USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 801 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 GLN : amide:sc= -3.23 K(o=-6.7,f=-1.8) USER MOD Set 1.2: A 63 ASN : amide:sc= -3.48 K(o=-6.7,f=-1.8) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 10 ASN : amide:sc= -5.61! C(o=-5.6!,f=-5.6!) USER MOD Single : A 11 THR OG1 : rot 171:sc= -6.96! USER MOD Single : A 14 HIS : no HD1:sc= -7.84! C(o=-7.8!,f=-18!) USER MOD Single : A 16 LYS NZ :NH3+ 150:sc= -0.0491 (180deg=-0.157) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0561 USER MOD Single : A 43 TYR OH : rot -140:sc= -1.05 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.556 K(o=-0.56,f=-2.1!) USER MOD Single : A 58 THR OG1 : rot -68:sc= 1.1 USER MOD Single : A 64 GLN : amide:sc= -11.1! C(o=-11!,f=-22!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 98:sc= 0.175 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot -150:sc= 0.0224 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 55 N GLN A 5 3.390 30.908 -9.519 1.00 0.00 N ATOM 56 CA GLN A 5 2.119 31.336 -10.171 1.00 0.00 C ATOM 57 C GLN A 5 1.372 32.305 -9.244 1.00 0.00 C ATOM 58 O GLN A 5 1.969 32.939 -8.396 1.00 0.00 O ATOM 59 CB GLN A 5 1.329 30.040 -10.377 1.00 0.00 C ATOM 60 CG GLN A 5 1.627 29.474 -11.769 1.00 0.00 C ATOM 61 CD GLN A 5 1.745 27.949 -11.689 1.00 0.00 C ATOM 62 OE1 GLN A 5 2.601 27.432 -11.000 1.00 0.00 O ATOM 63 NE2 GLN A 5 0.917 27.201 -12.370 1.00 0.00 N ATOM 0 HA GLN A 5 2.275 31.858 -11.115 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.599 29.312 -9.612 1.00 0.00 H new ATOM 0 HB3 GLN A 5 0.261 30.232 -10.272 1.00 0.00 H new ATOM 0 HG2 GLN A 5 0.834 29.752 -12.463 1.00 0.00 H new ATOM 0 HG3 GLN A 5 2.552 29.901 -12.156 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.197 27.634 -12.949 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.990 26.185 -12.322 1.00 0.00 H new ATOM 72 N VAL A 6 0.080 32.435 -9.389 1.00 0.00 N ATOM 73 CA VAL A 6 -0.667 33.375 -8.502 1.00 0.00 C ATOM 74 C VAL A 6 -2.056 32.821 -8.165 1.00 0.00 C ATOM 75 O VAL A 6 -3.034 33.171 -8.792 1.00 0.00 O ATOM 76 CB VAL A 6 -0.786 34.667 -9.308 1.00 0.00 C ATOM 77 CG1 VAL A 6 0.580 35.346 -9.379 1.00 0.00 C ATOM 78 CG2 VAL A 6 -1.269 34.346 -10.724 1.00 0.00 C ATOM 0 H VAL A 6 -0.486 31.937 -10.076 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.157 33.528 -7.551 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.501 35.332 -8.824 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.498 36.269 -9.954 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.925 35.576 -8.371 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.293 34.679 -9.863 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.353 35.269 -11.298 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.555 33.681 -11.210 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.243 33.859 -10.675 1.00 0.00 H new ATOM 88 N VAL A 7 -2.132 31.966 -7.172 1.00 0.00 N ATOM 89 CA VAL A 7 -3.441 31.360 -6.751 1.00 0.00 C ATOM 90 C VAL A 7 -4.436 31.298 -7.914 1.00 0.00 C ATOM 91 O VAL A 7 -5.090 32.270 -8.237 1.00 0.00 O ATOM 92 CB VAL A 7 -3.987 32.264 -5.641 1.00 0.00 C ATOM 93 CG1 VAL A 7 -4.938 31.451 -4.759 1.00 0.00 C ATOM 94 CG2 VAL A 7 -2.836 32.798 -4.782 1.00 0.00 C ATOM 0 H VAL A 7 -1.329 31.656 -6.625 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.296 30.334 -6.412 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.516 33.105 -6.090 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.332 32.087 -3.966 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.762 31.074 -5.364 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.398 30.613 -4.318 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.235 33.439 -3.996 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.300 31.963 -4.331 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.152 33.373 -5.407 1.00 0.00 H new ATOM 104 N LEU A 8 -4.565 30.162 -8.540 1.00 0.00 N ATOM 105 CA LEU A 8 -5.525 30.040 -9.676 1.00 0.00 C ATOM 106 C LEU A 8 -6.952 30.314 -9.191 1.00 0.00 C ATOM 107 O LEU A 8 -7.202 30.378 -8.004 1.00 0.00 O ATOM 108 CB LEU A 8 -5.392 28.592 -10.147 1.00 0.00 C ATOM 109 CG LEU A 8 -4.609 28.542 -11.459 1.00 0.00 C ATOM 110 CD1 LEU A 8 -3.322 29.356 -11.321 1.00 0.00 C ATOM 111 CD2 LEU A 8 -4.254 27.090 -11.779 1.00 0.00 C ATOM 0 H LEU A 8 -4.048 29.312 -8.315 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.316 30.752 -10.474 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.884 27.998 -9.387 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.380 28.153 -10.286 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.218 28.959 -12.261 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.766 29.319 -12.258 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.570 30.391 -11.087 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.712 28.939 -10.520 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.695 27.050 -12.714 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.645 26.679 -10.974 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.168 26.505 -11.877 1.00 0.00 H new ATOM 123 N PRO A 9 -7.844 30.461 -10.132 1.00 0.00 N ATOM 124 CA PRO A 9 -9.265 30.724 -9.799 1.00 0.00 C ATOM 125 C PRO A 9 -9.926 29.459 -9.241 1.00 0.00 C ATOM 126 O PRO A 9 -10.426 29.443 -8.134 1.00 0.00 O ATOM 127 CB PRO A 9 -9.881 31.117 -11.140 1.00 0.00 C ATOM 128 CG PRO A 9 -9.002 30.483 -12.171 1.00 0.00 C ATOM 129 CD PRO A 9 -7.617 30.396 -11.581 1.00 0.00 C ATOM 0 HA PRO A 9 -9.392 31.493 -9.037 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.907 30.759 -11.223 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.910 32.200 -11.259 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.371 29.492 -12.435 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -8.994 31.074 -13.087 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.119 29.469 -11.866 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -6.985 31.215 -11.923 1.00 0.00 H new ATOM 137 N ASN A 10 -9.925 28.396 -9.999 1.00 0.00 N ATOM 138 CA ASN A 10 -10.546 27.128 -9.519 1.00 0.00 C ATOM 139 C ASN A 10 -10.038 25.952 -10.357 1.00 0.00 C ATOM 140 O ASN A 10 -10.736 24.982 -10.573 1.00 0.00 O ATOM 141 CB ASN A 10 -12.050 27.317 -9.723 1.00 0.00 C ATOM 142 CG ASN A 10 -12.629 28.126 -8.560 1.00 0.00 C ATOM 143 OD1 ASN A 10 -12.704 29.336 -8.626 1.00 0.00 O ATOM 144 ND2 ASN A 10 -13.046 27.503 -7.491 1.00 0.00 N ATOM 0 H ASN A 10 -9.519 28.351 -10.934 1.00 0.00 H new ATOM 0 HA ASN A 10 -10.302 26.915 -8.478 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -12.237 27.831 -10.666 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -12.543 26.347 -9.785 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -13.435 28.033 -6.711 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -12.983 26.486 -7.436 1.00 0.00 H new ATOM 151 N THR A 11 -8.829 26.039 -10.841 1.00 0.00 N ATOM 152 CA THR A 11 -8.273 24.933 -11.678 1.00 0.00 C ATOM 153 C THR A 11 -7.170 24.194 -10.914 1.00 0.00 C ATOM 154 O THR A 11 -6.758 24.608 -9.849 1.00 0.00 O ATOM 155 CB THR A 11 -7.694 25.605 -12.931 1.00 0.00 C ATOM 156 OG1 THR A 11 -6.335 25.935 -12.699 1.00 0.00 O ATOM 157 CG2 THR A 11 -8.475 26.878 -13.273 1.00 0.00 C ATOM 0 H THR A 11 -8.200 26.828 -10.694 1.00 0.00 H new ATOM 0 HA THR A 11 -9.038 24.200 -11.934 1.00 0.00 H new ATOM 0 HB THR A 11 -7.773 24.912 -13.769 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.922 26.229 -13.538 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.048 27.338 -14.164 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.519 26.625 -13.460 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.414 27.577 -12.439 1.00 0.00 H new ATOM 165 N ALA A 12 -6.691 23.100 -11.447 1.00 0.00 N ATOM 166 CA ALA A 12 -5.616 22.341 -10.740 1.00 0.00 C ATOM 167 C ALA A 12 -4.638 21.729 -11.744 1.00 0.00 C ATOM 168 O ALA A 12 -4.939 21.579 -12.910 1.00 0.00 O ATOM 169 CB ALA A 12 -6.344 21.234 -9.979 1.00 0.00 C ATOM 0 H ALA A 12 -6.995 22.701 -12.335 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.035 22.985 -10.080 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.619 20.631 -9.432 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.049 21.678 -9.277 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.884 20.602 -10.684 1.00 0.00 H new ATOM 175 N LEU A 13 -3.467 21.366 -11.295 1.00 0.00 N ATOM 176 CA LEU A 13 -2.473 20.753 -12.222 1.00 0.00 C ATOM 177 C LEU A 13 -1.854 19.505 -11.574 1.00 0.00 C ATOM 178 O LEU A 13 -1.821 19.373 -10.366 1.00 0.00 O ATOM 179 CB LEU A 13 -1.437 21.866 -12.491 1.00 0.00 C ATOM 180 CG LEU A 13 -0.102 21.585 -11.786 1.00 0.00 C ATOM 181 CD1 LEU A 13 0.986 22.480 -12.381 1.00 0.00 C ATOM 182 CD2 LEU A 13 -0.238 21.884 -10.291 1.00 0.00 C ATOM 0 H LEU A 13 -3.156 21.467 -10.329 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.912 20.409 -13.159 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.270 21.955 -13.564 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.834 22.822 -12.150 1.00 0.00 H new ATOM 0 HG LEU A 13 0.166 20.538 -11.926 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.934 22.281 -11.881 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.087 22.271 -13.446 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.714 23.526 -12.240 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.710 21.684 -9.792 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.507 22.931 -10.152 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.014 21.250 -9.862 1.00 0.00 H new ATOM 194 N HIS A 14 -1.364 18.592 -12.368 1.00 0.00 N ATOM 195 CA HIS A 14 -0.748 17.360 -11.795 1.00 0.00 C ATOM 196 C HIS A 14 0.774 17.519 -11.738 1.00 0.00 C ATOM 197 O HIS A 14 1.397 17.947 -12.689 1.00 0.00 O ATOM 198 CB HIS A 14 -1.133 16.224 -12.749 1.00 0.00 C ATOM 199 CG HIS A 14 -2.616 16.240 -13.008 1.00 0.00 C ATOM 200 ND1 HIS A 14 -3.235 17.230 -13.760 1.00 0.00 N ATOM 201 CD2 HIS A 14 -3.616 15.381 -12.629 1.00 0.00 C ATOM 202 CE1 HIS A 14 -4.548 16.943 -13.804 1.00 0.00 C ATOM 203 NE2 HIS A 14 -4.834 15.827 -13.133 1.00 0.00 N ATOM 0 H HIS A 14 -1.363 18.645 -13.387 1.00 0.00 H new ATOM 0 HA HIS A 14 -1.093 17.163 -10.780 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -0.592 16.330 -13.689 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -0.842 15.265 -12.320 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -3.479 14.493 -12.030 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -5.282 17.544 -14.320 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -5.749 15.393 -13.014 1.00 0.00 H new ATOM 211 N LEU A 15 1.375 17.180 -10.629 1.00 0.00 N ATOM 212 CA LEU A 15 2.857 17.313 -10.509 1.00 0.00 C ATOM 213 C LEU A 15 3.494 15.958 -10.221 1.00 0.00 C ATOM 214 O LEU A 15 2.895 15.099 -9.605 1.00 0.00 O ATOM 215 CB LEU A 15 3.095 18.222 -9.308 1.00 0.00 C ATOM 216 CG LEU A 15 2.486 19.597 -9.547 1.00 0.00 C ATOM 217 CD1 LEU A 15 2.835 20.082 -10.955 1.00 0.00 C ATOM 218 CD2 LEU A 15 0.968 19.509 -9.395 1.00 0.00 C ATOM 0 H LEU A 15 0.904 16.817 -9.800 1.00 0.00 H new ATOM 0 HA LEU A 15 3.288 17.705 -11.430 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.658 17.775 -8.415 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.165 18.319 -9.125 1.00 0.00 H new ATOM 0 HG LEU A 15 2.886 20.302 -8.819 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.396 21.066 -11.120 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.918 20.145 -11.060 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.439 19.381 -11.690 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.528 20.491 -9.565 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.570 18.802 -10.123 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.722 19.171 -8.388 1.00 0.00 H new ATOM 230 N LYS A 16 4.715 15.772 -10.626 1.00 0.00 N ATOM 231 CA LYS A 16 5.389 14.484 -10.329 1.00 0.00 C ATOM 232 C LYS A 16 6.585 14.738 -9.411 1.00 0.00 C ATOM 233 O LYS A 16 7.519 15.425 -9.776 1.00 0.00 O ATOM 234 CB LYS A 16 5.858 13.939 -11.672 1.00 0.00 C ATOM 235 CG LYS A 16 5.258 12.550 -11.891 1.00 0.00 C ATOM 236 CD LYS A 16 5.558 12.082 -13.317 1.00 0.00 C ATOM 237 CE LYS A 16 7.052 12.249 -13.607 1.00 0.00 C ATOM 238 NZ LYS A 16 7.133 13.391 -14.558 1.00 0.00 N ATOM 0 H LYS A 16 5.272 16.450 -11.146 1.00 0.00 H new ATOM 0 HA LYS A 16 4.726 13.779 -9.827 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.554 14.610 -12.476 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.946 13.885 -11.696 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.674 11.845 -11.171 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.181 12.577 -11.725 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.268 11.038 -13.437 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.971 12.660 -14.031 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.611 12.455 -12.694 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.474 11.343 -14.