USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 741 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 63 THR OG1 : rot 180:sc= 0.281 USER MOD Set 1.2: A 75 SER OG : rot 114:sc= 0.162 USER MOD Set 2.1: A 50 THR OG1 : rot 180:sc= 0.00865 USER MOD Set 2.2: A 51 ASN : amide:sc= -0.837 K(o=-0.83,f=-3.2!) USER MOD Set 3.1: A 29 THR OG1 : rot 103:sc= -0.139! USER MOD Set 3.2: A 34 MET CE :methyl -177:sc= 0 (180deg=-0.00766) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 162:sc= -0.3 (180deg=-1.11) USER MOD Single : A 14 LYS NZ :NH3+ -152:sc= -0.282 (180deg=-1.34!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot 180:sc= -0.771 USER MOD Single : A 39 LYS NZ :NH3+ 158:sc= -0.0615 (180deg=-0.637) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.543 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.167 K(o=-0.17,f=-1.2) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -160:sc=-0.00705 (180deg=-0.233) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 158:sc= -0.154 (180deg=-1.02) USER MOD Single : A 61 SER OG : rot 180:sc= -0.578 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -1.91! C(o=-1.9!,f=-8!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -91:sc= 0.92 USER MOD Single : A 77 GLN : amide:sc= -0.456 K(o=-0.46,f=-2.3!) USER MOD Single : A 78 THR OG1 : rot 39:sc= -0.109 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -3.81 K(o=-3.8,f=-2.4) USER MOD Single : A 86 GLN : amide:sc= -0.0625 K(o=-0.063,f=-2.1!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot -30:sc= 0.563 USER MOD ----------------------------------------------------------------- ATOM 86 N VAL A 6 90.371 5.430 -10.214 1.00 0.00 N ATOM 87 CA VAL A 6 89.917 4.734 -8.965 1.00 0.00 C ATOM 88 C VAL A 6 88.848 3.695 -9.322 1.00 0.00 C ATOM 89 O VAL A 6 87.962 3.953 -10.113 1.00 0.00 O ATOM 90 CB VAL A 6 89.324 5.768 -8.005 1.00 0.00 C ATOM 91 CG1 VAL A 6 88.827 5.068 -6.740 1.00 0.00 C ATOM 92 CG2 VAL A 6 90.400 6.788 -7.630 1.00 0.00 C ATOM 0 HA VAL A 6 90.762 4.235 -8.491 1.00 0.00 H new ATOM 0 HB VAL A 6 88.490 6.276 -8.490 1.00 0.00 H new ATOM 0 HG11 VAL A 6 88.405 5.806 -6.058 1.00 0.00 H new ATOM 0 HG12 VAL A 6 88.061 4.339 -7.005 1.00 0.00 H new ATOM 0 HG13 VAL A 6 89.660 4.559 -6.255 1.00 0.00 H new ATOM 0 HG21 VAL A 6 89.980 7.526 -6.946 1.00 0.00 H new ATOM 0 HG22 VAL A 6 91.233 6.277 -7.146 1.00 0.00 H new ATOM 0 HG23 VAL A 6 90.756 7.289 -8.530 1.00 0.00 H new ATOM 102 N SER A 7 88.922 2.518 -8.750 1.00 0.00 N ATOM 103 CA SER A 7 87.908 1.465 -9.065 1.00 0.00 C ATOM 104 C SER A 7 86.719 1.583 -8.111 1.00 0.00 C ATOM 105 O SER A 7 86.760 1.130 -6.986 1.00 0.00 O ATOM 106 CB SER A 7 88.535 0.085 -8.909 1.00 0.00 C ATOM 107 OG SER A 7 89.804 0.067 -9.551 1.00 0.00 O ATOM 0 H SER A 7 89.640 2.242 -8.080 1.00 0.00 H new ATOM 0 HA SER A 7 87.566 1.601 -10.091 1.00 0.00 H new ATOM 0 HB2 SER A 7 88.646 -0.159 -7.852 1.00 0.00 H new ATOM 0 HB3 SER A 7 87.884 -0.673 -9.344 1.00 0.00 H new ATOM 0 HG SER A 7 90.209 -0.820 -9.450 1.00 0.00 H new ATOM 113 N PHE A 8 85.661 2.183 -8.569 1.00 0.00 N ATOM 114 CA PHE A 8 84.444 2.349 -7.719 1.00 0.00 C ATOM 115 C PHE A 8 83.586 1.080 -7.785 1.00 0.00 C ATOM 116 O PHE A 8 83.135 0.680 -8.840 1.00 0.00 O ATOM 117 CB PHE A 8 83.637 3.536 -8.248 1.00 0.00 C ATOM 118 CG PHE A 8 83.564 3.469 -9.756 1.00 0.00 C ATOM 119 CD1 PHE A 8 84.593 4.018 -10.530 1.00 0.00 C ATOM 120 CD2 PHE A 8 82.466 2.862 -10.379 1.00 0.00 C ATOM 121 CE1 PHE A 8 84.524 3.960 -11.927 1.00 0.00 C ATOM 122 CE2 PHE A 8 82.398 2.805 -11.776 1.00 0.00 C ATOM 123 CZ PHE A 8 83.427 3.354 -12.550 1.00 0.00 C ATOM 0 H PHE A 8 85.582 2.572 -9.508 1.00 0.00 H new ATOM 0 HA PHE A 8 84.738 2.525 -6.684 1.00 0.00 H new ATOM 0 HB2 PHE A 8 82.633 3.523 -7.825 1.00 0.00 H new ATOM 0 HB3 PHE A 8 84.102 4.472 -7.938 1.00 0.00 H new ATOM 0 HD1 PHE A 8 85.440 4.486 -10.050 1.00 0.00 H new ATOM 0 HD2 PHE A 8 81.672 2.438 -9.782 1.00 0.00 H new ATOM 0 HE1 PHE A 8 85.318 4.383 -12.524 1.00 0.00 H new ATOM 0 HE2 PHE A 8 81.551 2.337 -12.257 1.00 0.00 H new ATOM 0 HZ PHE A 8 83.374 3.310 -13.628 1.00 0.00 H new ATOM 133 N PHE A 9 83.348 0.452 -6.659 1.00 0.00 N ATOM 134 CA PHE A 9 82.506 -0.787 -6.635 1.00 0.00 C ATOM 135 C PHE A 9 81.133 -0.435 -6.053 1.00 0.00 C ATOM 136 O PHE A 9 81.034 0.268 -5.067 1.00 0.00 O ATOM 137 CB PHE A 9 83.174 -1.843 -5.739 1.00 0.00 C ATOM 138 CG PHE A 9 84.264 -2.568 -6.500 1.00 0.00 C ATOM 139 CD1 PHE A 9 85.497 -1.944 -6.720 1.00 0.00 C ATOM 140 CD2 PHE A 9 84.044 -3.869 -6.974 1.00 0.00 C ATOM 141 CE1 PHE A 9 86.510 -2.619 -7.413 1.00 0.00 C ATOM 142 CE2 PHE A 9 85.057 -4.543 -7.668 1.00 0.00 C ATOM 143 CZ PHE A 9 86.289 -3.918 -7.888 1.00 0.00 C ATOM 0 H PHE A 9 83.703 0.746 -5.749 1.00 0.00 H new ATOM 0 HA PHE A 9 82.399 -1.182 -7.645 1.00 0.00 H new ATOM 0 HB2 PHE A 9 83.595 -1.365 -4.855 1.00 0.00 H new ATOM 0 HB3 PHE A 9 82.428 -2.557 -5.390 1.00 0.00 H new ATOM 0 HD1 PHE A 9 85.668 -0.942 -6.355 1.00 0.00 H new ATOM 0 HD2 PHE A 9 83.093 -4.352 -6.804 1.00 0.00 H new ATOM 0 HE1 PHE A 9 87.462 -2.138 -7.581 1.00 0.00 H new ATOM 0 HE2 PHE A 9 84.887 -5.545 -8.033 1.00 0.00 H new ATOM 0 HZ PHE A 9 87.070 -4.437 -8.424 1.00 0.00 H new ATOM 153 N LEU A 10 80.072 -0.919 -6.643 1.00 0.00 N ATOM 154 CA LEU A 10 78.719 -0.607 -6.098 1.00 0.00 C ATOM 155 C LEU A 10 78.412 -1.557 -4.951 1.00 0.00 C ATOM 156 O LEU A 10 78.475 -2.763 -5.084 1.00 0.00 O ATOM 157 CB LEU A 10 77.654 -0.755 -7.197 1.00 0.00 C ATOM 158 CG LEU A 10 76.218 -0.725 -6.581 1.00 0.00 C ATOM 159 CD1 LEU A 10 75.282 0.106 -7.465 1.00 0.00 C ATOM 160 CD2 LEU A 10 75.652 -2.150 -6.477 1.00 0.00 C ATOM 0 H LEU A 10 80.083 -1.512 -7.473 1.00 0.00 H new ATOM 0 HA LEU A 10 78.705 0.422 -5.738 1.00 0.00 H new ATOM 0 HB2 LEU A 10 77.760 0.050 -7.924 1.00 0.00 H new ATOM 0 HB3 LEU A 10 77.806 -1.692 -7.734 1.00 0.00 H new ATOM 0 HG LEU A 10 76.284 -0.281 -5.588 1.00 0.00 H new ATOM 0 HD11 LEU A 10 74.284 0.120 -7.026 1.00 0.00 H new ATOM 0 HD12 LEU A 10 75.661 1.126 -7.538 1.00 0.00 H new ATOM 0 HD13 LEU A 10 75.234 -0.336 -8.460 1.00 0.00 H new ATOM 0 HD21 LEU A 10 74.651 -2.114 -6.046 1.00 0.00 H new ATOM 0 HD22 LEU A 10 75.603 -2.596 -7.471 1.00 0.00 H new ATOM 0 HD23 LEU A 10 76.299 -2.753 -5.840 1.00 0.00 H new ATOM 172 N VAL A 11 78.071 -1.007 -3.825 1.00 0.00 N ATOM 173 CA VAL A 11 77.735 -1.835 -2.639 1.00 0.00 C ATOM 174 C VAL A 11 76.515 -1.211 -1.976 1.00 0.00 C ATOM 175 O VAL A 11 76.274 -0.028 -2.110 1.00 0.00 O ATOM 176 CB VAL A 11 78.915 -1.835 -1.668 1.00 0.00 C ATOM 177 CG1 VAL A 11 80.174 -2.329 -2.392 1.00 0.00 C ATOM 178 CG2 VAL A 11 79.150 -0.412 -1.147 1.00 0.00 C ATOM 0 H VAL A 11 78.010 -0.000 -3.673 1.00 0.00 H new ATOM 0 HA VAL A 11 77.525 -2.865 -2.929 1.00 0.00 H new ATOM 0 HB VAL A 11 78.695 -2.496 -0.830 1.00 0.00 H new ATOM 0 HG11 VAL A 11 81.016 -2.329 -1.699 1.00 0.00 H new ATOM 0 HG12 VAL A 11 80.008 -3.341 -2.761 1.00 0.00 H new ATOM 0 HG13 VAL A 11 80.394 -1.668 -3.231 1.00 0.00 H new ATOM 0 HG21 VAL A 11 79.992 -0.412 -0.454 1.00 0.00 H new ATOM 0 HG22 VAL A 11 79.369 0.250 -1.984 1.00 0.00 H new ATOM 0 HG23 VAL A 11 78.256 -0.061 -0.631 1.00 0.00 H new ATOM 188 N LYS A 12 75.739 -1.987 -1.268 1.00 0.00 N ATOM 189 CA LYS A 12 74.522 -1.429 -0.602 1.00 0.00 C ATOM 190 C LYS A 12 74.776 -1.351 0.899 1.00 0.00 C ATOM 191 O LYS A 12 75.503 -2.145 1.462 1.00 0.00 O ATOM 192 CB LYS A 12 73.308 -2.343 -0.899 1.00 0.00 C ATOM 193 CG LYS A 12 72.413 -1.704 -1.970 1.00 0.00 C ATOM 194 CD LYS A 12 71.332 -2.699 -2.389 1.00 0.00 C ATOM 195 CE LYS A 12 70.440 -2.063 -3.456 1.00 0.00 C ATOM 196 NZ LYS A 12 71.292 -1.468 -4.525 1.00 0.00 N ATOM 0 H LYS A 12 75.894 -2.984 -1.121 1.00 0.00 H new ATOM 0 HA LYS A 12 74.307 -0.430 -0.982 1.00 0.00 H new ATOM 0 HB2 LYS A 12 73.653 -3.320 -1.238 1.00 0.00 H new ATOM 0 HB3 LYS A 12 72.735 -2.507 0.014 1.00 0.00 H new ATOM 0 HG2 LYS A 12 71.955 -0.795 -1.581 1.00 0.00 H new ATOM 0 HG3 LYS A 12 73.011 -1.415 -2.834 1.00 0.00 H new ATOM 0 HD2 LYS A 12 71.791 -3.608 -2.778 1.00 0.00 H new ATOM 0 HD3 LYS A 12 70.734 -2.988 -1.525 1.00 0.00 H new ATOM 0 HE2 LYS A 12 69.774 -2.813 -3.882 1.00 0.00 H new ATOM 0 HE3 LYS A 12 69.810 -1.294 -3.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 70.719 -1.312 -5.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 71.678 -0.560 -4.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 72.074 -2.116 -4.747 1.00 0.00 H new ATOM 210 N GLU A 13 74.177 -0.386 1.543 1.00 0.00 N ATOM 211 CA GLU A 13 74.361 -0.216 3.015 1.00 0.00 C ATOM 212 C GLU A 13 72.993 -0.175 3.685 1.00 0.00 C ATOM 213 O GLU A 13 71.993 0.090 3.052 1.00 0.00 O ATOM 214 CB GLU A 13 75.097 1.097 3.281 1.00 0.00 C ATOM 215 CG GLU A 13 76.258 1.236 2.294 1.00 0.00 C ATOM 216 CD GLU A 13 77.225 2.316 2.785 1.00 0.00 C ATOM 217 OE1 GLU A 13 76.884 3.000 3.736 1.00 0.00 O ATOM 218 OE2 GLU A 13 78.289 2.441 2.201 1.00 0.00 O ATOM 0 H GLU A 13 73.561 0.300 1.108 1.00 0.00 H new ATOM 0 HA GLU A 13 74.942 -1.047 3.416 1.00 0.00 H new ATOM 0 HB2 GLU A 13 74.412 1.939 3.175 1.00 0.00 H new ATOM 0 HB3 GLU A 13 75.471 1.117 4.305 1.00 0.00 H new ATOM 0 HG2 GLU A 13 76.780 0.284 2.195 1.00 0.00 H new ATOM 0 HG3 GLU A 13 75.879 1.496 1.306 1.00 0.00 H new ATOM 225 N LYS A 14 72.943 -0.430 4.962 1.00 0.00 N ATOM 226 CA LYS A 14 71.641 -0.406 5.691 1.00 0.00 C ATOM 227 C LYS A 14 71.509 0.924 6.428 1.00 0.00 C ATOM 228 O LYS A 14 72.335 1.289 7.242 1.00 0.00 O ATOM 229 CB LYS A 14 71.597 -1.569 6.700 1.00 0.00 C ATOM 230 CG LYS A 14 71.041 -2.830 6.027 1.00 0.00 C ATOM 231 CD LYS A 14 71.872 -3.165 4.786 1.00 0.00 C ATOM 232 CE LYS A 14 71.493 -4.561 4.287 1.00 0.00 C ATOM 233 NZ LYS A 14 71.700 -5.551 5.381 1.00 0.00 N ATOM 0 H LYS A 14 73.754 -0.656 5.538 1.00 0.00 H new ATOM 0 HA LYS A 14 70.818 -0.515 4.985 1.00 0.00 H new ATOM 0 HB2 LYS A 14 72.598 -1.764 7.085 1.00 0.00 H new ATOM 0 HB3 LYS A 14 70.974 -1.298 7.553 1.00 0.00 H new ATOM 0 HG2 LYS A 14 71.062 -3.666 6.726 1.00 0.00 H new ATOM 0 HG3 LYS A 14 69.999 -2.675 5.747 1.00 0.00 H new ATOM 0 HD2 LYS A 14 71.694 -2.426 4.005 1.00 0.00 H new ATOM 0 HD3 LYS A 14 72.935 -3.127 5.025 1.00 0.00 H new ATOM 0 HE2 LYS A 14 70.452 -4.573 3.963 1.00 0.00 H new ATOM 0 HE3 LYS A 14 72.100 -4.827 3.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 71.911 -6.483 4.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 72.496 -5.247 5.