USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 594 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 SER OG : rot 160:sc= -0.118 USER MOD Set 1.2: A 57 MET CE :methyl 162:sc= -4.03! (180deg=-4.59!) USER MOD Single : A 24 GLN : amide:sc= -1.26 K(o=-1.3,f=-0.12) USER MOD Single : A 26 LYS NZ :NH3+ -165:sc= -0.0376 (180deg=-0.258) USER MOD Single : A 30 GLN : amide:sc= -7.07! C(o=-7.1!,f=-8.1!) USER MOD Single : A 32 GLN : amide:sc= -2.07! C(o=-2.1!,f=-7!) USER MOD Single : A 33 GLN : amide:sc= -4.56! K(o=-4.6!,f=-2) USER MOD Single : A 36 GLN : amide:sc= -1.09 K(o=-1.1,f=-0.00079) USER MOD Single : A 38 THR OG1 : rot -83:sc= 0.323 USER MOD Single : A 43 CYS SG : rot 140:sc= -3.43! USER MOD Single : A 45 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00712) USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -1.04 K(o=-1,f=-0.0018) USER MOD Single : A 48 ASN : amide:sc= 0.571 K(o=0.57,f=-7.6!) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot -140:sc= -0.0268 USER MOD Single : A 54 SER OG : rot 70:sc= -0.782 USER MOD Single : A 55 ASN : amide:sc= -1.02 K(o=-1,f=-0.004) USER MOD Single : A 60 THR OG1 : rot -120:sc= 0.896 USER MOD Single : A 64 GLN : amide:sc= -0.674 X(o=-0.67,f=-0.8) USER MOD Single : A 65 LYS NZ :NH3+ 167:sc= 1.23 (180deg=0.944) USER MOD Single : A 67 TYR OH : rot 21:sc= 0.0491 USER MOD Single : A 70 MET CE :methyl 136:sc= -0.918 (180deg=-3.62!) USER MOD Single : A 71 GLN : amide:sc= -1.36! K(o=-1.4!,f=-0.0023) USER MOD Single : A 74 LYS NZ :NH3+ -114:sc= 1.03 (180deg=-2.14!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -122:sc= 0.531 (180deg=-0.324) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 153:sc= -3.34! (180deg=-4.85!) USER MOD Single : A 87 TYR OH : rot -60:sc= -0.888 USER MOD Single : A 89 ASN : amide:sc= -0.0669 K(o=-0.067,f=-0.68) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.141 USER MOD Single : A 93 TYR OH : rot 46:sc= 1.32 USER MOD ----------------------------------------------------------------- ATOM 46 N VAL A 22 10.256 -3.893 -8.273 1.00 0.00 N ATOM 47 CA VAL A 22 11.270 -2.928 -7.862 1.00 0.00 C ATOM 48 C VAL A 22 11.202 -2.747 -6.343 1.00 0.00 C ATOM 49 O VAL A 22 12.048 -2.103 -5.727 1.00 0.00 O ATOM 50 CB VAL A 22 11.083 -1.563 -8.570 1.00 0.00 C ATOM 51 CG1 VAL A 22 9.798 -0.892 -8.137 1.00 0.00 C ATOM 52 CG2 VAL A 22 12.280 -0.649 -8.336 1.00 0.00 C ATOM 0 HA VAL A 22 12.248 -3.312 -8.150 1.00 0.00 H new ATOM 0 HB VAL A 22 11.015 -1.756 -9.641 1.00 0.00 H new ATOM 0 HG11 VAL A 22 9.695 0.064 -8.651 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.951 -1.531 -8.387 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.820 -0.724 -7.060 1.00 0.00 H new ATOM 0 HG21 VAL A 22 12.118 0.301 -8.846 1.00 0.00 H new ATOM 0 HG22 VAL A 22 12.399 -0.471 -7.267 1.00 0.00 H new ATOM 0 HG23 VAL A 22 13.181 -1.122 -8.728 1.00 0.00 H new ATOM 62 N LEU A 23 10.181 -3.354 -5.751 1.00 0.00 N ATOM 63 CA LEU A 23 9.929 -3.248 -4.325 1.00 0.00 C ATOM 64 C LEU A 23 10.832 -4.206 -3.555 1.00 0.00 C ATOM 65 O LEU A 23 10.412 -5.294 -3.157 1.00 0.00 O ATOM 66 CB LEU A 23 8.460 -3.565 -4.040 1.00 0.00 C ATOM 67 CG LEU A 23 7.462 -3.007 -5.064 1.00 0.00 C ATOM 68 CD1 LEU A 23 6.036 -3.346 -4.666 1.00 0.00 C ATOM 69 CD2 LEU A 23 7.630 -1.502 -5.222 1.00 0.00 C ATOM 0 H LEU A 23 9.505 -3.933 -6.249 1.00 0.00 H new ATOM 0 HA LEU A 23 10.147 -2.231 -3.999 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.341 -4.647 -3.992 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.204 -3.173 -3.056 1.00 0.00 H new ATOM 0 HG LEU A 23 7.670 -3.475 -6.026 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.346 -2.941 -5.406 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.920 -4.429 -4.616 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.818 -2.912 -3.690 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.912 -1.130 -5.953 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.457 -1.014 -4.263 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.642 -1.283 -5.564 1.00 0.00 H new ATOM 81 N GLN A 24 12.077 -3.802 -3.363 1.00 0.00 N ATOM 82 CA GLN A 24 13.046 -4.620 -2.654 1.00 0.00 C ATOM 83 C GLN A 24 13.027 -4.321 -1.161 1.00 0.00 C ATOM 84 O GLN A 24 13.510 -3.280 -0.715 1.00 0.00 O ATOM 85 CB GLN A 24 14.450 -4.397 -3.219 1.00 0.00 C ATOM 86 CG GLN A 24 14.637 -4.950 -4.624 1.00 0.00 C ATOM 87 CD GLN A 24 14.568 -6.467 -4.673 1.00 0.00 C ATOM 88 OE1 GLN A 24 14.129 -7.047 -5.666 1.00 0.00 O ATOM 89 NE2 GLN A 24 15.023 -7.122 -3.612 1.00 0.00 N ATOM 0 H GLN A 24 12.441 -2.907 -3.690 1.00 0.00 H new ATOM 0 HA GLN A 24 12.771 -5.665 -2.796 1.00 0.00 H new ATOM 0 HB2 GLN A 24 14.664 -3.328 -3.227 1.00 0.00 H new ATOM 0 HB3 GLN A 24 15.178 -4.863 -2.555 1.00 0.00 H new ATOM 0 HG2 GLN A 24 13.870 -4.535 -5.278 1.00 0.00 H new ATOM 0 HG3 GLN A 24 15.601 -4.622 -5.014 1.00 0.00 H new ATOM 0 HE21 GLN A 24 15.379 -6.605 -2.808 1.00 0.00 H new ATOM 0 HE22 GLN A 24 15.017 -8.142 -3.601 1.00 0.00 H new ATOM 98 N PHE A 25 12.451 -5.232 -0.391 1.00 0.00 N ATOM 99 CA PHE A 25 12.414 -5.083 1.053 1.00 0.00 C ATOM 100 C PHE A 25 13.723 -5.558 1.648 1.00 0.00 C ATOM 101 O PHE A 25 14.184 -6.668 1.380 1.00 0.00 O ATOM 102 CB PHE A 25 11.233 -5.853 1.652 1.00 0.00 C ATOM 103 CG PHE A 25 9.938 -5.561 0.953 1.00 0.00 C ATOM 104 CD1 PHE A 25 9.322 -4.330 1.101 1.00 0.00 C ATOM 105 CD2 PHE A 25 9.321 -6.525 0.172 1.00 0.00 C ATOM 106 CE1 PHE A 25 8.119 -4.062 0.480 1.00 0.00 C ATOM 107 CE2 PHE A 25 8.118 -6.262 -0.455 1.00 0.00 C ATOM 108 CZ PHE A 25 7.566 -5.012 -0.387 1.00 0.00 C ATOM 0 H PHE A 25 12.005 -6.079 -0.742 1.00 0.00 H new ATOM 0 HA PHE A 25 12.278 -4.029 1.294 1.00 0.00 H new ATOM 0 HB2 PHE A 25 11.437 -6.922 1.599 1.00 0.00 H new ATOM 0 HB3 PHE A 25 11.137 -5.599 2.708 1.00 0.00 H new ATOM 0 HD1 PHE A 25 9.789 -3.570 1.710 1.00 0.00 H new ATOM 0 HD2 PHE A 25 9.785 -7.493 0.052 1.00 0.00 H new ATOM 0 HE1 PHE A 25 7.609 -3.128 0.661 1.00 0.00 H new ATOM 0 HE2 PHE A 25 7.612 -7.045 -1.000 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.711 -4.760 -0.997 1.00 0.00 H new ATOM 118 N LYS A 26 14.319 -4.668 2.430 1.00 0.00 N ATOM 119 CA LYS A 26 15.576 -4.916 3.110 1.00 0.00 C ATOM 120 C LYS A 26 15.515 -6.200 3.925 1.00 0.00 C ATOM 121 O LYS A 26 