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.035 13.890 -14.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.075 13.035 -15.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.345 14.046 -14.381 1.00 0.00 H new ATOM 252 N ALA A 17 6.571 14.196 -8.226 1.00 0.00 N ATOM 253 CA ALA A 17 7.717 14.423 -7.303 1.00 0.00 C ATOM 254 C ALA A 17 8.845 13.449 -7.633 1.00 0.00 C ATOM 255 O ALA A 17 8.688 12.243 -7.563 1.00 0.00 O ATOM 256 CB ALA A 17 7.175 14.172 -5.897 1.00 0.00 C ATOM 0 H ALA A 17 5.822 13.610 -7.858 1.00 0.00 H new ATOM 0 HA ALA A 17 8.124 15.430 -7.392 1.00 0.00 H new ATOM 0 HB1 ALA A 17 7.971 14.323 -5.168 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.359 14.865 -5.692 1.00 0.00 H new ATOM 0 HB3 ALA A 17 6.807 13.148 -5.826 1.00 0.00 H new ATOM 262 N LEU A 18 9.978 13.973 -8.006 1.00 0.00 N ATOM 263 CA LEU A 18 11.131 13.098 -8.358 1.00 0.00 C ATOM 264 C LEU A 18 12.207 13.174 -7.269 1.00 0.00 C ATOM 265 O LEU A 18 12.975 14.114 -7.207 1.00 0.00 O ATOM 266 CB LEU A 18 11.660 13.665 -9.675 1.00 0.00 C ATOM 267 CG LEU A 18 11.248 12.754 -10.834 1.00 0.00 C ATOM 268 CD1 LEU A 18 12.072 11.464 -10.791 1.00 0.00 C ATOM 269 CD2 LEU A 18 9.761 12.413 -10.712 1.00 0.00 C ATOM 0 H LEU A 18 10.156 14.974 -8.083 1.00 0.00 H new ATOM 0 HA LEU A 18 10.846 12.050 -8.446 1.00 0.00 H new ATOM 0 HB2 LEU A 18 11.268 14.670 -9.833 1.00 0.00 H new ATOM 0 HB3 LEU A 18 12.746 13.750 -9.635 1.00 0.00 H new ATOM 0 HG LEU A 18 11.427 13.267 -11.779 1.00 0.00 H new ATOM 0 HD11 LEU A 18 11.777 10.816 -11.617 1.00 0.00 H new ATOM 0 HD12 LEU A 18 13.131 11.706 -10.879 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.895 10.950 -9.846 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.468 11.764 -11.537 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.581 11.901 -9.767 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.173 13.330 -10.745 1.00 0.00 H new ATOM 281 N LEU A 19 12.276 12.188 -6.413 1.00 0.00 N ATOM 282 CA LEU A 19 13.309 12.203 -5.336 1.00 0.00 C ATOM 283 C LEU A 19 13.443 10.813 -4.708 1.00 0.00 C ATOM 284 O LEU A 19 12.702 9.906 -5.018 1.00 0.00 O ATOM 285 CB LEU A 19 12.834 13.234 -4.295 1.00 0.00 C ATOM 286 CG LEU A 19 11.337 13.073 -3.979 1.00 0.00 C ATOM 287 CD1 LEU A 19 10.502 13.658 -5.117 1.00 0.00 C ATOM 288 CD2 LEU A 19 10.990 11.594 -3.798 1.00 0.00 C ATOM 0 H LEU A 19 11.662 11.374 -6.413 1.00 0.00 H new ATOM 0 HA LEU A 19 14.291 12.470 -5.728 1.00 0.00 H new ATOM 0 HB2 LEU A 19 13.414 13.120 -3.379 1.00 0.00 H new ATOM 0 HB3 LEU A 19 13.021 14.241 -4.668 1.00 0.00 H new ATOM 0 HG LEU A 19 11.115 13.606 -3.054 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.443 13.541 -4.888 1.00 0.00 H new ATOM 0 HD12 LEU A 19 10.734 14.717 -5.231 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.733 13.134 -6.044 1.00 0.00 H new ATOM 0 HD21 LEU A 19 9.928 11.494 -3.575 1.00 0.00 H new ATOM 0 HD22 LEU A 19 11.221 11.051 -4.715 1.00 0.00 H new ATOM 0 HD23 LEU A 19 11.574 11.181 -2.975 1.00 0.00 H new ATOM 300 N ASP A 20 14.377 10.643 -3.822 1.00 0.00 N ATOM 301 CA ASP A 20 14.550 9.316 -3.167 1.00 0.00 C ATOM 302 C ASP A 20 14.067 9.385 -1.718 1.00 0.00 C ATOM 303 O ASP A 20 14.599 10.121 -0.911 1.00 0.00 O ATOM 304 CB ASP A 20 16.053 9.038 -3.223 1.00 0.00 C ATOM 305 CG ASP A 20 16.373 8.206 -4.467 1.00 0.00 C ATOM 306 OD1 ASP A 20 16.062 8.660 -5.555 1.00 0.00 O ATOM 307 OD2 ASP A 20 16.921 7.127 -4.308 1.00 0.00 O ATOM 0 H ASP A 20 15.031 11.365 -3.520 1.00 0.00 H new ATOM 0 HA ASP A 20 13.976 8.530 -3.658 1.00 0.00 H new ATOM 0 HB2 ASP A 20 16.606 9.977 -3.248 1.00 0.00 H new ATOM 0 HB3 ASP A 20 16.369 8.506 -2.326 1.00 0.00 H new ATOM 312 N PHE A 21 13.056 8.630 -1.380 1.00 0.00 N ATOM 313 CA PHE A 21 12.541 8.664 0.020 1.00 0.00 C ATOM 314 C PHE A 21 12.515 7.258 0.617 1.00 0.00 C ATOM 315 O PHE A 21 11.557 6.528 0.455 1.00 0.00 O ATOM 316 CB PHE A 21 11.120 9.212 -0.090 1.00 0.00 C ATOM 317 CG PHE A 21 10.905 10.261 0.973 1.00 0.00 C ATOM 318 CD1 PHE A 21 11.215 11.598 0.702 1.00 0.00 C ATOM 319 CD2 PHE A 21 10.401 9.899 2.227 1.00 0.00 C ATOM 320 CE1 PHE A 21 11.020 12.575 1.683 1.00 0.00 C ATOM 321 CE2 PHE A 21 10.206 10.878 3.211 1.00 0.00 C ATOM 322 CZ PHE A 21 10.516 12.216 2.938 1.00 0.00 C ATOM 0 H PHE A 21 12.566 7.994 -2.009 1.00 0.00 H new ATOM 0 HA PHE A 21 13.171 9.274 0.667 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.960 9.642 -1.079 1.00 0.00 H new ATOM 0 HB3 PHE A 21 10.397 8.405 0.028 1.00 0.00 H new ATOM 0 HD1 PHE A 21 11.605 11.876 -0.266 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.163 8.867 2.437 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.258 13.607 1.472 1.00 0.00 H new ATOM 0 HE2 PHE A 21 9.817 10.600 4.179 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.366 12.971 3.696 1.00 0.00 H new ATOM 434 N VAL A 29 9.644 6.152 -1.605 1.00 0.00 N ATOM 435 CA VAL A 29 9.339 6.542 -3.012 1.00 0.00 C ATOM 436 C VAL A 29 10.652 6.689 -3.788 1.00 0.00 C ATOM 437 O VAL A 29 11.669 7.060 -3.236 1.00 0.00 O ATOM 438 CB VAL A 29 8.571 7.874 -2.933 1.00 0.00 C ATOM 439 CG1 VAL A 29 7.636 7.862 -1.721 1.00 0.00 C ATOM 440 CG2 VAL A 29 9.544 9.049 -2.808 1.00 0.00 C ATOM 0 HA VAL A 29 8.739 5.796 -3.533 1.00 0.00 H new ATOM 0 HB VAL A 29 7.989 7.991 -3.847 1.00 0.00 H new ATOM 0 HG11 VAL A 29 7.095 8.807 -1.670 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.925 7.041 -1.818 1.00 0.00 H new ATOM 0 HG13 VAL A 29 8.221 7.729 -0.811 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.983 9.982 -2.753 1.00 0.00 H new ATOM 0 HG22 VAL A 29 10.142 8.932 -1.904 1.00 0.00 H new ATOM 0 HG23 VAL A 29 10.201 9.071 -3.677 1.00 0.00 H new ATOM 450 N VAL A 30 10.653 6.378 -5.054 1.00 0.00 N ATOM 451 CA VAL A 30 11.917 6.484 -5.835 1.00 0.00 C ATOM 452 C VAL A 30 11.692 7.245 -7.143 1.00 0.00 C ATOM 453 O VAL A 30 11.514 6.661 -8.193 1.00 0.00 O ATOM 454 CB VAL A 30 12.313 5.039 -6.116 1.00 0.00 C ATOM 455 CG1 VAL A 30 12.766 4.378 -4.814 1.00 0.00 C ATOM 456 CG2 VAL A 30 11.106 4.281 -6.673 1.00 0.00 C ATOM 0 H VAL A 30 9.839 6.057 -5.579 1.00 0.00 H new ATOM 0 HA VAL A 30 12.689 7.031 -5.295 1.00 0.00 H new ATOM 0 HB VAL A 30 13.126 5.017 -6.842 1.00 0.00 H new ATOM 0 HG11 VAL A 30 13.050 3.344 -5.010 1.00 0.00 H new ATOM 0 HG12 VAL A 30 13.622 4.919 -4.410 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.950 4.399 -4.092 1.00 0.00 H new ATOM 0 HG21 VAL A 30 11.387 3.247 -6.875 1.00 0.00 H new ATOM 0 HG22 VAL A 30 10.296 4.301 -5.944 1.00 0.00 H new ATOM 0 HG23 VAL A 30 10.774 4.754 -7.597 1.00 0.00 H new ATOM 466 N ALA A 31 11.713 8.544 -7.085 1.00 0.00 N ATOM 467 CA ALA A 31 11.515 9.354 -8.319 1.00 0.00 C ATOM 468 C ALA A 31 10.312 8.840 -9.110 1.00 0.00 C ATOM 469 O ALA A 31 10.456 8.278 -10.178 1.00 0.00 O ATOM 470 CB ALA A 31 12.803 9.167 -9.124 1.00 0.00 C ATOM 0 H ALA A 31 11.859 9.084 -6.232 1.00 0.00 H new ATOM 0 HA ALA A 31 11.319 10.402 -8.094 1.00 0.00 H new ATOM 0 HB1 ALA A 31 12.737 9.734 -10.052 1.00 0.00 H new ATOM 0 HB2 ALA A 31 13.652 9.523 -8.540 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.938 8.110 -9.353 1.00 0.00 H new ATOM 476 N GLY A 32 9.125 9.026 -8.601 1.00 0.00 N ATOM 477 CA GLY A 32 7.929 8.541 -9.342 1.00 0.00 C ATOM 478 C GLY A 32 6.641 8.960 -8.625 1.00 0.00 C ATOM 479 O GLY A 32 5.612 8.334 -8.781 1.00 0.00 O ATOM 0 H GLY A 32 8.933 9.489 -7.712 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.935 8.944 -10.355 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.965 7.455 -9.430 1.00 0.00 H new ATOM 483 N ASP A 33 6.674 10.011 -7.846 1.00 0.00 N ATOM 484 CA ASP A 33 5.426 10.438 -7.146 1.00 0.00 C ATOM 485 C ASP A 33 4.608 11.368 -8.043 1.00 0.00 C ATOM 486 O ASP A 33 5.152 12.170 -8.768 1.00 0.00 O ATOM 487 CB ASP A 33 5.895 11.191 -5.904 1.00 0.00 C ATOM 488 CG ASP A 33 4.684 11.790 -5.191 1.00 0.00 C ATOM 489 OD1 ASP A 33 4.125 11.112 -4.345 1.00 0.00 O ATOM 490 OD2 ASP A 33 4.329 12.914 -5.508 1.00 0.00 O ATOM 0 H ASP A 33 7.498 10.584 -7.666 1.00 0.00 H new ATOM 0 HA ASP A 33 4.792 9.588 -6.894 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.428 10.516 -5.235 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.593 11.979 -6.184 1.00 0.00 H new ATOM 495 N GLU A 34 3.306 11.267 -7.995 1.00 0.00 N ATOM 496 CA GLU A 34 2.447 12.150 -8.840 1.00 0.00 C ATOM 497 C GLU A 34 1.176 12.533 -8.069 1.00 0.00 C ATOM 498 O GLU A 34 0.545 11.699 -7.452 1.00 0.00 O ATOM 499 CB GLU A 34 2.098 11.300 -10.063 1.00 0.00 C ATOM 500 CG GLU A 34 1.740 12.214 -11.236 1.00 0.00 C ATOM 501 CD GLU A 34 1.947 11.464 -12.553 1.00 0.00 C ATOM 502 OE1 GLU A 34 1.561 10.309 -12.622 1.00 0.00 O ATOM 503 OE2 GLU A 34 2.487 12.058 -13.472 1.00 0.00 O ATOM 0 H GLU A 34 2.798 10.608 -7.405 1.00 0.00 H new ATOM 0 HA GLU A 34 2.945 13.079 -9.118 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.942 10.663 -10.329 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.261 10.641 -9.834 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.704 12.542 -11.152 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.361 13.110 -11.215 1.00 0.00 H new ATOM 510 N TRP A 35 0.795 13.787 -8.092 1.00 0.00 N ATOM 511 CA TRP A 35 -0.436 14.197 -7.347 1.00 0.00 C ATOM 512 C TRP A 35 -1.122 15.392 -8.022 1.00 0.00 C ATOM 513 O TRP A 35 -0.542 16.076 -8.841 1.00 0.00 O ATOM 514 CB TRP A 35 0.054 14.568 -5.943 1.00 0.00 C ATOM 515 CG TRP A 35 0.699 15.919 -5.958 1.00 0.00 C ATOM 516 CD1 TRP A 35 0.066 17.085 -5.694 1.00 0.00 C ATOM 517 CD2 TRP A 35 2.088 16.262 -6.235 1.00 0.00 C ATOM 518 NE1 TRP A 35 0.977 18.121 -5.794 1.00 0.00 N ATOM 519 CE2 TRP A 35 2.238 17.665 -6.125 1.00 0.00 C ATOM 520 CE3 TRP A 35 3.219 15.498 -6.567 1.00 0.00 C ATOM 521 CZ2 TRP A 35 3.471 18.289 -6.340 1.00 0.00 C ATOM 522 CZ3 TRP A 35 4.458 16.122 -6.783 1.00 0.00 C ATOM 523 CH2 TRP A 35 4.585 17.512 -6.670 1.00 0.00 C ATOM 0 H TRP A 35 1.277 14.537 -8.588 1.00 0.00 H new ATOM 0 HA TRP A 35 -1.179 13.399 -7.324 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -0.784 14.565 -5.246 1.00 0.00 H new ATOM 0 HB3 TRP A 35 0.766 13.822 -5.590 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -0.980 17.190 -5.446 1.00 0.00 H new ATOM 0 HE1 TRP A 35 0.746 19.103 -5.642 1.00 0.00 H new ATOM 0 HE3 TRP A 35 3.135 14.425 -6.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 3.562 19.362 -6.