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 70.838 -5.615 5.959 1.00 0.00 H new ATOM 351 N LEU A 21 67.792 -0.555 2.021 1.00 0.00 N ATOM 352 CA LEU A 21 69.264 -0.560 1.761 1.00 0.00 C ATOM 353 C LEU A 21 69.613 0.713 0.993 1.00 0.00 C ATOM 354 O LEU A 21 68.759 1.319 0.375 1.00 0.00 O ATOM 355 CB LEU A 21 69.680 -1.784 0.916 1.00 0.00 C ATOM 356 CG LEU A 21 68.898 -3.049 1.346 1.00 0.00 C ATOM 357 CD1 LEU A 21 67.626 -3.194 0.500 1.00 0.00 C ATOM 358 CD2 LEU A 21 69.764 -4.303 1.147 1.00 0.00 C ATOM 0 HA LEU A 21 69.793 -0.608 2.713 1.00 0.00 H new ATOM 0 HB2 LEU A 21 69.497 -1.581 -0.139 1.00 0.00 H new ATOM 0 HB3 LEU A 21 70.750 -1.959 1.026 1.00 0.00 H new ATOM 0 HG LEU A 21 68.635 -2.947 2.399 1.00 0.00 H new ATOM 0 HD11 LEU A 21 67.083 -4.087 0.810 1.00 0.00 H new ATOM 0 HD12 LEU A 21 66.994 -2.317 0.640 1.00 0.00 H new ATOM 0 HD13 LEU A 21 67.897 -3.281 -0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 21 69.202 -5.185 1.453 1.00 0.00 H new ATOM 0 HD22 LEU A 21 70.037 -4.393 0.096 1.00 0.00 H new ATOM 0 HD23 LEU A 21 70.668 -4.221 1.751 1.00 0.00 H new ATOM 370 N VAL A 22 70.855 1.125 1.027 1.00 0.00 N ATOM 371 CA VAL A 22 71.263 2.371 0.293 1.00 0.00 C ATOM 372 C VAL A 22 72.480 2.053 -0.622 1.00 0.00 C ATOM 373 O VAL A 22 73.539 1.747 -0.111 1.00 0.00 O ATOM 374 CB VAL A 22 71.645 3.443 1.348 1.00 0.00 C ATOM 375 CG1 VAL A 22 72.723 4.397 0.808 1.00 0.00 C ATOM 376 CG2 VAL A 22 70.401 4.264 1.715 1.00 0.00 C ATOM 0 H VAL A 22 71.607 0.655 1.530 1.00 0.00 H new ATOM 0 HA VAL A 22 70.449 2.740 -0.331 1.00 0.00 H new ATOM 0 HB VAL A 22 72.038 2.929 2.225 1.00 0.00 H new ATOM 0 HG11 VAL A 22 72.969 5.136 1.570 1.00 0.00 H new ATOM 0 HG12 VAL A 22 73.617 3.828 0.552 1.00 0.00 H new ATOM 0 HG13 VAL A 22 72.348 4.904 -0.081 1.00 0.00 H new ATOM 0 HG21 VAL A 22 70.668 5.017 2.456 1.00 0.00 H new ATOM 0 HG22 VAL A 22 70.012 4.755 0.823 1.00 0.00 H new ATOM 0 HG23 VAL A 22 69.638 3.604 2.127 1.00 0.00 H new ATOM 386 N PRO A 23 72.331 2.156 -1.944 1.00 0.00 N ATOM 387 CA PRO A 23 73.465 1.902 -2.858 1.00 0.00 C ATOM 388 C PRO A 23 74.641 2.822 -2.509 1.00 0.00 C ATOM 389 O PRO A 23 74.464 3.921 -2.022 1.00 0.00 O ATOM 390 CB PRO A 23 72.915 2.231 -4.263 1.00 0.00 C ATOM 391 CG PRO A 23 71.376 2.305 -4.137 1.00 0.00 C ATOM 392 CD PRO A 23 71.060 2.488 -2.638 1.00 0.00 C ATOM 0 HA PRO A 23 73.835 0.879 -2.792 1.00 0.00 H new ATOM 0 HB2 PRO A 23 73.319 3.177 -4.624 1.00 0.00 H new ATOM 0 HB3 PRO A 23 73.207 1.465 -4.981 1.00 0.00 H new ATOM 0 HG2 PRO A 23 70.980 3.137 -4.720 1.00 0.00 H new ATOM 0 HG3 PRO A 23 70.912 1.397 -4.522 1.00 0.00 H new ATOM 0 HD2 PRO A 23 70.745 3.509 -2.421 1.00 0.00 H new ATOM 0 HD3 PRO A 23 70.251 1.830 -2.320 1.00 0.00 H new ATOM 400 N ARG A 24 75.838 2.372 -2.756 1.00 0.00 N ATOM 401 CA ARG A 24 77.032 3.205 -2.446 1.00 0.00 C ATOM 402 C ARG A 24 78.177 2.790 -3.369 1.00 0.00 C ATOM 403 O ARG A 24 78.308 1.636 -3.723 1.00 0.00 O ATOM 404 CB ARG A 24 77.432 2.980 -0.980 1.00 0.00 C ATOM 405 CG ARG A 24 78.393 4.086 -0.503 1.00 0.00 C ATOM 406 CD ARG A 24 77.596 5.291 0.009 1.00 0.00 C ATOM 407 NE ARG A 24 77.069 4.993 1.371 1.00 0.00 N ATOM 408 CZ ARG A 24 76.615 5.959 2.123 1.00 0.00 C ATOM 409 NH1 ARG A 24 76.633 7.189 1.688 1.00 0.00 N ATOM 410 NH2 ARG A 24 76.142 5.693 3.309 1.00 0.00 N ATOM 0 H ARG A 24 76.042 1.458 -3.161 1.00 0.00 H new ATOM 0 HA ARG A 24 76.808 4.261 -2.599 1.00 0.00 H new ATOM 0 HB2 ARG A 24 76.541 2.969 -0.352 1.00 0.00 H new ATOM 0 HB3 ARG A 24 77.909 2.006 -0.873 1.00 0.00 H new ATOM 0 HG2 ARG A 24 79.037 3.703 0.289 1.00 0.00 H new ATOM 0 HG3 ARG A 24 79.043 4.392 -1.322 1.00 0.00 H new ATOM 0 HD2 ARG A 24 78.232 6.176 0.039 1.00 0.00 H new ATOM 0 HD3 ARG A 24 76.773 5.512 -0.671 1.00 0.00 H new ATOM 0 HE ARG A 24 77.063 4.033 1.716 1.00 0.00 H new ATOM 0 HH11 ARG A 24 77.002 7.396 0.760 1.00 0.00 H new ATOM 0 HH12 ARG A 24 76.278 7.943 2.276 1.00 0.00 H new ATOM 0 HH21 ARG A 24 76.127 4.731 3.648 1.00 0.00 H new ATOM 0 HH22 ARG A 24 75.787 6.447 3.897 1.00 0.00 H new ATOM 424 N LEU A 25 79.017 3.715 -3.748 1.00 0.00 N ATOM 425 CA LEU A 25 80.171 3.380 -4.629 1.00 0.00 C ATOM 426 C LEU A 25 81.416 3.316 -3.742 1.00 0.00 C ATOM 427 O LEU A 25 81.553 4.082 -2.809 1.00 0.00 O ATOM 428 CB LEU A 25 80.318 4.464 -5.697 1.00 0.00 C ATOM 429 CG LEU A 25 79.205 4.325 -6.743 1.00 0.00 C ATOM 430 CD1 LEU A 25 79.229 5.550 -7.662 1.00 0.00 C ATOM 431 CD2 LEU A 25 79.390 3.040 -7.577 1.00 0.00 C ATOM 0 H LEU A 25 78.952 4.698 -3.482 1.00 0.00 H new ATOM 0 HA LEU A 25 80.026 2.425 -5.135 1.00 0.00 H new ATOM 0 HB2 LEU A 25 80.273 5.450 -5.235 1.00 0.00 H new ATOM 0 HB3 LEU A 25 81.293 4.382 -6.178 1.00 0.00 H new ATOM 0 HG LEU A 25 78.245 4.261 -6.232 1.00 0.00 H new ATOM 0 HD11 LEU A 25 78.441 5.460 -8.409 1.00 0.00 H new ATOM 0 HD12 LEU A 25 79.067 6.451 -7.071 1.00 0.00 H new ATOM 0 HD13 LEU A 25 80.196 5.612 -8.161 1.00 0.00 H new ATOM 0 HD21 LEU A 25 78.588 2.964 -8.312 1.00 0.00 H new ATOM 0 HD22 LEU A 25 80.351 3.075 -8.091 1.00 0.00 H new ATOM 0 HD23 LEU A 25 79.362 2.172 -6.919 1.00 0.00 H new ATOM 443 N LEU A 26 82.301 2.383 -3.992 1.00 0.00 N ATOM 444 CA LEU A 26 83.521 2.230 -3.130 1.00 0.00 C ATOM 445 C LEU A 26 84.793 2.257 -3.987 1.00 0.00 C ATOM 446 O LEU A 26 85.086 1.337 -4.724 1.00 0.00 O ATOM 447 CB LEU A 26 83.409 0.890 -2.390 1.00 0.00 C ATOM 448 CG LEU A 26 84.723 0.542 -1.685 1.00 0.00 C ATOM 449 CD1 LEU A 26 85.229 1.743 -0.880 1.00 0.00 C ATOM 450 CD2 LEU A 26 84.482 -0.638 -0.739 1.00 0.00 C ATOM 0 H LEU A 26 82.233 1.715 -4.760 1.00 0.00 H new ATOM 0 HA LEU A 26 83.582 3.054 -2.419 1.00 0.00 H new ATOM 0 HB2 LEU A 26 82.602 0.940 -1.659 1.00 0.00 H new ATOM 0 HB3 LEU A 26 83.151 0.101 -3.096 1.00 0.00 H new ATOM 0 HG LEU A 26 85.472 0.279 -2.432 1.00 0.00 H new ATOM 0 HD11 LEU A 26 86.164 1.481 -0.384 1.00 0.00 H new ATOM 0 HD12 LEU A 26 85.398 2.586 -1.551 1.00 0.00 H new ATOM 0 HD13 LEU A 26 84.486 2.018 -0.131 1.00 0.00 H new ATOM 0 HD21 LEU A 26 85.412 -0.894 -0.232 1.00 0.00 H new ATOM 0 HD22 LEU A 26 83.729 -0.364 0.000 1.00 0.00 H new ATOM 0 HD23 LEU A 26 84.133 -1.497 -1.311 1.00 0.00 H new ATOM 462 N GLY A 27 85.545 3.321 -3.879 1.00 0.00 N ATOM 463 CA GLY A 27 86.808 3.465 -4.664 1.00 0.00 C ATOM 464 C GLY A 27 87.983 2.822 -3.927 1.00 0.00 C ATOM 465 O GLY A 27 88.220 3.084 -2.764 1.00 0.00 O ATOM 0 H GLY A 27 85.333 4.111 -3.269 1.00 0.00 H new ATOM 0 HA2 GLY A 27 86.688 3.000 -5.642 1.00 0.00 H new ATOM 0 HA3 GLY A 27 87.015 4.521 -4.837 1.00 0.00 H new ATOM 469 N ILE A 28 88.733 1.991 -4.614 1.00 0.00 N ATOM 470 CA ILE A 28 89.920 1.323 -3.990 1.00 0.00 C ATOM 471 C ILE A 28 91.193 1.860 -4.650 1.00 0.00 C ATOM 472 O ILE A 28 91.453 1.592 -5.806 1.00 0.00 O ATOM 473 CB ILE A 28 89.860 -0.192 -4.234 1.00 0.00 C ATOM 474 CG1 ILE A 28 88.489 -0.747 -3.826 1.00 0.00 C ATOM 475 CG2 ILE A 28 90.952 -0.879 -3.413 1.00 0.00 C ATOM 476 CD1 ILE A 28 88.136 -0.297 -2.409 1.00 0.00 C ATOM 0 H ILE A 28 88.571 1.745 -5.591 1.00 0.00 H new ATOM 0 HA ILE A 28 89.920 1.525 -2.919 1.00 0.00 H new ATOM 0 HB ILE A 28 90.015 -0.386 -5.295 1.00 0.00 H new ATOM 0 HG12 ILE A 28 87.727 -0.402 -4.525 1.00 0.00 H new ATOM 0 HG13 ILE A 28 88.500 -1.836 -3.877 1.00 0.00 H new ATOM 0 HG21 ILE A 28 90.913 -1.955 -3.583 1.00 0.00 H new ATOM 0 HG22 ILE A 28 91.928 -0.499 -3.715 1.00 0.00 H new ATOM 0 HG23 ILE A 28 90.795 -0.673 -2.354 1.00 0.00 H new ATOM 0 HD11 ILE A 28 87.161 -0.698 -2.132 1.00 0.00 H new ATOM 0 HD12 ILE A 28 88.890 -0.664 -1.712 1.00 0.00 H new ATOM 0 HD13 ILE A 28 88.105 0.792 -2.370 1.00 0.00 H new ATOM 488 N THR A 29 91.996 2.602 -3.927 1.00 0.00 N ATOM 489 CA THR A 29 93.261 3.143 -4.516 1.00 0.00 C ATOM 490 C THR A 29 94.433 2.290 -4.025 1.00 0.00 C ATOM 491 O THR A 29 94.311 1.541 -3.077 1.00 0.00 O ATOM 492 CB THR A 29 93.453 4.603 -4.072 1.00 0.00 C ATOM 493 OG1 THR A 29 92.191 5.253 -4.045 1.00 0.00 O ATOM 494 CG2 THR A 29 94.378 5.330 -5.051 1.00 0.00 C ATOM 0 H THR A 29 91.830 2.857 -2.953 1.00 0.00 H new ATOM 0 HA THR A 29 93.212 3.110 -5.604 1.00 0.00 H new ATOM 0 HB THR A 29 93.900 4.621 -3.078 1.00 0.00 H new ATOM 0 HG1 THR A 29 91.880 5.324 -3.119 1.00 0.00 H new ATOM 0 HG21 THR A 29 94.509 6.363 -4.729 1.00 0.00 H new ATOM 0 HG22 THR A 29 95.347 4.832 -5.074 1.00 0.00 H new ATOM 0 HG23 THR A 29 93.938 5.313 -6.048 1.00 0.00 H new ATOM 502 N LYS A 30 95.563 2.392 -4.663 1.00 0.00 N ATOM 503 CA LYS A 30 96.733 1.581 -4.231 1.00 0.00 C ATOM 504 C LYS A 30 97.332 2.183 -2.961 1.00 0.00 C ATOM 505 O LYS A 30 98.118 1.556 -2.279 1.00 0.00 O ATOM 506 CB LYS A 30 97.783 1.576 -5.346 1.00 0.00 C ATOM 507 CG LYS A 30 98.378 2.983 -5.492 1.00 0.00 C ATOM 508 CD LYS A 30 99.099 3.124 -6.846 1.00 0.00 C ATOM 509 CE LYS A 30 98.099 3.513 -7.944 1.00 0.00 C ATOM 510 NZ LYS A 30 98.838 3.796 -9.207 1.00 0.00 N ATOM 0 H LYS A 30 95.727 3.001 -5.464 1.00 0.00 H new ATOM 0 HA LYS A 30 96.415 0.559 -4.027 1.00 0.00 H new ATOM 0 HB2 LYS A 30 98.570 0.858 -5.116 1.00 0.00 H new ATOM 0 HB3 LYS A 30 97.330 1.261 -6.286 1.00 0.00 H new ATOM 0 HG2 LYS A 30 97.587 3.729 -5.415 1.00 0.00 H new ATOM 0 HG3 LYS A 30 99.078 3.175 -4.679 1.00 0.00 H new ATOM 0 HD2 LYS A 30 99.881 3.880 -6.772 1.00 0.00 H new ATOM 0 HD3 LYS A 30 99.587 2.185 -7.105 1.00 0.00 H new ATOM 0 HE2 LYS A 30 97.383 2.707 -8.101 1.00 0.00 H new ATOM 0 HE3 LYS A 30 97.529 4.390 -7.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 98.163 4.060 -9.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 99.505 4.579 -9.