16.484 -6.951 3.990 1.00 0.00 O ATOM 122 CB LYS A 26 15.892 -3.704 3.999 1.00 0.00 C ATOM 123 CG LYS A 26 16.475 -4.035 5.362 1.00 0.00 C ATOM 124 CD LYS A 26 15.464 -3.766 6.467 1.00 0.00 C ATOM 125 CE LYS A 26 15.172 -2.278 6.612 1.00 0.00 C ATOM 126 NZ LYS A 26 16.378 -1.508 7.020 1.00 0.00 N ATOM 0 H LYS A 26 13.934 -3.741 2.610 1.00 0.00 H new ATOM 0 HA LYS A 26 16.372 -5.048 2.377 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.592 -3.058 3.469 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.976 -3.131 4.143 1.00 0.00 H new ATOM 0 HG2 LYS A 26 16.777 -5.082 5.388 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.372 -3.440 5.532 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.538 -4.299 6.251 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.844 -4.156 7.411 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.797 -1.889 5.665 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.383 -2.134 7.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.092 -0.565 7.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.868 -2.011 7.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.019 -1.410 6.207 1.00 0.00 H new ATOM 140 N ASP A 27 14.358 -6.434 4.521 1.00 0.00 N ATOM 141 CA ASP A 27 14.105 -7.611 5.335 1.00 0.00 C ATOM 142 C ASP A 27 12.612 -7.787 5.480 1.00 0.00 C ATOM 143 O ASP A 27 11.847 -6.983 4.932 1.00 0.00 O ATOM 144 CB ASP A 27 14.725 -7.473 6.720 1.00 0.00 C ATOM 145 CG ASP A 27 16.130 -8.023 6.810 1.00 0.00 C ATOM 146 OD1 ASP A 27 16.350 -9.178 6.392 1.00 0.00 O ATOM 147 OD2 ASP A 27 17.017 -7.315 7.334 1.00 0.00 O ATOM 0 H ASP A 27 13.558 -5.804 4.452 1.00 0.00 H new ATOM 0 HA ASP A 27 14.554 -8.475 4.845 1.00 0.00 H new ATOM 0 HB2 ASP A 27 14.737 -6.420 7.000 1.00 0.00 H new ATOM 0 HB3 ASP A 27 14.095 -7.989 7.444 1.00 0.00 H new ATOM 152 N GLU A 28 12.184 -8.794 6.226 1.00 0.00 N ATOM 153 CA GLU A 28 10.771 -8.926 6.550 1.00 0.00 C ATOM 154 C GLU A 28 10.323 -7.689 7.317 1.00 0.00 C ATOM 155 O GLU A 28 9.176 -7.273 7.227 1.00 0.00 O ATOM 156 CB GLU A 28 10.481 -10.194 7.367 1.00 0.00 C ATOM 157 CG GLU A 28 11.041 -10.181 8.786 1.00 0.00 C ATOM 158 CD GLU A 28 12.548 -10.307 8.830 1.00 0.00 C ATOM 159 OE1 GLU A 28 13.055 -11.442 8.768 1.00 0.00 O ATOM 160 OE2 GLU A 28 13.230 -9.266 8.934 1.00 0.00 O ATOM 0 H GLU A 28 12.784 -9.522 6.614 1.00 0.00 H new ATOM 0 HA GLU A 28 10.212 -9.015 5.618 1.00 0.00 H new ATOM 0 HB2 GLU A 28 9.402 -10.338 7.418 1.00 0.00 H new ATOM 0 HB3 GLU A 28 10.892 -11.053 6.837 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.745 -9.255 9.279 1.00 0.00 H new ATOM 0 HG3 GLU A 28 10.597 -10.999 9.353 1.00 0.00 H new ATOM 167 N ALA A 29 11.266 -7.093 8.046 1.00 0.00 N ATOM 168 CA ALA A 29 11.017 -5.866 8.789 1.00 0.00 C ATOM 169 C ALA A 29 10.549 -4.742 7.870 1.00 0.00 C ATOM 170 O ALA A 29 9.646 -3.985 8.224 1.00 0.00 O ATOM 171 CB ALA A 29 12.269 -5.436 9.534 1.00 0.00 C ATOM 0 H ALA A 29 12.218 -7.448 8.136 1.00 0.00 H new ATOM 0 HA ALA A 29 10.223 -6.070 9.507 1.00 0.00 H new ATOM 0 HB1 ALA A 29 12.067 -4.517 10.085 1.00 0.00 H new ATOM 0 HB2 ALA A 29 12.565 -6.220 10.232 1.00 0.00 H new ATOM 0 HB3 ALA A 29 13.075 -5.262 8.821 1.00 0.00 H new ATOM 177 N GLN A 30 11.155 -4.635 6.686 1.00 0.00 N ATOM 178 CA GLN A 30 10.745 -3.609 5.732 1.00 0.00 C ATOM 179 C GLN A 30 9.369 -3.956 5.187 1.00 0.00 C ATOM 180 O GLN A 30 8.555 -3.084 4.882 1.00 0.00 O ATOM 181 CB GLN A 30 11.735 -3.476 4.566 1.00 0.00 C ATOM 182 CG GLN A 30 11.679 -2.098 3.931 1.00 0.00 C ATOM 183 CD GLN A 30 12.725 -1.879 2.862 1.00 0.00 C ATOM 184 OE1 GLN A 30 13.850 -1.483 3.151 1.00 0.00 O ATOM 185 NE2 GLN A 30 12.351 -2.102 1.615 1.00 0.00 N ATOM 0 H GLN A 30 11.917 -5.235 6.371 1.00 0.00 H new ATOM 0 HA GLN A 30 10.722 -2.654 6.257 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.746 -3.670 4.924 1.00 0.00 H new ATOM 0 HB3 GLN A 30 11.513 -4.232 3.813 1.00 0.00 H new ATOM 0 HG2 GLN A 30 10.691 -1.948 3.496 1.00 0.00 H new ATOM 0 HG3 GLN A 30 11.803 -1.344 4.708 1.00 0.00 H new ATOM 0 HE21 GLN A 30 11.406 -2.431 1.417 1.00 0.00 H new ATOM 0 HE22 GLN A 30 13.007 -1.945 0.850 1.00 0.00 H new ATOM 194 N GLU A 31 9.120 -5.251 5.092 1.00 0.00 N ATOM 195 CA GLU A 31 7.849 -5.755 4.612 1.00 0.00 C ATOM 196 C GLU A 31 6.769 -5.617 5.694 1.00 0.00 C ATOM 197 O GLU A 31 5.582 -5.642 5.397 1.00 0.00 O ATOM 198 CB GLU A 31 8.010 -7.211 4.158 1.00 0.00 C ATOM 199 CG GLU A 31 6.699 -7.904 3.826 1.00 0.00 C ATOM 200 CD GLU A 31 6.885 -9.346 3.410 1.00 0.00 C ATOM 201 OE1 GLU A 31 7.514 -10.111 4.170 1.00 0.00 O ATOM 202 OE2 GLU A 31 6.420 -9.715 2.314 1.00 0.00 O ATOM 0 H GLU A 31 9.790 -5.977 5.344 1.00 0.00 H new ATOM 0 HA GLU A 31 7.527 -5.163 3.756 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.656 -7.238 3.280 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.517 -7.772 4.943 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.042 -7.864 4.695 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.200 -7.361 3.023 1.00 0.00 H new ATOM 209 N GLN A 32 7.185 -5.455 6.947 1.00 0.00 N ATOM 210 CA GLN A 32 6.248 -5.208 8.043 1.00 0.00 C ATOM 211 C GLN A 32 5.637 -3.817 7.914 1.00 0.00 C ATOM 212 O GLN A 32 4.454 -3.621 8.183 1.00 0.00 O ATOM 213 CB GLN A 32 6.952 -5.323 9.394 1.00 0.00 C ATOM 214 CG GLN A 32 7.524 -6.700 9.674 1.00 0.00 C ATOM 215 CD GLN A 32 8.105 -6.820 11.068 1.00 0.00 C ATOM 216 OE1 GLN A 32 9.290 -6.576 11.286 1.00 0.00 O ATOM 217 NE2 GLN A 32 7.269 -7.184 12.024 1.00 0.00 N ATOM 0 H GLN A 32 8.164 -5.490 7.230 1.00 0.00 H new ATOM 0 HA GLN A 32 5.460 -5.959 7.986 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.758 -4.590 9.436 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.246 -5.066 10.184 1.00 0.00 H new ATOM 0 HG2 GLN A 32 6.741 -7.447 9.546 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.300 -6.922 8.941 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.293 -7.378 11.801 1.00 0.00 H new ATOM 0 HE22 GLN A 32 7.600 -7.271 12.985 1.00 0.00 H new ATOM 226 N GLN A 33 6.452 -2.847 7.518 1.00 0.00 N ATOM 227 CA GLN A 33 5.939 -1.515 7.229 1.00 0.00 C ATOM 228 C GLN A 33 5.013 -1.587 6.032 1.00 0.00 C ATOM 229 O GLN A 33 3.908 -1.051 6.050 1.00 0.00 O ATOM 230 CB GLN A 33 7.071 -0.530 6.943 1.00 0.00 C ATOM 231 CG GLN A 33 6.573 