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 5.321 15.525 -7.039 1.00 0.00 H new ATOM 0 HH2 TRP A 35 5.542 17.983 -6.838 1.00 0.00 H new ATOM 534 N LEU A 36 -2.358 15.643 -7.672 1.00 0.00 N ATOM 535 CA LEU A 36 -3.100 16.789 -8.275 1.00 0.00 C ATOM 536 C LEU A 36 -2.979 18.021 -7.375 1.00 0.00 C ATOM 537 O LEU A 36 -2.813 17.910 -6.176 1.00 0.00 O ATOM 538 CB LEU A 36 -4.556 16.325 -8.349 1.00 0.00 C ATOM 539 CG LEU A 36 -5.392 17.372 -9.089 1.00 0.00 C ATOM 540 CD1 LEU A 36 -4.854 17.545 -10.510 1.00 0.00 C ATOM 541 CD2 LEU A 36 -6.851 16.911 -9.150 1.00 0.00 C ATOM 0 H LEU A 36 -2.887 15.099 -6.990 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.710 17.065 -9.255 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.617 15.366 -8.864 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.951 16.173 -7.345 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.332 18.323 -8.559 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.450 18.291 -11.036 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.816 17.874 -10.468 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.913 16.594 -11.040 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.446 17.657 -9.677 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.910 15.960 -9.679 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.236 16.788 -8.138 1.00 0.00 H new ATOM 553 N PHE A 37 -3.059 19.194 -7.937 1.00 0.00 N ATOM 554 CA PHE A 37 -2.945 20.424 -7.103 1.00 0.00 C ATOM 555 C PHE A 37 -4.055 21.414 -7.460 1.00 0.00 C ATOM 556 O PHE A 37 -4.055 22.000 -8.525 1.00 0.00 O ATOM 557 CB PHE A 37 -1.578 21.012 -7.456 1.00 0.00 C ATOM 558 CG PHE A 37 -1.078 21.870 -6.316 1.00 0.00 C ATOM 559 CD1 PHE A 37 -1.930 22.805 -5.716 1.00 0.00 C ATOM 560 CD2 PHE A 37 0.241 21.735 -5.864 1.00 0.00 C ATOM 561 CE1 PHE A 37 -1.464 23.603 -4.664 1.00 0.00 C ATOM 562 CE2 PHE A 37 0.705 22.533 -4.811 1.00 0.00 C ATOM 563 CZ PHE A 37 -0.146 23.467 -4.213 1.00 0.00 C ATOM 0 H PHE A 37 -3.198 19.355 -8.935 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.040 20.209 -6.039 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.868 20.210 -7.657 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.652 21.608 -8.366 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.947 22.911 -6.065 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.900 21.016 -6.328 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.122 24.324 -4.201 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.721 22.427 -4.461 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.214 24.084 -3.403 1.00 0.00 H new ATOM 573 N GLU A 38 -4.990 21.614 -6.567 1.00 0.00 N ATOM 574 CA GLU A 38 -6.096 22.580 -6.841 1.00 0.00 C ATOM 575 C GLU A 38 -5.651 23.989 -6.448 1.00 0.00 C ATOM 576 O GLU A 38 -5.007 24.182 -5.436 1.00 0.00 O ATOM 577 CB GLU A 38 -7.261 22.123 -5.959 1.00 0.00 C ATOM 578 CG GLU A 38 -8.397 23.148 -6.032 1.00 0.00 C ATOM 579 CD GLU A 38 -8.610 23.591 -7.483 1.00 0.00 C ATOM 580 OE1 GLU A 38 -8.412 22.776 -8.367 1.00 0.00 O ATOM 581 OE2 GLU A 38 -8.964 24.740 -7.685 1.00 0.00 O ATOM 0 H GLU A 38 -5.035 21.150 -5.660 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.376 22.604 -7.894 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.617 21.147 -6.288 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.926 22.010 -4.928 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.316 22.714 -5.637 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.159 24.011 -5.411 1.00 0.00 H new ATOM 588 N GLY A 39 -5.967 24.973 -7.241 1.00 0.00 N ATOM 589 CA GLY A 39 -5.530 26.353 -6.898 1.00 0.00 C ATOM 590 C GLY A 39 -4.012 26.348 -6.690 1.00 0.00 C ATOM 591 O GLY A 39 -3.518 26.909 -5.732 1.00 0.00 O ATOM 0 H GLY A 39 -6.504 24.883 -8.104 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.800 27.045 -7.696 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.034 26.696 -5.995 1.00 0.00 H new ATOM 595 N PRO A 40 -3.318 25.693 -7.591 1.00 0.00 N ATOM 596 CA PRO A 40 -1.839 25.599 -7.494 1.00 0.00 C ATOM 597 C PRO A 40 -1.179 26.942 -7.825 1.00 0.00 C ATOM 598 O PRO A 40 0.028 27.043 -7.877 1.00 0.00 O ATOM 599 CB PRO A 40 -1.478 24.549 -8.542 1.00 0.00 C ATOM 600 CG PRO A 40 -2.595 24.594 -9.532 1.00 0.00 C ATOM 601 CD PRO A 40 -3.835 24.991 -8.775 1.00 0.00 C ATOM 0 HA PRO A 40 -1.499 25.338 -6.492 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.522 24.775 -9.014 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.386 23.559 -8.094 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.380 25.311 -10.324 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.728 23.623 -10.009 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.478 25.637 -9.373 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.428 24.120 -8.496 1.00 0.00 H new ATOM 609 N GLY A 41 -1.955 27.969 -8.051 1.00 0.00 N ATOM 610 CA GLY A 41 -1.359 29.295 -8.375 1.00 0.00 C ATOM 611 C GLY A 41 -0.153 29.549 -7.467 1.00 0.00 C ATOM 612 O GLY A 41 0.773 30.248 -7.827 1.00 0.00 O ATOM 0 H GLY A 41 -2.974 27.946 -8.025 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.052 29.322 -9.421 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.101 30.082 -8.240 1.00 0.00 H new ATOM 616 N THR A 42 -0.151 28.978 -6.293 1.00 0.00 N ATOM 617 CA THR A 42 1.001 29.175 -5.369 1.00 0.00 C ATOM 618 C THR A 42 1.884 27.925 -5.376 1.00 0.00 C ATOM 619 O THR A 42 2.418 27.521 -4.363 1.00 0.00 O ATOM 620 CB THR A 42 0.377 29.393 -3.989 1.00 0.00 C ATOM 621 OG1 THR A 42 -0.658 28.442 -3.783 1.00 0.00 O ATOM 622 CG2 THR A 42 -0.202 30.807 -3.906 1.00 0.00 C ATOM 0 H THR A 42 -0.898 28.383 -5.934 1.00 0.00 H new ATOM 0 HA THR A 42 1.631 30.016 -5.658 1.00 0.00 H new ATOM 0 HB THR A 42 1.141 29.270 -3.221 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.057 28.580 -2.899 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.646 30.961 -2.923 1.00 0.00 H new ATOM 0 HG22 THR A 42 0.593 31.536 -4.063 1.00 0.00 H new ATOM 0 HG23 THR A 42 -0.966 30.933 -4.673 1.00 0.00 H new ATOM 630 N TYR A 43 2.035 27.312 -6.518 1.00 0.00 N ATOM 631 CA TYR A 43 2.877 26.085 -6.612 1.00 0.00 C ATOM 632 C TYR A 43 4.221 26.420 -7.267 1.00 0.00 C ATOM 633 O TYR A 43 4.278 26.837 -8.408 1.00 0.00 O ATOM 634 CB TYR A 43 2.064 25.123 -7.488 1.00 0.00 C ATOM 635 CG TYR A 43 2.974 24.084 -8.102 1.00 0.00 C ATOM 636 CD1 TYR A 43 3.751 23.258 -7.281 1.00 0.00 C ATOM 637 CD2 TYR A 43 3.042 23.950 -9.495 1.00 0.00 C ATOM 638 CE1 TYR A 43 4.594 22.298 -7.852 1.00 0.00 C ATOM 639 CE2 TYR A 43 3.884 22.989 -10.065 1.00 0.00 C ATOM 640 CZ TYR A 43 4.661 22.164 -9.244 1.00 0.00 C ATOM 641 OH TYR A 43 5.493 21.218 -9.807 1.00 0.00 O ATOM 0 H TYR A 43 1.609 27.610 -7.395 1.00 0.00 H new ATOM 0 HA TYR A 43 3.104 25.653 -5.637 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.295 24.635 -6.889 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.552 25.679 -8.273 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.700 23.362 -6.207 1.00 0.00 H new ATOM 0 HD2 TYR A 43 2.444 24.589 -10.129 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.193 21.660 -7.219 1.00 0.00 H new ATOM 0 HE2 TYR A 43 3.934 22.884 -11.139 1.00 0.00 H new ATOM 0 HH TYR A 43 5.923 21.593 -10.604 1.00 0.00 H new ATOM 651 N ILE A 44 5.301 26.242 -6.557 1.00 0.00 N ATOM 652 CA ILE A 44 6.637 26.554 -7.142 1.00 0.00 C ATOM 653 C ILE A 44 7.284 25.282 -7.699 1.00 0.00 C ATOM 654 O ILE A 44 7.455 24.312 -6.987 1.00 0.00 O ATOM 655 CB ILE A 44 7.467 27.098 -5.979 1.00 0.00 C ATOM 656 CG1 ILE A 44 6.998 28.511 -5.634 1.00 0.00 C ATOM 657 CG2 ILE A 44 8.939 27.142 -6.387 1.00 0.00 C ATOM 658 CD1 ILE A 44 5.858 28.442 -4.615 1.00 0.00 C ATOM 0 H ILE A 44 5.317 25.894 -5.598 1.00 0.00 H new ATOM 0 HA ILE A 44 6.565 27.266 -7.964 1.00 0.00 H new ATOM 0 HB ILE A 44 7.344 26.451 -5.111 1.00 0.00 H new ATOM 0 HG12 ILE A 44 7.827 29.091 -5.228 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.662 29.023 -6.536 1.00 0.00 H new ATOM 0 HG21 ILE A 44 9.534 27.529 -5.560 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.277 26.137 -6.638 1.00 0.00 H new ATOM 0 HG23 ILE A 44 9.057 27.791 -7.254 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.526 29.451 -4.371 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.026 27.879 -5.037 1.00 0.00 H new ATOM 0 HD13 ILE A 44 6.209 27.947 -3.709 1.00 0.00 H new ATOM 670 N PRO A 45 7.632 25.331 -8.957 1.00 0.00 N ATOM 671 CA PRO A 45 8.278 24.168 -9.610 1.00 0.00 C ATOM 672 C PRO A 45 9.731 24.033 -9.141 1.00 0.00 C ATOM 673 O PRO A 45 10.503 24.968 -9.206 1.00 0.00 O ATOM 674 CB PRO A 45 8.215 24.510 -11.095 1.00 0.00 C ATOM 675 CG PRO A 45 8.132 26.003 -11.148 1.00 0.00 C ATOM 676 CD PRO A 45 7.458 26.459 -9.878 1.00 0.00 C ATOM 0 HA PRO A 45 7.793 23.220 -9.376 1.00 0.00 H new ATOM 0 HB2 PRO A 45 9.097 24.145 -11.621 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.348 24.050 -11.569 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.127 26.441 -11.234 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.565 26.326 -12.021 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.917 27.367 -9.487 1.00 0.00 H new ATOM 0 HD3 PRO A 45 6.403 26.680 -10.043 1.00 0.00 H new ATOM 684 N ARG A 46 10.105 22.877 -8.669 1.00 0.00 N ATOM 685 CA ARG A 46 11.507 22.683 -8.194 1.00 0.00 C ATOM 686 C ARG A 46 12.047 21.338 -8.684 1.00 0.00 C ATOM 687 O ARG A 46 11.303 20.481 -9.119 1.00 0.00 O ATOM 688 CB ARG A 46 11.409 22.694 -6.668 1.00 0.00 C ATOM 689 CG ARG A 46 12.170 23.901 -6.116 1.00 0.00 C ATOM 690 CD ARG A 46 11.660 24.222 -4.710 1.00 0.00 C ATOM 691 NE ARG A 46 12.392 25.453 -4.307 1.00 0.00 N ATOM 692 CZ ARG A 46 12.333 25.869 -3.072 1.00 0.00 C ATOM 693 NH1 ARG A 46 11.184 25.915 -2.456 1.00 0.00 N ATOM 694 NH2 ARG A 46 13.420 26.238 -2.452 1.00 0.00 N ATOM 0 H ARG A 46 9.503 22.058 -8.591 1.00 0.00 H new ATOM 0 HA ARG A 46 12.182 23.453 -8.567 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.364 22.738 -6.360 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.823 21.772 -6.260 1.00 0.00 H new ATOM 0 HG2 ARG A 46 13.239 23.689 -6.088 1.00 0.00 H new ATOM 0 HG3 ARG A 46 12.033 24.762 -6.770 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.582 24.385 -4.709 1.00 0.00 H new ATOM 0 HD3 ARG A 46 11.859 23.401 -4.021 1.00 0.00 H new ATOM 0 HE ARG A 46 12.939 25.971 -4.995 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.334 25.626 -2.940 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.136 26.240 -1.490 1.00 0.00 H new ATOM 0 HH21 ARG A 46 14.319 26.202 -2.933 1.00 0.00 H new ATOM 0 HH22 ARG A 46 13.371 26.563 -1.486 1.00 0.00 H new ATOM 708 N LYS A 47 13.336 21.142 -8.612 1.00 0.00 N ATOM 709 CA LYS A 47 13.915 19.847 -9.067 1.00 0.00 C ATOM 710 C LYS A 47 13.257 18.693 -8.310 1.00 0.00 C ATOM 711 O LYS A 47 13.307 17.551 -8.724 1.00 0.00 O ATOM 712 CB LYS A 47 15.402 19.934 -8.723 1.00 0.00 C ATOM 713 CG LYS A 47 16.092 20.899 -9.686 1.00 0.00 C ATOM 714 CD LYS A 47 17.582 20.983 -9.349 1.00 0.00 C ATOM 715 CE LYS A 47 18.390 20.206 -10.391 1.00 0.00 C ATOM 716 NZ LYS A 47 19.485 21.131 -10.797 1.00 0.00 N ATOM 0 H LYS A 47 14.011 21.821 -8.259 1.00 0.00 H new ATOM 0 HA LYS A 47 13.756 19.669 -10.131 1.00 0.00 H new ATOM 0 HB2 LYS A 47 15.529 20.276 -7.696 1.00 0.00 H new ATOM 0 HB3 LYS A 47 15.860 18.947 -8.790 1.00 0.00 H new ATOM 0 HG2 LYS A 47 15.960 20.560 -10.713 1.00 0.00 H new ATOM 0 HG3 LYS A 47 15.637 21.887 -9.615 1.00 0.00 H new ATOM 0 HD2 LYS A 47 17.902 22.025 -9.329 1.00 0.00 H new ATOM 0 HD3 LYS A 47 17.764 20.574 -8.355 1.00 0.00 H new ATOM 0 HE2 LYS A 47 18.789 19.282 -9.973 1.00 0.00 H new ATOM 0 HE3 LYS A 47 17.771 19.929 -11.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 20.083 20.669 -11.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 19.076 21.999 -11.