ATOM 1157 O ALA A 75 4.827 -6.892 -8.224 1.00 0.00 O ATOM 1158 CB ALA A 75 4.849 -3.923 -9.799 1.00 0.00 C ATOM 0 H ALA A 75 2.639 -3.261 -9.169 1.00 0.00 H new ATOM 0 HA ALA A 75 3.608 -5.700 -10.004 1.00 0.00 H new ATOM 0 HB1 ALA A 75 5.776 -4.425 -10.075 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.424 -3.436 -10.677 1.00 0.00 H new ATOM 0 HB3 ALA A 75 5.056 -3.175 -9.034 1.00 0.00 H new ATOM 1164 N LEU A 76 4.653 -5.071 -6.923 1.00 0.00 N ATOM 1165 CA LEU A 76 5.229 -5.686 -5.724 1.00 0.00 C ATOM 1166 C LEU A 76 4.166 -6.416 -4.911 1.00 0.00 C ATOM 1167 O LEU A 76 4.499 -7.308 -4.134 1.00 0.00 O ATOM 1168 CB LEU A 76 5.885 -4.613 -4.834 1.00 0.00 C ATOM 1169 CG LEU A 76 7.324 -4.892 -4.378 1.00 0.00 C ATOM 1170 CD1 LEU A 76 7.414 -6.133 -3.497 1.00 0.00 C ATOM 1171 CD2 LEU A 76 8.276 -5.054 -5.564 1.00 0.00 C ATOM 0 H LEU A 76 4.393 -4.093 -6.793 1.00 0.00 H new ATOM 0 HA LEU A 76 5.979 -6.405 -6.054 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.875 -3.667 -5.376 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.265 -4.479 -3.947 1.00 0.00 H new ATOM 0 HG LEU A 76 7.626 -4.022 -3.795 1.00 0.00 H new ATOM 0 HD11 LEU A 76 8.450 -6.292 -3.198 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.797 -5.994 -2.609 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.060 -7.001 -4.053 1.00 0.00 H new ATOM 0 HD21 LEU A 76 9.284 -5.250 -5.198 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.947 -5.888 -6.184 1.00 0.00 H new ATOM 0 HD23 LEU A 76 8.277 -4.140 -6.157 1.00 0.00 H new ATOM 1183 N VAL A 77 2.894 -6.060 -5.084 1.00 0.00 N ATOM 1184 CA VAL A 77 1.783 -6.792 -4.508 1.00 0.00 C ATOM 1185 C VAL A 77 1.864 -8.248 -4.992 1.00 0.00 C ATOM 1186 O VAL A 77 1.741 -9.174 -4.192 1.00 0.00 O ATOM 1187 CB VAL A 77 0.464 -6.026 -4.783 1.00 0.00 C ATOM 1188 CG1 VAL A 77 -0.607 -6.789 -5.571 1.00 0.00 C ATOM 1189 CG2 VAL A 77 -0.107 -5.482 -3.466 1.00 0.00 C ATOM 0 H VAL A 77 2.611 -5.248 -5.633 1.00 0.00 H new ATOM 0 HA VAL A 77 1.822 -6.855 -3.421 1.00 0.00 H new ATOM 0 HB VAL A 77 0.745 -5.211 -5.450 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.483 -6.154 -5.702 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.211 -7.067 -6.548 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.889 -7.689 -5.024 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.034 -4.945 -3.666 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.307 -6.310 -2.786 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.614 -4.804 -3.009 1.00 0.00 H new ATOM 1199 N GLU A 78 2.204 -8.467 -6.266 1.00 0.00 N ATOM 1200 CA GLU A 78 2.434 -9.803 -6.805 1.00 0.00 C ATOM 1201 C GLU A 78 3.554 -10.560 -6.051 1.00 0.00 C ATOM 1202 O GLU A 78 3.482 -11.788 -5.939 1.00 0.00 O ATOM 1203 CB GLU A 78 2.697 -9.666 -8.315 1.00 0.00 C ATOM 1204 CG GLU A 78 2.475 -10.958 -9.117 1.00 0.00 C ATOM 1205 CD GLU A 78 3.563 -12.016 -8.932 1.00 0.00 C ATOM 1206 OE1 GLU A 78 4.767 -11.676 -8.909 1.00 0.00 O ATOM 1207 OE2 GLU A 78 3.206 -13.216 -8.830 1.00 0.00 O ATOM 0 H GLU A 78 2.327 -7.720 -6.950 1.00 0.00 H new ATOM 0 HA GLU A 78 1.549 -10.422 -6.655 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.047 -8.888 -8.716 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.724 -9.332 -8.464 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.516 -11.388 -8.830 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.407 -10.706 -10.175 1.00 0.00 H new ATOM 1214 N ALA A 79 4.546 -9.865 -5.476 1.00 0.00 N ATOM 1215 CA ALA A 79 5.584 -10.496 -4.665 1.00 0.00 C ATOM 1216 C ALA A 79 5.063 -10.836 -3.262 1.00 0.00 C ATOM 1217 O ALA A 79 5.234 -11.968 -2.808 1.00 0.00 O ATOM 1218 CB ALA A 79 6.840 -9.633 -4.563 1.00 0.00 C ATOM 0 H ALA A 79 4.647 -8.854 -5.563 1.00 0.00 H new ATOM 0 HA ALA A 79 5.856 -11.421 -5.173 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.583 -10.143 -3.951 1.00 0.00 H new ATOM 0 HB2 ALA A 79 7.246 -9.463 -5.560 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.588 -8.676 -4.106 1.00 0.00 H new ATOM 1224 N ILE A 80 4.432 -9.893 -2.552 1.00 0.00 N ATOM 1225 CA ILE A 80 3.965 -10.161 -1.191 1.00 0.00 C ATOM 1226 C ILE A 80 2.947 -11.311 -1.159 1.00 0.00 C ATOM 1227 O ILE A 80 3.042 -12.168 -0.284 1.00 0.00 O ATOM 1228 CB ILE A 80 3.518 -8.863 -0.484 1.00 0.00 C ATOM 1229 CG1 ILE A 80 2.149 -8.312 -0.954 1.00 0.00 C ATOM 1230 CG2 ILE A 80 4.678 -7.857 -0.578 1.00 0.00 C ATOM 1231 CD1 ILE A 80 1.856 -6.883 -0.481 1.00 0.00 C ATOM 0 H ILE A 80 4.236 -8.952 -2.893 1.00 0.00 H new ATOM 0 HA ILE A 80 4.802 -10.525 -0.595 1.00 0.00 H new ATOM 0 HB ILE A 80 3.314 -9.079 0.565 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.113 -8.338 -2.043 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.360 -8.972 -0.593 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.393 -6.927 -0.087 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.559 -8.271 -0.088 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.904 -7.659 -1.626 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.880 -6.570 -0.851 1.00 0.00 H new ATOM 0 HD12 ILE A 80 1.858 -6.853 0.609 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.622 -6.209 -0.864 1.00 0.00 H new ATOM 1243 N LYS A 81 2.054 -11.434 -2.152 1.00 0.00 N ATOM 1244 CA LYS A 81 1.188 -12.620 -2.219 1.00 0.00 C ATOM 1245 C LYS A 81 1.962 -13.921 -2.450 1.00 0.00 C ATOM 1246 O LYS A 81 1.571 -14.944 -1.882 1.00 0.00 O ATOM 1247 CB LYS A 81 0.020 -12.461 -3.209 1.00 0.00 C ATOM 1248 CG LYS A 81 0.364 -11.845 -4.574 1.00 0.00 C ATOM 1249 CD LYS A 81 -0.254 -12.529 -5.799 1.00 0.00 C ATOM 1250 CE LYS A 81 0.340 -13.911 -6.077 1.00 0.00 C ATOM 1251 NZ LYS A 81 1.731 -13.866 -6.576 1.00 0.00 N ATOM 0 H LYS A 81 1.914 -10.751 -2.897 1.00 0.00 H new ATOM 0 HA LYS A 81 0.743 -12.700 -1.227 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -0.421 -13.443 -3.378 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -0.746 -11.844 -2.739 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.049 -10.802 -4.569 1.00 0.00 H new ATOM 0 HG3 LYS A 81 1.448 -11.850 -4.689 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -1.329 -12.625 -5.650 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.109 -11.895 -6.674 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.310 -14.501 -5.161 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -0.283 -14.425 -6.