0.875 6.654 1.00 0.00 C ATOM 232 CD GLN A 33 7.695 1.892 6.567 1.00 0.00 C ATOM 233 OE1 GLN A 33 8.732 1.749 7.211 1.00 0.00 O ATOM 234 NE2 GLN A 33 7.489 2.933 5.777 1.00 0.00 N ATOM 0 H GLN A 33 7.458 -2.955 7.391 1.00 0.00 H new ATOM 0 HA GLN A 33 5.397 -1.158 8.105 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.746 -0.502 7.798 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.650 -0.887 6.091 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.018 0.873 5.716 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.876 1.176 7.436 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.614 3.015 5.259 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.205 3.654 5.686 1.00 0.00 H new ATOM 243 N PHE A 34 5.475 -2.291 5.007 1.00 0.00 N ATOM 244 CA PHE A 34 4.694 -2.526 3.806 1.00 0.00 C ATOM 245 C PHE A 34 3.385 -3.215 4.167 1.00 0.00 C ATOM 246 O PHE A 34 2.335 -2.901 3.616 1.00 0.00 O ATOM 247 CB PHE A 34 5.517 -3.391 2.842 1.00 0.00 C ATOM 248 CG PHE A 34 4.792 -3.822 1.600 1.00 0.00 C ATOM 249 CD1 PHE A 34 4.661 -2.960 0.524 1.00 0.00 C ATOM 250 CD2 PHE A 34 4.261 -5.099 1.505 1.00 0.00 C ATOM 251 CE1 PHE A 34 4.015 -3.364 -0.626 1.00 0.00 C ATOM 252 CE2 PHE A 34 3.611 -5.508 0.359 1.00 0.00 C ATOM 253 CZ PHE A 34 3.489 -4.640 -0.708 1.00 0.00 C ATOM 0 H PHE A 34 6.403 -2.714 4.988 1.00 0.00 H new ATOM 0 HA PHE A 34 4.456 -1.579 3.322 1.00 0.00 H new ATOM 0 HB2 PHE A 34 6.408 -2.836 2.550 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.855 -4.280 3.374 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.069 -1.962 0.586 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.357 -5.781 2.337 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.920 -2.685 -1.461 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.199 -6.504 0.297 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.982 -4.958 -1.607 1.00 0.00 H new ATOM 263 N ARG A 35 3.476 -4.137 5.115 1.00 0.00 N ATOM 264 CA ARG A 35 2.334 -4.887 5.617 1.00 0.00 C ATOM 265 C ARG A 35 1.219 -3.947 6.059 1.00 0.00 C ATOM 266 O ARG A 35 0.089 -4.049 5.596 1.00 0.00 O ATOM 267 CB ARG A 35 2.805 -5.696 6.825 1.00 0.00 C ATOM 268 CG ARG A 35 2.260 -7.102 6.941 1.00 0.00 C ATOM 269 CD ARG A 35 2.805 -8.001 5.848 1.00 0.00 C ATOM 270 NE ARG A 35 2.155 -7.796 4.553 1.00 0.00 N ATOM 271 CZ ARG A 35 2.573 -8.369 3.422 1.00 0.00 C ATOM 272 NH1 ARG A 35 3.603 -9.207 3.439 1.00 0.00 N ATOM 273 NH2 ARG A 35 1.945 -8.126 2.277 1.00 0.00 N ATOM 0 H ARG A 35 4.357 -4.388 5.563 1.00 0.00 H new ATOM 0 HA ARG A 35 1.947 -5.533 4.829 1.00 0.00 H new ATOM 0 HB2 ARG A 35 3.893 -5.752 6.797 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.537 -5.149 7.729 1.00 0.00 H new ATOM 0 HG2 ARG A 35 2.519 -7.515 7.916 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.172 -7.077 6.884 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.875 -7.824 5.742 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.682 -9.042 6.148 1.00 0.00 H new ATOM 0 HE ARG A 35 1.340 -7.184 4.512 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.077 -9.415 4.318 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.920 -9.643 2.573 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.140 -7.500 2.260 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.268 -8.566 1.415 1.00 0.00 H new ATOM 287 N GLN A 36 1.565 -2.999 6.920 1.00 0.00 N ATOM 288 CA GLN A 36 0.589 -2.055 7.456 1.00 0.00 C ATOM 289 C GLN A 36 0.175 -1.048 6.397 1.00 0.00 C ATOM 290 O GLN A 36 -1.001 -0.706 6.276 1.00 0.00 O ATOM 291 CB GLN A 36 1.160 -1.326 8.676 1.00 0.00 C ATOM 292 CG GLN A 36 1.684 -2.264 9.753 1.00 0.00 C ATOM 293 CD GLN A 36 2.278 -1.530 10.943 1.00 0.00 C ATOM 294 OE1 GLN A 36 2.255 -2.031 12.070 1.00 0.00 O ATOM 295 NE2 GLN A 36 2.816 -0.342 10.704 1.00 0.00 N ATOM 0 H GLN A 36 2.516 -2.862 7.264 1.00 0.00 H new ATOM 0 HA GLN A 36 -0.292 -2.619 7.763 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.968 -0.670 8.352 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.386 -0.690 9.105 1.00 0.00 H new ATOM 0 HG2 GLN A 36 0.871 -2.904 10.097 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.442 -2.917 9.321 1.00 0.00 H new ATOM 0 HE21 GLN A 36 2.815 0.037 9.757 1.00 0.00 H new ATOM 0 HE22 GLN A 36 3.231 0.193 11.467 1.00 0.00 H new ATOM 304 N LEU A 37 1.148 -0.601 5.615 1.00 0.00 N ATOM 305 CA LEU A 37 0.923 0.439 4.624 1.00 0.00 C ATOM 306 C LEU A 37 -0.016 -0.041 3.516 1.00 0.00 C ATOM 307 O LEU A 37 -0.650 0.767 2.843 1.00 0.00 O ATOM 308 CB LEU A 37 2.259 0.925 4.041 1.00 0.00 C ATOM 309 CG LEU A 37 3.197 1.628 5.029 1.00 0.00 C ATOM 310 CD1 LEU A 37 4.420 2.172 4.306 1.00 0.00 C ATOM 311 CD2 LEU A 37 2.478 2.735 5.780 1.00 0.00 C ATOM 0 H LEU A 37 2.107 -0.946 5.650 1.00 0.00 H new ATOM 0 HA LEU A 37 0.439 1.279 5.122 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.783 0.068 3.617 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.049 1.609 3.218 1.00 0.00 H new ATOM 0 HG LEU A 37 3.527 0.892 5.762 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.075 2.668 5.022 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.957 1.351 3.831 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.105 2.887 3.546 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.170 3.214 6.473 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.106 3.474 5.070 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.641 2.313 6.337 1.00 0.00 H new ATOM 323 N THR A 38 -0.106 -1.355 3.327 1.00 0.00 N ATOM 324 CA THR A 38 -1.002 -1.904 2.321 1.00 0.00 C ATOM 325 C THR A 38 -2.330 -2.366 2.923 1.00 0.00 C ATOM 326 O THR A 38 -3.304 -2.557 2.195 1.00 0.00 O ATOM 327 CB THR A 38 -0.370 -3.078 1.550 1.00 0.00 C ATOM 328 OG1 THR A 38 0.314 -3.963 2.444 1.00 0.00 O ATOM 329 CG2 THR A 38 0.581 -2.575 0.480 1.00 0.00 C ATOM 0 H THR A 38 0.425 -2.050 3.852 1.00 0.00 H new ATOM 0 HA THR A 38 -1.190 -1.086 1.625 1.00 0.00 H new ATOM 0 HB THR A 38 -1.175 -3.629 1.063 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.210 -3.613 2.629 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.014 -3.423 -0.050 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.036 -1.947 -0.225 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.377 -1.993 0.945 1.00 0.00 H new ATOM 337 N GLU A 39 -2.379 -2.554 