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 99.363 2.947 -9.500 1.00 0.00 H new ATOM 524 N GLU A 31 96.967 3.400 -2.647 1.00 0.00 N ATOM 525 CA GLU A 31 97.508 4.073 -1.425 1.00 0.00 C ATOM 526 C GLU A 31 96.385 4.321 -0.416 1.00 0.00 C ATOM 527 O GLU A 31 96.633 4.745 0.696 1.00 0.00 O ATOM 528 CB GLU A 31 98.113 5.425 -1.822 1.00 0.00 C ATOM 529 CG GLU A 31 99.312 5.226 -2.765 1.00 0.00 C ATOM 530 CD GLU A 31 100.342 6.345 -2.557 1.00 0.00 C ATOM 531 OE1 GLU A 31 99.954 7.500 -2.623 1.00 0.00 O ATOM 532 OE2 GLU A 31 101.498 6.025 -2.334 1.00 0.00 O ATOM 0 H GLU A 31 96.311 3.962 -3.190 1.00 0.00 H new ATOM 0 HA GLU A 31 98.266 3.431 -0.975 1.00 0.00 H new ATOM 0 HB2 GLU A 31 97.356 6.038 -2.311 1.00 0.00 H new ATOM 0 HB3 GLU A 31 98.431 5.963 -0.929 1.00 0.00 H new ATOM 0 HG2 GLU A 31 99.774 4.257 -2.578 1.00 0.00 H new ATOM 0 HG3 GLU A 31 98.973 5.222 -3.801 1.00 0.00 H new ATOM 539 N CYS A 32 95.152 4.084 -0.780 1.00 0.00 N ATOM 540 CA CYS A 32 94.051 4.344 0.193 1.00 0.00 C ATOM 541 C CYS A 32 92.704 3.852 -0.359 1.00 0.00 C ATOM 542 O CYS A 32 92.574 3.503 -1.515 1.00 0.00 O ATOM 543 CB CYS A 32 93.976 5.866 0.460 1.00 0.00 C ATOM 544 SG CYS A 32 94.664 6.767 -0.953 1.00 0.00 S ATOM 0 H CYS A 32 94.863 3.728 -1.691 1.00 0.00 H new ATOM 0 HA CYS A 32 94.257 3.805 1.117 1.00 0.00 H new ATOM 0 HB2 CYS A 32 92.941 6.166 0.626 1.00 0.00 H new ATOM 0 HB3 CYS A 32 94.529 6.114 1.366 1.00 0.00 H new ATOM 0 HG CYS A 32 94.598 8.045 -0.726 1.00 0.00 H new ATOM 550 N VAL A 33 91.696 3.861 0.478 1.00 0.00 N ATOM 551 CA VAL A 33 90.323 3.441 0.055 1.00 0.00 C ATOM 552 C VAL A 33 89.408 4.639 0.284 1.00 0.00 C ATOM 553 O VAL A 33 89.652 5.427 1.177 1.00 0.00 O ATOM 554 CB VAL A 33 89.853 2.266 0.915 1.00 0.00 C ATOM 555 CG1 VAL A 33 88.417 1.902 0.540 1.00 0.00 C ATOM 556 CG2 VAL A 33 90.764 1.060 0.680 1.00 0.00 C ATOM 0 H VAL A 33 91.768 4.147 1.454 1.00 0.00 H new ATOM 0 HA VAL A 33 90.312 3.128 -0.989 1.00 0.00 H new ATOM 0 HB VAL A 33 89.893 2.549 1.967 1.00 0.00 H new ATOM 0 HG11 VAL A 33 88.082 1.065 1.153 1.00 0.00 H new ATOM 0 HG12 VAL A 33 87.767 2.760 0.712 1.00 0.00 H new ATOM 0 HG13 VAL A 33 88.376 1.621 -0.512 1.00 0.00 H new ATOM 0 HG21 VAL A 33 90.427 0.225 1.294 1.00 0.00 H new ATOM 0 HG22 VAL A 33 90.727 0.776 -0.372 1.00 0.00 H new ATOM 0 HG23 VAL A 33 91.788 1.319 0.950 1.00 0.00 H new ATOM 566 N MET A 34 88.377 4.823 -0.512 1.00 0.00 N ATOM 567 CA MET A 34 87.497 6.022 -0.308 1.00 0.00 C ATOM 568 C MET A 34 86.025 5.655 -0.369 1.00 0.00 C ATOM 569 O MET A 34 85.617 4.735 -1.047 1.00 0.00 O ATOM 570 CB MET A 34 87.812 7.072 -1.388 1.00 0.00 C ATOM 571 CG MET A 34 88.166 6.373 -2.714 1.00 0.00 C ATOM 572 SD MET A 34 89.961 6.149 -2.822 1.00 0.00 S ATOM 573 CE MET A 34 90.333 7.693 -3.692 1.00 0.00 C ATOM 0 H MET A 34 88.110 4.207 -1.280 1.00 0.00 H new ATOM 0 HA MET A 34 87.699 6.427 0.684 1.00 0.00 H new ATOM 0 HB2 MET A 34 86.953 7.728 -1.531 1.00 0.00 H new ATOM 0 HB3 MET A 34 88.642 7.700 -1.065 1.00 0.00 H new ATOM 0 HG2 MET A 34 87.665 5.407 -2.773 1.00 0.00 H new ATOM 0 HG3 MET A 34 87.812 6.968 -3.556 1.00 0.00 H new ATOM 0 HE1 MET A 34 91.399 7.738 -3.913 1.00 0.00 H new ATOM 0 HE2 MET A 34 89.768 7.731 -4.623 1.00 0.00 H new ATOM 0 HE3 MET A 34 90.056 8.540 -3.064 1.00 0.00 H new ATOM 583 N ARG A 35 85.221 6.410 0.332 1.00 0.00 N ATOM 584 CA ARG A 35 83.755 6.152 0.318 1.00 0.00 C ATOM 585 C ARG A 35 83.153 7.015 -0.777 1.00 0.00 C ATOM 586 O ARG A 35 83.339 8.216 -0.796 1.00 0.00 O ATOM 587 CB ARG A 35 83.136 6.570 1.650 1.00 0.00 C ATOM 588 CG ARG A 35 83.532 5.579 2.752 1.00 0.00 C ATOM 589 CD ARG A 35 82.664 5.816 4.008 1.00 0.00 C ATOM 590 NE ARG A 35 82.058 7.177 3.967 1.00 0.00 N ATOM 591 CZ ARG A 35 81.048 7.461 4.742 1.00 0.00 C ATOM 592 NH1 ARG A 35 80.563 6.551 5.542 1.00 0.00 N ATOM 593 NH2 ARG A 35 80.521 8.653 4.716 1.00 0.00 N ATOM 0 H ARG A 35 85.518 7.194 0.913 1.00 0.00 H new ATOM 0 HA ARG A 35 83.564 5.092 0.150 1.00 0.00 H new ATOM 0 HB2 ARG A 35 83.470 7.573 1.916 1.00 0.00 H new ATOM 0 HB3 ARG A 35 82.051 6.609 1.559 1.00 0.00 H new ATOM 0 HG2 ARG A 35 83.403 4.556 2.397 1.00 0.00 H new ATOM 0 HG3 ARG A 35 84.587 5.699 3.000 1.00 0.00 H new ATOM 0 HD2 ARG A 35 81.879 5.062 4.064 1.00 0.00 H new ATOM 0 HD3 ARG A 35 83.273 5.708 4.905 1.00 0.00 H new ATOM 0 HE ARG A 35 82.432 7.884 3.335 1.00 0.00 H new ATOM 0 HH11 ARG A 35 80.974 5.618 5.561 1.00 0.00 H new ATOM 0 HH12 ARG A 35 79.773 6.773 6.148 1.00 0.00 H new ATOM 0 HH21 ARG A 35 80.898 9.364 4.089 1.00 0.00 H new ATOM 0 HH22 ARG A 35 79.731 8.875 5.322 1.00 0.00 H new ATOM 607 N VAL A 36 82.445 6.416 -1.698 1.00 0.00 N ATOM 608 CA VAL A 36 81.839 7.198 -2.813 1.00 0.00 C ATOM 609 C VAL A 36 80.336 6.944 -2.848 1.00 0.00 C ATOM 610 O VAL A 36 79.886 5.824 -2.959 1.00 0.00 O ATOM 611 CB VAL A 36 82.487 6.766 -4.131 1.00 0.00 C ATOM 612 CG1 VAL A 36 81.970 7.639 -5.280 1.00 0.00 C ATOM 613 CG2 VAL A 36 84.004 6.930 -4.021 1.00 0.00 C ATOM 0 H VAL A 36 82.260 5.413 -1.725 1.00 0.00 H new ATOM 0 HA VAL A 36 82.010 8.264 -2.664 1.00 0.00 H new ATOM 0 HB VAL A 36 82.236 5.724 -4.330 1.00 0.00 H new ATOM 0 HG11 VAL A 36 82.436 7.325 -6.214 1.00 0.00 H new ATOM 0 HG12 VAL A 36 80.888 7.532 -5.360 1.00 0.00 H new ATOM 0 HG13 VAL A 36 82.217 8.682 -5.084 1.00 0.00 H new ATOM 0 HG21 VAL A 36 84.472 6.624 -4.957 1.00 0.00 H new ATOM 0 HG22 VAL A 36 84.243 7.974 -3.820 1.00 0.00 H new ATOM 0 HG23 VAL A 36 84.379 6.309 -3.208 1.00 0.00 H new ATOM 623 N ASP A 37 79.556 7.982 -2.748 1.00 0.00 N ATOM 624 CA ASP A 37 78.082 7.809 -2.771 1.00 0.00 C ATOM 625 C ASP A 37 77.644 7.415 -4.175 1.00 0.00 C ATOM 626 O ASP A 37 78.228 7.820 -5.153 1.00 0.00 O ATOM 627 CB ASP A 37 77.405 9.123 -2.378 1.00 0.00 C ATOM 628 CG ASP A 37 75.937 8.862 -2.038 1.00 0.00 C ATOM 629 OD1 ASP A 37 75.343 8.016 -2.685 1.00 0.00 O ATOM 630 OD2 ASP A 37 75.433 9.513 -1.138 1.00 0.00 O ATOM 0 H ASP A 37 79.878 8.945 -2.651 1.00 0.00 H new ATOM 0 HA ASP A 37 77.796 7.030 -2.065 1.00 0.00 H new ATOM 0 HB2 ASP A 37 77.914 9.564 -1.521 1.00 0.00 H new ATOM 0 HB3 ASP A 37 77.477 9.840 -3.196 1.00 0.00 H new ATOM 635 N GLU A 38 76.612 6.637 -4.279 1.00 0.00 N ATOM 636 CA GLU A 38 76.113 6.221 -5.615 1.00 0.00 C ATOM 637 C GLU A 38 75.092 7.251 -6.054 1.00 0.00 C ATOM 638 O GLU A 38 74.780 7.411 -7.217 1.00 0.00 O ATOM 639 CB GLU A 38 75.455 4.853 -5.465 1.00 0.00 C ATOM 640 CG GLU A 38 75.303 4.168 -6.822 1.00 0.00 C ATOM 641 CD GLU A 38 74.195 4.855 -7.623 1.00 0.00 C ATOM 642 OE1 GLU A 38 73.283 5.381 -7.006 1.00 0.00 O ATOM 643 OE2 GLU A 38 74.278 4.843 -8.840 1.00 0.00 O ATOM 0 H GLU A 38 76.085 6.266 -3.488 1.00 0.00 H new ATOM 0 HA GLU A 38 76.914 6.155 -6.352 1.00 0.00 H new ATOM 0 HB2 GLU A 38 76.054 4.228 -4.803 1.00 0.00 H new ATOM 0 HB3 GLU A 38 74.476 4.965 -4.998 1.00 0.00 H new ATOM 0 HG2 GLU A 38 76.244 4.213 -7.371 1.00 0.00 H new ATOM 0 HG3 GLU A 38 75.065 3.113 -6.684 1.00 0.00 H new ATOM 650 N LYS A 39 74.583 7.946 -5.095 1.00 0.00 N ATOM 651 CA LYS A 39 73.575 8.991 -5.348 1.00 0.00 C ATOM 652 C LYS A 39 74.254 10.217 -5.950 1.00 0.00 C ATOM 653 O LYS A 39 73.860 10.716 -6.986 1.00 0.00 O ATOM 654 CB LYS A 39 72.949 9.356 -4.010 1.00 0.00 C ATOM 655 CG LYS A 39 71.848 10.398 -4.206 1.00 0.00 C ATOM 656 CD LYS A 39 71.247 10.758 -2.846 1.00 0.00 C ATOM 657 CE LYS A 39 69.933 11.515 -3.046 1.00 0.00 C ATOM 658 NZ LYS A 39 68.910 10.594 -3.616 1.00 0.00 N ATOM 0 H LYS A 39 74.832 7.829 -4.113 1.00 0.00 H new ATOM 0 HA LYS A 39 72.814 8.636 -6.044 1.00 0.00 H new ATOM 0 HB2 LYS A 39 72.535 8.464 -3.539 1.00 0.00 H new ATOM 0 HB3 LYS A 39 73.713 9.746 -3.338 1.00 0.00 H new ATOM 0 HG2 LYS A 39 72.255 11.289 -4.684 1.00 0.00 H new ATOM 0 HG3 LYS A 39 71.074 10.007 -4.867 1.00 0.00 H new ATOM 0 HD2 LYS A 39 71.071 9.853 -2.264 1.00 0.00 H new ATOM 0 HD3 LYS A 39 71.948 11.370 -2.279 1.00 0.00 H new ATOM 0 HE2 LYS A 39 69.585 11.918 -2.095 1.00 0.00 H new ATOM 0 HE3 LYS A 39 70.087 12.362 -3.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 67.959 10.963 -3.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 69.041 10.524 -4.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 69.015 9.652 -3.189 1.00 0.00 H new ATOM 672 N THR A 40 75.271 10.712 -5.296 1.00 0.00 N ATOM 673 CA THR A 40 75.988 11.919 -5.807 1.00 0.00 C ATOM 674 C THR A 40 77.266 11.506 -6.540 1.00 0.00 C ATOM 675 O THR A 40 77.963 12.337 -7.087 1.00 0.00 O ATOM 676 CB THR A 40 76.353 12.825 -4.630 1.00 0.00 C ATOM 677 OG1 THR A 40 77.091 12.082 -3.672 1.00 0.00 O ATOM 678 CG2 THR A 40 75.075 13.363 -3.988 1.00 0.00 C ATOM 0 H THR A 40 75.639 10.330 -4.424 1.00 0.00 H new ATOM 0 HA THR A 40 75.337 12.451 -6.500 1.00 0.00 H new ATOM 0 HB THR A 40 76.959 13.659 -4.985 1.00 0.00 H new ATOM 0 HG1 THR A 40 77.327 12.663 -2.918 1.00 0.00 H new ATOM 0 HG21 THR A 40 75.333 14.009 -3.149 1.00 0.00 H new ATOM 0 HG22 THR A 40 74.510 13.934 -4.725 1.00 0.00 H new ATOM 0 HG23 THR A 40 74.469 12.530 -3.632 1.00 0.00 H new ATOM 686 N LYS A 41 77.591 10.237 -6.564 1.00 0.00 N ATOM 687 CA LYS A 41 78.832 9.818 -7.276 1.00 0.00 C ATOM 688 C LYS A 41 80.006 10.681 -6.804 1.00 0.00 C ATOM 689 O LYS A 41 80.947 10.914 -7.537 1.00 0.00 O ATOM 690 CB LYS A 41 78.634 10.004 -8.783 1.00 0.00 C ATOM 691 CG LYS A 41 77.451 9.147 -9.257 1.00 0.00 C ATOM 692 CD LYS A 41 76.923 9.692 -10.587 1.00 0.00 C ATOM 693 CE LYS A 41 78.042 9.670 -11.630 1.00 0.00 C ATOM 694 NZ LYS A 41 77.457 9.841 -12.990 1.00 0.00 N ATOM 0 H LYS A 41 77.058 9.485 -6.128 1.00 0.00 H new ATOM 0 HA LYS A 41 79.044 8.771 -7.061 1.00 0.00 H new ATOM 0 HB2 LYS A 41 78.449 11.054 -9.009 1.00 0.00 H new ATOM 0 HB3 LYS A 41 79.540 9.718 -9.317 1.00 0.00 H new ATOM 0 HG2 LYS A 41 77.765 8.110 -9.376 1.00 0.00 H new ATOM 0 HG3 LYS A 41 76.659 9.156 -8.508 1.00 0.00 H new ATOM 0 HD2 LYS A 41 76.081 9.091 -10.929 1.00 0.00 H new ATOM 0 HD3 LYS A 41 76.555 10.710 -10.455 1.00 0.00 H new ATOM 0 HE2 LYS A 41 78.758 10.467 -11.428 1.00 0.00 H new ATOM 0 HE3 LYS A 41 78.588 8.728 -11.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 78.217 9.826 -13.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 76.790 9.066 -13.