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 20.062 21.372 -9.966 1.00 0.00 H new ATOM 730 N GLU A 48 12.641 18.987 -7.198 1.00 0.00 N ATOM 731 CA GLU A 48 11.978 17.916 -6.403 1.00 0.00 C ATOM 732 C GLU A 48 10.773 17.355 -7.162 1.00 0.00 C ATOM 733 O GLU A 48 10.327 16.255 -6.904 1.00 0.00 O ATOM 734 CB GLU A 48 11.527 18.599 -5.112 1.00 0.00 C ATOM 735 CG GLU A 48 11.314 17.547 -4.023 1.00 0.00 C ATOM 736 CD GLU A 48 11.639 18.154 -2.656 1.00 0.00 C ATOM 737 OE1 GLU A 48 12.721 18.699 -2.515 1.00 0.00 O ATOM 738 OE2 GLU A 48 10.800 18.064 -1.776 1.00 0.00 O ATOM 0 H GLU A 48 12.568 19.925 -6.805 1.00 0.00 H new ATOM 0 HA GLU A 48 12.647 17.077 -6.209 1.00 0.00 H new ATOM 0 HB2 GLU A 48 12.276 19.323 -4.791 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.603 19.151 -5.284 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.283 17.194 -4.040 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.950 16.682 -4.209 1.00 0.00 H new ATOM 745 N VAL A 49 10.235 18.099 -8.093 1.00 0.00 N ATOM 746 CA VAL A 49 9.056 17.592 -8.857 1.00 0.00 C ATOM 747 C VAL A 49 9.024 18.209 -10.262 1.00 0.00 C ATOM 748 O VAL A 49 9.813 19.074 -10.590 1.00 0.00 O ATOM 749 CB VAL A 49 7.816 18.012 -8.046 1.00 0.00 C ATOM 750 CG1 VAL A 49 8.103 17.908 -6.545 1.00 0.00 C ATOM 751 CG2 VAL A 49 7.429 19.455 -8.384 1.00 0.00 C ATOM 0 H VAL A 49 10.558 19.030 -8.356 1.00 0.00 H new ATOM 0 HA VAL A 49 9.095 16.511 -8.988 1.00 0.00 H new ATOM 0 HB VAL A 49 6.994 17.344 -8.304 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.218 18.208 -5.984 1.00 0.00 H new ATOM 0 HG12 VAL A 49 8.360 16.879 -6.294 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.935 18.563 -6.287 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.551 19.741 -7.805 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.257 20.120 -8.140 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.203 19.531 -9.448 1.00 0.00 H new ATOM 761 N GLU A 50 8.117 17.768 -11.091 1.00 0.00 N ATOM 762 CA GLU A 50 8.032 18.327 -12.472 1.00 0.00 C ATOM 763 C GLU A 50 6.567 18.542 -12.867 1.00 0.00 C ATOM 764 O GLU A 50 5.719 17.707 -12.619 1.00 0.00 O ATOM 765 CB GLU A 50 8.676 17.270 -13.370 1.00 0.00 C ATOM 766 CG GLU A 50 9.623 17.951 -14.362 1.00 0.00 C ATOM 767 CD GLU A 50 11.036 17.387 -14.192 1.00 0.00 C ATOM 768 OE1 GLU A 50 11.152 16.230 -13.825 1.00 0.00 O ATOM 769 OE2 GLU A 50 11.979 18.123 -14.435 1.00 0.00 O ATOM 0 H GLU A 50 7.431 17.045 -10.872 1.00 0.00 H new ATOM 0 HA GLU A 50 8.531 19.293 -12.556 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.224 16.548 -12.765 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.906 16.716 -13.907 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.276 17.788 -15.382 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.628 19.028 -14.195 1.00 0.00 H new ATOM 776 N VAL A 51 6.265 19.651 -13.487 1.00 0.00 N ATOM 777 CA VAL A 51 4.857 19.913 -13.906 1.00 0.00 C ATOM 778 C VAL A 51 4.377 18.784 -14.820 1.00 0.00 C ATOM 779 O VAL A 51 4.887 18.597 -15.907 1.00 0.00 O ATOM 780 CB VAL A 51 4.911 21.236 -14.667 1.00 0.00 C ATOM 781 CG1 VAL A 51 3.513 21.587 -15.184 1.00 0.00 C ATOM 782 CG2 VAL A 51 5.401 22.344 -13.730 1.00 0.00 C ATOM 0 H VAL A 51 6.932 20.387 -13.721 1.00 0.00 H new ATOM 0 HA VAL A 51 4.168 19.962 -13.062 1.00 0.00 H new ATOM 0 HB VAL A 51 5.596 21.142 -15.509 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.552 22.531 -15.727 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.163 20.799 -15.851 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.827 21.681 -14.342 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.440 23.289 -14.273 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.716 22.437 -12.887 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.397 22.096 -13.362 1.00 0.00 H new ATOM 792 N VAL A 52 3.413 18.022 -14.387 1.00 0.00 N ATOM 793 CA VAL A 52 2.925 16.898 -15.234 1.00 0.00 C ATOM 794 C VAL A 52 1.771 17.347 -16.132 1.00 0.00 C ATOM 795 O VAL A 52 1.853 17.267 -17.342 1.00 0.00 O ATOM 796 CB VAL A 52 2.452 15.834 -14.246 1.00 0.00 C ATOM 797 CG1 VAL A 52 2.177 14.529 -14.990 1.00 0.00 C ATOM 798 CG2 VAL A 52 3.545 15.595 -13.210 1.00 0.00 C ATOM 0 H VAL A 52 2.943 18.127 -13.488 1.00 0.00 H new ATOM 0 HA VAL A 52 3.704 16.526 -15.899 1.00 0.00 H new ATOM 0 HB VAL A 52 1.539 16.173 -13.756 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.840 13.771 -14.283 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.404 14.694 -15.741 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.090 14.189 -15.478 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.214 14.836 -12.501 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.452 15.254 -13.710 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.751 16.524 -12.678 1.00 0.00 H new ATOM 808 N GLU A 53 0.689 17.803 -15.562 1.00 0.00 N ATOM 809 CA GLU A 53 -0.459 18.231 -16.416 1.00 0.00 C ATOM 810 C GLU A 53 -1.181 19.432 -15.801 1.00 0.00 C ATOM 811 O GLU A 53 -0.954 19.797 -14.666 1.00 0.00 O ATOM 812 CB GLU A 53 -1.410 17.024 -16.467 1.00 0.00 C ATOM 813 CG GLU A 53 -0.623 15.709 -16.420 1.00 0.00 C ATOM 814 CD GLU A 53 -1.483 14.584 -16.997 1.00 0.00 C ATOM 815 OE1 GLU A 53 -2.690 14.644 -16.832 1.00 0.00 O ATOM 816 OE2 GLU A 53 -0.920 13.683 -17.596 1.00 0.00 O ATOM 0 H GLU A 53 0.549 17.898 -14.556 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.120 18.533 -17.407 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.105 17.067 -15.629 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.007 17.064 -17.378 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.301 15.805 -16.990 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.342 15.477 -15.393 1.00 0.00 H new ATOM 823 N ILE A 54 -2.064 20.036 -16.548 1.00 0.00 N ATOM 824 CA ILE A 54 -2.832 21.205 -16.021 1.00 0.00 C ATOM 825 C ILE A 54 -4.307 21.021 -16.386 1.00 0.00 C ATOM 826 O ILE A 54 -4.630 20.521 -17.444 1.00 0.00 O ATOM 827 CB ILE A 54 -2.263 22.467 -16.700 1.00 0.00 C ATOM 828 CG1 ILE A 54 -0.917 22.172 -17.377 1.00 0.00 C ATOM 829 CG2 ILE A 54 -2.061 23.559 -15.645 1.00 0.00 C ATOM 830 CD1 ILE A 54 0.134 21.850 -16.314 1.00 0.00 C ATOM 0 H ILE A 54 -2.289 19.770 -17.507 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.747 21.293 -14.938 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.970 22.796 -17.461 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.021 21.333 -18.065 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.600 23.031 -17.968 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.659 24.454 -16.120 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.017 23.795 -15.178 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.363 23.206 -14.885 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.088 21.641 -16.797 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.246 22.702 -15.643 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.182 20.977 -15.743 1.00 0.00 H new ATOM 842 N ILE A 55 -5.205 21.408 -15.526 1.00 0.00 N ATOM 843 CA ILE A 55 -6.650 21.233 -15.847 1.00 0.00 C ATOM 844 C ILE A 55 -7.446 22.481 -15.449 1.00 0.00 C ATOM 845 O ILE A 55 -7.337 22.975 -14.343 1.00 0.00 O ATOM 846 CB ILE A 55 -7.085 19.998 -15.038 1.00 0.00 C ATOM 847 CG1 ILE A 55 -8.183 19.256 -15.804 1.00 0.00 C ATOM 848 CG2 ILE A 55 -7.620 20.412 -13.663 1.00 0.00 C ATOM 849 CD1 ILE A 55 -9.424 20.143 -15.908 1.00 0.00 C ATOM 0 H ILE A 55 -5.005 21.835 -14.621 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.829 21.095 -16.913 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.220 19.350 -14.896 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.829 18.990 -16.800 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.431 18.325 -15.294 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.922 19.524 -13.108 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.840 20.937 -13.112 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -8.480 21.070 -13.790 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -10.205 19.613 -16.454 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -9.782 20.387 -14.908 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -9.171 21.062 -16.437 1.00 0.00 H new ATOM 861 N GLN A 56 -8.248 22.987 -16.349 1.00 0.00 N ATOM 862 CA GLN A 56 -9.058 24.199 -16.040 1.00 0.00 C ATOM 863 C GLN A 56 -10.343 23.797 -15.313 1.00 0.00 C ATOM 864 O GLN A 56 -10.658 22.631 -15.192 1.00 0.00 O ATOM 865 CB GLN A 56 -9.384 24.808 -17.404 1.00 0.00 C ATOM 866 CG GLN A 56 -8.527 26.055 -17.622 1.00 0.00 C ATOM 867 CD GLN A 56 -7.053 25.698 -17.422 1.00 0.00 C ATOM 868 OE1 GLN A 56 -6.559 25.705 -16.311 1.00 0.00 O ATOM 869 NE2 GLN A 56 -6.324 25.383 -18.458 1.00 0.00 N ATOM 0 H GLN A 56 -8.376 22.610 -17.288 1.00 0.00 H new ATOM 0 HA GLN A 56 -8.531 24.901 -15.394 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -9.195 24.081 -18.194 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -10.442 25.067 -17.456 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -8.685 26.447 -18.627 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.821 26.839 -16.924 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -6.738 25.377 -19.390 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.340 25.143 -18.335 1.00 0.00 H new ATOM 878 N ALA A 57 -11.088 24.751 -14.821 1.00 0.00 N ATOM 879 CA ALA A 57 -12.345 24.406 -14.099 1.00 0.00 C ATOM 880 C ALA A 57 -13.536 24.411 -15.060 1.00 0.00 C ATOM 881 O ALA A 57 -13.759 25.367 -15.774 1.00 0.00 O ATOM 882 CB ALA A 57 -12.514 25.490 -13.035 1.00 0.00 C ATOM 0 H ALA A 57 -10.882 25.748 -14.888 1.00 0.00 H new ATOM 0 HA ALA A 57 -12.297 23.410 -13.660 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -13.422 25.300 -12.463 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -11.654 25.479 -12.365 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.586 26.465 -13.517 1.00 0.00 H new ATOM 888 N THR A 58 -14.307 23.352 -15.082 1.00 0.00 N ATOM 889 CA THR A 58 -15.482 23.314 -16.003 1.00 0.00 C ATOM 890 C THR A 58 -16.145 21.930 -16.009 1.00 0.00 C ATOM 891 O THR A 58 -16.219 21.286 -17.036 1.00 0.00 O ATOM 892 CB THR A 58 -14.906 23.613 -17.391 1.00 0.00 C ATOM 893 OG1 THR A 58 -15.844 23.220 -18.382 1.00 0.00 O ATOM 894 CG2 THR A 58 -13.604 22.832 -17.584 1.00 0.00 C ATOM 0 H THR A 58 -14.175 22.520 -14.507 1.00 0.00 H new ATOM 0 HA THR A 58 -16.247 24.027 -15.696 1.00 0.00 H new ATOM 0 HB THR A 58 -14.704 24.680 -17.480 1.00 0.00 H new ATOM 0 HG1 THR A 58 -15.921 22.243 -18.390 1.00 0.00 H new ATOM 0 HG21 THR A 58 -13.195 23.045 -18.572 1.00 0.00 H new ATOM 0 HG22 THR A 58 -12.885 23.130 -16.821 1.00 0.00 H new ATOM 0 HG23 THR A 58 -13.804 21.764 -17.497 1.00 0.00 H new ATOM 902 N ILE A 59 -16.641 21.462 -14.892 1.00 0.00 N ATOM 903 CA ILE A 59 -17.300 20.119 -14.905 1.00 0.00 C ATOM 904 C ILE A 59 -18.109 19.872 -13.621 1.00 0.00 C ATOM 905 O ILE A 59 -19.267 19.505 -13.676 1.00 0.00 O ATOM 906 CB ILE A 59 -16.144 19.115 -15.070 1.00 0.00 C ATOM 907 CG1 ILE A 59 -16.560 18.034 -16.068 1.00 0.00 C ATOM 908 CG2 ILE A 59 -15.779 18.454 -13.734 1.00 0.00 C ATOM 909 CD1 ILE A 59 -15.630 18.078 -17.283 1.00 0.00 C ATOM 0 H ILE A 59 -16.621 21.938 -13.990 1.00 0.00 H new ATOM 0 HA ILE A 59 -18.028 20.026 -15.711 1.00 0.00 H new ATOM 0 HB ILE A 59 -15.270 19.656 -15.432 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -16.515 17.052 -15.597 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -17.592 18.190 -16.381 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -14.960 17.752 -13.887 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -15.472 19.219 -13.021 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -16.646 17.921 -13.343 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -15.925 17.308 -17.995 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -15.698 19.057 -17.758 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -14.603 17.901 -16.962 1.00 0.00 H new ATOM 921 N ILE A 60 -17.518 20.052 -12.470 1.00 0.00 N ATOM 922 CA ILE A 60 -18.275 19.802 -11.205 1.00 0.00 C ATOM 923 C ILE A 60 -19.147 21.011 -10.852 1.00 0.00 C ATOM 924 O ILE A 60 -18.761 22.147 -11.038 1.00 0.00 O ATOM 925 CB ILE A 60 -17.204 19.570 -10.138 1.00 0.00 C ATOM 926 CG1 ILE A 60 -16.674 18.140 -10.262 1.00 0.00 C ATOM 927 CG2 ILE A 60 -17.810 19.763 -8.744 1.00 0.00 C ATOM 928 CD1 ILE A 60 -15.148 18.152 -10.165 1.00 0.00 C ATOM 0 H ILE A 60 -16.553 20.358 -12.349 1.00 0.00 H new ATOM 0 HA ILE A 60 -18.950 18.950 -11.292 1.00 0.00 H new ATOM 0 HB ILE A 60 -16.391 20.282 -10.280 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -17.094 17.515 -9.474 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -16.985 17.706 -11.212 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -17.043 19.597 -7.988 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -18.196 20.778 -8.652 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -18.623 19.052 -8.599 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -14.770 17.134 -10.253 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -14.737 18.763 -10.969 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -14.848 18.568 -9.203 1.00 0.00 H new ATOM 940 N ARG A 61 -20.326 20.769 -10.342 1.00 0.00 N ATOM 941 CA ARG A 61 -21.232 21.896 -9.977 1.00 0.00 C ATOM 942 C ARG A 61 -20.687 22.660 -8.767 1.00 0.00 C ATOM 943 O ARG A 61 -19.572 22.449 -8.334 1.00 0.00 O ATOM 944 CB ARG A 61 -22.565 21.231 -9.633 1.00 0.00 C ATOM 945 CG ARG A 61 -23.714 22.059 -10.211 1.00 0.00 C ATOM 946 CD ARG A 61 -24.668 22.461 -9.084 1.00 0.00 C ATOM 947 NE ARG A 61 -25.990 22.637 -9.748 1.00 0.00 N ATOM 948 CZ ARG A 61 -26.163 23.596 -10.616 1.00 0.00 C ATOM 949 NH1 ARG A 61 -25.230 24.491 -10.798 1.00 0.00 N ATOM 950 NH2 ARG A 61 -27.271 23.661 -11.304 1.00 0.00 N ATOM 0 H ARG A 61 -20.701 19.837 -10.162 1.00 0.00 H new ATOM 0 HA ARG A 61 -21.328 22.621 -10.785 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -22.593 20.219 -10.037 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -22.672 21.146 -8.552 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -23.323 