4.242 1.00 0.00 N ATOM 338 CA GLU A 39 -3.589 -3.074 4.870 1.00 0.00 C ATOM 339 C GLU A 39 -4.465 -1.966 5.451 1.00 0.00 C ATOM 340 O GLU A 39 -5.672 -2.151 5.609 1.00 0.00 O ATOM 341 CB GLU A 39 -3.252 -4.123 5.933 1.00 0.00 C ATOM 342 CG GLU A 39 -2.650 -5.388 5.342 1.00 0.00 C ATOM 343 CD GLU A 39 -2.652 -6.559 6.301 1.00 0.00 C ATOM 344 OE1 GLU A 39 -3.659 -7.292 6.353 1.00 0.00 O ATOM 345 OE2 GLU A 39 -1.650 -6.735 7.032 1.00 0.00 O ATOM 0 H GLU A 39 -1.611 -2.358 4.884 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.169 -3.558 4.084 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.553 -3.694 6.651 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.157 -4.380 6.484 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.206 -5.661 4.445 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.625 -5.183 5.032 1.00 0.00 H new ATOM 352 N GLU A 40 -3.882 -0.814 5.754 1.00 0.00 N ATOM 353 CA GLU A 40 -4.679 0.311 6.232 1.00 0.00 C ATOM 354 C GLU A 40 -5.060 1.211 5.058 1.00 0.00 C ATOM 355 O GLU A 40 -4.853 2.421 5.079 1.00 0.00 O ATOM 356 CB GLU A 40 -3.938 1.111 7.308 1.00 0.00 C ATOM 357 CG GLU A 40 -4.849 2.060 8.076 1.00 0.00 C ATOM 358 CD GLU A 40 -4.132 2.827 9.165 1.00 0.00 C ATOM 359 OE1 GLU A 40 -3.679 2.197 10.141 1.00 0.00 O ATOM 360 OE2 GLU A 40 -4.048 4.069 9.075 1.00 0.00 O ATOM 0 H GLU A 40 -2.881 -0.634 5.680 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.586 -0.085 6.689 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.469 0.420 8.008 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.137 1.684 6.840 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.297 2.767 7.378 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.665 1.490 8.520 1.00 0.00 H new ATOM 367 N LEU A 41 -5.610 0.592 4.025 1.00 0.00 N ATOM 368 CA LEU A 41 -6.035 1.306 2.833 1.00 0.00 C ATOM 369 C LEU A 41 -7.304 0.680 2.276 1.00 0.00 C ATOM 370 O LEU A 41 -7.431 -0.545 2.218 1.00 0.00 O ATOM 371 CB LEU A 41 -4.920 1.296 1.779 1.00 0.00 C ATOM 372 CG LEU A 41 -5.311 1.836 0.402 1.00 0.00 C ATOM 373 CD1 LEU A 41 -5.935 3.214 0.522 1.00 0.00 C ATOM 374 CD2 LEU A 41 -4.097 1.873 -0.507 1.00 0.00 C ATOM 0 H LEU A 41 -5.773 -0.414 3.990 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.245 2.342 3.098 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.082 1.883 2.156 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.564 0.272 1.661 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.053 1.169 -0.036 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.205 3.579 -0.469 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.829 3.156 1.143 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.220 3.899 0.978 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.386 2.259 -1.485 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.336 2.521 -0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.695 0.866 -0.619 1.00 0.00 H new ATOM 386 N ARG A 42 -8.249 1.519 1.874 1.00 0.00 N ATOM 387 CA ARG A 42 -9.495 1.026 1.333 1.00 0.00 C ATOM 388 C ARG A 42 -9.403 0.781 -0.162 1.00 0.00 C ATOM 389 O ARG A 42 -9.310 1.717 -0.957 1.00 0.00 O ATOM 390 CB ARG A 42 -10.661 1.974 1.620 1.00 0.00 C ATOM 391 CG ARG A 42 -11.531 1.538 2.783 1.00 0.00 C ATOM 392 CD ARG A 42 -12.943 2.074 2.637 1.00 0.00 C ATOM 393 NE ARG A 42 -13.849 1.487 3.619 1.00 0.00 N ATOM 394 CZ ARG A 42 -14.976 0.848 3.311 1.00 0.00 C ATOM 395 NH1 ARG A 42 -15.363 0.736 2.047 1.00 0.00 N ATOM 396 NH2 ARG A 42 -15.726 0.327 4.269 1.00 0.00 N ATOM 0 H ARG A 42 -8.172 2.535 1.914 1.00 0.00 H new ATOM 0 HA ARG A 42 -9.686 0.077 1.835 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -10.266 2.969 1.826 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -11.279 2.056 0.726 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -11.555 0.450 2.836 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.098 1.893 3.718 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.934 3.158 2.753 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.310 1.864 1.632 1.00 0.00 H new ATOM 0 HE ARG A 42 -13.603 1.572 4.605 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.796 1.141 1.302 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -16.228 0.245 1.820 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -15.441 0.415 5.244 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -16.589 -0.162 4.032 1.00 0.00 H new ATOM 410 N CYS A 43 -9.410 -0.487 -0.525 1.00 0.00 N ATOM 411 CA CYS A 43 -9.582 -0.898 -1.902 1.00 0.00 C ATOM 412 C CYS A 43 -11.038 -1.308 -2.108 1.00 0.00 C ATOM 413 O CYS A 43 -11.490 -2.310 -1.548 1.00 0.00 O ATOM 414 CB CYS A 43 -8.633 -2.056 -2.217 1.00 0.00 C ATOM 415 SG CYS A 43 -8.469 -3.234 -0.857 1.00 0.00 S ATOM 0 H CYS A 43 -9.296 -1.261 0.129 1.00 0.00 H new ATOM 0 HA CYS A 43 -9.344 -0.077 -2.578 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -8.992 -2.581 -3.102 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -7.650 -1.655 -2.462 1.00 0.00 H new ATOM 0 HG CYS A 43 -8.440 -4.444 -1.332 1.00 0.00 H new ATOM 421 N PRO A 44 -11.795 -0.515 -2.881 1.00 0.00 N ATOM 422 CA PRO A 44 -13.247 -0.692 -3.050 1.00 0.00 C ATOM 423 C PRO A 44 -13.634 -1.945 -3.839 1.00 0.00 C ATOM 424 O PRO A 44 -14.364 -1.865 -4.828 1.00 0.00 O ATOM 425 CB PRO A 44 -13.684 0.569 -3.814 1.00 0.00 C ATOM 426 CG PRO A 44 -12.525 1.503 -3.739 1.00 0.00 C ATOM 427 CD PRO A 44 -11.306 0.637 -3.644 1.00 0.00 C ATOM 0 HA PRO A 44 -13.731 -0.823 -2.082 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.932 0.334 -4.849 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -14.574 1.011 -3.365 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -12.482 2.143 -4.620 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.607 2.159 -2.872 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -10.937 0.346 -4.628 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -10.487 1.144 -3.134 1.00 0.00 H new ATOM 435 N LYS A 45 -13.148 -3.096 -3.400 1.00 0.00 N ATOM 436 CA LYS A 45 -13.585 -4.364 -3.959 1.00 0.00 C ATOM 437 C LYS A 45 -14.589 -5.015 -3.023 1.00 0.00 C ATOM 438 O LYS A 45 -15.564 -5.614 -3.476 1.00 0.00 O ATOM 439 CB LYS A 45 -12.410 -5.313 -4.207 1.00 0.00 C ATOM 440 CG LYS A 45 -12.831 -6.633 -4.841 1.00 0.00 C ATOM 441 CD LYS A 45 -13.497 -6.414 -6.191 1.00 0.00 C ATOM 442 CE LYS A 45 -13.960 -7.719 -6.817 1.00 0.00 C ATOM 443 NZ LYS A 45 -12.821 -8.571 -7.258 1.00 0.00 N ATOM 0 H LYS A 45 -12.452 -3.177 -2.659 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.053 -4.162 -4.922 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.684 -4.821 -4.854 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -11.908 -5.515 -3.261 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -11.958 -7.274 -4.964 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.518 -7.155 -4.175 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.351 -5.747 -6.070 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.798 -5.917 -6.864 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.565 -8.270 -6.097 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -14.600 -7.502 -7.