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 76.955 10.750 -13.040 1.00 0.00 H new ATOM 708 N GLU A 42 79.953 11.158 -5.581 1.00 0.00 N ATOM 709 CA GLU A 42 81.061 12.016 -5.040 1.00 0.00 C ATOM 710 C GLU A 42 81.815 11.239 -3.953 1.00 0.00 C ATOM 711 O GLU A 42 81.322 10.269 -3.424 1.00 0.00 O ATOM 712 CB GLU A 42 80.448 13.304 -4.441 1.00 0.00 C ATOM 713 CG GLU A 42 81.081 14.549 -5.073 1.00 0.00 C ATOM 714 CD GLU A 42 80.658 14.652 -6.540 1.00 0.00 C ATOM 715 OE1 GLU A 42 79.465 14.633 -6.794 1.00 0.00 O ATOM 716 OE2 GLU A 42 81.534 14.750 -7.383 1.00 0.00 O ATOM 0 H GLU A 42 79.186 10.989 -4.930 1.00 0.00 H new ATOM 0 HA GLU A 42 81.756 12.281 -5.836 1.00 0.00 H new ATOM 0 HB2 GLU A 42 79.371 13.312 -4.609 1.00 0.00 H new ATOM 0 HB3 GLU A 42 80.603 13.319 -3.362 1.00 0.00 H new ATOM 0 HG2 GLU A 42 80.770 15.442 -4.531 1.00 0.00 H new ATOM 0 HG3 GLU A 42 82.167 14.494 -5.000 1.00 0.00 H new ATOM 723 N VAL A 43 82.998 11.678 -3.612 1.00 0.00 N ATOM 724 CA VAL A 43 83.792 10.983 -2.551 1.00 0.00 C ATOM 725 C VAL A 43 83.348 11.497 -1.181 1.00 0.00 C ATOM 726 O VAL A 43 83.361 12.684 -0.920 1.00 0.00 O ATOM 727 CB VAL A 43 85.288 11.265 -2.772 1.00 0.00 C ATOM 728 CG1 VAL A 43 86.089 10.913 -1.511 1.00 0.00 C ATOM 729 CG2 VAL A 43 85.799 10.421 -3.950 1.00 0.00 C ATOM 0 H VAL A 43 83.453 12.493 -4.024 1.00 0.00 H new ATOM 0 HA VAL A 43 83.626 9.907 -2.598 1.00 0.00 H new ATOM 0 HB VAL A 43 85.418 12.325 -2.991 1.00 0.00 H new ATOM 0 HG11 VAL A 43 87.146 11.118 -1.682 1.00 0.00 H new ATOM 0 HG12 VAL A 43 85.734 11.515 -0.675 1.00 0.00 H new ATOM 0 HG13 VAL A 43 85.957 9.856 -1.279 1.00 0.00 H new ATOM 0 HG21 VAL A 43 86.859 10.620 -4.107 1.00 0.00 H new ATOM 0 HG22 VAL A 43 85.658 9.363 -3.728 1.00 0.00 H new ATOM 0 HG23 VAL A 43 85.243 10.680 -4.851 1.00 0.00 H new ATOM 739 N ILE A 44 82.942 10.611 -0.306 1.00 0.00 N ATOM 740 CA ILE A 44 82.480 11.040 1.045 1.00 0.00 C ATOM 741 C ILE A 44 83.601 10.871 2.073 1.00 0.00 C ATOM 742 O ILE A 44 83.653 11.579 3.059 1.00 0.00 O ATOM 743 CB ILE A 44 81.280 10.190 1.459 1.00 0.00 C ATOM 744 CG1 ILE A 44 80.296 10.088 0.286 1.00 0.00 C ATOM 745 CG2 ILE A 44 80.586 10.842 2.656 1.00 0.00 C ATOM 746 CD1 ILE A 44 79.967 11.486 -0.251 1.00 0.00 C ATOM 0 H ILE A 44 82.911 9.605 -0.472 1.00 0.00 H new ATOM 0 HA ILE A 44 82.197 12.092 1.005 1.00 0.00 H new ATOM 0 HB ILE A 44 81.618 9.191 1.735 1.00 0.00 H new ATOM 0 HG12 ILE A 44 80.727 9.477 -0.508 1.00 0.00 H new ATOM 0 HG13 ILE A 44 79.382 9.591 0.610 1.00 0.00 H new ATOM 0 HG21 ILE A 44 79.729 10.237 2.953 1.00 0.00 H new ATOM 0 HG22 ILE A 44 81.286 10.913 3.488 1.00 0.00 H new ATOM 0 HG23 ILE A 44 80.247 11.841 2.380 1.00 0.00 H new ATOM 0 HD11 ILE A 44 79.268 11.401 -1.083 1.00 0.00 H new ATOM 0 HD12 ILE A 44 79.517 12.084 0.542 1.00 0.00 H new ATOM 0 HD13 ILE A 44 80.882 11.969 -0.594 1.00 0.00 H new ATOM 758 N GLN A 45 84.498 9.941 1.868 1.00 0.00 N ATOM 759 CA GLN A 45 85.598 9.752 2.865 1.00 0.00 C ATOM 760 C GLN A 45 86.820 9.087 2.221 1.00 0.00 C ATOM 761 O GLN A 45 86.767 8.558 1.129 1.00 0.00 O ATOM 762 CB GLN A 45 85.098 8.893 4.032 1.00 0.00 C ATOM 763 CG GLN A 45 86.182 8.796 5.113 1.00 0.00 C ATOM 764 CD GLN A 45 85.548 8.391 6.445 1.00 0.00 C ATOM 765 OE1 GLN A 45 84.753 7.473 6.501 1.00 0.00 O ATOM 766 NE2 GLN A 45 85.868 9.045 7.526 1.00 0.00 N ATOM 0 H GLN A 45 84.519 9.312 1.066 1.00 0.00 H new ATOM 0 HA GLN A 45 85.897 10.734 3.233 1.00 0.00 H new ATOM 0 HB2 GLN A 45 84.191 9.328 4.452 1.00 0.00 H new ATOM 0 HB3 GLN A 45 84.838 7.896 3.676 1.00 0.00 H new ATOM 0 HG2 GLN A 45 86.936 8.065 4.821 1.00 0.00 H new ATOM 0 HG3 GLN A 45 86.691 9.754 5.218 1.00 0.00 H new ATOM 0 HE21 GLN A 45 86.535 9.815 7.478 1.00 0.00 H new ATOM 0 HE22 GLN A 45 85.451 8.787 8.420 1.00 0.00 H new ATOM 775 N GLU A 46 87.922 9.131 2.920 1.00 0.00 N ATOM 776 CA GLU A 46 89.206 8.533 2.432 1.00 0.00 C ATOM 777 C GLU A 46 89.848 7.742 3.581 1.00 0.00 C ATOM 778 O GLU A 46 89.703 8.086 4.737 1.00 0.00 O ATOM 779 CB GLU A 46 90.152 9.661 1.978 1.00 0.00 C ATOM 780 CG GLU A 46 89.909 9.979 0.498 1.00 0.00 C ATOM 781 CD GLU A 46 90.728 11.207 0.098 1.00 0.00 C ATOM 782 OE1 GLU A 46 91.464 11.703 0.935 1.00 0.00 O ATOM 783 OE2 GLU A 46 90.606 11.631 -1.040 1.00 0.00 O ATOM 0 H GLU A 46 87.990 9.570 3.838 1.00 0.00 H new ATOM 0 HA GLU A 46 89.017 7.867 1.590 1.00 0.00 H new ATOM 0 HB2 GLU A 46 89.986 10.552 2.583 1.00 0.00 H new ATOM 0 HB3 GLU A 46 91.189 9.361 2.129 1.00 0.00 H new ATOM 0 HG2 GLU A 46 90.189 9.125 -0.119 1.00 0.00 H new ATOM 0 HG3 GLU A 46 88.849 10.164 0.324 1.00 0.00 H new ATOM 790 N TRP A 47 90.558 6.683 3.271 1.00 0.00 N ATOM 791 CA TRP A 47 91.213 5.866 4.342 1.00 0.00 C ATOM 792 C TRP A 47 92.612 5.456 3.887 1.00 0.00 C ATOM 793 O TRP A 47 92.852 5.235 2.722 1.00 0.00 O ATOM 794 CB TRP A 47 90.407 4.590 4.597 1.00 0.00 C ATOM 795 CG TRP A 47 89.109 4.891 5.284 1.00 0.00 C ATOM 796 CD1 TRP A 47 88.951 5.671 6.384 1.00 0.00 C ATOM 797 CD2 TRP A 47 87.781 4.400 4.942 1.00 0.00 C ATOM 798 NE1 TRP A 47 87.610 5.691 6.726 1.00 0.00 N ATOM 799 CE2 TRP A 47 86.852 4.923 5.869 1.00 0.00 C ATOM 800 CE3 TRP A 47 87.299 3.561 3.922 1.00 0.00 C ATOM 801 CZ2 TRP A 47 85.493 4.622 5.791 1.00 0.00 C ATOM 802 CZ3 TRP A 47 85.932 3.254 3.840 1.00 0.00 C ATOM 803 CH2 TRP A 47 85.030 3.783 4.773 1.00 0.00 C ATOM 0 H TRP A 47 90.712 6.349 2.320 1.00 0.00 H new ATOM 0 HA TRP A 47 91.264 6.464 5.252 1.00 0.00 H new ATOM 0 HB2 TRP A 47 90.211 4.086 3.650 1.00 0.00 H new ATOM 0 HB3 TRP A 47 90.993 3.904 5.208 1.00 0.00 H new ATOM 0 HD1 TRP A 47 89.741 6.190 6.906 1.00 0.00 H new ATOM 0 HE1 TRP A 47 87.229 6.211 7.516 1.00 0.00 H new ATOM 0 HE3 TRP A 47 87.985 3.150 3.197 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 84.803 5.034 6.512 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 85.573 2.607 3.054 1.00 0.00 H new ATOM 0 HH2 TRP A 47 83.979 3.543 4.706 1.00 0.00 H new ATOM 814 N SER A 48 93.530 5.322 4.801 1.00 0.00 N ATOM 815 CA SER A 48 94.907 4.899 4.416 1.00 0.00 C ATOM 816 C SER A 48 94.948 3.372 4.312 1.00 0.00 C ATOM 817 O SER A 48 94.409 2.671 5.145 1.00 0.00 O ATOM 818 CB SER A 48 95.905 5.372 5.473 1.00 0.00 C ATOM 819 OG SER A 48 95.571 6.693 5.878 1.00 0.00 O ATOM 0 H SER A 48 93.388 5.487 5.798 1.00 0.00 H new ATOM 0 HA SER A 48 95.173 5.340 3.455 1.00 0.00 H new ATOM 0 HB2 SER A 48 95.888 4.701 6.332 1.00 0.00 H new ATOM 0 HB3 SER A 48 96.917 5.348 5.070 1.00 0.00 H new ATOM 0 HG SER A 48 96.208 6.998 6.557 1.00 0.00 H new ATOM 825 N LEU A 49 95.578 2.850 3.296 1.00 0.00 N ATOM 826 CA LEU A 49 95.644 1.372 3.142 1.00 0.00 C ATOM 827 C LEU A 49 96.425 0.778 4.323 1.00 0.00 C ATOM 828 O LEU A 49 96.263 -0.375 4.669 1.00 0.00 O ATOM 829 CB LEU A 49 96.346 1.041 1.798 1.00 0.00 C ATOM 830 CG LEU A 49 95.346 0.426 0.802 1.00 0.00 C ATOM 831 CD1 LEU A 49 95.903 0.526 -0.622 1.00 0.00 C ATOM 832 CD2 LEU A 49 95.112 -1.047 1.157 1.00 0.00 C ATOM 0 H LEU A 49 96.050 3.384 2.566 1.00 0.00 H new ATOM 0 HA LEU A 49 94.642 0.942 3.135 1.00 0.00 H new ATOM 0 HB2 LEU A 49 96.779 1.947 1.375 1.00 0.00 H new ATOM 0 HB3 LEU A 49 97.168 0.347 1.972 1.00 0.00 H new ATOM 0 HG LEU A 49 94.403 0.970 0.858 1.00 0.00 H new ATOM 0 HD11 LEU A 49 95.191 0.089 -1.323 1.00 0.00 H new ATOM 0 HD12 LEU A 49 96.066 1.573 -0.876 1.00 0.00 H new ATOM 0 HD13 LEU A 49 96.848 -0.013 -0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 49 94.404 -1.483 0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 49 96.057 -1.588 1.104 1.00 0.00 H new ATOM 0 HD23 LEU A 49 94.709 -1.118 2.167 1.00 0.00 H new ATOM 844 N THR A 50 97.271 1.557 4.938 1.00 0.00 N ATOM 845 CA THR A 50 98.062 1.040 6.089 1.00 0.00 C ATOM 846 C THR A 50 97.220 1.099 7.367 1.00 0.00 C ATOM 847 O THR A 50 97.644 0.665 8.420 1.00 0.00 O ATOM 848 CB THR A 50 99.318 1.896 6.266 1.00 0.00 C ATOM 849 OG1 THR A 50 98.950 3.267 6.327 1.00 0.00 O ATOM 850 CG2 THR A 50 100.263 1.669 5.084 1.00 0.00 C ATOM 0 H THR A 50 97.449 2.531 4.693 1.00 0.00 H new ATOM 0 HA THR A 50 98.347 0.006 5.895 1.00 0.00 H new ATOM 0 HB THR A 50 99.823 1.615 7.190 1.00 0.00 H new ATOM 0 HG1 THR A 50 99.753 3.817 6.442 1.00 0.00 H new ATOM 0 HG21 THR A 50 101.157 2.279 5.211 1.00 0.00 H new ATOM 0 HG22 THR A 50 100.545 0.617 5.040 1.00 0.00 H new ATOM 0 HG23 THR A 50 99.761 1.949 4.158 1.00 0.00 H new ATOM 858 N ASN A 51 96.029 1.633 7.286 1.00 0.00 N ATOM 859 CA ASN A 51 95.159 1.720 8.500 1.00 0.00 C ATOM 860 C ASN A 51 94.258 0.484 8.574 1.00 0.00 C ATOM 861 O ASN A 51 93.760 0.131 9.625 1.00 0.00 O ATOM 862 CB ASN A 51 94.290 2.981 8.419 1.00 0.00 C ATOM 863 CG ASN A 51 95.130 4.210 8.777 1.00 0.00 C ATOM 864 OD1 ASN A 51 96.336 4.199 8.630 1.00 0.00 O ATOM 865 ND2 ASN A 51 94.539 5.276 9.243 1.00 0.00 N ATOM 0 H ASN A 51 95.620 2.013 6.432 1.00 0.00 H new ATOM 0 HA ASN A 51 95.785 1.767 9.391 1.00 0.00 H new ATOM 0 HB2 ASN A 51 93.881 3.088 7.415 1.00 0.00 H new ATOM 0 HB3 ASN A 51 93.444 2.896 9.101 1.00 0.00 H new ATOM 0 HD21 ASN A 51 95.090 6.100 9.484 1.00 0.00 H new ATOM 0 HD22 ASN A 51 93.527 5.285 9.366 1.00 0.00 H new ATOM 872 N ILE A 52 94.043 -0.177 7.470 1.00 0.00 N ATOM 873 CA ILE A 52 93.172 -1.386 7.488 1.00 0.00 C ATOM 874 C ILE A 52 93.825 -2.471 8.347 1.00 0.00 C ATOM 875 O ILE A 52 94.949 -2.869 8.115 1.00 0.00 O ATOM 876 CB ILE A 52 92.986 -1.906 6.060 1.00 0.00 C ATOM 877 CG1 ILE A 52 92.292 -0.830 5.215 1.00 0.00 C ATOM 878 CG2 ILE A 52 92.127 -3.174 6.085 1.00 0.00 C ATOM 879 CD1 ILE A 52 92.217 -1.277 3.750 1.00 0.00 C ATOM 0 H ILE A 52 94.431 0.067 6.559 1.00 0.00 H new ATOM 0 HA ILE A 52 92.200 -1.127 7.907 1.00 0.00 H new ATOM 0 HB ILE A 52 93.958 -2.139 5.626 1.00 0.00 H new ATOM 0 HG12 ILE A 52 91.289 -0.646 5.599 1.00 0.00 H new ATOM 0 HG13 ILE A 52 92.839 0.110 5.289 1.00 0.00 H new ATOM 0 HG21 ILE A 52 91.995 -3.544 5.068 1.00 0.00 H new ATOM 0 HG22 ILE A 52 92.621 -3.936 6.687 1.00 0.00 H new ATOM 0 HG23 ILE A 52 91.153 -2.945 6.517 1.00 0.00 H new ATOM 0 HD11 ILE A 52 91.723 -0.506 3.159 1.00 0.00 H new ATOM 0 HD12 ILE A 52 93.225 -1.438 3.367 1.00 0.00 H new ATOM 0 HD13 ILE A 52 91.650 -2.206 3.681 1.00 0.00 H new ATOM 891 N LYS A 53 93.125 -2.951 9.342 1.00 0.00 N ATOM 892 CA LYS A 53 93.696 -4.011 10.225 1.00 0.00 C ATOM 893 C LYS A 53 93.283 -5.391 9.704 1.00 0.00 C ATOM 894 O LYS A 53 94.105 -6.267 9.522 1.00 0.00 O ATOM 895 CB LYS A 53 93.160 -3.822 11.646 1.00 0.00 C ATOM 896 CG LYS A 53 93.650 -4.966 12.535 1.00 0.00 C ATOM 897 CD LYS A 53 93.352 -4.638 13.999 1.00 0.00 C ATOM 898 CE LYS A 53 93.519 -5.899 14.848 1.00 0.00 C ATOM 899 NZ LYS A 53 92.353 -6.802 14.632 1.00 0.00 N ATOM 0 H LYS A 53 92.179 -2.653 9.582 1.00 0.00 H new ATOM 0 HA LYS A 53 94.784 -3.938 10.228 1.00 0.00 H new ATOM 0 HB2 LYS A 53 93.496 -2.866 12.048 1.00 0.00 H new ATOM 0 HB3 LYS A 53 92.070 -3.798 11.634 1.00 0.00 H new ATOM 0 HG2 LYS A 53 93.158 -5.897 12.252 1.00 0.00 H new ATOM 0 HG3 LYS A 53 94.721 -5.116 12.396 1.00 0.00 H new ATOM 0 HD2 LYS A 53 94.025 -3.857 14.352 1.00 0.00 H new ATOM 0 HD3 LYS A 53 92.337 -4.252 14.097 1.00 0.00 H new ATOM 0 HE2 LYS A 53 94.443 -6.411 14.580 1.00 0.00 H new ATOM 0 HE3 LYS A 53 93.596 -5.633 15.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 92.281 -7.472 15.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 91.482 -6.237 14.