22.948 -10.706 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -24.248 21.483 -10.966 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -24.713 21.694 -8.311 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -24.343 23.382 -8.600 1.00 0.00 H new ATOM 0 HE ARG A 61 -26.761 22.007 -9.524 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -24.364 24.441 -10.261 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -25.367 25.240 -11.477 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -28.001 22.962 -11.163 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -27.407 24.410 -11.983 1.00 0.00 H new ATOM 964 N GLN A 62 -21.473 23.550 -8.220 1.00 0.00 N ATOM 965 CA GLN A 62 -21.018 24.337 -7.037 1.00 0.00 C ATOM 966 C GLN A 62 -21.420 23.632 -5.739 1.00 0.00 C ATOM 967 O GLN A 62 -20.714 23.667 -4.751 1.00 0.00 O ATOM 968 CB GLN A 62 -21.749 25.678 -7.150 1.00 0.00 C ATOM 969 CG GLN A 62 -21.496 26.507 -5.888 1.00 0.00 C ATOM 970 CD GLN A 62 -22.820 26.751 -5.161 1.00 0.00 C ATOM 971 OE1 GLN A 62 -23.030 27.804 -4.590 1.00 0.00 O ATOM 972 NE2 GLN A 62 -23.730 25.816 -5.158 1.00 0.00 N ATOM 0 H GLN A 62 -22.416 23.766 -8.544 1.00 0.00 H new ATOM 0 HA GLN A 62 -19.934 24.454 -7.017 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -21.402 26.220 -8.030 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -22.818 25.511 -7.280 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -20.800 25.985 -5.231 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -21.034 27.458 -6.152 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -23.555 24.932 -5.637 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -24.616 25.969 -4.677 1.00 0.00 H new ATOM 981 N ASN A 63 -22.563 23.009 -5.737 1.00 0.00 N ATOM 982 CA ASN A 63 -23.042 22.312 -4.507 1.00 0.00 C ATOM 983 C ASN A 63 -22.518 20.873 -4.453 1.00 0.00 C ATOM 984 O ASN A 63 -22.329 20.311 -3.393 1.00 0.00 O ATOM 985 CB ASN A 63 -24.566 22.320 -4.637 1.00 0.00 C ATOM 986 CG ASN A 63 -25.136 23.545 -3.919 1.00 0.00 C ATOM 987 OD1 ASN A 63 -25.931 24.275 -4.479 1.00 0.00 O ATOM 988 ND2 ASN A 63 -24.763 23.805 -2.697 1.00 0.00 N ATOM 0 H ASN A 63 -23.192 22.951 -6.538 1.00 0.00 H new ATOM 0 HA ASN A 63 -22.694 22.799 -3.596 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -24.851 22.337 -5.689 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -24.982 21.408 -4.209 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -25.138 24.620 -2.212 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -24.096 23.193 -2.226 1.00 0.00 H new ATOM 995 N GLN A 64 -22.298 20.266 -5.585 1.00 0.00 N ATOM 996 CA GLN A 64 -21.806 18.857 -5.594 1.00 0.00 C ATOM 997 C GLN A 64 -20.477 18.723 -4.848 1.00 0.00 C ATOM 998 O GLN A 64 -19.600 19.557 -4.951 1.00 0.00 O ATOM 999 CB GLN A 64 -21.622 18.511 -7.071 1.00 0.00 C ATOM 1000 CG GLN A 64 -20.863 17.187 -7.187 1.00 0.00 C ATOM 1001 CD GLN A 64 -21.584 16.117 -6.365 1.00 0.00 C ATOM 1002 OE1 GLN A 64 -20.992 15.492 -5.507 1.00 0.00 O ATOM 1003 NE2 GLN A 64 -22.847 15.879 -6.590 1.00 0.00 N ATOM 0 H GLN A 64 -22.437 20.683 -6.505 1.00 0.00 H new ATOM 0 HA GLN A 64 -22.506 18.189 -5.092 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -22.592 18.432 -7.562 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -21.072 19.305 -7.577 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -20.802 16.880 -8.231 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -19.840 17.308 -6.830 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -23.344 16.403 -7.310 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -23.337 15.169 -6.046 1.00 0.00 H new ATOM 1012 N ALA A 65 -20.323 17.656 -4.111 1.00 0.00 N ATOM 1013 CA ALA A 65 -19.053 17.427 -3.364 1.00 0.00 C ATOM 1014 C ALA A 65 -18.403 16.135 -3.868 1.00 0.00 C ATOM 1015 O ALA A 65 -19.083 15.165 -4.165 1.00 0.00 O ATOM 1016 CB ALA A 65 -19.471 17.294 -1.900 1.00 0.00 C ATOM 0 H ALA A 65 -21.028 16.928 -3.994 1.00 0.00 H new ATOM 0 HA ALA A 65 -18.328 18.230 -3.496 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -18.588 17.123 -1.284 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -19.966 18.210 -1.578 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -20.157 16.454 -1.792 1.00 0.00 H new ATOM 1022 N LEU A 66 -17.099 16.116 -3.984 1.00 0.00 N ATOM 1023 CA LEU A 66 -16.415 14.891 -4.493 1.00 0.00 C ATOM 1024 C LEU A 66 -15.328 14.426 -3.520 1.00 0.00 C ATOM 1025 O LEU A 66 -14.362 15.121 -3.277 1.00 0.00 O ATOM 1026 CB LEU A 66 -15.787 15.321 -5.819 1.00 0.00 C ATOM 1027 CG LEU A 66 -16.448 14.569 -6.974 1.00 0.00 C ATOM 1028 CD1 LEU A 66 -16.291 13.062 -6.762 1.00 0.00 C ATOM 1029 CD2 LEU A 66 -17.936 14.925 -7.029 1.00 0.00 C ATOM 0 H LEU A 66 -16.482 16.893 -3.749 1.00 0.00 H new ATOM 0 HA LEU A 66 -17.107 14.057 -4.607 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -15.907 16.396 -5.957 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.716 15.119 -5.807 1.00 0.00 H new ATOM 0 HG LEU A 66 -15.971 14.854 -7.912 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -16.763 12.527 -7.586 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -15.232 12.808 -6.724 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -16.767 12.775 -5.824 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -18.408 14.389 -7.852 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -18.413 14.641 -6.091 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -18.048 15.998 -7.183 1.00 0.00 H new ATOM 1041 N ARG A 67 -15.471 13.249 -2.975 1.00 0.00 N ATOM 1042 CA ARG A 67 -14.438 12.733 -2.030 1.00 0.00 C ATOM 1043 C ARG A 67 -13.400 11.907 -2.796 1.00 0.00 C ATOM 1044 O ARG A 67 -13.733 10.982 -3.509 1.00 0.00 O ATOM 1045 CB ARG A 67 -15.207 11.850 -1.045 1.00 0.00 C ATOM 1046 CG ARG A 67 -15.474 12.632 0.242 1.00 0.00 C ATOM 1047 CD ARG A 67 -16.966 12.965 0.338 1.00 0.00 C ATOM 1048 NE ARG A 67 -17.343 12.642 1.743 1.00 0.00 N ATOM 1049 CZ ARG A 67 -17.823 11.464 2.038 1.00 0.00 C ATOM 1050 NH1 ARG A 67 -17.013 10.476 2.301 1.00 0.00 N ATOM 1051 NH2 ARG A 67 -19.115 11.273 2.073 1.00 0.00 N ATOM 0 H ARG A 67 -16.258 12.622 -3.143 1.00 0.00 H new ATOM 0 HA ARG A 67 -13.901 13.533 -1.521 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -16.149 11.527 -1.489 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -14.634 10.950 -0.824 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -15.165 12.045 1.107 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -14.885 13.549 0.252 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -17.152 14.015 0.111 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -17.548 12.377 -0.372 1.00 0.00 H new ATOM 0 HE ARG A 67 -17.226 13.342 2.475 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -16.004 10.623 2.276 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -17.389 9.556 2.531 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -19.750 12.045 1.870 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -19.488 10.352 2.304 1.00 0.00 H new ATOM 1065 N LEU A 68 -12.144 12.236 -2.660 1.00 0.00 N ATOM 1066 CA LEU A 68 -11.091 11.470 -3.389 1.00 0.00 C ATOM 1067 C LEU A 68 -10.223 10.677 -2.405 1.00 0.00 C ATOM 1068 O LEU A 68 -9.790 11.190 -1.392 1.00 0.00 O ATOM 1069 CB LEU A 68 -10.254 12.533 -4.105 1.00 0.00 C ATOM 1070 CG LEU A 68 -10.813 12.766 -5.510 1.00 0.00 C ATOM 1071 CD1 LEU A 68 -10.861 11.438 -6.269 1.00 0.00 C ATOM 1072 CD2 LEU A 68 -12.227 13.344 -5.407 1.00 0.00 C ATOM 0 H LEU A 68 -11.801 13.000 -2.077 1.00 0.00 H new ATOM 0 HA LEU A 68 -11.518 10.746 -4.083 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -10.268 13.464 -3.538 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.214 12.212 -4.165 1.00 0.00 H new ATOM 0 HG LEU A 68 -10.170 13.466 -6.044 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.259 11.605 -7.270 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -9.855 11.025 -6.343 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -11.503 10.737 -5.735 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.626 13.510 -6.408 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -12.868 12.643 -4.872 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -12.195 14.291 -4.867 1.00 0.00 H new ATOM 1084 N ARG A 69 -9.963 9.432 -2.699 1.00 0.00 N ATOM 1085 CA ARG A 69 -9.120 8.609 -1.786 1.00 0.00 C ATOM 1086 C ARG A 69 -7.948 8.000 -2.560 1.00 0.00 C ATOM 1087 O ARG A 69 -8.038 7.750 -3.748 1.00 0.00 O ATOM 1088 CB ARG A 69 -10.048 7.513 -1.263 1.00 0.00 C ATOM 1089 CG ARG A 69 -9.337 6.725 -0.161 1.00 0.00 C ATOM 1090 CD ARG A 69 -10.257 6.601 1.054 1.00 0.00 C ATOM 1091 NE ARG A 69 -10.331 5.140 1.333 1.00 0.00 N ATOM 1092 CZ ARG A 69 -11.449 4.613 1.750 1.00 0.00 C ATOM 1093 NH1 ARG A 69 -12.514 4.661 0.999 1.00 0.00 N ATOM 1094 NH2 ARG A 69 -11.501 4.038 2.921 1.00 0.00 N ATOM 0 H ARG A 69 -10.298 8.949 -3.533 1.00 0.00 H new ATOM 0 HA ARG A 69 -8.694 9.198 -0.974 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -10.966 7.954 -0.875 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -10.334 6.845 -2.076 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -9.064 5.735 -0.526 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.412 7.227 0.120 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -9.858 7.146 1.909 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -11.244 7.014 0.846 1.00 0.00 H new ATOM 0 HE ARG A 69 -9.508 4.552 1.198 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -12.473 5.111 0.085 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -13.388 4.249 1.326 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -10.668 4.001 3.509 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -12.375 3.626 3.248 1.00 0.00 H new ATOM 1108 N ALA A 70 -6.848 7.765 -1.897 1.00 0.00 N ATOM 1109 CA ALA A 70 -5.665 7.179 -2.589 1.00 0.00 C ATOM 1110 C ALA A 70 -5.929 5.717 -2.958 1.00 0.00 C ATOM 1111 O ALA A 70 -6.538 4.977 -2.213 1.00 0.00 O ATOM 1112 CB ALA A 70 -4.524 7.269 -1.575 1.00 0.00 C ATOM 0 H ALA A 70 -6.718 7.954 -0.903 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.435 7.705 -3.516 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.615 6.856 -2.012 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.356 8.312 -1.308 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.786 6.703 -0.681 1.00 0.00 H new ATOM 1118 N ARG A 71 -5.464 5.298 -4.102 1.00 0.00 N ATOM 1119 CA ARG A 71 -5.673 3.883 -4.523 1.00 0.00 C ATOM 1120 C ARG A 71 -4.319 3.192 -4.691 1.00 0.00 C ATOM 1121 O ARG A 71 -4.206 1.986 -4.592 1.00 0.00 O ATOM 1122 CB ARG A 71 -6.400 3.976 -5.865 1.00 0.00 C ATOM 1123 CG ARG A 71 -6.876 2.585 -6.286 1.00 0.00 C ATOM 1124 CD ARG A 71 -8.314 2.370 -5.808 1.00 0.00 C ATOM 1125 NE ARG A 71 -9.167 2.843 -6.935 1.00 0.00 N ATOM 1126 CZ ARG A 71 -10.465 2.868 -6.806 1.00 0.00 C ATOM 1127 NH1 ARG A 71 -11.005 2.781 -5.621 1.00 0.00 N ATOM 1128 NH2 ARG A 71 -11.223 2.985 -7.861 1.00 0.00 N ATOM 0 H ARG A 71 -4.947 5.875 -4.765 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.242 3.306 -3.794 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.250 4.653 -5.784 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.735 4.389 -6.623 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.823 2.484 -7.370 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.223 1.822 -5.862 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -8.503 1.320 -5.583 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.516 2.933 -4.897 1.00 0.00 H new ATOM 0 HE ARG A 71 -8.736 3.147 -7.808 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -10.412 2.693 -4.796 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -12.020 2.801 -5.520 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -10.801 3.057 -8.787 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -12.238 3.005 -7.760 1.00 0.00 H new ATOM 1142 N LYS A 72 -3.290 3.955 -4.942 1.00 0.00 N ATOM 1143 CA LYS A 72 -1.935 3.359 -5.117 1.00 0.00 C ATOM 1144 C LYS A 72 -0.934 4.063 -4.195 1.00 0.00 C ATOM 1145 O LYS A 72 -0.581 5.206 -4.408 1.00 0.00 O ATOM 1146 CB LYS A 72 -1.595 3.598 -6.595 1.00 0.00 C ATOM 1147 CG LYS A 72 -0.076 3.616 -6.800 1.00 0.00 C ATOM 1148 CD LYS A 72 0.291 2.718 -7.984 1.00 0.00 C ATOM 1149 CE LYS A 72 -0.302 3.303 -9.271 1.00 0.00 C ATOM 1150 NZ LYS A 72 0.375 2.575 -10.385 1.00 0.00 N ATOM 0 H LYS A 72 -3.330 4.970 -5.034 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.899 2.300 -4.863 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.041 2.815 -7.208 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.024 4.544 -6.925 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.265 4.635 -6.984 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.427 3.269 -5.897 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.375 2.640 -8.073 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.089 1.710 -7.821 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.382 3.160 -9.307 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.121 4.376 -9.