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -13.187 -9.426 -7.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -12.228 -8.039 -7.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -12.251 -8.844 -6.432 1.00 0.00 H new ATOM 457 N CYS A 46 -14.334 -4.884 -1.713 1.00 0.00 N ATOM 458 CA CYS A 46 -15.208 -5.423 -0.659 1.00 0.00 C ATOM 459 C CYS A 46 -15.118 -6.944 -0.585 1.00 0.00 C ATOM 460 O CYS A 46 -14.946 -7.521 0.489 1.00 0.00 O ATOM 461 CB CYS A 46 -16.661 -4.989 -0.885 1.00 0.00 C ATOM 462 SG CYS A 46 -16.876 -3.202 -1.064 1.00 0.00 S ATOM 0 H CYS A 46 -13.512 -4.399 -1.353 1.00 0.00 H new ATOM 0 HA CYS A 46 -14.864 -5.017 0.292 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -17.042 -5.482 -1.780 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -17.267 -5.335 -0.048 1.00 0.00 H new ATOM 0 HG CYS A 46 -18.134 -2.933 -1.253 1.00 0.00 H new ATOM 468 N GLN A 47 -15.217 -7.575 -1.740 1.00 0.00 N ATOM 469 CA GLN A 47 -15.178 -9.020 -1.856 1.00 0.00 C ATOM 470 C GLN A 47 -13.767 -9.539 -1.627 1.00 0.00 C ATOM 471 O GLN A 47 -13.562 -10.712 -1.317 1.00 0.00 O ATOM 472 CB GLN A 47 -15.676 -9.411 -3.239 1.00 0.00 C ATOM 473 CG GLN A 47 -17.038 -8.816 -3.558 1.00 0.00 C ATOM 474 CD GLN A 47 -18.146 -9.360 -2.670 1.00 0.00 C ATOM 475 OE1 GLN A 47 -19.117 -8.662 -2.374 1.00 0.00 O ATOM 476 NE2 GLN A 47 -18.017 -10.612 -2.246 1.00 0.00 N ATOM 0 H GLN A 47 -15.328 -7.094 -2.633 1.00 0.00 H new ATOM 0 HA GLN A 47 -15.820 -9.466 -1.096 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -14.955 -9.082 -3.987 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -15.733 -10.497 -3.307 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -16.990 -7.733 -3.448 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -17.282 -9.020 -4.601 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -17.198 -11.159 -2.512 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -18.737 -11.027 -1.654 1.00 0.00 H new ATOM 485 N ASN A 48 -12.797 -8.655 -1.783 1.00 0.00 N ATOM 486 CA ASN A 48 -11.409 -8.990 -1.527 1.00 0.00 C ATOM 487 C ASN A 48 -10.875 -8.046 -0.460 1.00 0.00 C ATOM 488 O ASN A 48 -11.514 -7.039 -0.145 1.00 0.00 O ATOM 489 CB ASN A 48 -10.582 -8.889 -2.815 1.00 0.00 C ATOM 490 CG ASN A 48 -9.352 -9.782 -2.800 1.00 0.00 C ATOM 491 OD1 ASN A 48 -8.766 -10.044 -1.752 1.00 0.00 O ATOM 492 ND2 ASN A 48 -8.964 -10.270 -3.966 1.00 0.00 N ATOM 0 H ASN A 48 -12.948 -7.693 -2.088 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.334 -10.019 -1.174 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -11.209 -9.157 -3.665 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -10.272 -7.854 -2.961 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -8.153 -10.886 -4.016 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.476 -10.030 -4.815 1.00 0.00 H new ATOM 499 N ASN A 49 -9.726 -8.367 0.100 1.00 0.00 N ATOM 500 CA ASN A 49 -9.163 -7.589 1.189 1.00 0.00 C ATOM 501 C ASN A 49 -8.243 -6.491 0.672 1.00 0.00 C ATOM 502 O ASN A 49 -8.249 -6.175 -0.521 1.00 0.00 O ATOM 503 CB ASN A 49 -8.416 -8.505 2.158 1.00 0.00 C ATOM 504 CG ASN A 49 -9.364 -9.340 2.999 1.00 0.00 C ATOM 505 OD1 ASN A 49 -9.790 -10.422 2.593 1.00 0.00 O ATOM 506 ND2 ASN A 49 -9.698 -8.848 4.182 1.00 0.00 N ATOM 0 H ASN A 49 -9.159 -9.167 -0.182 1.00 0.00 H new ATOM 0 HA ASN A 49 -9.984 -7.107 1.719 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -7.754 -9.164 1.596 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.786 -7.903 2.813 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.329 -9.369 4.791 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.325 -7.948 4.484 1.00 0.00 H new ATOM 513 N SER A 50 -7.472 -5.907 1.583 1.00 0.00 N ATOM 514 CA SER A 50 -6.581 -4.797 1.268 1.00 0.00 C ATOM 515 C SER A 50 -5.546 -5.174 0.205 1.00 0.00 C ATOM 516 O SER A 50 -5.336 -6.353 -0.095 1.00 0.00 O ATOM 517 CB SER A 50 -5.895 -4.334 2.552 1.00 0.00 C ATOM 518 OG SER A 50 -5.525 -5.444 3.353 1.00 0.00 O ATOM 0 H SER A 50 -7.448 -6.191 2.562 1.00 0.00 H new ATOM 0 HA SER A 50 -7.174 -3.984 0.850 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.011 -3.746 2.306 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.565 -3.682 3.113 1.00 0.00 H new ATOM 0 HG SER A 50 -5.695 -5.238 4.296 1.00 0.00 H new ATOM 524 N ILE A 51 -4.889 -4.150 -0.350 1.00 0.00 N ATOM 525 CA ILE A 51 -3.988 -4.316 -1.493 1.00 0.00 C ATOM 526 C ILE A 51 -2.753 -5.145 -1.143 1.00 0.00 C ATOM 527 O ILE A 51 -1.916 -5.411 -2.003 1.00 0.00 O ATOM 528 CB ILE A 51 -3.526 -2.956 -2.061 1.00 0.00 C ATOM 529 CG1 ILE A 51 -2.746 -2.161 -1.010 1.00 0.00 C ATOM 530 CG2 ILE A 51 -4.726 -2.158 -2.551 1.00 0.00 C ATOM 531 CD1 ILE A 51 -2.089 -0.914 -1.561 1.00 0.00 C ATOM 0 H ILE A 51 -4.967 -3.188 -0.021 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.567 -4.847 -2.248 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.861 -3.144 -2.904 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.423 -1.879 -0.203 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.980 -2.803 -0.575 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.389 -1.201 -2.949 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.239 -2.716 -3.334 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.411 -1.984 -1.721 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.554 -0.401 -0.762 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.387 -1.190 -2.348 