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 92.481 -7.329 13.744 1.00 0.00 H new ATOM 913 N ARG A 54 92.014 -5.593 9.464 1.00 0.00 N ATOM 914 CA ARG A 54 91.546 -6.918 8.957 1.00 0.00 C ATOM 915 C ARG A 54 90.269 -6.730 8.143 1.00 0.00 C ATOM 916 O ARG A 54 89.720 -5.649 8.069 1.00 0.00 O ATOM 917 CB ARG A 54 91.235 -7.842 10.143 1.00 0.00 C ATOM 918 CG ARG A 54 90.326 -7.109 11.152 1.00 0.00 C ATOM 919 CD ARG A 54 89.482 -8.115 11.945 1.00 0.00 C ATOM 920 NE ARG A 54 89.009 -7.465 13.203 1.00 0.00 N ATOM 921 CZ ARG A 54 88.084 -8.034 13.928 1.00 0.00 C ATOM 922 NH1 ARG A 54 87.579 -9.181 13.563 1.00 0.00 N ATOM 923 NH2 ARG A 54 87.663 -7.454 15.019 1.00 0.00 N ATOM 0 H ARG A 54 91.280 -4.897 9.597 1.00 0.00 H new ATOM 0 HA ARG A 54 92.326 -7.357 8.335 1.00 0.00 H new ATOM 0 HB2 ARG A 54 90.745 -8.749 9.790 1.00 0.00 H new ATOM 0 HB3 ARG A 54 92.161 -8.149 10.630 1.00 0.00 H new ATOM 0 HG2 ARG A 54 90.935 -6.517 11.836 1.00 0.00 H new ATOM 0 HG3 ARG A 54 89.673 -6.414 10.624 1.00 0.00 H new ATOM 0 HD2 ARG A 54 88.631 -8.446 11.349 1.00 0.00 H new ATOM 0 HD3 ARG A 54 90.072 -9.001 12.178 1.00 0.00 H new ATOM 0 HE ARG A 54 89.409 -6.574 13.497 1.00 0.00 H new ATOM 0 HH11 ARG A 54 87.907 -9.634 12.710 1.00 0.00 H new ATOM 0 HH12 ARG A 54 86.857 -9.624 14.131 1.00 0.00 H new ATOM 0 HH21 ARG A 54 88.057 -6.557 15.304 1.00 0.00 H new ATOM 0 HH22 ARG A 54 86.940 -7.897 15.586 1.00 0.00 H new ATOM 937 N TRP A 55 89.776 -7.783 7.554 1.00 0.00 N ATOM 938 CA TRP A 55 88.515 -7.672 6.769 1.00 0.00 C ATOM 939 C TRP A 55 87.858 -9.039 6.659 1.00 0.00 C ATOM 940 O TRP A 55 88.423 -10.043 7.021 1.00 0.00 O ATOM 941 CB TRP A 55 88.797 -7.127 5.365 1.00 0.00 C ATOM 942 CG TRP A 55 89.820 -7.975 4.679 1.00 0.00 C ATOM 943 CD1 TRP A 55 89.580 -9.181 4.115 1.00 0.00 C ATOM 944 CD2 TRP A 55 91.232 -7.696 4.460 1.00 0.00 C ATOM 945 NE1 TRP A 55 90.760 -9.666 3.577 1.00 0.00 N ATOM 946 CE2 TRP A 55 91.805 -8.784 3.760 1.00 0.00 C ATOM 947 CE3 TRP A 55 92.063 -6.617 4.802 1.00 0.00 C ATOM 948 CZ2 TRP A 55 93.154 -8.799 3.409 1.00 0.00 C ATOM 949 CZ3 TRP A 55 93.421 -6.628 4.451 1.00 0.00 C ATOM 950 CH2 TRP A 55 93.966 -7.718 3.755 1.00 0.00 C ATOM 0 H TRP A 55 90.191 -8.714 7.582 1.00 0.00 H new ATOM 0 HA TRP A 55 87.847 -6.982 7.284 1.00 0.00 H new ATOM 0 HB2 TRP A 55 87.877 -7.111 4.781 1.00 0.00 H new ATOM 0 HB3 TRP A 55 89.151 -6.098 5.430 1.00 0.00 H new ATOM 0 HD1 TRP A 55 88.624 -9.683 4.089 1.00 0.00 H new ATOM 0 HE1 TRP A 55 90.846 -10.565 3.103 1.00 0.00 H new ATOM 0 HE3 TRP A 55 91.654 -5.774 5.339 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 93.568 -9.641 2.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 94.051 -5.792 4.718 1.00 0.00 H new ATOM 0 HH2 TRP A 55 95.012 -7.720 3.488 1.00 0.00 H new ATOM 961 N ALA A 56 86.658 -9.081 6.165 1.00 0.00 N ATOM 962 CA ALA A 56 85.950 -10.383 6.020 1.00 0.00 C ATOM 963 C ALA A 56 85.050 -10.305 4.789 1.00 0.00 C ATOM 964 O ALA A 56 84.073 -9.583 4.771 1.00 0.00 O ATOM 965 CB ALA A 56 85.109 -10.649 7.271 1.00 0.00 C ATOM 0 H ALA A 56 86.131 -8.266 5.852 1.00 0.00 H new ATOM 0 HA ALA A 56 86.667 -11.195 5.903 1.00 0.00 H new ATOM 0 HB1 ALA A 56 84.591 -11.602 7.165 1.00 0.00 H new ATOM 0 HB2 ALA A 56 85.759 -10.685 8.145 1.00 0.00 H new ATOM 0 HB3 ALA A 56 84.378 -9.850 7.395 1.00 0.00 H new ATOM 971 N ALA A 57 85.376 -11.031 3.753 1.00 0.00 N ATOM 972 CA ALA A 57 84.547 -10.987 2.511 1.00 0.00 C ATOM 973 C ALA A 57 83.599 -12.182 2.479 1.00 0.00 C ATOM 974 O ALA A 57 84.003 -13.303 2.240 1.00 0.00 O ATOM 975 CB ALA A 57 85.465 -11.040 1.291 1.00 0.00 C ATOM 0 H ALA A 57 86.182 -11.654 3.712 1.00 0.00 H new ATOM 0 HA ALA A 57 83.966 -10.065 2.498 1.00 0.00 H new ATOM 0 HB1 ALA A 57 84.864 -11.008 0.382 1.00 0.00 H new ATOM 0 HB2 ALA A 57 86.143 -10.186 1.308 1.00 0.00 H new ATOM 0 HB3 ALA A 57 86.044 -11.963 1.311 1.00 0.00 H new ATOM 981 N SER A 58 82.334 -11.949 2.707 1.00 0.00 N ATOM 982 CA SER A 58 81.348 -13.061 2.679 1.00 0.00 C ATOM 983 C SER A 58 80.739 -13.128 1.265 1.00 0.00 C ATOM 984 O SER A 58 80.822 -12.167 0.525 1.00 0.00 O ATOM 985 CB SER A 58 80.259 -12.787 3.731 1.00 0.00 C ATOM 986 OG SER A 58 80.446 -13.666 4.833 1.00 0.00 O ATOM 0 H SER A 58 81.942 -11.030 2.912 1.00 0.00 H new ATOM 0 HA SER A 58 81.823 -14.014 2.911 1.00 0.00 H new ATOM 0 HB2 SER A 58 80.310 -11.750 4.064 1.00 0.00 H new ATOM 0 HB3 SER A 58 79.270 -12.934 3.296 1.00 0.00 H new ATOM 0 HG SER A 58 79.756 -13.496 5.508 1.00 0.00 H new ATOM 992 N PRO A 59 80.144 -14.248 0.922 1.00 0.00 N ATOM 993 CA PRO A 59 79.525 -14.416 -0.408 1.00 0.00 C ATOM 994 C PRO A 59 78.436 -13.355 -0.632 1.00 0.00 C ATOM 995 O PRO A 59 77.762 -13.358 -1.643 1.00 0.00 O ATOM 996 CB PRO A 59 78.918 -15.841 -0.378 1.00 0.00 C ATOM 997 CG PRO A 59 79.063 -16.370 1.076 1.00 0.00 C ATOM 998 CD PRO A 59 80.032 -15.426 1.810 1.00 0.00 C ATOM 0 HA PRO A 59 80.240 -14.295 -1.221 1.00 0.00 H new ATOM 0 HB2 PRO A 59 77.870 -15.819 -0.677 1.00 0.00 H new ATOM 0 HB3 PRO A 59 79.436 -16.495 -1.079 1.00 0.00 H new ATOM 0 HG2 PRO A 59 78.095 -16.392 1.576 1.00 0.00 H new ATOM 0 HG3 PRO A 59 79.445 -17.391 1.078 1.00 0.00 H new ATOM 0 HD2 PRO A 59 79.648 -15.148 2.792 1.00 0.00 H new ATOM 0 HD3 PRO A 59 81.002 -15.897 1.969 1.00 0.00 H new ATOM 1006 N LYS A 60 78.238 -12.462 0.306 1.00 0.00 N ATOM 1007 CA LYS A 60 77.170 -11.431 0.134 1.00 0.00 C ATOM 1008 C LYS A 60 77.568 -10.110 0.790 1.00 0.00 C ATOM 1009 O LYS A 60 77.104 -9.061 0.395 1.00 0.00 O ATOM 1010 CB LYS A 60 75.896 -11.938 0.803 1.00 0.00 C ATOM 1011 CG LYS A 60 76.157 -12.190 2.296 1.00 0.00 C ATOM 1012 CD LYS A 60 75.163 -13.220 2.829 1.00 0.00 C ATOM 1013 CE LYS A 60 75.308 -13.336 4.347 1.00 0.00 C ATOM 1014 NZ LYS A 60 75.051 -12.009 4.973 1.00 0.00 N ATOM 0 H LYS A 60 78.766 -12.403 1.177 1.00 0.00 H new ATOM 0 HA LYS A 60 77.018 -11.260 -0.932 1.00 0.00 H new ATOM 0 HB2 LYS A 60 75.096 -11.208 0.683 1.00 0.00 H new ATOM 0 HB3 LYS A 60 75.563 -12.858 0.322 1.00 0.00 H new ATOM 0 HG2 LYS A 60 77.177 -12.546 2.441 1.00 0.00 H new ATOM 0 HG3 LYS A 60 76.063 -11.258 2.853 1.00 0.00 H new ATOM 0 HD2 LYS A 60 74.146 -12.925 2.572 1.00 0.00 H new ATOM 0 HD3 LYS A 60 75.342 -14.188 2.362 1.00 0.00 H new ATOM 0 HE2 LYS A 60 74.607 -14.075 4.735 1.00 0.00 H new ATOM 0 HE3 LYS A 60 76.309 -13.683 4.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 74.781 -12.141 5.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 75.912 -11.428 4.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 74.280 -11.530 4.466 1.00 0.00 H new ATOM 1028 N SER A 61 78.394 -10.151 1.804 1.00 0.00 N ATOM 1029 CA SER A 61 78.795 -8.885 2.511 1.00 0.00 C ATOM 1030 C SER A 61 80.317 -8.720 2.536 1.00 0.00 C ATOM 1031 O SER A 61 81.067 -9.628 2.238 1.00 0.00 O ATOM 1032 CB SER A 61 78.278 -8.932 3.949 1.00 0.00 C ATOM 1033 OG SER A 61 78.755 -10.111 4.583 1.00 0.00 O ATOM 0 H SER A 61 78.811 -11.004 2.177 1.00 0.00 H new ATOM 0 HA SER A 61 78.365 -8.040 1.973 1.00 0.00 H new ATOM 0 HB2 SER A 61 78.612 -8.051 4.496 1.00 0.00 H new ATOM 0 HB3 SER A 61 77.188 -8.917 3.956 1.00 0.00 H new ATOM 0 HG SER A 61 78.426 -10.142 5.506 1.00 0.00 H new ATOM 1039 N PHE A 62 80.763 -7.545 2.903 1.00 0.00 N ATOM 1040 CA PHE A 62 82.228 -7.250 2.978 1.00 0.00 C ATOM 1041 C PHE A 62 82.466 -6.357 4.203 1.00 0.00 C ATOM 1042 O PHE A 62 81.672 -5.484 4.492 1.00 0.00 O ATOM 1043 CB PHE A 62 82.654 -6.529 1.692 1.00 0.00 C ATOM 1044 CG PHE A 62 84.075 -6.010 1.805 1.00 0.00 C ATOM 1045 CD1 PHE A 62 85.124 -6.876 2.148 1.00 0.00 C ATOM 1046 CD2 PHE A 62 84.344 -4.656 1.555 1.00 0.00 C ATOM 1047 CE1 PHE A 62 86.433 -6.388 2.243 1.00 0.00 C ATOM 1048 CE2 PHE A 62 85.651 -4.172 1.648 1.00 0.00 C ATOM 1049 CZ PHE A 62 86.696 -5.037 1.992 1.00 0.00 C ATOM 0 H PHE A 62 80.162 -6.762 3.159 1.00 0.00 H new ATOM 0 HA PHE A 62 82.813 -8.165 3.074 1.00 0.00 H new ATOM 0 HB2 PHE A 62 82.579 -7.212 0.846 1.00 0.00 H new ATOM 0 HB3 PHE A 62 81.975 -5.700 1.494 1.00 0.00 H new ATOM 0 HD1 PHE A 62 84.922 -7.920 2.339 1.00 0.00 H new ATOM 0 HD2 PHE A 62 83.539 -3.987 1.290 1.00 0.00 H new ATOM 0 HE1 PHE A 62 87.240 -7.055 2.510 1.00 0.00 H new ATOM 0 HE2 PHE A 62 85.855 -3.129 1.454 1.00 0.00 H new ATOM 0 HZ PHE A 62 87.706 -4.661 2.064 1.00 0.00 H new ATOM 1059 N THR A 63 83.525 -6.581 4.950 1.00 0.00 N ATOM 1060 CA THR A 63 83.766 -5.752 6.180 1.00 0.00 C ATOM 1061 C THR A 63 85.252 -5.419 6.334 1.00 0.00 C ATOM 1062 O THR A 63 86.113 -6.186 5.964 1.00 0.00 O ATOM 1063 CB THR A 63 83.298 -6.551 7.406 1.00 0.00 C ATOM 1064 OG1 THR A 63 81.881 -6.642 7.394 1.00 0.00 O ATOM 1065 CG2 THR A 63 83.754 -5.864 8.699 1.00 0.00 C ATOM 0 H THR A 63 84.228 -7.296 4.764 1.00 0.00 H new ATOM 0 HA THR A 63 83.212 -4.817 6.092 1.00 0.00 H new ATOM 0 HB THR A 63 83.735 -7.549 7.365 1.00 0.00 H new ATOM 0 HG1 THR A 63 81.579 -7.152 8.174 1.00 0.00 H new ATOM 0 HG21 THR A 63 83.414 -6.443 9.558 1.00 0.00 H new ATOM 0 HG22 THR A 63 84.842 -5.799 8.712 1.00 0.00 H new ATOM 0 HG23 THR A 63 83.330 -4.861 8.747 1.00 0.00 H new ATOM 1073 N LEU A 64 85.547 -4.278 6.914 1.00 0.00 N ATOM 1074 CA LEU A 64 86.973 -3.877 7.144 1.00 0.00 C ATOM 1075 C LEU A 64 87.087 -3.258 8.539 1.00 0.00 C ATOM 1076 O LEU A 64 86.128 -2.744 9.081 1.00 0.00 O ATOM 1077 CB LEU A 64 87.437 -2.856 6.088 1.00 0.00 C ATOM 1078 CG LEU A 64 86.259 -1.946 5.661 1.00 0.00 C ATOM 1079 CD1 LEU A 64 86.773 -0.533 5.355 1.00 0.00 C ATOM 1080 CD2 LEU A 64 85.593 -2.511 4.401 1.00 0.00 C ATOM 0 H LEU A 64 84.855 -3.603 7.240 1.00 0.00 H new ATOM 0 HA LEU A 64 87.608 -4.759 7.064 1.00 0.00 H new ATOM 0 HB2 LEU A 64 88.246 -2.248 6.492 1.00 0.00 H new ATOM 0 HB3 LEU A 64 87.835 -3.379 5.218 1.00 0.00 H new ATOM 0 HG LEU A 64 85.536 -1.907 6.476 1.00 0.00 H new ATOM 0 HD11 LEU A 64 85.938 0.101 5.055 1.00 0.00 H new ATOM 0 HD12 LEU A 64 87.244 -0.116 6.245 1.00 0.00 H new ATOM 0 HD13 LEU A 64 87.503 -0.578 4.546 1.00 0.00 H new ATOM 0 HD21 LEU A 64 84.765 -1.866 4.106 1.00 0.00 H new ATOM 0 HD22 LEU A 64 86.323 -2.556 3.593 1.00 0.00 H new ATOM 0 HD23 LEU A 64 85.217 -3.513 4.607 1.00 0.00 H new ATOM 1092 N ASP A 65 88.257 -3.309 9.122 1.00 0.00 N ATOM 1093 CA ASP A 65 88.460 -2.730 10.490 1.00 0.00 C ATOM 1094 C ASP A 65 89.704 -1.842 10.493 1.00 0.00 C ATOM 1095 O ASP A 65 90.789 -2.272 10.156 1.00 0.00 O ATOM 1096 CB ASP A 65 88.643 -3.864 11.503 1.00 0.00 C ATOM 1097 CG ASP A 65 87.619 -4.966 11.227 1.00 0.00 C ATOM 1098 OD1 ASP A 65 87.557 -5.421 10.096 1.00 0.00 O ATOM 1099 OD2 ASP A 65 86.914 -5.338 12.151 1.00 0.00 O ATOM 0 H ASP A 65 89.089 -3.730 8.708 1.00 0.00 H new ATOM 0 HA ASP A 65 87.589 -2.134 