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.089 -14.835 -6.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 1.756 -13.373 -7.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 2.329 -13.358 -5.893 1.00 0.00 H new ATOM 1265 N LYS A 82 3.042 -13.938 -3.250 1.00 0.00 N ATOM 1266 CA LYS A 82 3.791 -15.191 -3.458 1.00 0.00 C ATOM 1267 C LYS A 82 4.730 -15.520 -2.308 1.00 0.00 C ATOM 1268 O LYS A 82 5.062 -16.693 -2.160 1.00 0.00 O ATOM 1269 CB LYS A 82 4.493 -15.281 -4.820 1.00 0.00 C ATOM 1270 CG LYS A 82 5.630 -14.295 -5.071 1.00 0.00 C ATOM 1271 CD LYS A 82 7.002 -14.731 -4.549 1.00 0.00 C ATOM 1272 CE LYS A 82 8.073 -13.764 -5.064 1.00 0.00 C ATOM 1273 NZ LYS A 82 9.405 -14.398 -5.103 1.00 0.00 N ATOM 0 H LYS A 82 3.408 -13.127 -3.749 1.00 0.00 H new ATOM 0 HA LYS A 82 3.026 -15.967 -3.471 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.887 -16.291 -4.934 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.743 -15.142 -5.599 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.707 -14.120 -6.144 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.371 -13.342 -4.610 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.001 -14.744 -3.459 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.223 -15.746 -4.879 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.804 -13.421 -6.063 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.107 -12.883 -4.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.105 -13.714 -5.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.672 -14.703 -4.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 9.378 -15.224 -5.735 1.00 0.00 H new ATOM 1287 N ARG A 83 5.126 -14.539 -1.498 1.00 0.00 N ATOM 1288 CA ARG A 83 5.847 -14.702 -0.228 1.00 0.00 C ATOM 1289 C ARG A 83 6.068 -13.334 0.404 1.00 0.00 C ATOM 1290 O ARG A 83 5.454 -13.044 1.423 1.00 0.00 O ATOM 1291 CB ARG A 83 7.208 -15.434 -0.388 1.00 0.00 C ATOM 1292 CG ARG A 83 7.183 -16.934 -0.028 1.00 0.00 C ATOM 1293 CD ARG A 83 7.789 -17.225 1.349 1.00 0.00 C ATOM 1294 NE ARG A 83 6.989 -16.615 2.418 1.00 0.00 N ATOM 1295 CZ ARG A 83 7.408 -15.895 3.461 1.00 0.00 C ATOM 1296 NH1 ARG A 83 8.702 -15.734 3.725 1.00 0.00 N ATOM 1297 NH2 ARG A 83 6.484 -15.353 4.235 1.00 0.00 N ATOM 0 H ARG A 83 4.946 -13.559 -1.717 1.00 0.00 H new ATOM 0 HA ARG A 83 5.229 -15.329 0.415 1.00 0.00 H new ATOM 0 HB2 ARG A 83 7.542 -15.328 -1.420 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.948 -14.937 0.239 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.153 -17.291 -0.049 1.00 0.00 H new ATOM 0 HG3 ARG A 83 7.730 -17.494 -0.786 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.847 -18.302 1.504 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.809 -16.842 1.390 1.00 0.00 H new ATOM 0 HE ARG A 83 5.981 -16.760 2.356 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.403 -16.166 3.123 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.993 -15.178 4.529 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.496 -15.493 4.024 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.759 -14.795 5.043 1.00 0.00 H new