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.852 -0.252 -1.971 1.00 0.00 H new ATOM 543 N ALA A 52 -2.634 -5.531 0.121 1.00 0.00 N ATOM 544 CA ALA A 52 -1.572 -6.429 0.549 1.00 0.00 C ATOM 545 C ALA A 52 -1.794 -7.815 -0.036 1.00 0.00 C ATOM 546 O ALA A 52 -0.842 -8.536 -0.340 1.00 0.00 O ATOM 547 CB ALA A 52 -1.518 -6.500 2.066 1.00 0.00 C ATOM 0 H ALA A 52 -3.262 -5.235 0.868 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.619 -6.042 0.187 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.719 -7.176 2.370 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.327 -5.506 2.470 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.470 -6.869 2.447 1.00 0.00 H new ATOM 553 N ASP A 53 -3.061 -8.164 -0.204 1.00 0.00 N ATOM 554 CA ASP A 53 -3.450 -9.450 -0.757 1.00 0.00 C ATOM 555 C ASP A 53 -4.665 -9.256 -1.658 1.00 0.00 C ATOM 556 O ASP A 53 -5.801 -9.500 -1.258 1.00 0.00 O ATOM 557 CB ASP A 53 -3.770 -10.436 0.374 1.00 0.00 C ATOM 558 CG ASP A 53 -3.923 -11.864 -0.109 1.00 0.00 C ATOM 559 OD1 ASP A 53 -2.906 -12.569 -0.252 1.00 0.00 O ATOM 560 OD2 ASP A 53 -5.066 -12.289 -0.376 1.00 0.00 O ATOM 0 H ASP A 53 -3.848 -7.562 0.040 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.629 -9.862 -1.344 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.976 -10.394 1.120 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.690 -10.126 0.869 1.00 0.00 H new ATOM 565 N SER A 54 -4.413 -8.791 -2.872 1.00 0.00 N ATOM 566 CA SER A 54 -5.479 -8.420 -3.790 1.00 0.00 C ATOM 567 C SER A 54 -5.235 -8.991 -5.188 1.00 0.00 C ATOM 568 O SER A 54 -4.113 -9.369 -5.536 1.00 0.00 O ATOM 569 CB SER A 54 -5.583 -6.892 -3.841 1.00 0.00 C ATOM 570 OG SER A 54 -4.303 -6.305 -3.970 1.00 0.00 O ATOM 0 H SER A 54 -3.473 -8.661 -3.246 1.00 0.00 H new ATOM 0 HA SER A 54 -6.418 -8.840 -3.430 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.211 -6.594 -4.681 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.066 -6.526 -2.935 1.00 0.00 H new ATOM 0 HG SER A 54 -3.946 -6.491 -4.863 1.00 0.00 H new ATOM 576 N ASN A 55 -6.295 -9.043 -5.986 1.00 0.00 N ATOM 577 CA ASN A 55 -6.225 -9.599 -7.334 1.00 0.00 C ATOM 578 C ASN A 55 -6.114 -8.490 -8.364 1.00 0.00 C ATOM 579 O ASN A 55 -6.205 -8.729 -9.567 1.00 0.00 O ATOM 580 CB ASN A 55 -7.468 -10.437 -7.638 1.00 0.00 C ATOM 581 CG ASN A 55 -7.571 -11.692 -6.792 1.00 0.00 C ATOM 582 OD1 ASN A 55 -8.671 -12.117 -6.434 1.00 0.00 O ATOM 583 ND2 ASN A 55 -6.437 -12.303 -6.479 1.00 0.00 N ATOM 0 H ASN A 55 -7.220 -8.704 -5.721 1.00 0.00 H new ATOM 0 HA ASN A 55 -5.340 -10.233 -7.386 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -8.357 -9.826 -7.478 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -7.459 -10.718 -8.691 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -6.455 -13.157 -5.922 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -5.547 -11.919 -6.795 1.00 0.00 H new ATOM 590 N SER A 56 -5.940 -7.272 -7.885 1.00 0.00 N ATOM 591 CA SER A 56 -5.853 -6.123 -8.763 1.00 0.00 C ATOM 592 C SER A 56 -4.405 -5.824 -9.132 1.00 0.00 C ATOM 593 O SER A 56 -3.527 -5.745 -8.272 1.00 0.00 O ATOM 594 CB SER A 56 -6.484 -4.898 -8.106 1.00 0.00 C ATOM 595 OG SER A 56 -6.360 -3.762 -8.942 1.00 0.00 O ATOM 0 H SER A 56 -5.856 -7.054 -6.892 1.00 0.00 H new ATOM 0 HA SER A 56 -6.401 -6.359 -9.675 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.537 -5.091 -7.900 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.002 -4.705 -7.147 1.00 0.00 H new ATOM 0 HG SER A 56 -7.021 -3.088 -8.679 1.00 0.00 H new ATOM 601 N MET A 57 -4.178 -5.665 -10.428 1.00 0.00 N ATOM 602 CA MET A 57 -2.874 -5.287 -10.955 1.00 0.00 C ATOM 603 C MET A 57 -2.526 -3.882 -10.500 1.00 0.00 C ATOM 604 O MET A 57 -1.364 -3.545 -10.277 1.00 0.00 O ATOM 605 CB MET A 57 -2.888 -5.320 -12.486 1.00 0.00 C ATOM 606 CG MET A 57 -3.885 -6.303 -13.071 1.00 0.00 C ATOM 607 SD MET A 57 -5.224 -5.490 -13.970 1.00 0.00 S ATOM 608 CE MET A 57 -6.178 -4.769 -12.633 1.00 0.00 C ATOM 0 H MET A 57 -4.893 -5.794 -11.144 1.00 0.00 H new ATOM 0 HA MET A 57 -2.133 -5.995 -10.584 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.116 -4.321 -12.859 1.00 0.00 H new ATOM 0 HB3 MET A 57 -1.890 -5.574 -12.843 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.364 -6.985 -13.743 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.307 -6.907 -12.268 1.00 0.00 H new ATOM 0 HE1 MET A 57 -6.829 -3.990 -13.030 1.00 0.00 H new ATOM 0 HE2 MET A 57 -6.783 -5.542 -12.160 1.00 0.00 H new ATOM 0 HE3 MET A 57 -5.502 -4.336 -11.896 1.00 0.00 H new ATOM 618 N ILE A 58 -3.563 -3.071 -10.359 1.00 0.00 N ATOM 619 CA ILE A 58 -3.411 -1.672 -10.006 1.00 0.00 C ATOM 620 C ILE A 58 -3.010 -1.550 -8.536 1.00 0.00 C ATOM 621 O ILE A 58 -2.345 -0.592 -8.143 1.00 0.00 O ATOM 622 CB ILE A 58 -4.701 -0.863 -10.342 1.00 0.00 C ATOM 623 CG1 ILE A 58 -5.597 -0.648 -9.122 1.00 0.00 C ATOM 624 CG2 ILE A 58 -5.482 -1.565 -11.444 1.00 0.00 C ATOM 625 CD1 ILE A 58 -5.250 0.605 -8.355 1.00 0.00 C ATOM 0 H ILE A 58 -4.531 -3.365 -10.486 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.612 -1.236 -10.606 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.382 0.122 -10.682 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.637 -0.594 -9.445 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.513 -1.509 -8.459 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.382 -0.994 -11.673 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.863 -1.640 -12.338 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.762 -2.565 -11.111 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.919 0.705 -7.500 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.220 0.543 -8.004 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.361 1.472 -9.006 1.00 0.00 H new ATOM 637 N ALA A 59 -3.404 -2.542 -7.731 1.00 0.00 N ATOM 638 CA ALA A 59 -2.996 -2.599 -6.331 1.00 0.00 C ATOM 639 C ALA A 59 -1.474 -2.578 -6.226 1.00 0.00 C ATOM 640 O ALA A 59 -0.908 -1.984 -5.310 1.00 0.00 O ATOM 641 CB ALA A 59 -3.543 -3.853 -5.661 1.00 0.00 C ATOM 0 H ALA A 59 -4.003 -3.312 -8.027 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.403 -1.726 -5.820 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.227 -3.876 -4.618 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.632 -3.846 -5.710 