10.762 1.00 0.00 H new ATOM 0 HB2 ASP A 65 89.654 -4.267 11.435 1.00 0.00 H new ATOM 0 HB3 ASP A 65 88.519 -3.484 12.517 1.00 0.00 H new ATOM 1104 N PHE A 66 89.557 -0.606 10.886 1.00 0.00 N ATOM 1105 CA PHE A 66 90.728 0.316 10.931 1.00 0.00 C ATOM 1106 C PHE A 66 91.325 0.279 12.333 1.00 0.00 C ATOM 1107 O PHE A 66 92.303 0.937 12.626 1.00 0.00 O ATOM 1108 CB PHE A 66 90.262 1.737 10.620 1.00 0.00 C ATOM 1109 CG PHE A 66 89.753 1.791 9.199 1.00 0.00 C ATOM 1110 CD1 PHE A 66 90.651 1.668 8.133 1.00 0.00 C ATOM 1111 CD2 PHE A 66 88.385 1.957 8.948 1.00 0.00 C ATOM 1112 CE1 PHE A 66 90.182 1.710 6.815 1.00 0.00 C ATOM 1113 CE2 PHE A 66 87.917 2.000 7.631 1.00 0.00 C ATOM 1114 CZ PHE A 66 88.816 1.876 6.565 1.00 0.00 C ATOM 0 H PHE A 66 88.672 -0.193 11.179 1.00 0.00 H new ATOM 0 HA PHE A 66 91.474 0.009 10.198 1.00 0.00 H new ATOM 0 HB2 PHE A 66 89.475 2.035 11.313 1.00 0.00 H new ATOM 0 HB3 PHE A 66 91.085 2.440 10.752 1.00 0.00 H new ATOM 0 HD1 PHE A 66 91.706 1.541 8.327 1.00 0.00 H new ATOM 0 HD2 PHE A 66 87.692 2.052 9.771 1.00 0.00 H new ATOM 0 HE1 PHE A 66 90.874 1.614 5.992 1.00 0.00 H new ATOM 0 HE2 PHE A 66 86.863 2.129 7.436 1.00 0.00 H new ATOM 0 HZ PHE A 66 88.454 1.909 5.548 1.00 0.00 H new ATOM 1124 N GLY A 67 90.730 -0.484 13.206 1.00 0.00 N ATOM 1125 CA GLY A 67 91.245 -0.566 14.599 1.00 0.00 C ATOM 1126 C GLY A 67 90.773 0.660 15.378 1.00 0.00 C ATOM 1127 O GLY A 67 91.004 0.781 16.564 1.00 0.00 O ATOM 0 H GLY A 67 89.907 -1.055 13.014 1.00 0.00 H new ATOM 0 HA2 GLY A 67 90.888 -1.477 15.079 1.00 0.00 H new ATOM 0 HA3 GLY A 67 92.334 -0.613 14.595 1.00 0.00 H new ATOM 1131 N ASP A 68 90.113 1.576 14.716 1.00 0.00 N ATOM 1132 CA ASP A 68 89.624 2.802 15.412 1.00 0.00 C ATOM 1133 C ASP A 68 88.206 2.566 15.939 1.00 0.00 C ATOM 1134 O ASP A 68 87.233 2.772 15.242 1.00 0.00 O ATOM 1135 CB ASP A 68 89.619 3.973 14.426 1.00 0.00 C ATOM 1136 CG ASP A 68 90.842 3.876 13.512 1.00 0.00 C ATOM 1137 OD1 ASP A 68 91.753 3.140 13.851 1.00 0.00 O ATOM 1138 OD2 ASP A 68 90.845 4.539 12.487 1.00 0.00 O ATOM 0 H ASP A 68 89.892 1.527 13.721 1.00 0.00 H new ATOM 0 HA ASP A 68 90.282 3.033 16.250 1.00 0.00 H new ATOM 0 HB2 ASP A 68 88.705 3.958 13.832 1.00 0.00 H new ATOM 0 HB3 ASP A 68 89.631 4.919 14.968 1.00 0.00 H new ATOM 1143 N TYR A 69 88.080 2.142 17.168 1.00 0.00 N ATOM 1144 CA TYR A 69 86.726 1.902 17.739 1.00 0.00 C ATOM 1145 C TYR A 69 85.832 3.106 17.442 1.00 0.00 C ATOM 1146 O TYR A 69 84.699 2.968 17.024 1.00 0.00 O ATOM 1147 CB TYR A 69 86.840 1.714 19.251 1.00 0.00 C ATOM 1148 CG TYR A 69 85.457 1.595 19.844 1.00 0.00 C ATOM 1149 CD1 TYR A 69 84.763 0.385 19.751 1.00 0.00 C ATOM 1150 CD2 TYR A 69 84.871 2.693 20.483 1.00 0.00 C ATOM 1151 CE1 TYR A 69 83.480 0.271 20.299 1.00 0.00 C ATOM 1152 CE2 TYR A 69 83.588 2.580 21.031 1.00 0.00 C ATOM 1153 CZ TYR A 69 82.892 1.368 20.939 1.00 0.00 C ATOM 1154 OH TYR A 69 81.627 1.256 21.479 1.00 0.00 O ATOM 0 H TYR A 69 88.857 1.952 17.800 1.00 0.00 H new ATOM 0 HA TYR A 69 86.293 1.007 17.293 1.00 0.00 H new ATOM 0 HB2 TYR A 69 87.423 0.820 19.475 1.00 0.00 H new ATOM 0 HB3 TYR A 69 87.367 2.558 19.695 1.00 0.00 H new ATOM 0 HD1 TYR A 69 85.217 -0.461 19.257 1.00 0.00 H new ATOM 0 HD2 TYR A 69 85.408 3.627 20.553 1.00 0.00 H new ATOM 0 HE1 TYR A 69 82.944 -0.664 20.228 1.00 0.00 H new ATOM 0 HE2 TYR A 69 83.135 3.427 21.525 1.00 0.00 H new ATOM 0 HH TYR A 69 81.369 2.109 21.887 1.00 0.00 H new ATOM 1164 N GLN A 70 86.339 4.287 17.653 1.00 0.00 N ATOM 1165 CA GLN A 70 85.533 5.512 17.383 1.00 0.00 C ATOM 1166 C GLN A 70 84.899 5.395 15.993 1.00 0.00 C ATOM 1167 O GLN A 70 83.692 5.382 15.848 1.00 0.00 O ATOM 1168 CB GLN A 70 86.445 6.758 17.447 1.00 0.00 C ATOM 1169 CG GLN A 70 87.898 6.373 17.122 1.00 0.00 C ATOM 1170 CD GLN A 70 88.605 5.865 18.384 1.00 0.00 C ATOM 1171 OE1 GLN A 70 87.994 5.236 19.225 1.00 0.00 O ATOM 1172 NE2 GLN A 70 89.874 6.116 18.553 1.00 0.00 N ATOM 0 H GLN A 70 87.282 4.459 18.003 1.00 0.00 H new ATOM 0 HA GLN A 70 84.748 5.612 18.133 1.00 0.00 H new ATOM 0 HB2 GLN A 70 86.094 7.510 16.741 1.00 0.00 H new ATOM 0 HB3 GLN A 70 86.393 7.204 18.440 1.00 0.00 H new ATOM 0 HG2 GLN A 70 87.914 5.602 16.352 1.00 0.00 H new ATOM 0 HG3 GLN A 70 88.430 7.236 16.721 1.00 0.00 H new ATOM 0 HE21 GLN A 70 90.388 6.644 17.848 1.00 0.00 H new ATOM 0 HE22 GLN A 70 90.352 5.784 19.391 1.00 0.00 H new ATOM 1181 N ASP A 71 85.704 5.305 14.973 1.00 0.00 N ATOM 1182 CA ASP A 71 85.153 5.185 13.600 1.00 0.00 C ATOM 1183 C ASP A 71 84.301 3.920 13.520 1.00 0.00 C ATOM 1184 O ASP A 71 83.331 3.852 12.791 1.00 0.00 O ATOM 1185 CB ASP A 71 86.308 5.098 12.604 1.00 0.00 C ATOM 1186 CG ASP A 71 85.801 5.415 11.194 1.00 0.00 C ATOM 1187 OD1 ASP A 71 85.516 6.572 10.935 1.00 0.00 O ATOM 1188 OD2 ASP A 71 85.705 4.494 10.399 1.00 0.00 O ATOM 0 H ASP A 71 86.722 5.310 15.033 1.00 0.00 H new ATOM 0 HA ASP A 71 84.538 6.053 13.362 1.00 0.00 H new ATOM 0 HB2 ASP A 71 87.095 5.798 12.884 1.00 0.00 H new ATOM 0 HB3 ASP A 71 86.746 4.100 12.627 1.00 0.00 H new ATOM 1193 N GLY A 72 84.660 2.920 14.272 1.00 0.00 N ATOM 1194 CA GLY A 72 83.879 1.654 14.256 1.00 0.00 C ATOM 1195 C GLY A 72 84.158 0.895 12.960 1.00 0.00 C ATOM 1196 O GLY A 72 84.787 1.404 12.053 1.00 0.00 O ATOM 0 H GLY A 72 85.464 2.925 14.900 1.00 0.00 H new ATOM 0 HA2 GLY A 72 84.148 1.039 15.115 1.00 0.00 H new ATOM 0 HA3 GLY A 72 82.814 1.871 14.340 1.00 0.00 H new ATOM 1200 N TYR A 73 83.696 -0.321 12.864 1.00 0.00 N ATOM 1201 CA TYR A 73 83.935 -1.112 11.626 1.00 0.00 C ATOM 1202 C TYR A 73 83.096 -0.539 10.484 1.00 0.00 C ATOM 1203 O TYR A 73 82.159 0.204 10.700 1.00 0.00 O ATOM 1204 CB TYR A 73 83.534 -2.569 11.862 1.00 0.00 C ATOM 1205 CG TYR A 73 84.166 -3.074 13.137 1.00 0.00 C ATOM 1206 CD1 TYR A 73 85.542 -3.304 13.184 1.00 0.00 C ATOM 1207 CD2 TYR A 73 83.377 -3.317 14.267 1.00 0.00 C ATOM 1208 CE1 TYR A 73 86.135 -3.778 14.359 1.00 0.00 C ATOM 1209 CE2 TYR A 73 83.967 -3.790 15.444 1.00 0.00 C ATOM 1210 CZ TYR A 73 85.347 -4.020 15.491 1.00 0.00 C ATOM 1211 OH TYR A 73 85.930 -4.487 16.651 1.00 0.00 O ATOM 0 H TYR A 73 83.163 -0.800 13.590 1.00 0.00 H new ATOM 0 HA TYR A 73 84.992 -1.062 11.366 1.00 0.00 H new ATOM 0 HB2 TYR A 73 82.449 -2.651 11.926 1.00 0.00 H new ATOM 0 HB3 TYR A 73 83.851 -3.184 11.020 1.00 0.00 H new ATOM 0 HD1 TYR A 73 86.150 -3.116 12.312 1.00 0.00 H new ATOM 0 HD2 TYR A 73 82.312 -3.139 14.230 1.00 0.00 H new ATOM 0 HE1 TYR A 73 87.199 -3.957 14.393 1.00 0.00 H new ATOM 0 HE2 TYR A 73 83.358 -3.978 16.316 1.00 0.00 H new ATOM 0 HH TYR A 73 85.242 -4.600 17.340 1.00 0.00 H new ATOM 1221 N TYR A 74 83.424 -0.893 9.268 1.00 0.00 N ATOM 1222 CA TYR A 74 82.658 -0.399 8.087 1.00 0.00 C ATOM 1223 C TYR A 74 82.334 -1.589 7.191 1.00 0.00 C ATOM 1224 O TYR A 74 83.198 -2.142 6.542 1.00 0.00 O ATOM 1225 CB TYR A 74 83.510 0.601 7.307 1.00 0.00 C ATOM 1226 CG TYR A 74 82.689 1.216 6.195 1.00 0.00 C ATOM 1227 CD1 TYR A 74 81.694 2.154 6.495 1.00 0.00 C ATOM 1228 CD2 TYR A 74 82.925 0.850 4.863 1.00 0.00 C ATOM 1229 CE1 TYR A 74 80.937 2.726 5.465 1.00 0.00 C ATOM 1230 CE2 TYR A 74 82.168 1.421 3.833 1.00 0.00 C ATOM 1231 CZ TYR A 74 81.174 2.360 4.134 1.00 0.00 C ATOM 1232 OH TYR A 74 80.427 2.924 3.119 1.00 0.00 O ATOM 0 H TYR A 74 84.202 -1.513 9.041 1.00 0.00 H new ATOM 0 HA TYR A 74 81.740 0.090 8.415 1.00 0.00 H new ATOM 0 HB2 TYR A 74 83.876 1.381 7.975 1.00 0.00 H new ATOM 0 HB3 TYR A 74 84.385 0.101 6.892 1.00 0.00 H new ATOM 0 HD1 TYR A 74 81.510 2.437 7.521 1.00 0.00 H new ATOM 0 HD2 TYR A 74 83.692 0.126 4.631 1.00 0.00 H new ATOM 0 HE1 TYR A 74 80.170 3.450 5.697 1.00 0.00 H new ATOM 0 HE2 TYR A 74 82.351 1.137 2.807 1.00 0.00 H new ATOM 0 HH TYR A 74 79.640 2.367 2.944 1.00 0.00 H new ATOM 1242 N SER A 75 81.094 -1.989 7.161 1.00 0.00 N ATOM 1243 CA SER A 75 80.681 -3.155 6.321 1.00 0.00 C ATOM 1244 C SER A 75 79.509 -2.769 5.426 1.00 0.00 C ATOM 1245 O SER A 75 78.742 -1.875 5.724 1.00 0.00 O ATOM 1246 CB SER A 75 80.268 -4.314 7.228 1.00 0.00 C ATOM 1247 OG SER A 75 80.056 -5.476 6.438 1.00 0.00 O ATOM 0 H SER A 75 80.337 -1.554 7.689 1.00 0.00 H new ATOM 0 HA SER A 75 81.521 -3.458 5.696 1.00 0.00 H new ATOM 0 HB2 SER A 75 81.042 -4.502 7.972 1.00 0.00 H new ATOM 0 HB3 SER A 75 79.358 -4.059 7.772 1.00 0.00 H new ATOM 0 HG SER A 75 80.731 -6.151 6.661 1.00 0.00 H new ATOM 1253 N VAL A 76 79.379 -3.447 4.321 1.00 0.00 N ATOM 1254 CA VAL A 76 78.274 -3.150 3.367 1.00 0.00 C ATOM 1255 C VAL A 76 77.936 -4.424 2.594 1.00 0.00 C ATOM 1256 O VAL A 76 78.619 -5.423 2.703 1.00 0.00 O ATOM 1257 CB VAL A 76 78.729 -2.070 2.386 1.00 0.00 C ATOM 1258 CG1 VAL A 76 79.012 -0.772 3.146 1.00 0.00 C ATOM 1259 CG2 VAL A 76 80.007 -2.537 1.686 1.00 0.00 C ATOM 0 H VAL A 76 79.999 -4.204 4.034 1.00 0.00 H new ATOM 0 HA VAL A 76 77.397 -2.800 3.911 1.00 0.00 H new ATOM 0 HB VAL A 76 77.946 -1.893 1.648 1.00 0.00 H new ATOM 0 HG11 VAL A 76 79.336 -0.003 2.445 1.00 0.00 H new ATOM 0 HG12 VAL A 76 78.105 -0.442 3.653 1.00 0.00 H new ATOM 0 HG13 VAL A 76 79.796 -0.945 3.883 1.00 0.00 H new ATOM 0 HG21 VAL A 76 80.338 -1.771 0.984 1.00 0.00 H new ATOM 0 HG22 VAL A 76 80.786 -2.710 2.428 1.00 0.00 H new ATOM 0 HG23 VAL A 76 79.809 -3.463 1.146 1.00 0.00 H new ATOM 1269 N GLN A 77 76.889 -4.407 1.818 1.00 0.00 N ATOM 1270 CA GLN A 77 76.519 -5.624 1.052 1.00 0.00 C ATOM 1271 C GLN A 77 77.430 -5.754 -0.175 1.00 0.00 C ATOM 1272 O GLN A 77 77.764 -4.781 -0.822 1.00 0.00 O ATOM 1273 CB GLN A 77 75.056 -5.504 0.598 1.00 0.00 C ATOM 1274 CG GLN A 77 74.118 -5.994 1.706 1.00 0.00 C ATOM 1275 CD GLN A 77 74.096 -7.524 1.730 1.00 0.00 C ATOM 1276 OE1 GLN A 77 75.039 -8.150 2.173 1.00 0.00 O ATOM 1277 NE2 GLN A 77 73.052 -8.158 1.270 1.00 0.00 N ATOM 0 H GLN A 77 76.276 -3.603 1.683 1.00 0.00 H new ATOM 0 HA GLN A 77 76.637 -6.506 1.681 1.00 0.00 H new ATOM 0 HB2 GLN A 77 74.828 -4.467 0.350 1.00 0.00 H new ATOM 0 HB3 GLN A 77 74.899 -6.090 -0.307 1.00 0.00 H new ATOM 0 HG2 GLN A 77 74.450 -5.611 2.671 1.00 0.00 H new ATOM 0 HG3 GLN A 77 73.112 -5.610 1.539 1.00 0.00 H new ATOM 0 HE21 GLN A 77 72.260 -7.634 0.898 1.00 0.00 H new ATOM 0 HE22 GLN A 77 73.028 -9.178 1.283 1.00 0.00 H new ATOM 1286 N THR A 78 77.825 -6.957 -0.498 1.00 0.00 N ATOM 1287 CA THR A 78 78.704 -7.176 -1.679 1.00 0.00 C ATOM 1288 C THR A 78 78.453 -8.569 -2.245 1.00 0.00 C ATOM 1289 O THR A 78 78.713 -9.569 -1.605 1.00 0.00 O ATOM 1290 CB