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.017 2.925 -11.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.401 2.735 -10.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.179 1.557 -10.304 1.00 0.00 H new ATOM 1164 N GLU A 73 -0.477 3.388 -3.175 1.00 0.00 N ATOM 1165 CA GLU A 73 0.501 4.015 -2.237 1.00 0.00 C ATOM 1166 C GLU A 73 1.621 4.705 -3.019 1.00 0.00 C ATOM 1167 O GLU A 73 2.633 4.111 -3.338 1.00 0.00 O ATOM 1168 CB GLU A 73 1.058 2.852 -1.420 1.00 0.00 C ATOM 1169 CG GLU A 73 1.603 1.789 -2.372 1.00 0.00 C ATOM 1170 CD GLU A 73 2.944 1.271 -1.848 1.00 0.00 C ATOM 1171 OE1 GLU A 73 3.844 2.078 -1.680 1.00 0.00 O ATOM 1172 OE2 GLU A 73 3.048 0.076 -1.625 1.00 0.00 O ATOM 0 H GLU A 73 -0.738 2.428 -2.950 1.00 0.00 H new ATOM 0 HA GLU A 73 0.041 4.777 -1.608 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.848 3.203 -0.756 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.277 2.427 -0.789 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.893 0.967 -2.460 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.729 2.210 -3.370 1.00 0.00 H new ATOM 1179 N CYS A 74 1.448 5.956 -3.328 1.00 0.00 N ATOM 1180 CA CYS A 74 2.495 6.693 -4.088 1.00 0.00 C ATOM 1181 C CYS A 74 2.082 8.155 -4.269 1.00 0.00 C ATOM 1182 O CYS A 74 2.908 9.046 -4.297 1.00 0.00 O ATOM 1183 CB CYS A 74 2.571 5.985 -5.442 1.00 0.00 C ATOM 1184 SG CYS A 74 4.296 5.897 -5.982 1.00 0.00 S ATOM 0 H CYS A 74 0.623 6.504 -3.086 1.00 0.00 H new ATOM 0 HA CYS A 74 3.457 6.695 -3.575 1.00 0.00 H new ATOM 0 HB2 CYS A 74 2.152 4.982 -5.364 1.00 0.00 H new ATOM 0 HB3 CYS A 74 1.975 6.523 -6.179 1.00 0.00 H new ATOM 0 HG CYS A 74 4.361 5.293 -7.132 1.00 0.00 H new ATOM 1190 N TRP A 75 0.808 8.407 -4.393 1.00 0.00 N ATOM 1191 CA TRP A 75 0.335 9.809 -4.574 1.00 0.00 C ATOM 1192 C TRP A 75 0.411 10.565 -3.241 1.00 0.00 C ATOM 1193 O TRP A 75 -0.285 10.251 -2.297 1.00 0.00 O ATOM 1194 CB TRP A 75 -1.116 9.673 -5.063 1.00 0.00 C ATOM 1195 CG TRP A 75 -1.919 10.872 -4.653 1.00 0.00 C ATOM 1196 CD1 TRP A 75 -1.658 12.140 -5.039 1.00 0.00 C ATOM 1197 CD2 TRP A 75 -3.094 10.944 -3.788 1.00 0.00 C ATOM 1198 NE1 TRP A 75 -2.593 12.985 -4.471 1.00 0.00 N ATOM 1199 CE2 TRP A 75 -3.499 12.297 -3.692 1.00 0.00 C ATOM 1200 CE3 TRP A 75 -3.842 9.979 -3.085 1.00 0.00 C ATOM 1201 CZ2 TRP A 75 -4.601 12.680 -2.928 1.00 0.00 C ATOM 1202 CZ3 TRP A 75 -4.954 10.364 -2.314 1.00 0.00 C ATOM 1203 CH2 TRP A 75 -5.331 11.711 -2.237 1.00 0.00 C ATOM 0 H TRP A 75 0.072 7.701 -4.377 1.00 0.00 H new ATOM 0 HA TRP A 75 0.942 10.373 -5.281 1.00 0.00 H new ATOM 0 HB2 TRP A 75 -1.133 9.569 -6.148 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -1.563 8.769 -4.649 1.00 0.00 H new ATOM 0 HD1 TRP A 75 -0.849 12.444 -5.687 1.00 0.00 H new ATOM 0 HE1 TRP A 75 -2.611 13.995 -4.611 1.00 0.00 H new ATOM 0 HE3 TRP A 75 -3.560 8.938 -3.138 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 -4.888 13.720 -2.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 -5.520 9.617 -1.778 1.00 0.00 H new ATOM 0 HH2 TRP A 75 -6.186 12.000 -1.643 1.00 0.00 H new ATOM 1214 N ASP A 76 1.251 11.563 -3.161 1.00 0.00 N ATOM 1215 CA ASP A 76 1.367 12.338 -1.892 1.00 0.00 C ATOM 1216 C ASP A 76 0.411 13.534 -1.909 1.00 0.00 C ATOM 1217 O ASP A 76 0.570 14.456 -2.684 1.00 0.00 O ATOM 1218 CB ASP A 76 2.818 12.815 -1.848 1.00 0.00 C ATOM 1219 CG ASP A 76 3.755 11.606 -1.855 1.00 0.00 C ATOM 1220 OD1 ASP A 76 3.292 10.519 -1.547 1.00 0.00 O ATOM 1221 OD2 ASP A 76 4.920 11.787 -2.168 1.00 0.00 O ATOM 0 H ASP A 76 1.860 11.874 -3.918 1.00 0.00 H new ATOM 0 HA ASP A 76 1.108 11.738 -1.020 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.027 13.455 -2.705 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.988 13.414 -0.953 1.00 0.00 H new ATOM 1226 N ARG A 77 -0.579 13.526 -1.057 1.00 0.00 N ATOM 1227 CA ARG A 77 -1.541 14.666 -1.022 1.00 0.00 C ATOM 1228 C ARG A 77 -0.787 15.975 -0.775 1.00 0.00 C ATOM 1229 O ARG A 77 -0.973 16.952 -1.472 1.00 0.00 O ATOM 1230 CB ARG A 77 -2.480 14.354 0.146 1.00 0.00 C ATOM 1231 CG ARG A 77 -3.889 14.862 -0.173 1.00 0.00 C ATOM 1232 CD ARG A 77 -3.833 16.357 -0.496 1.00 0.00 C ATOM 1233 NE ARG A 77 -3.544 17.020 0.806 1.00 0.00 N ATOM 1234 CZ ARG A 77 -2.813 18.100 0.841 1.00 0.00 C ATOM 1235 NH1 ARG A 77 -2.959 19.017 -0.076 1.00 0.00 N ATOM 1236 NH2 ARG A 77 -1.934 18.263 1.794 1.00 0.00 N ATOM 0 H ARG A 77 -0.763 12.781 -0.385 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.086 14.783 -1.959 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.503 13.280 0.329 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -2.111 14.825 1.057 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.302 14.312 -1.018 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.551 14.687 0.675 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -3.057 16.574 -1.230 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.776 16.706 -0.916 1.00 0.00 H new ATOM 0 HE ARG A 77 -3.918 16.629 1.671 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -3.645 18.889 -0.820 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -2.387 19.861 -0.048 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -1.819 17.546 2.510 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -1.362 19.107 1.822 1.00 0.00 H new ATOM 1250 N ASP A 78 0.071 15.998 0.209 1.00 0.00 N ATOM 1251 CA ASP A 78 0.845 17.239 0.495 1.00 0.00 C ATOM 1252 C ASP A 78 2.191 17.192 -0.231 1.00 0.00 C ATOM 1253 O ASP A 78 2.859 18.195 -0.389 1.00 0.00 O ATOM 1254 CB ASP A 78 1.048 17.242 2.011 1.00 0.00 C ATOM 1255 CG ASP A 78 1.233 18.681 2.498 1.00 0.00 C ATOM 1256 OD1 ASP A 78 2.252 19.268 2.176 1.00 0.00 O ATOM 1257 OD2 ASP A 78 0.352 19.170 3.185 1.00 0.00 O ATOM 0 H ASP A 78 0.269 15.211 0.827 1.00 0.00 H new ATOM 0 HA ASP A 78 0.330 18.138 0.156 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.189 16.787 2.505 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.920 16.643 2.273 1.00 0.00 H new ATOM 1262 N GLY A 79 2.592 16.033 -0.674 1.00 0.00 N ATOM 1263 CA GLY A 79 3.894 15.917 -1.391 1.00 0.00 C ATOM 1264 C GLY A 79 4.961 15.393 -0.430 1.00 0.00 C ATOM 1265 O GLY A 79 6.121 15.740 -0.526 1.00 0.00 O ATOM 0 H GLY A 79 2.074 15.160 -0.571 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.794 15.243 -2.242 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.191 16.888 -1.787 1.00 0.00 H new ATOM 1269 N LYS A 80 4.577 14.557 0.497 1.00 0.00 N ATOM 1270 CA LYS A 80 5.568 14.010 1.466 1.00 0.00 C ATOM 1271 C LYS A 80 5.455 12.482 1.525 1.00 0.00 C ATOM 1272 O LYS A 80 5.396 11.895 2.587 1.00 0.00 O ATOM 1273 CB LYS A 80 5.191 14.634 2.809 1.00 0.00 C ATOM 1274 CG LYS A 80 3.773 14.208 3.190 1.00 0.00 C ATOM 1275 CD LYS A 80 3.522 14.521 4.667 1.00 0.00 C ATOM 1276 CE LYS A 80 3.878 15.983 4.947 1.00 0.00 C ATOM 1277 NZ LYS A 80 3.416 16.232 6.342 1.00 0.00 N ATOM 0 H LYS A 80 3.619 14.230 0.625 1.00 0.00 H new ATOM 0 HA LYS A 80 6.596 14.241 1.187 1.00 0.00 H new ATOM 0 HB2 LYS A 80 5.896 14.319 3.579 1.00 0.00 H new ATOM 0 HB3 LYS A 80 5.251 15.721 2.747 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.046 14.731 2.568 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.641 13.142 3.006 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.477 14.336 4.916 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.121 13.863 5.296 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.950 16.154 4.850 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.384 16.652 4.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 3.626 17.216 6.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 2.391 16.068 6.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.909 15.586 6.991 1.00 0.00 H new ATOM 1291 N GLU A 81 5.422 11.839 0.391 1.00 0.00 N ATOM 1292 CA GLU A 81 5.309 10.352 0.374 1.00 0.00 C ATOM 1293 C GLU A 81 4.172 9.891 1.295 1.00 0.00 C ATOM 1294 O GLU A 81 4.349 9.733 2.486 1.00 0.00 O ATOM 1295 CB GLU A 81 6.660 9.843 0.880 1.00 0.00 C ATOM 1296 CG GLU A 81 7.787 10.597 0.171 1.00 0.00 C ATOM 1297 CD GLU A 81 8.154 11.841 0.980 1.00 0.00 C ATOM 1298 OE1 GLU A 81 8.005 11.802 2.190 1.00 0.00 O ATOM 1299 OE2 GLU A 81 8.578 12.813 0.375 1.00 0.00 O ATOM 0 H GLU A 81 5.468 12.280 -0.528 1.00 0.00 H new ATOM 0 HA GLU A 81 5.079 9.968 -0.620 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.734 9.986 1.958 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.750 8.773 0.694 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.658 9.951 0.061 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.473 10.882 -0.833 1.00 0.00 H new ATOM 1306 N ARG A 82 3.007 9.672 0.745 1.00 0.00 N ATOM 1307 CA ARG A 82 1.853 9.219 1.578 1.00 0.00 C ATOM 1308 C ARG A 82 1.448 7.796 1.187 1.00 0.00 C ATOM 1309 O ARG A 82 2.040 7.191 0.315 1.00 0.00 O ATOM 1310 CB ARG A 82 0.724 10.201 1.266 1.00 0.00 C ATOM 1311 CG ARG A 82 0.932 11.490 2.062 1.00 0.00 C ATOM 1312 CD ARG A 82 0.922 11.168 3.559 1.00 0.00 C ATOM 1313 NE ARG A 82 0.633 12.461 4.236 1.00 0.00 N ATOM 1314 CZ ARG A 82 -0.115 12.483 5.305 1.00 0.00 C ATOM 1315 NH1 ARG A 82 -1.265 11.867 5.310 1.00 0.00 N ATOM 1316 NH2 ARG A 82 0.290 13.117 6.371 1.00 0.00 N ATOM 0 H ARG A 82 2.804 9.787 -0.248 1.00 0.00 H new ATOM 0 HA ARG A 82 2.094 9.202 2.641 1.00 0.00 H new ATOM 0 HB2 ARG A 82 0.703 10.420 0.198 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -0.239 9.757 1.519 1.00 0.00 H new ATOM 0 HG2 ARG A 82 1.879 11.954 1.784 1.00 0.00 H new ATOM 0 HG3 ARG A 82 0.145 12.207 1.827 1.00 0.00 H new ATOM 0 HD2 ARG A 82 0.164 10.422 3.796 1.00 0.00 H new ATOM 0 HD3 ARG A 82 1.881 10.761 3.880 1.00 0.00 H new ATOM 0 HE ARG A 82 1.019 13.329 3.865 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -1.580 11.368 4.478 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -1.849 11.884 6.146 1.00 0.00 H new ATOM 0 HH21 ARG A 82 1.191 13.595 6.369 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -0.294 13.134 7.207 1.00 0.00 H new ATOM 1330 N VAL A 83 0.448 7.254 1.827 1.00 0.00 N ATOM 1331 CA VAL A 83 0.015 5.867 1.488 1.00 0.00 C ATOM 1332 C VAL A 83 -1.448 5.853 1.038 1.00 0.00 C ATOM 1333 O VAL A 83 -2.179 6.805 1.232 1.00 0.00 O ATOM 1334 CB VAL A 83 0.173 5.075 2.783 1.00 0.00 C ATOM 1335 CG1 VAL A 83 -0.736 5.672 3.859 1.00 0.00 C ATOM 1336 CG2 VAL A 83 -0.224 3.619 2.534 1.00 0.00 C ATOM 0 H VAL A 83 -0.087 7.709 2.567 1.00 0.00 H new ATOM 0 HA VAL A 83 0.602 5.447 0.671 1.00 0.00 H new ATOM 0 HB VAL A 83 1.210 5.121 3.117 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.624 5.107 4.784 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.459 6.712 4.033 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.773 5.623 3.527 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.113 3.049 3.456 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.262 3.576 2.204 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.419 3.193 1.764 1.00 0.00 H new ATOM 1346 N THR A 84 -1.880 4.774 0.443 1.00 0.00 N ATOM 1347 CA THR A 84 -3.295 4.689 -0.016 1.00 0.00 C ATOM 1348 C THR A 84 -4.248 5.060 1.123 1.00 0.00 C ATOM 1349 O THR A 84 -5.387 5.423 0.901 1.00 0.00 O ATOM 1350 CB THR A 84 -3.493 3.227 -0.419 1.00 0.00 C ATOM 1351 OG1 THR A 84 -2.238 2.660 -0.775 1.00 0.00 O ATOM 1352 CG2 THR A 84 -4.446 3.153 -1.611 1.00 0.00 C ATOM 0 H THR A 84 -1.313 3.947 0.255 1.00 0.00 H new ATOM 0 HA THR A 84 -3.501 5.374 -0.839 1.00 0.00 H new ATOM 0 HB THR A 84 -3.916 2.672 0.418 1.00 0.00 H new ATOM 0 HG1 THR A 84 -1.876 2.162 -0.013 1.00 0.00 H new ATOM 0 HG21 THR A 84 -4.588 