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.162 -4.736 -6.175 1.00 0.00 H new ATOM 647 N THR A 60 -0.820 -3.220 -7.184 1.00 0.00 N ATOM 648 CA THR A 60 0.631 -3.233 -7.253 1.00 0.00 C ATOM 649 C THR A 60 1.182 -1.831 -7.511 1.00 0.00 C ATOM 650 O THR A 60 2.175 -1.430 -6.903 1.00 0.00 O ATOM 651 CB THR A 60 1.116 -4.193 -8.350 1.00 0.00 C ATOM 652 OG1 THR A 60 0.665 -5.521 -8.060 1.00 0.00 O ATOM 653 CG2 THR A 60 2.631 -4.168 -8.456 1.00 0.00 C ATOM 0 H THR A 60 -1.279 -3.743 -7.930 1.00 0.00 H new ATOM 0 HA THR A 60 1.003 -3.581 -6.289 1.00 0.00 H new ATOM 0 HB THR A 60 0.702 -3.870 -9.305 1.00 0.00 H new ATOM 0 HG1 THR A 60 1.438 -6.115 -7.963 1.00 0.00 H new ATOM 0 HG21 THR A 60 2.952 -4.855 -9.239 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.962 -3.159 -8.701 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.067 -4.472 -7.505 1.00 0.00 H new ATOM 661 N ASP A 61 0.527 -1.095 -8.404 1.00 0.00 N ATOM 662 CA ASP A 61 0.896 0.291 -8.702 1.00 0.00 C ATOM 663 C ASP A 61 0.906 1.110 -7.418 1.00 0.00 C ATOM 664 O ASP A 61 1.846 1.852 -7.141 1.00 0.00 O ATOM 665 CB ASP A 61 -0.100 0.904 -9.694 1.00 0.00 C ATOM 666 CG ASP A 61 0.486 2.057 -10.488 1.00 0.00 C ATOM 667 OD1 ASP A 61 1.161 1.789 -11.507 1.00 0.00 O ATOM 668 OD2 ASP A 61 0.251 3.226 -10.121 1.00 0.00 O ATOM 0 H ASP A 61 -0.270 -1.437 -8.940 1.00 0.00 H new ATOM 0 HA ASP A 61 1.891 0.301 -9.146 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.440 0.131 -10.383 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.977 1.254 -9.150 1.00 0.00 H new ATOM 673 N LEU A 62 -0.142 0.931 -6.624 1.00 0.00 N ATOM 674 CA LEU A 62 -0.275 1.610 -5.341 1.00 0.00 C ATOM 675 C LEU A 62 0.831 1.175 -4.388 1.00 0.00 C ATOM 676 O LEU A 62 1.399 1.986 -3.658 1.00 0.00 O ATOM 677 CB LEU A 62 -1.630 1.279 -4.711 1.00 0.00 C ATOM 678 CG LEU A 62 -2.841 1.423 -5.626 1.00 0.00 C ATOM 679 CD1 LEU A 62 -4.109 1.094 -4.859 1.00 0.00 C ATOM 680 CD2 LEU A 62 -2.912 2.823 -6.209 1.00 0.00 C ATOM 0 H LEU A 62 -0.921 0.313 -6.850 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.200 2.683 -5.515 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.597 0.254 -4.342 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.774 1.925 -3.845 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.740 0.722 -6.454 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.971 1.199 -5.518 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.056 0.069 -4.491 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.212 1.777 -4.016 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.784 2.903 -6.859 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.994 3.550 -5.401 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.010 3.023 -6.787 1.00 0.00 H new ATOM 692 N ARG A 63 1.128 -0.116 -4.403 1.00 0.00 N ATOM 693 CA ARG A 63 2.140 -0.681 -3.523 1.00 0.00 C ATOM 694 C ARG A 63 3.526 -0.164 -3.872 1.00 0.00 C ATOM 695 O ARG A 63 4.402 -0.082 -3.009 1.00 0.00 O ATOM 696 CB ARG A 63 2.099 -2.205 -3.569 1.00 0.00 C ATOM 697 CG ARG A 63 0.846 -2.772 -2.931 1.00 0.00 C ATOM 698 CD ARG A 63 0.886 -4.282 -2.841 1.00 0.00 C ATOM 699 NE ARG A 63 0.709 -4.928 -4.146 1.00 0.00 N ATOM 700 CZ ARG A 63 0.462 -6.230 -4.306 1.00 0.00 C ATOM 701 NH1 ARG A 63 0.290 -7.011 -3.243 1.00 0.00 N ATOM 702 NH2 ARG A 63 0.372 -6.750 -5.526 1.00 0.00 N ATOM 0 H ARG A 63 0.680 -0.795 -5.018 1.00 0.00 H new ATOM 0 HA ARG A 63 1.917 -0.362 -2.505 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.156 -2.536 -4.606 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.975 -2.604 -3.058 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.727 -2.353 -1.932 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.025 -2.467 -3.511 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.839 -4.592 -2.412 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.105 -4.623 -2.162 1.00 0.00 H new ATOM 0 HE ARG A 63 0.779 -4.347 -4.982 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.347 -6.615 -2.305 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.101 -8.006 -3.366 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.492 -6.154 -6.345 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.183 -7.745 -5.643 1.00 0.00 H new ATOM 716 N GLN A 64 3.732 0.182 -5.136 1.00 0.00 N ATOM 717 CA GLN A 64 4.976 0.810 -5.545 1.00 0.00 C ATOM 718 C GLN A 64 5.092 2.182 -4.895 1.00 0.00 C ATOM 719 O GLN A 64 6.163 2.565 -4.430 1.00 0.00 O ATOM 720 CB GLN A 64 5.065 0.924 -7.066 1.00 0.00 C ATOM 721 CG GLN A 64 5.007 -0.419 -7.777 1.00 0.00 C ATOM 722 CD GLN A 64 5.220 -0.301 -9.273 1.00 0.00 C ATOM 723 OE1 GLN A 64 5.937 0.582 -9.742 1.00 0.00 O ATOM 724 NE2 GLN A 64 4.596 -1.185 -10.031 1.00 0.00 N ATOM 0 H GLN A 64 3.058 0.039 -5.888 1.00 0.00 H new ATOM 0 HA GLN A 64 5.806 0.185 -5.215 1.00 0.00 H new ATOM 0 HB2 GLN A 64 4.249 1.552 -7.424 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.995 1.427 -7.331 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.765 -1.080 -7.358 1.00 0.00 H new ATOM 0 HG3 GLN A 64 4.039 -0.884 -7.588 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.010 -1.902 -9.602 1.00 0.00 H new ATOM 0 HE22 GLN A 64 4.700 -1.151 -11.045 1.00 0.00 H new ATOM 733 N LYS A 65 3.974 2.903 -4.839 1.00 0.00 N ATOM 734 CA LYS A 65 3.927 4.187 -4.150 1.00 0.00 C ATOM 735 C LYS A 65 4.265 4.002 -2.676 1.00 0.00 C ATOM 736 O LYS A 65 5.068 4.747 -2.114 1.00 0.00 O ATOM 737 CB LYS A 65 2.547 4.826 -4.287 1.00 0.00 C ATOM 738 CG LYS A 65 2.412 6.161 -3.565 1.00 0.00 C ATOM 739 CD LYS A 65 3.012 7.308 -4.364 1.00 0.00 C ATOM 740 CE LYS A 65 4.483 7.461 -4.061 1.00 0.00 C ATOM 741 NZ LYS A 65 5.150 8.461 -4.932 1.00 0.00 N ATOM 0 H LYS A 65 3.091 2.619 -5.262 1.00 0.00 H new ATOM 0 HA LYS A 65 4.663 4.848 -4.609 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.328 4.972 -5.345 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.798 4.136 -3.899 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.358 6.365 -3.375 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.905 6.099 -2.595 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.873 7.127 -5.430 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.489 8.235 -4.127 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.606 7.755 -3.019 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.976 6.496 -4.