THR A 78 80.171 -7.071 -1.268 1.00 0.00 C ATOM 1291 OG1 THR A 78 80.433 -7.990 -0.217 1.00 0.00 O ATOM 1292 CG2 THR A 78 80.473 -5.652 -0.794 1.00 0.00 C ATOM 0 H THR A 78 77.573 -7.804 0.012 1.00 0.00 H new ATOM 0 HA THR A 78 78.481 -6.418 -2.430 1.00 0.00 H new ATOM 0 HB THR A 78 80.804 -7.305 -2.124 1.00 0.00 H new ATOM 0 HG1 THR A 78 79.948 -8.825 -0.384 1.00 0.00 H new ATOM 0 HG21 THR A 78 81.521 -5.581 -0.502 1.00 0.00 H new ATOM 0 HG22 THR A 78 80.273 -4.948 -1.602 1.00 0.00 H new ATOM 0 HG23 THR A 78 79.841 -5.412 0.061 1.00 0.00 H new ATOM 1300 N THR A 79 77.961 -8.642 -3.443 1.00 0.00 N ATOM 1301 CA THR A 79 77.704 -9.968 -4.063 1.00 0.00 C ATOM 1302 C THR A 79 79.041 -10.670 -4.290 1.00 0.00 C ATOM 1303 O THR A 79 79.112 -11.876 -4.415 1.00 0.00 O ATOM 1304 CB THR A 79 77.003 -9.770 -5.406 1.00 0.00 C ATOM 1305 OG1 THR A 79 75.889 -8.904 -5.234 1.00 0.00 O ATOM 1306 CG2 THR A 79 76.525 -11.119 -5.944 1.00 0.00 C ATOM 0 H THR A 79 77.724 -7.838 -4.024 1.00 0.00 H new ATOM 0 HA THR A 79 77.073 -10.570 -3.409 1.00 0.00 H new ATOM 0 HB THR A 79 77.702 -9.329 -6.117 1.00 0.00 H new ATOM 0 HG1 THR A 79 75.439 -8.775 -6.095 1.00 0.00 H new ATOM 0 HG21 THR A 79 76.026 -10.972 -6.902 1.00 0.00 H new ATOM 0 HG22 THR A 79 77.380 -11.781 -6.078 1.00 0.00 H new ATOM 0 HG23 THR A 79 75.827 -11.567 -5.236 1.00 0.00 H new ATOM 1314 N GLU A 80 80.103 -9.909 -4.350 1.00 0.00 N ATOM 1315 CA GLU A 80 81.458 -10.492 -4.575 1.00 0.00 C ATOM 1316 C GLU A 80 82.465 -9.821 -3.637 1.00 0.00 C ATOM 1317 O GLU A 80 83.567 -9.486 -4.021 1.00 0.00 O ATOM 1318 CB GLU A 80 81.863 -10.274 -6.044 1.00 0.00 C ATOM 1319 CG GLU A 80 82.145 -8.785 -6.347 1.00 0.00 C ATOM 1320 CD GLU A 80 81.201 -7.865 -5.564 1.00 0.00 C ATOM 1321 OE1 GLU A 80 80.137 -7.564 -6.079 1.00 0.00 O ATOM 1322 OE2 GLU A 80 81.560 -7.477 -4.464 1.00 0.00 O ATOM 0 H GLU A 80 80.088 -8.894 -4.251 1.00 0.00 H new ATOM 0 HA GLU A 80 81.444 -11.561 -4.365 1.00 0.00 H new ATOM 0 HB2 GLU A 80 82.751 -10.865 -6.268 1.00 0.00 H new ATOM 0 HB3 GLU A 80 81.068 -10.634 -6.697 1.00 0.00 H new ATOM 0 HG2 GLU A 80 83.178 -8.550 -6.092 1.00 0.00 H new ATOM 0 HG3 GLU A 80 82.030 -8.602 -7.415 1.00 0.00 H new ATOM 1329 N GLY A 81 82.092 -9.638 -2.400 1.00 0.00 N ATOM 1330 CA GLY A 81 83.016 -8.999 -1.414 1.00 0.00 C ATOM 1331 C GLY A 81 84.415 -9.604 -1.549 1.00 0.00 C ATOM 1332 O GLY A 81 85.393 -9.048 -1.087 1.00 0.00 O ATOM 0 H GLY A 81 81.181 -9.905 -2.026 1.00 0.00 H new ATOM 0 HA2 GLY A 81 83.057 -7.923 -1.584 1.00 0.00 H new ATOM 0 HA3 GLY A 81 82.641 -9.148 -0.401 1.00 0.00 H new ATOM 1336 N GLU A 82 84.514 -10.736 -2.185 1.00 0.00 N ATOM 1337 CA GLU A 82 85.840 -11.386 -2.365 1.00 0.00 C ATOM 1338 C GLU A 82 86.727 -10.477 -3.214 1.00 0.00 C ATOM 1339 O GLU A 82 87.801 -10.077 -2.810 1.00 0.00 O ATOM 1340 CB GLU A 82 85.633 -12.734 -3.073 1.00 0.00 C ATOM 1341 CG GLU A 82 86.950 -13.232 -3.665 1.00 0.00 C ATOM 1342 CD GLU A 82 86.850 -14.729 -3.973 1.00 0.00 C ATOM 1343 OE1 GLU A 82 86.452 -15.060 -5.078 1.00 0.00 O ATOM 1344 OE2 GLU A 82 87.173 -15.517 -3.100 1.00 0.00 O ATOM 0 H GLU A 82 83.727 -11.243 -2.591 1.00 0.00 H new ATOM 0 HA GLU A 82 86.320 -11.553 -1.401 1.00 0.00 H new ATOM 0 HB2 GLU A 82 85.244 -13.467 -2.366 1.00 0.00 H new ATOM 0 HB3 GLU A 82 84.889 -12.627 -3.863 1.00 0.00 H new ATOM 0 HG2 GLU A 82 87.182 -12.679 -4.575 1.00 0.00 H new ATOM 0 HG3 GLU A 82 87.765 -13.049 -2.965 1.00 0.00 H new ATOM 1351 N GLN A 83 86.279 -10.148 -4.386 1.00 0.00 N ATOM 1352 CA GLN A 83 87.082 -9.262 -5.275 1.00 0.00 C ATOM 1353 C GLN A 83 87.506 -8.037 -4.488 1.00 0.00 C ATOM 1354 O GLN A 83 88.652 -7.632 -4.502 1.00 0.00 O ATOM 1355 CB GLN A 83 86.240 -8.813 -6.467 1.00 0.00 C ATOM 1356 CG GLN A 83 85.587 -10.016 -7.133 1.00 0.00 C ATOM 1357 CD GLN A 83 84.581 -9.537 -8.174 1.00 0.00 C ATOM 1358 OE1 GLN A 83 84.727 -8.470 -8.737 1.00 0.00 O ATOM 1359 NE2 GLN A 83 83.560 -10.290 -8.452 1.00 0.00 N ATOM 0 H GLN A 83 85.386 -10.454 -4.773 1.00 0.00 H new ATOM 0 HA GLN A 83 87.954 -9.808 -5.635 1.00 0.00 H new ATOM 0 HB2 GLN A 83 85.474 -8.111 -6.137 1.00 0.00 H new ATOM 0 HB3 GLN A 83 86.867 -8.286 -7.186 1.00 0.00 H new ATOM 0 HG2 GLN A 83 86.346 -10.640 -7.605 1.00 0.00 H new ATOM 0 HG3 GLN A 83 85.087 -10.632 -6.386 1.00 0.00 H new ATOM 0 HE21 GLN A 83 83.442 -11.185 -7.977 1.00 0.00 H new ATOM 0 HE22 GLN A 83 82.876 -9.987 -9.146 1.00 0.00 H new ATOM 1368 N ILE A 84 86.585 -7.453 -3.790 1.00 0.00 N ATOM 1369 CA ILE A 84 86.918 -6.257 -2.980 1.00 0.00 C ATOM 1370 C ILE A 84 88.082 -6.619 -2.062 1.00 0.00 C ATOM 1371 O ILE A 84 88.946 -5.814 -1.779 1.00 0.00 O ATOM 1372 CB ILE A 84 85.712 -5.859 -2.124 1.00 0.00 C ATOM 1373 CG1 ILE A 84 84.451 -5.694 -3.004 1.00 0.00 C ATOM 1374 CG2 ILE A 84 86.027 -4.557 -1.382 1.00 0.00 C ATOM 1375 CD1 ILE A 84 84.424 -4.322 -3.690 1.00 0.00 C ATOM 0 H ILE A 84 85.611 -7.752 -3.744 1.00 0.00 H new ATOM 0 HA ILE A 84 87.183 -5.425 -3.632 1.00 0.00 H new ATOM 0 HB ILE A 84 85.511 -6.646 -1.397 1.00 0.00 H new ATOM 0 HG12 ILE A 84 84.426 -6.480 -3.758 1.00 0.00 H new ATOM 0 HG13 ILE A 84 83.558 -5.813 -2.390 1.00 0.00 H new ATOM 0 HG21 ILE A 84 85.171 -4.270 -0.771 1.00 0.00 H new ATOM 0 HG22 ILE A 84 86.897 -4.704 -0.741 1.00 0.00 H new ATOM 0 HG23 ILE A 84 86.238 -3.768 -2.104 1.00 0.00 H new ATOM 0 HD11 ILE A 84 83.525 -4.238 -4.301 1.00 0.00 H new ATOM 0 HD12 ILE A 84 84.423 -3.537 -2.934 1.00 0.00 H new ATOM 0 HD13 ILE A 84 85.304 -4.215 -4.324 1.00 0.00 H new ATOM 1387 N ALA A 85 88.106 -7.841 -1.604 1.00 0.00 N ATOM 1388 CA ALA A 85 89.206 -8.290 -0.706 1.00 0.00 C ATOM 1389 C ALA A 85 90.405 -8.719 -1.550 1.00 0.00 C ATOM 1390 O ALA A 85 91.535 -8.663 -1.112 1.00 0.00 O ATOM 1391 CB ALA A 85 88.723 -9.471 0.137 1.00 0.00 C ATOM 0 H ALA A 85 87.406 -8.552 -1.815 1.00 0.00 H new ATOM 0 HA ALA A 85 89.500 -7.472 -0.048 1.00 0.00 H new ATOM 0 HB1 ALA A 85 89.527 -9.801 0.795 1.00 0.00 H new ATOM 0 HB2 ALA A 85 87.866 -9.164 0.737 1.00 0.00 H new ATOM 0 HB3 ALA A 85 88.431 -10.291 -0.519 1.00 0.00 H new ATOM 1397 N GLN A 86 90.169 -9.147 -2.761 1.00 0.00 N ATOM 1398 CA GLN A 86 91.297 -9.579 -3.629 1.00 0.00 C ATOM 1399 C GLN A 86 91.945 -8.348 -4.248 1.00 0.00 C ATOM 1400 O GLN A 86 93.143 -8.281 -4.434 1.00 0.00 O ATOM 1401 CB GLN A 86 90.761 -10.485 -4.734 1.00 0.00 C ATOM 1402 CG GLN A 86 91.911 -11.262 -5.365 1.00 0.00 C ATOM 1403 CD GLN A 86 91.452 -11.889 -6.678 1.00 0.00 C ATOM 1404 OE1 GLN A 86 90.424 -11.526 -7.214 1.00 0.00 O ATOM 1405 NE2 GLN A 86 92.178 -12.822 -7.222 1.00 0.00 N ATOM 0 H GLN A 86 89.244 -9.215 -3.185 1.00 0.00 H new ATOM 0 HA GLN A 86 92.034 -10.124 -3.039 1.00 0.00 H new ATOM 0 HB2 GLN A 86 90.024 -11.176 -4.325 1.00 0.00 H new ATOM 0 HB3 GLN A 86 90.253 -9.889 -5.492 1.00 0.00 H new ATOM 0 HG2 GLN A 86 92.756 -10.597 -5.545 1.00 0.00 H new ATOM 0 HG3 GLN A 86 92.256 -12.038 -4.682 1.00 0.00 H new ATOM 0 HE21 GLN A 86 93.041 -13.125 -6.770 1.00 0.00 H new ATOM 0 HE22 GLN A 86 91.884 -13.250 -8.100 1.00 0.00 H new ATOM 1414 N LEU A 87 91.151 -7.370 -4.560 1.00 0.00 N ATOM 1415 CA LEU A 87 91.696 -6.130 -5.157 1.00 0.00 C ATOM 1416 C LEU A 87 92.425 -5.361 -4.065 1.00 0.00 C ATOM 1417 O LEU A 87 93.449 -4.746 -4.286 1.00 0.00 O ATOM 1418 CB LEU A 87 90.538 -5.290 -5.705 1.00 0.00 C ATOM 1419 CG LEU A 87 91.053 -3.935 -6.203 1.00 0.00 C ATOM 1420 CD1 LEU A 87 92.163 -4.144 -7.248 1.00 0.00 C ATOM 1421 CD2 LEU A 87 89.890 -3.165 -6.836 1.00 0.00 C ATOM 0 H LEU A 87 90.140 -7.377 -4.426 1.00 0.00 H new ATOM 0 HA LEU A 87 92.384 -6.360 -5.971 1.00 0.00 H new ATOM 0 HB2 LEU A 87 90.048 -5.822 -6.520 1.00 0.00 H new ATOM 0 HB3 LEU A 87 89.790 -5.139 -4.927 1.00 0.00 H new ATOM 0 HG LEU A 87 91.461 -3.370 -5.365 1.00 0.00 H new ATOM 0 HD11 LEU A 87 92.522 -3.175 -7.596 1.00 0.00 H new ATOM 0 HD12 LEU A 87 92.987 -4.697 -6.797 1.00 0.00 H new ATOM 0 HD13 LEU A 87 91.766 -4.708 -8.092 1.00 0.00 H new ATOM 0 HD21 LEU A 87 90.245 -2.199 -7.194 1.00 0.00 H new ATOM 0 HD22 LEU A 87 89.488 -3.736 -7.673 1.00 0.00 H new ATOM 0 HD23 LEU A 87 89.108 -3.011 -6.092 1.00 0.00 H new ATOM 1433 N ILE A 88 91.894 -5.405 -2.881 1.00 0.00 N ATOM 1434 CA ILE A 88 92.527 -4.694 -1.742 1.00 0.00 C ATOM 1435 C ILE A 88 93.706 -5.523 -1.225 1.00 0.00 C ATOM 1436 O ILE A 88 94.785 -5.014 -0.994 1.00 0.00 O ATOM 1437 CB ILE A 88 91.480 -4.516 -0.637 1.00 0.00 C ATOM 1438 CG1 ILE A 88 90.468 -3.451 -1.073 1.00 0.00 C ATOM 1439 CG2 ILE A 88 92.157 -4.074 0.667 1.00 0.00 C ATOM 1440 CD1 ILE A 88 89.291 -3.416 -0.097 1.00 0.00 C ATOM 0 H ILE A 88 91.038 -5.909 -2.650 1.00 0.00 H new ATOM 0 HA ILE A 88 92.894 -3.717 -2.057 1.00 0.00 H new ATOM 0 HB ILE A 88 90.972 -5.465 -0.467 1.00 0.00 H new ATOM 0 HG12 ILE A 88 90.949 -2.474 -1.110 1.00 0.00 H new ATOM 0 HG13 ILE A 88 90.110 -3.668 -2.079 1.00 0.00 H new ATOM 0 HG21 ILE A 88 91.403 -3.951 1.445 1.00 0.00 H new ATOM 0 HG22 ILE A 88 92.878 -4.830 0.977 1.00 0.00 H new ATOM 0 HG23 ILE A 88 92.671 -3.126 0.507 1.00 0.00 H new ATOM 0 HD11 ILE A 88 88.577 -2.656 -0.415 1.00 0.00 H new ATOM 0 HD12 ILE A 88 88.802 -4.390 -0.082 1.00 0.00 H new ATOM 0 HD13 ILE A 88 89.654 -3.177 0.903 1.00 0.00 H new ATOM 1452 N ALA A 89 93.507 -6.799 -1.045 1.00 0.00 N ATOM 1453 CA ALA A 89 94.613 -7.667 -0.548 1.00 0.00 C ATOM 1454 C ALA A 89 95.776 -7.610 -1.536 1.00 0.00 C ATOM 1455 O ALA A 89 96.891 -7.982 -1.225 1.00 0.00 O ATOM 1456 CB ALA A 89 94.118 -9.110 -0.430 1.00 0.00 C ATOM 0 H ALA A 89 92.625 -7.280 -1.221 1.00 0.00 H new ATOM 0 HA ALA A 89 94.942 -7.316 0.430 1.00 0.00 H new ATOM 0 HB1 ALA A 89 94.927 -9.744 -0.067 1.00 0.00 H new ATOM 0 HB2 ALA A 89 93.282 -9.152 0.269 1.00 0.00 H new ATOM 0 HB3 ALA A 89 93.791 -9.464 -1.408 1.00 0.00 H new ATOM 1462 N GLY A 90 95.519 -7.158 -2.735 1.00 0.00 N ATOM 1463 CA GLY A 90 96.600 -7.087 -3.761 1.00 0.00 C ATOM 1464 C GLY A 90 97.349 -5.754 -3.669 1.00 0.00 C ATOM 1465 O GLY A 90 98.494 -5.659 -4.058 1.00 0.00 O ATOM 0 H GLY A 90 94.604 -6.834 -3.049 1.00 0.00 H new ATOM 0 HA2 GLY A 90 97.298 -7.912 -3.619 1.00 0.00 H new ATOM 0 HA3 GLY A 90 96.171 -7.201 -4.757 1.00 0.00 H new ATOM 1469 N TYR A 91 96.725 -4.720 -3.166 1.00 0.00 N ATOM 1470 CA TYR A 91 97.433 -3.406 -3.072 1.00 0.00 C ATOM 1471 C TYR A 91 98.264 -3.364 -1.788 1.00 0.00 C ATOM 1472 O TYR A 91 99.195 -2.595 -1.665 1.00 0.00 O ATOM 1473 CB TYR A 91 96.408 -2.260 -3.039 1.00 0.00 C ATOM 1474 CG TYR A 91 