2.111 -1.899 1.00 0.00 H new ATOM 0 HG22 THR A 84 -5.407 3.588 -1.336 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.024 3.707 -2.449 1.00 0.00 H new ATOM 1360 N GLY A 85 -3.793 4.972 2.343 1.00 0.00 N ATOM 1361 CA GLY A 85 -4.673 5.319 3.496 1.00 0.00 C ATOM 1362 C GLY A 85 -4.927 6.825 3.505 1.00 0.00 C ATOM 1363 O GLY A 85 -5.778 7.317 4.222 1.00 0.00 O ATOM 0 H GLY A 85 -2.850 4.675 2.592 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.618 4.780 3.422 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.204 5.013 4.431 1.00 0.00 H new ATOM 1367 N GLU A 86 -4.196 7.561 2.715 1.00 0.00 N ATOM 1368 CA GLU A 86 -4.393 9.037 2.674 1.00 0.00 C ATOM 1369 C GLU A 86 -5.532 9.388 1.710 1.00 0.00 C ATOM 1370 O GLU A 86 -5.691 8.778 0.671 1.00 0.00 O ATOM 1371 CB GLU A 86 -3.055 9.593 2.176 1.00 0.00 C ATOM 1372 CG GLU A 86 -3.259 10.975 1.547 1.00 0.00 C ATOM 1373 CD GLU A 86 -3.728 11.960 2.618 1.00 0.00 C ATOM 1374 OE1 GLU A 86 -4.470 11.546 3.494 1.00 0.00 O ATOM 1375 OE2 GLU A 86 -3.336 13.114 2.547 1.00 0.00 O ATOM 0 H GLU A 86 -3.469 7.203 2.095 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.668 9.454 3.643 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -2.351 9.663 3.005 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -2.620 8.913 1.444 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -2.328 11.324 1.100 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -3.995 10.916 0.745 1.00 0.00 H new ATOM 1382 N GLU A 87 -6.326 10.367 2.047 1.00 0.00 N ATOM 1383 CA GLU A 87 -7.454 10.756 1.152 1.00 0.00 C ATOM 1384 C GLU A 87 -7.725 12.259 1.262 1.00 0.00 C ATOM 1385 O GLU A 87 -7.362 12.897 2.231 1.00 0.00 O ATOM 1386 CB GLU A 87 -8.654 9.958 1.662 1.00 0.00 C ATOM 1387 CG GLU A 87 -9.084 10.503 3.026 1.00 0.00 C ATOM 1388 CD GLU A 87 -10.258 9.681 3.561 1.00 0.00 C ATOM 1389 OE1 GLU A 87 -11.174 9.425 2.796 1.00 0.00 O ATOM 1390 OE2 GLU A 87 -10.222 9.322 4.727 1.00 0.00 O ATOM 0 H GLU A 87 -6.243 10.915 2.903 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.240 10.549 0.104 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.479 10.028 0.953 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.394 8.903 1.745 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.249 10.461 3.725 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.372 11.550 2.936 1.00 0.00 H new ATOM 1397 N TRP A 88 -8.362 12.829 0.275 1.00 0.00 N ATOM 1398 CA TRP A 88 -8.659 14.289 0.321 1.00 0.00 C ATOM 1399 C TRP A 88 -10.021 14.567 -0.335 1.00 0.00 C ATOM 1400 O TRP A 88 -10.327 14.057 -1.395 1.00 0.00 O ATOM 1401 CB TRP A 88 -7.488 14.945 -0.442 1.00 0.00 C ATOM 1402 CG TRP A 88 -7.952 15.591 -1.715 1.00 0.00 C ATOM 1403 CD1 TRP A 88 -8.230 14.934 -2.865 1.00 0.00 C ATOM 1404 CD2 TRP A 88 -8.192 17.004 -1.982 1.00 0.00 C ATOM 1405 NE1 TRP A 88 -8.626 15.855 -3.820 1.00 0.00 N ATOM 1406 CE2 TRP A 88 -8.619 17.144 -3.324 1.00 0.00 C ATOM 1407 CE3 TRP A 88 -8.081 18.166 -1.198 1.00 0.00 C ATOM 1408 CZ2 TRP A 88 -8.924 18.393 -3.869 1.00 0.00 C ATOM 1409 CZ3 TRP A 88 -8.388 19.424 -1.743 1.00 0.00 C ATOM 1410 CH2 TRP A 88 -8.809 19.537 -3.075 1.00 0.00 C ATOM 0 H TRP A 88 -8.690 12.346 -0.562 1.00 0.00 H new ATOM 0 HA TRP A 88 -8.735 14.686 1.333 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -7.012 15.692 0.193 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -6.733 14.192 -0.669 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -8.155 13.867 -3.013 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -8.891 15.611 -4.774 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -7.758 18.091 -0.170 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -9.246 18.474 -4.897 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -8.299 20.310 -1.132 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -9.044 20.507 -3.487 1.00 0.00 H new ATOM 1421 N LEU A 89 -10.838 15.374 0.287 1.00 0.00 N ATOM 1422 CA LEU A 89 -12.174 15.683 -0.301 1.00 0.00 C ATOM 1423 C LEU A 89 -12.107 16.987 -1.100 1.00 0.00 C ATOM 1424 O LEU A 89 -11.652 18.003 -0.611 1.00 0.00 O ATOM 1425 CB LEU A 89 -13.114 15.823 0.906 1.00 0.00 C ATOM 1426 CG LEU A 89 -14.350 16.660 0.534 1.00 0.00 C ATOM 1427 CD1 LEU A 89 -14.001 18.150 0.591 1.00 0.00 C ATOM 1428 CD2 LEU A 89 -14.822 16.297 -0.878 1.00 0.00 C ATOM 0 H LEU A 89 -10.639 15.832 1.176 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.517 14.912 -0.991 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -13.426 14.836 1.248 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -12.584 16.294 1.734 1.00 0.00 H new ATOM 0 HG LEU A 89 -15.149 16.448 1.244 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.879 18.740 0.327 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -13.679 18.410 1.599 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -13.196 18.362 -0.113 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -15.697 16.894 -1.134 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -14.024 16.500 -1.592 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -15.081 15.239 -0.914 1.00 0.00 H new ATOM 1440 N VAL A 90 -12.563 16.970 -2.323 1.00 0.00 N ATOM 1441 CA VAL A 90 -12.532 18.214 -3.144 1.00 0.00 C ATOM 1442 C VAL A 90 -13.953 18.760 -3.322 1.00 0.00 C ATOM 1443 O VAL A 90 -14.861 18.049 -3.715 1.00 0.00 O ATOM 1444 CB VAL A 90 -11.936 17.795 -4.490 1.00 0.00 C ATOM 1445 CG1 VAL A 90 -12.983 17.036 -5.308 1.00 0.00 C ATOM 1446 CG2 VAL A 90 -11.498 19.044 -5.259 1.00 0.00 C ATOM 0 H VAL A 90 -12.955 16.151 -2.788 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.945 19.004 -2.676 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.077 17.147 -4.318 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -12.553 16.740 -6.265 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.297 16.147 -4.761 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -13.846 17.679 -5.481 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -11.073 18.750 -6.219 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -12.360 19.689 -5.427 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.748 19.584 -4.680 1.00 0.00 H new ATOM 1456 N THR A 91 -14.153 20.017 -3.032 1.00 0.00 N ATOM 1457 CA THR A 91 -15.513 20.612 -3.181 1.00 0.00 C ATOM 1458 C THR A 91 -15.437 21.907 -3.992 1.00 0.00 C ATOM 1459 O THR A 91 -15.984 22.921 -3.608 1.00 0.00 O ATOM 1460 CB THR A 91 -15.981 20.907 -1.755 1.00 0.00 C ATOM 1461 OG1 THR A 91 -14.866 21.289 -0.962 1.00 0.00 O ATOM 1462 CG2 THR A 91 -16.629 19.657 -1.160 1.00 0.00 C ATOM 0 H THR A 91 -13.433 20.658 -2.698 1.00 0.00 H new ATOM 0 HA THR A 91 -16.197 19.944 -3.705 1.00 0.00 H new ATOM 0 HB THR A 91 -16.710 21.717 -1.772 1.00 0.00 H new ATOM 0 HG1 THR A 91 -15.164 21.480 -0.048 1.00 0.00 H new ATOM 0 HG21 THR A 91 -16.962 19.868 -0.144 1.00 0.00 H new ATOM 0 HG22 THR A 91 -17.485 19.366 -1.769 1.00 0.00 H new ATOM 0 HG23 THR A 91 -15.903 18.844 -1.142 1.00 0.00 H new ATOM 1470 N THR A 92 -14.766 21.885 -5.109 1.00 0.00 N ATOM 1471 CA THR A 92 -14.662 23.122 -5.935 1.00 0.00 C ATOM 1472 C THR A 92 -15.978 23.368 -6.677 1.00 0.00 C ATOM 1473 O THR A 92 -16.856 22.528 -6.699 1.00 0.00 O ATOM 1474 CB THR A 92 -13.528 22.848 -6.923 1.00 0.00 C ATOM 1475 OG1 THR A 92 -12.540 22.046 -6.294 1.00 0.00 O ATOM 1476 CG2 THR A 92 -12.906 24.172 -7.368 1.00 0.00 C ATOM 0 H THR A 92 -14.286 21.068 -5.486 1.00 0.00 H new ATOM 0 HA THR A 92 -14.466 24.008 -5.332 1.00 0.00 H new ATOM 0 HB THR A 92 -13.922 22.324 -7.794 1.00 0.00 H new ATOM 0 HG1 THR A 92 -11.661 22.248 -6.679 1.00 0.00 H new ATOM 0 HG21 THR A 92 -12.098 23.976 -8.072 1.00 0.00 H new ATOM 0 HG22 THR A 92 -13.666 24.787 -7.850 1.00 0.00 H new ATOM 0 HG23 THR A 92 -12.510 24.698 -6.499 1.00 0.00 H new ATOM 1484 N VAL A 93 -16.125 24.516 -7.280 1.00 0.00 N ATOM 1485 CA VAL A 93 -17.389 24.817 -8.012 1.00 0.00 C ATOM 1486 C VAL A 93 -17.117 24.969 -9.512 1.00 0.00 C ATOM 1487 O VAL A 93 -16.213 25.669 -9.920 1.00 0.00 O ATOM 1488 CB VAL A 93 -17.874 26.140 -7.420 1.00 0.00 C ATOM 1489 CG1 VAL A 93 -19.113 26.615 -8.178 1.00 0.00 C ATOM 1490 CG2 VAL A 93 -18.224 25.939 -5.945 1.00 0.00 C ATOM 0 H VAL A 93 -15.426 25.258 -7.298 1.00 0.00 H new ATOM 0 HA VAL A 93 -18.127 24.022 -7.907 1.00 0.00 H new ATOM 0 HB VAL A 93 -17.086 26.888 -7.509 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -19.459 27.558 -7.755 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -18.864 26.758 -9.229 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -19.902 25.868 -8.090 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -18.570 26.882 -5.521 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -19.012 25.191 -5.857 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -17.340 25.601 -5.404 1.00 0.00 H new ATOM 1500 N GLY A 94 -17.896 24.321 -10.337 1.00 0.00 N ATOM 1501 CA GLY A 94 -17.682 24.436 -11.809 1.00 0.00 C ATOM 1502 C GLY A 94 -16.208 24.181 -12.129 1.00 0.00 C ATOM 1503 O GLY A 94 -15.601 24.896 -12.902 1.00 0.00 O ATOM 0 H GLY A 94 -18.669 23.718 -10.056 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -18.310 23.718 -12.336 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -17.974 25.428 -12.154 1.00 0.00 H new ATOM 1507 N ALA A 95 -15.625 23.173 -11.540 1.00 0.00 N ATOM 1508 CA ALA A 95 -14.191 22.888 -11.812 1.00 0.00 C ATOM 1509 C ALA A 95 -13.966 21.396 -12.065 1.00 0.00 C ATOM 1510 O ALA A 95 -14.744 20.558 -11.655 1.00 0.00 O ATOM 1511 CB ALA A 95 -13.455 23.338 -10.554 1.00 0.00 C ATOM 0 H ALA A 95 -16.079 22.537 -10.884 1.00 0.00 H new ATOM 0 HA ALA A 95 -13.837 23.405 -12.704 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -12.386 23.161 -10.675 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -13.630 24.401 -10.391 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -13.822 22.774 -9.696 1.00 0.00 H new ATOM 1517 N TYR A 96 -12.894 21.068 -12.736 1.00 0.00 N ATOM 1518 CA TYR A 96 -12.579 19.645 -13.031 1.00 0.00 C ATOM 1519 C TYR A 96 -11.206 19.301 -12.446 1.00 0.00 C ATOM 1520 O TYR A 96 -10.196 19.828 -12.868 1.00 0.00 O ATOM 1521 CB TYR A 96 -12.550 19.568 -14.560 1.00 0.00 C ATOM 1522 CG TYR A 96 -12.215 18.164 -15.009 1.00 0.00 C ATOM 1523 CD1 TYR A 96 -12.249 17.100 -14.096 1.00 0.00 C ATOM 1524 CD2 TYR A 96 -11.867 17.927 -16.345 1.00 0.00 C ATOM 1525 CE1 TYR A 96 -11.936 15.803 -14.521 1.00 0.00 C ATOM 1526 CE2 TYR A 96 -11.553 16.629 -16.768 1.00 0.00 C ATOM 1527 CZ TYR A 96 -11.588 15.568 -15.856 1.00 0.00 C ATOM 1528 OH TYR A 96 -11.277 14.289 -16.273 1.00 0.00 O ATOM 0 H TYR A 96 -12.215 21.738 -13.096 1.00 0.00 H new ATOM 0 HA TYR A 96 -13.299 18.947 -12.603 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -13.518 19.865 -14.964 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -11.812 20.268 -14.952 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -12.517 17.281 -13.065 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -11.841 18.745 -17.049 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -11.963 14.983 -13.818 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -11.284 16.447 -17.798 1.00 0.00 H new ATOM 0 HH TYR A 96 -11.059 14.300 -17.228 1.00 0.00 H new ATOM 1538 N LEU A 97 -11.157 18.440 -11.469 1.00 0.00 N ATOM 1539 CA LEU A 97 -9.842 18.095 -10.858 1.00 0.00 C ATOM 1540 C LEU A 97 -9.616 16.580 -10.859 1.00 0.00 C ATOM 1541 O LEU A 97 -9.885 15.912 -9.880 1.00 0.00 O ATOM 1542 CB LEU A 97 -9.931 18.621 -9.424 1.00 0.00 C ATOM 1543 CG LEU A 97 -9.201 19.960 -9.324 1.00 0.00 C ATOM 1544 CD1 LEU A 97 -10.211 21.080 -9.065 1.00 0.00 C ATOM 1545 CD2 LEU A 97 -8.203 19.905 -8.167 1.00 0.00 C ATOM 0 H LEU A 97 -11.964 17.962 -11.068 1.00 0.00 H new ATOM 0 HA LEU A 97 -9.009 18.530 -11.411 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -10.975 18.742 -9.134 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.490 17.902 -8.734 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.675 20.156 -10.258 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -9.687 22.033 -8.994 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -10.928 21.120 -9.885 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -10.738 20.886 -8.131 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -7.680 20.858 -8.092 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -8.735 19.709 -7.236 