95.898 -1.953 -4.436 1.00 0.00 C ATOM 1475 CD1 TYR A 91 96.787 -1.550 -5.448 1.00 0.00 C ATOM 1476 CD2 TYR A 91 94.528 -2.053 -4.716 1.00 0.00 C ATOM 1477 CE1 TYR A 91 96.304 -1.256 -6.728 1.00 0.00 C ATOM 1478 CE2 TYR A 91 94.050 -1.757 -5.995 1.00 0.00 C ATOM 1479 CZ TYR A 91 94.936 -1.361 -7.002 1.00 0.00 C ATOM 1480 OH TYR A 91 94.461 -1.069 -8.264 1.00 0.00 O ATOM 0 H TYR A 91 95.766 -4.726 -2.819 1.00 0.00 H new ATOM 0 HA TYR A 91 98.082 -3.291 -3.940 1.00 0.00 H new ATOM 0 HB2 TYR A 91 95.573 -2.532 -2.393 1.00 0.00 H new ATOM 0 HB3 TYR A 91 96.866 -1.369 -2.610 1.00 0.00 H new ATOM 0 HD1 TYR A 91 97.843 -1.467 -5.237 1.00 0.00 H new ATOM 0 HD2 TYR A 91 93.841 -2.359 -3.941 1.00 0.00 H new ATOM 0 HE1 TYR A 91 96.988 -0.948 -7.505 1.00 0.00 H new ATOM 0 HE2 TYR A 91 92.994 -1.834 -6.207 1.00 0.00 H new ATOM 0 HH TYR A 91 93.489 -1.194 -8.285 1.00 0.00 H new ATOM 1490 N ILE A 92 97.925 -4.171 -0.825 1.00 0.00 N ATOM 1491 CA ILE A 92 98.684 -4.158 0.454 1.00 0.00 C ATOM 1492 C ILE A 92 100.060 -4.799 0.259 1.00 0.00 C ATOM 1493 O ILE A 92 100.990 -4.529 0.992 1.00 0.00 O ATOM 1494 CB ILE A 92 97.894 -4.930 1.511 1.00 0.00 C ATOM 1495 CG1 ILE A 92 96.597 -4.166 1.798 1.00 0.00 C ATOM 1496 CG2 ILE A 92 98.729 -5.046 2.791 1.00 0.00 C ATOM 1497 CD1 ILE A 92 95.690 -4.988 2.717 1.00 0.00 C ATOM 0 H ILE A 92 97.155 -4.839 -0.868 1.00 0.00 H new ATOM 0 HA ILE A 92 98.825 -3.128 0.781 1.00 0.00 H new ATOM 0 HB ILE A 92 97.661 -5.933 1.153 1.00 0.00 H new ATOM 0 HG12 ILE A 92 96.827 -3.208 2.264 1.00 0.00 H new ATOM 0 HG13 ILE A 92 96.080 -3.950 0.863 1.00 0.00 H new ATOM 0 HG21 ILE A 92 98.165 -5.596 3.544 1.00 0.00 H new ATOM 0 HG22 ILE A 92 99.657 -5.575 2.573 1.00 0.00 H new ATOM 0 HG23 ILE A 92 98.959 -4.049 3.167 1.00 0.00 H new ATOM 0 HD11 ILE A 92 94.772 -4.434 2.913 1.00 0.00 H new ATOM 0 HD12 ILE A 92 95.446 -5.935 2.235 1.00 0.00 H new ATOM 0 HD13 ILE A 92 96.205 -5.181 3.658 1.00 0.00 H new ATOM 1509 N ASP A 93 100.195 -5.645 -0.720 1.00 0.00 N ATOM 1510 CA ASP A 93 101.508 -6.308 -0.966 1.00 0.00 C ATOM 1511 C ASP A 93 102.394 -5.402 -1.824 1.00 0.00 C ATOM 1512 O ASP A 93 103.597 -5.559 -1.874 1.00 0.00 O ATOM 1513 CB ASP A 93 101.268 -7.629 -1.699 1.00 0.00 C ATOM 1514 CG ASP A 93 100.731 -8.671 -0.716 1.00 0.00 C ATOM 1515 OD1 ASP A 93 101.509 -9.149 0.093 1.00 0.00 O ATOM 1516 OD2 ASP A 93 99.551 -8.972 -0.788 1.00 0.00 O ATOM 0 H ASP A 93 99.450 -5.909 -1.365 1.00 0.00 H new ATOM 0 HA ASP A 93 102.006 -6.496 -0.015 1.00 0.00 H new ATOM 0 HB2 ASP A 93 100.557 -7.481 -2.512 1.00 0.00 H new ATOM 0 HB3 ASP A 93 102.197 -7.982 -2.147 1.00 0.00 H new ATOM 1521 N ILE A 94 101.802 -4.467 -2.513 1.00 0.00 N ATOM 1522 CA ILE A 94 102.597 -3.558 -3.390 1.00 0.00 C ATOM 1523 C ILE A 94 103.116 -2.367 -2.586 1.00 0.00 C ATOM 1524 O ILE A 94 104.119 -1.770 -2.924 1.00 0.00 O ATOM 1525 CB ILE A 94 101.706 -3.055 -4.521 1.00 0.00 C ATOM 1526 CG1 ILE A 94 101.128 -4.255 -5.278 1.00 0.00 C ATOM 1527 CG2 ILE A 94 102.541 -2.198 -5.473 1.00 0.00 C ATOM 1528 CD1 ILE A 94 100.091 -3.778 -6.296 1.00 0.00 C ATOM 0 H ILE A 94 100.797 -4.291 -2.507 1.00 0.00 H new ATOM 0 HA ILE A 94 103.447 -4.105 -3.797 1.00 0.00 H new ATOM 0 HB ILE A 94 100.891 -2.457 -4.115 1.00 0.00 H new ATOM 0 HG12 ILE A 94 101.927 -4.795 -5.786 1.00 0.00 H new ATOM 0 HG13 ILE A 94 100.668 -4.951 -4.577 1.00 0.00 H new ATOM 0 HG21 ILE A 94 101.910 -1.835 -6.284 1.00 0.00 H new ATOM 0 HG22 ILE A 94 102.957 -1.350 -4.929 1.00 0.00 H new ATOM 0 HG23 ILE A 94 103.353 -2.798 -5.885 1.00 0.00 H new ATOM 0 HD11 ILE A 94 99.684 -4.636 -6.831 1.00 0.00 H new ATOM 0 HD12 ILE A 94 99.285 -3.258 -5.778 1.00 0.00 H new ATOM 0 HD13 ILE A 94 100.564 -3.099 -7.006 1.00 0.00 H new ATOM 1540 N ILE A 95 102.446 -2.014 -1.527 1.00 0.00 N ATOM 1541 CA ILE A 95 102.911 -0.857 -0.707 1.00 0.00 C ATOM 1542 C ILE A 95 103.988 -1.335 0.256 1.00 0.00 C ATOM 1543 O ILE A 95 104.938 -0.637 0.551 1.00 0.00 O ATOM 1544 CB ILE A 95 101.742 -0.285 0.092 1.00 0.00 C ATOM 1545 CG1 ILE A 95 101.090 -1.399 0.919 1.00 0.00 C ATOM 1546 CG2 ILE A 95 100.716 0.315 -0.870 1.00 0.00 C ATOM 1547 CD1 ILE A 95 99.810 -0.870 1.574 1.00 0.00 C ATOM 0 H ILE A 95 101.599 -2.473 -1.192 1.00 0.00 H new ATOM 0 HA ILE A 95 103.311 -0.084 -1.363 1.00 0.00 H new ATOM 0 HB ILE A 95 102.105 0.493 0.764 1.00 0.00 H new ATOM 0 HG12 ILE A 95 100.858 -2.252 0.281 1.00 0.00 H new ATOM 0 HG13 ILE A 95 101.783 -1.752 1.683 1.00 0.00 H new ATOM 0 HG21 ILE A 95 99.880 0.724 -0.302 1.00 0.00 H new ATOM 0 HG22 ILE A 95 101.183 1.110 -1.451 1.00 0.00 H new ATOM 0 HG23 ILE A 95 100.352 -0.461 -1.544 1.00 0.00 H new ATOM 0 HD11 ILE A 95 99.347 -1.663 2.162 1.00 0.00 H new ATOM 0 HD12 ILE A 95 100.055 -0.031 2.226 1.00 0.00 H new ATOM 0 HD13 ILE A 95 99.116 -0.539 0.801 1.00 0.00 H new ATOM 1559 N LEU A 96 103.837 -2.525 0.745 1.00 0.00 N ATOM 1560 CA LEU A 96 104.835 -3.080 1.694 1.00 0.00 C ATOM 1561 C LEU A 96 106.093 -3.481 0.916 1.00 0.00 C ATOM 1562 O LEU A 96 107.171 -3.589 1.466 1.00 0.00 O ATOM 1563 CB LEU A 96 104.215 -4.309 2.382 1.00 0.00 C ATOM 1564 CG LEU A 96 103.531 -3.898 3.704 1.00 0.00 C ATOM 1565 CD1 LEU A 96 102.466 -4.935 4.078 1.00 0.00 C ATOM 1566 CD2 LEU A 96 104.572 -3.816 4.831 1.00 0.00 C ATOM 0 H LEU A 96 103.058 -3.146 0.527 1.00 0.00 H new ATOM 0 HA LEU A 96 105.109 -2.341 2.447 1.00 0.00 H new ATOM 0 HB2 LEU A 96 103.487 -4.776 1.719 1.00 0.00 H new ATOM 0 HB3 LEU A 96 104.988 -5.051 2.581 1.00 0.00 H new ATOM 0 HG LEU A 96 103.064 -2.922 3.571 1.00 0.00 H new ATOM 0 HD11 LEU A 96 101.985 -4.642 5.011 1.00 0.00 H new ATOM 0 HD12 LEU A 96 101.719 -4.991 3.287 1.00 0.00 H new ATOM 0 HD13 LEU A 96 102.936 -5.911 4.202 1.00 0.00 H new ATOM 0 HD21 LEU A 96 104.081 -3.525 5.760 1.00 0.00 H new ATOM 0 HD22 LEU A 96 105.046 -4.789 4.960 1.00 0.00 H new ATOM 0 HD23 LEU A 96 105.329 -3.075 4.574 1.00 0.00 H new ATOM 1681 N TRP B 2 88.044 -15.139 9.637 1.00 0.00 N ATOM 1682 CA TRP B 2 88.512 -13.747 9.383 1.00 0.00 C ATOM 1683 C TRP B 2 89.811 -13.786 8.570 1.00 0.00 C ATOM 1684 O TRP B 2 90.301 -14.835 8.200 1.00 0.00 O ATOM 1685 CB TRP B 2 88.767 -13.038 10.730 1.00 0.00 C ATOM 1686 CG TRP B 2 87.512 -12.396 11.232 1.00 0.00 C ATOM 1687 CD1 TRP B 2 86.693 -12.918 12.170 1.00 0.00 C ATOM 1688 CD2 TRP B 2 86.932 -11.118 10.846 1.00 0.00 C ATOM 1689 NE1 TRP B 2 85.644 -12.042 12.385 1.00 0.00 N ATOM 1690 CE2 TRP B 2 85.747 -10.916 11.591 1.00 0.00 C ATOM 1691 CE3 TRP B 2 87.316 -10.125 9.929 1.00 0.00 C ATOM 1692 CZ2 TRP B 2 84.972 -9.766 11.433 1.00 0.00 C ATOM 1693 CZ3 TRP B 2 86.539 -8.967 9.767 1.00 0.00 C ATOM 1694 CH2 TRP B 2 85.371 -8.788 10.518 1.00 0.00 C ATOM 0 HA TRP B 2 87.751 -13.202 8.824 1.00 0.00 H new ATOM 0 HB2 TRP B 2 89.132 -13.758 11.463 1.00 0.00 H new ATOM 0 HB3 TRP B 2 89.545 -12.284 10.609 1.00 0.00 H new ATOM 0 HD1 TRP B 2 86.834 -13.865 12.671 1.00 0.00 H new ATOM 0 HE1 TRP B 2 84.887 -12.207 13.049 1.00 0.00 H new ATOM 0 HE3 TRP B 2 88.215 -10.253 9.345 1.00 0.00 H new ATOM 0 HZ2 TRP B 2 84.071 -9.633 12.013 1.00 0.00 H new ATOM 0 HZ3 TRP B 2 86.844 -8.210 9.059 1.00 0.00 H new ATOM 0 HH2 TRP B 2 84.778 -7.894 10.390 1.00 0.00 H new ATOM 1705 N VAL B 3 90.369 -12.639 8.303 1.00 0.00 N ATOM 1706 CA VAL B 3 91.636 -12.562 7.531 1.00 0.00 C ATOM 1707 C VAL B 3 92.330 -11.248 7.900 1.00 0.00 C ATOM 1708 O VAL B 3 91.696 -10.218 8.019 1.00 0.00 O ATOM 1709 CB VAL B 3 91.329 -12.614 6.030 1.00 0.00 C ATOM 1710 CG1 VAL B 3 90.150 -11.697 5.726 1.00 0.00 C ATOM 1711 CG2 VAL B 3 92.557 -12.161 5.229 1.00 0.00 C ATOM 0 H VAL B 3 89.992 -11.737 8.593 1.00 0.00 H new ATOM 0 HA VAL B 3 92.288 -13.402 7.769 1.00 0.00 H new ATOM 0 HB VAL B 3 91.080 -13.637 5.747 1.00 0.00 H new ATOM 0 HG11 VAL B 3 89.928 -11.731 4.659 1.00 0.00 H new ATOM 0 HG12 VAL B 3 89.277 -12.028 6.289 1.00 0.00 H new ATOM 0 HG13 VAL B 3 90.400 -10.675 6.012 1.00 0.00 H new ATOM 0 HG21 VAL B 3 92.331 -12.201 4.163 1.00 0.00 H new ATOM 0 HG22 VAL B 3 92.816 -11.140 5.507 1.00 0.00 H new ATOM 0 HG23 VAL B 3 93.397 -12.821 5.447 1.00 0.00 H new ATOM 1745 N SER B 5 96.212 -8.703 7.663 1.00 0.00 N ATOM 1746 CA SER B 5 97.182 -8.223 6.629 1.00 0.00 C ATOM 1747 C SER B 5 98.583 -8.135 7.263 1.00 0.00 C ATOM 1748 O SER B 5 98.689 -7.938 8.457 1.00 0.00 O ATOM 1749 CB SER B 5 96.747 -6.829 6.171 1.00 0.00 C ATOM 1750 OG SER B 5 96.311 -6.081 7.298 1.00 0.00 O ATOM 0 HA SER B 5 97.206 -8.907 5.781 1.00 0.00 H new ATOM 0 HB2 SER B 5 97.576 -6.319 5.680 1.00 0.00 H new ATOM 0 HB3 SER B 5 95.943 -6.908 5.439 1.00 0.00 H new ATOM 0 HG SER B 5 95.930 -6.688 7.966 1.00 0.00 H new ATOM 1756 N PRO B 6 99.629 -8.265 6.465 1.00 0.00 N ATOM 1757 CA PRO B 6 101.001 -8.174 6.997 1.00 0.00 C ATOM 1758 C PRO B 6 101.191 -6.818 7.691 1.00 0.00 C ATOM 1759 O PRO B 6 102.013 -6.671 8.574 1.00 0.00 O ATOM 1760 CB PRO B 6 101.922 -8.314 5.760 1.00 0.00 C ATOM 1761 CG PRO B 6 101.004 -8.412 4.506 1.00 0.00 C ATOM 1762 CD PRO B 6 99.546 -8.506 5.006 1.00 0.00 C ATOM 0 HA PRO B 6 101.223 -8.941 7.739 1.00 0.00 H new ATOM 0 HB2 PRO B 6 102.591 -7.457 5.680 1.00 0.00 H new ATOM 0 HB3 PRO B 6 102.549 -9.201 5.847 1.00 0.00 H new ATOM 0 HG2 PRO B 6 101.135 -7.539 3.866 1.00 0.00 H new ATOM 0 HG3 PRO B 6 101.262 -9.287 3.909 1.00 0.00 H new ATOM 0 HD2 PRO B 6 98.912 -7.765 4.518 1.00 0.00 H new ATOM 0 HD3 PRO B 6 99.116 -9.484 4.791 1.00 0.00 H new ATOM 1770 N LEU B 7 100.435 -5.827 7.297 1.00 0.00 N ATOM 1771 CA LEU B 7 100.570 -4.487 7.931 1.00 0.00 C ATOM 1772 C LEU B 7 100.564 -4.640 9.453 1.00 0.00 C ATOM 1773 O LEU B 7 99.629 -5.159 10.030 1.00 0.00 O ATOM 1774 CB LEU B 7 99.397 -3.597 7.506 1.00 0.00 C ATOM 1775 CG LEU B 7 99.361 -3.457 5.973 1.00 0.00 C ATOM 1776 CD1 LEU B 7 97.953 -3.049 5.526 1.00 0.00 C ATOM 1777 CD2 LEU B 7 100.358 -2.382 5.518 1.00 0.00 C ATOM 0 H LEU B 7 99.730 -5.890 6.563 1.00 0.00 H new ATOM 0 HA LEU B 7 101.507 -4.030 7.613 1.00 0.00 H new ATOM 0 HB2 LEU B 7 98.460 -4.025 7.861 1.00 0.00 H new ATOM 0 HB3 LEU B 7 99.493 -2.613 7.966 1.00 0.00 H new ATOM 0 HG LEU B 7 99.630 -4.415 5.527 1.00 0.00 H new ATOM 0 HD11 LEU B 7 97.930 -2.951 4.441 1.00 0.00 H new ATOM 0 HD12 LEU B 7 97.238 -3.811 5.836 1.00 0.00 H new ATOM 0 HD13 LEU B 7 97.688 -2.095 5.982 1.00 0.00 H new ATOM 0 HD21 LEU B 7 100.325 -2.291 4.432 1.00 0.00 H new ATOM 0 HD22 LEU B 7 100.094 -1.426 5.971 1.00 0.00 H new ATOM 0 HD23 LEU B 7 101.364 -2.665 5.828 1.00 0.00 H new