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -7.481 19.108 -8.347 1.00 0.00 H new ATOM 1557 N PRO A 98 -9.116 16.094 -11.963 1.00 0.00 N ATOM 1558 CA PRO A 98 -8.831 14.646 -12.099 1.00 0.00 C ATOM 1559 C PRO A 98 -7.536 14.295 -11.361 1.00 0.00 C ATOM 1560 O PRO A 98 -6.473 14.779 -11.693 1.00 0.00 O ATOM 1561 CB PRO A 98 -8.662 14.455 -13.602 1.00 0.00 C ATOM 1562 CG PRO A 98 -8.244 15.794 -14.127 1.00 0.00 C ATOM 1563 CD PRO A 98 -8.774 16.841 -13.178 1.00 0.00 C ATOM 0 HA PRO A 98 -9.611 14.011 -11.678 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -7.911 13.695 -13.820 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -9.593 14.125 -14.063 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -7.158 15.856 -14.198 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -8.638 15.952 -15.131 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -8.027 17.608 -12.975 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -9.646 17.347 -13.592 1.00 0.00 H new ATOM 1571 N ALA A 99 -7.612 13.462 -10.361 1.00 0.00 N ATOM 1572 CA ALA A 99 -6.378 13.094 -9.609 1.00 0.00 C ATOM 1573 C ALA A 99 -5.520 12.128 -10.430 1.00 0.00 C ATOM 1574 O ALA A 99 -5.759 11.912 -11.602 1.00 0.00 O ATOM 1575 CB ALA A 99 -6.878 12.415 -8.338 1.00 0.00 C ATOM 0 H ALA A 99 -8.471 13.021 -10.032 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.755 13.962 -9.392 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -6.027 12.113 -7.728 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -7.500 13.111 -7.774 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.465 11.535 -8.602 1.00 0.00 H new ATOM 1581 N VAL A 100 -4.522 11.543 -9.824 1.00 0.00 N ATOM 1582 CA VAL A 100 -3.652 10.587 -10.576 1.00 0.00 C ATOM 1583 C VAL A 100 -3.812 9.163 -10.019 1.00 0.00 C ATOM 1584 O VAL A 100 -4.162 8.249 -10.739 1.00 0.00 O ATOM 1585 CB VAL A 100 -2.202 11.088 -10.412 1.00 0.00 C ATOM 1586 CG1 VAL A 100 -1.833 11.977 -11.605 1.00 0.00 C ATOM 1587 CG2 VAL A 100 -2.045 11.900 -9.120 1.00 0.00 C ATOM 0 H VAL A 100 -4.271 11.683 -8.845 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.928 10.546 -11.630 1.00 0.00 H new ATOM 0 HB VAL A 100 -1.543 10.221 -10.365 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -0.809 12.332 -11.491 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -1.917 11.402 -12.527 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.510 12.830 -11.646 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -1.014 12.242 -9.028 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.712 12.762 -9.149 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -2.298 11.274 -8.264 1.00 0.00 H new ATOM 1597 N PHE A 101 -3.568 8.959 -8.749 1.00 0.00 N ATOM 1598 CA PHE A 101 -3.721 7.584 -8.178 1.00 0.00 C ATOM 1599 C PHE A 101 -5.021 7.473 -7.377 1.00 0.00 C ATOM 1600 O PHE A 101 -5.628 6.422 -7.310 1.00 0.00 O ATOM 1601 CB PHE A 101 -2.526 7.388 -7.244 1.00 0.00 C ATOM 1602 CG PHE A 101 -1.236 7.373 -8.028 1.00 0.00 C ATOM 1603 CD1 PHE A 101 -1.226 7.001 -9.379 1.00 0.00 C ATOM 1604 CD2 PHE A 101 -0.042 7.725 -7.393 1.00 0.00 C ATOM 1605 CE1 PHE A 101 -0.020 6.985 -10.089 1.00 0.00 C ATOM 1606 CE2 PHE A 101 1.163 7.710 -8.102 1.00 0.00 C ATOM 1607 CZ PHE A 101 1.175 7.339 -9.450 1.00 0.00 C ATOM 0 H PHE A 101 -3.272 9.677 -8.087 1.00 0.00 H new ATOM 0 HA PHE A 101 -3.757 6.832 -8.966 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -2.500 8.189 -6.505 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -2.636 6.452 -6.696 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -2.147 6.727 -9.871 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -0.050 8.010 -6.351 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -0.011 6.699 -11.131 1.00 0.00 H new ATOM 0 HE2 PHE A 101 2.084 7.985 -7.609 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.105 7.325 -9.998 1.00 0.00 H new ATOM 1617 N GLU A 102 -5.445 8.537 -6.759 1.00 0.00 N ATOM 1618 CA GLU A 102 -6.699 8.474 -5.951 1.00 0.00 C ATOM 1619 C GLU A 102 -7.927 8.574 -6.854 1.00 0.00 C ATOM 1620 O GLU A 102 -7.872 9.117 -7.940 1.00 0.00 O ATOM 1621 CB GLU A 102 -6.630 9.675 -5.006 1.00 0.00 C ATOM 1622 CG GLU A 102 -6.284 10.934 -5.801 1.00 0.00 C ATOM 1623 CD GLU A 102 -7.313 12.027 -5.506 1.00 0.00 C ATOM 1624 OE1 GLU A 102 -8.351 12.025 -6.148 1.00 0.00 O ATOM 1625 OE2 GLU A 102 -7.046 12.848 -4.644 1.00 0.00 O ATOM 0 H GLU A 102 -4.982 9.446 -6.776 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.784 7.533 -5.408 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -7.585 9.805 -4.497 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -5.879 9.501 -4.235 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -5.285 11.280 -5.536 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -6.272 10.711 -6.868 1.00 0.00 H new ATOM 1632 N GLU A 103 -9.036 8.048 -6.411 1.00 0.00 N ATOM 1633 CA GLU A 103 -10.273 8.105 -7.240 1.00 0.00 C ATOM 1634 C GLU A 103 -11.437 8.659 -6.415 1.00 0.00 C ATOM 1635 O GLU A 103 -11.353 8.773 -5.208 1.00 0.00 O ATOM 1636 CB GLU A 103 -10.544 6.656 -7.642 1.00 0.00 C ATOM 1637 CG GLU A 103 -11.115 6.618 -9.060 1.00 0.00 C ATOM 1638 CD GLU A 103 -10.110 7.237 -10.033 1.00 0.00 C ATOM 1639 OE1 GLU A 103 -8.921 7.129 -9.774 1.00 0.00 O ATOM 1640 OE2 GLU A 103 -10.544 7.808 -11.020 1.00 0.00 O ATOM 0 H GLU A 103 -9.139 7.581 -5.510 1.00 0.00 H new ATOM 0 HA GLU A 103 -10.161 8.756 -8.107 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -9.623 6.076 -7.594 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -11.245 6.199 -6.944 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -11.330 5.589 -9.349 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.058 7.164 -9.098 1.00 0.00 H new ATOM 1647 N VAL A 104 -12.523 9.002 -7.052 1.00 0.00 N ATOM 1648 CA VAL A 104 -13.686 9.545 -6.293 1.00 0.00 C ATOM 1649 C VAL A 104 -14.361 8.432 -5.492 1.00 0.00 C ATOM 1650 O VAL A 104 -14.319 7.274 -5.857 1.00 0.00 O ATOM 1651 CB VAL A 104 -14.643 10.094 -7.352 1.00 0.00 C ATOM 1652 CG1 VAL A 104 -13.886 11.039 -8.282 1.00 0.00 C ATOM 1653 CG2 VAL A 104 -15.232 8.938 -8.164 1.00 0.00 C ATOM 0 H VAL A 104 -12.656 8.930 -8.061 1.00 0.00 H new ATOM 0 HA VAL A 104 -13.384 10.314 -5.582 1.00 0.00 H new ATOM 0 HB VAL A 104 -15.451 10.637 -6.862 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -14.568 11.430 -9.037 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -13.473 11.865 -7.703 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -13.076 10.497 -8.771 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -15.913 9.333 -8.918 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -14.427 8.390 -8.654 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -15.776 8.266 -7.499 1.00 0.00 H new ATOM 1663 N LEU A 105 -14.988 8.776 -4.403 1.00 0.00 N ATOM 1664 CA LEU A 105 -15.674 7.744 -3.582 1.00 0.00 C ATOM 1665 C LEU A 105 -17.173 7.762 -3.883 1.00 0.00 C ATOM 1666 O LEU A 105 -17.898 6.852 -3.538 1.00 0.00 O ATOM 1667 CB LEU A 105 -15.416 8.156 -2.131 1.00 0.00 C ATOM 1668 CG LEU A 105 -14.025 7.687 -1.691 1.00 0.00 C ATOM 1669 CD1 LEU A 105 -13.008 7.950 -2.805 1.00 0.00 C ATOM 1670 CD2 LEU A 105 -13.611 8.458 -0.438 1.00 0.00 C ATOM 0 H LEU A 105 -15.055 9.729 -4.046 1.00 0.00 H new ATOM 0 HA LEU A 105 -15.312 6.737 -3.788 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -15.491 9.239 -2.033 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -16.177 7.724 -1.481 1.00 0.00 H new ATOM 0 HG LEU A 105 -14.055 6.618 -1.479 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -12.022 7.614 -2.484 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -13.303 7.406 -3.702 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -12.974 9.018 -3.022 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -12.622 8.130 -0.119 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -13.585 9.525 -0.659 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -14.330 8.270 0.359 1.00 0.00 H new ATOM 1682 N ASP A 106 -17.637 8.802 -4.527 1.00 0.00 N ATOM 1683 CA ASP A 106 -19.092 8.900 -4.857 1.00 0.00 C ATOM 1684 C ASP A 106 -19.444 10.331 -5.268 1.00 0.00 C ATOM 1685 O ASP A 106 -18.581 11.157 -5.484 1.00 0.00 O ATOM 1686 CB ASP A 106 -19.843 8.526 -3.572 1.00 0.00 C ATOM 1687 CG ASP A 106 -19.116 9.105 -2.356 1.00 0.00 C ATOM 1688 OD1 ASP A 106 -18.629 10.218 -2.457 1.00 0.00 O ATOM 1689 OD2 ASP A 106 -19.060 8.425 -1.345 1.00 0.00 O ATOM 0 H ASP A 106 -17.070 9.590 -4.840 1.00 0.00 H new ATOM 0 HA ASP A 106 -19.358 8.243 -5.685 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -20.863 8.908 -3.612 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -19.912 7.442 -3.483 1.00 0.00 H new ATOM 1694 N LEU A 107 -20.711 10.628 -5.366 1.00 0.00 N ATOM 1695 CA LEU A 107 -21.140 12.004 -5.750 1.00 0.00 C ATOM 1696 C LEU A 107 -22.132 12.535 -4.714 1.00 0.00 C ATOM 1697 O LEU A 107 -23.204 11.991 -4.541 1.00 0.00 O ATOM 1698 CB LEU A 107 -21.823 11.837 -7.110 1.00 0.00 C ATOM 1699 CG LEU A 107 -20.947 12.445 -8.205 1.00 0.00 C ATOM 1700 CD1 LEU A 107 -20.900 13.963 -8.036 1.00 0.00 C ATOM 1701 CD2 LEU A 107 -19.531 11.875 -8.097 1.00 0.00 C ATOM 0 H LEU A 107 -21.473 9.972 -5.195 1.00 0.00 H new ATOM 0 HA LEU A 107 -20.309 12.708 -5.798 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -21.995 10.780 -7.314 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -22.799 12.323 -7.100 1.00 0.00 H new ATOM 0 HG LEU A 107 -21.364 12.202 -9.182 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -20.275 14.397 -8.817 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -21.909 14.369 -8.111 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -20.482 14.208 -7.059 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -18.904 12.307 -8.877 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -19.114 12.119 -7.120 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -19.565 10.792 -8.217 1.00 0.00 H new ATOM 1713 N VAL A 108 -21.789 13.580 -4.007 1.00 0.00 N ATOM 1714 CA VAL A 108 -22.736 14.104 -2.977 1.00 0.00 C ATOM 1715 C VAL A 108 -23.209 15.517 -3.333 1.00 0.00 C ATOM 1716 O VAL A 108 -22.494 16.484 -3.158 1.00 0.00 O ATOM 1717 CB VAL A 108 -21.937 14.118 -1.676 1.00 0.00 C ATOM 1718 CG1 VAL A 108 -20.555 14.716 -1.937 1.00 0.00 C ATOM 1719 CG2 VAL A 108 -22.675 14.963 -0.635 1.00 0.00 C ATOM 0 H VAL A 108 -20.908 14.087 -4.095 1.00 0.00 H new ATOM 0 HA VAL A 108 -23.633 13.490 -2.903 1.00 0.00 H new ATOM 0 HB VAL A 108 -21.827 13.100 -1.303 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -19.982 14.727 -1.010 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -20.032 14.113 -2.679 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -20.664 15.735 -2.309 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -22.106 14.974 0.295 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -22.785 15.982 -1.005 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -23.661 14.535 -0.452 1.00 0.00 H new ATOM 1729 N ASP A 109 -24.414 15.644 -3.820 1.00 0.00 N ATOM 1730 CA ASP A 109 -24.938 16.994 -4.175 1.00 0.00 C ATOM 1731 C ASP A 109 -25.321 17.761 -2.906 1.00 0.00 C ATOM 1732 O ASP A 109 -26.214 17.373 -2.182 1.00 0.00 O ATOM 1733 CB ASP A 109 -26.172 16.729 -5.038 1.00 0.00 C ATOM 1734 CG ASP A 109 -26.313 17.844 -6.075 1.00 0.00 C ATOM 1735 OD1 ASP A 109 -25.326 18.153 -6.722 1.00 0.00 O ATOM 1736 OD2 ASP A 109 -27.406 18.371 -6.205 1.00 0.00 O ATOM 0 H ASP A 109 -25.058 14.871 -3.987 1.00 0.00 H new ATOM 0 HA ASP A 109 -24.199 17.599 -4.701 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -26.081 15.763 -5.536 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -27.064 16.683 -4.413 1.00 0.00 H new ATOM 1741 N ALA A 110 -24.647 18.844 -2.630 1.00 0.00 N ATOM 1742 CA ALA A 110 -24.969 19.631 -1.404 1.00 0.00 C ATOM 1743 C ALA A 110 -26.475 19.906 -1.320 1.00 0.00 C ATOM 1744 O ALA A 110 -27.093 20.332 -2.275 1.00 0.00 O ATOM 1745 CB ALA A 110 -24.192 20.940 -1.560 1.00 0.00 C ATOM 0 H ALA A 110 -23.888 19.218 -3.199 1.00 0.00 H new ATOM 0 HA ALA A 110 -24.698 19.099 -0.492 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -24.376 21.578 -0.695 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -23.126 20.724 -1.631 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -24.520 21.452 -2.465 1.00 0.00 H new