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.089 8.687 -4.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.255 8.071 -5.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.574 9.326 -4.971 1.00 0.00 H new ATOM 755 N VAL A 66 3.641 3.000 -2.063 1.00 0.00 N ATOM 756 CA VAL A 66 3.921 2.632 -0.680 1.00 0.00 C ATOM 757 C VAL A 66 5.420 2.421 -0.463 1.00 0.00 C ATOM 758 O VAL A 66 5.976 2.860 0.545 1.00 0.00 O ATOM 759 CB VAL A 66 3.134 1.362 -0.276 1.00 0.00 C ATOM 760 CG1 VAL A 66 3.657 0.800 1.028 1.00 0.00 C ATOM 761 CG2 VAL A 66 1.652 1.678 -0.147 1.00 0.00 C ATOM 0 H VAL A 66 2.929 2.422 -2.510 1.00 0.00 H new ATOM 0 HA VAL A 66 3.595 3.455 -0.044 1.00 0.00 H new ATOM 0 HB VAL A 66 3.271 0.614 -1.057 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.090 -0.092 1.293 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.710 0.541 0.916 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.549 1.546 1.815 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.111 0.776 0.138 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.508 2.443 0.616 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.273 2.042 -1.102 1.00 0.00 H new ATOM 771 N TYR A 67 6.069 1.780 -1.428 1.00 0.00 N ATOM 772 CA TYR A 67 7.504 1.538 -1.351 1.00 0.00 C ATOM 773 C TYR A 67 8.289 2.846 -1.486 1.00 0.00 C ATOM 774 O TYR A 67 9.191 3.115 -0.691 1.00 0.00 O ATOM 775 CB TYR A 67 7.927 0.536 -2.429 1.00 0.00 C ATOM 776 CG TYR A 67 9.410 0.233 -2.449 1.00 0.00 C ATOM 777 CD1 TYR A 67 9.984 -0.589 -1.486 1.00 0.00 C ATOM 778 CD2 TYR A 67 10.234 0.773 -3.427 1.00 0.00 C ATOM 779 CE1 TYR A 67 11.337 -0.865 -1.498 1.00 0.00 C ATOM 780 CE2 TYR A 67 11.588 0.501 -3.446 1.00 0.00 C ATOM 781 CZ TYR A 67 12.133 -0.330 -2.492 1.00 0.00 C ATOM 782 OH TYR A 67 13.485 -0.582 -2.494 1.00 0.00 O ATOM 0 H TYR A 67 5.624 1.419 -2.272 1.00 0.00 H new ATOM 0 HA TYR A 67 7.731 1.114 -0.373 1.00 0.00 H new ATOM 0 HB2 TYR A 67 7.380 -0.395 -2.279 1.00 0.00 H new ATOM 0 HB3 TYR A 67 7.634 0.924 -3.405 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.361 -1.019 -0.715 1.00 0.00 H new ATOM 0 HD2 TYR A 67 9.810 1.416 -4.184 1.00 0.00 H new ATOM 0 HE1 TYR A 67 11.770 -1.495 -0.735 1.00 0.00 H new ATOM 0 HE2 TYR A 67 12.218 0.939 -4.207 1.00 0.00 H new ATOM 0 HH TYR A 67 13.669 -1.386 -1.965 1.00 0.00 H new ATOM 792 N GLU A 68 7.946 3.653 -2.492 1.00 0.00 N ATOM 793 CA GLU A 68 8.595 4.946 -2.699 1.00 0.00 C ATOM 794 C GLU A 68 8.487 5.818 -1.456 1.00 0.00 C ATOM 795 O GLU A 68 9.475 6.379 -0.987 1.00 0.00 O ATOM 796 CB GLU A 68 7.951 5.699 -3.858 1.00 0.00 C ATOM 797 CG GLU A 68 7.930 4.945 -5.168 1.00 0.00 C ATOM 798 CD GLU A 68 7.435 5.818 -6.299 1.00 0.00 C ATOM 799 OE1 GLU A 68 6.209 5.867 -6.521 1.00 0.00 O ATOM 800 OE2 GLU A 68 8.271 6.427 -6.996 1.00 0.00 O ATOM 0 H GLU A 68 7.222 3.432 -3.176 1.00 0.00 H new ATOM 0 HA GLU A 68 9.643 4.743 -2.920 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.927 5.953 -3.584 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.484 6.639 -4.004 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.932 4.583 -5.397 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.288 4.069 -5.075 1.00 0.00 H new ATOM 807 N LEU A 69 7.274 5.915 -0.932 1.00 0.00 N ATOM 808 CA LEU A 69 6.965 6.782 0.198 1.00 0.00 C ATOM 809 C LEU A 69 7.825 6.466 1.417 1.00 0.00 C ATOM 810 O LEU A 69 8.102 7.349 2.234 1.00 0.00 O ATOM 811 CB LEU A 69 5.484 6.669 0.540 1.00 0.00 C ATOM 812 CG LEU A 69 4.546 7.295 -0.490 1.00 0.00 C ATOM 813 CD1 LEU A 69 3.105 7.147 -0.050 1.00 0.00 C ATOM 814 CD2 LEU A 69 4.885 8.761 -0.681 1.00 0.00 C ATOM 0 H LEU A 69 6.471 5.392 -1.280 1.00 0.00 H new ATOM 0 HA LEU A 69 7.194 7.807 -0.093 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.229 5.615 0.651 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.310 7.143 1.506 1.00 0.00 H new ATOM 0 HG LEU A 69 4.675 6.776 -1.440 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.449 7.598 -0.795 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.863 6.089 0.054 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.964 7.647 0.908 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.210 9.198 -1.417 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.776 9.286 0.268 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.913 8.854 -1.031 1.00 0.00 H new ATOM 826 N MET A 70 8.242 5.213 1.540 1.00 0.00 N ATOM 827 CA MET A 70 9.153 4.818 2.607 1.00 0.00 C ATOM 828 C MET A 70 10.450 5.620 2.510 1.00 0.00 C ATOM 829 O MET A 70 10.976 6.097 3.515 1.00 0.00 O ATOM 830 CB MET A 70 9.481 3.323 2.528 1.00 0.00 C ATOM 831 CG MET A 70 8.276 2.407 2.643 1.00 0.00 C ATOM 832 SD MET A 70 8.715 0.664 2.513 1.00 0.00 S ATOM 833 CE MET A 70 7.089 -0.073 2.615 1.00 0.00 C ATOM 0 H MET A 70 7.965 4.455 0.917 1.00 0.00 H new ATOM 0 HA MET A 70 8.661 5.020 3.559 1.00 0.00 H new ATOM 0 HB2 MET A 70 9.984 3.124 1.582 1.00 0.00 H new ATOM 0 HB3 MET A 70 10.186 3.076 3.322 1.00 0.00 H new ATOM 0 HG2 MET A 70 7.781 2.583 3.598 1.00 0.00 H new ATOM 0 HG3 MET A 70 7.559 2.656 1.861 1.00 0.00 H new ATOM 0 HE1 MET A 70 6.997 -0.858 1.864 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.945 -0.501 3.607 1.00 0.00 H new ATOM 0 HE3 MET A 70 6.332 0.690 2.436 1.00 0.00 H new ATOM 843 N GLN A 71 10.945 5.778 1.284 1.00 0.00 N ATOM 844 CA GLN A 71 12.177 6.518 1.033 1.00 0.00 C ATOM 845 C GLN A 71 11.898 8.008 1.084 1.00 0.00 C ATOM 846 O GLN A 71 12.699 8.790 1.601 1.00 0.00 O ATOM 847 CB GLN A 71 12.745 6.178 -0.345 1.00 0.00 C ATOM 848 CG GLN A 71 12.349 4.805 -0.846 1.00 0.00 C ATOM 849 CD GLN A 71 12.853 4.536 -2.249 1.00 0.00 C ATOM 850 OE1 GLN A 71 13.161 3.398 -2.609 1.00 0.00 O ATOM 851 NE2 GLN A 71 12.943 5.584 -3.051 1.00 0.00 N ATOM 0 H GLN A 71 10.507 5.400 0.444 1.00 0.00 H new ATOM 0 HA GLN A 71 12.900 6.240 1.799 1.00 0.00 H new ATOM 0 HB2 GLN A 71 12.409 6.927 -1.062 1.00 0.00 H new ATOM 0 HB3 GLN A 71 13.832 6.241 -0.305 1.00 0.00 H new ATOM 0 HG2 GLN A 71 12.743 4.047 -0.169 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.263 4.714 -0.829 1.00 0.00 H new ATOM 0 HE21 GLN A 71 12.678 6.509 -2.713 1.00 0.00 H new ATOM 0 HE22 GLN A 71 13.278 5.467 -4.007 1.00 0.00 H new ATOM 860 N GLU A 72 10.746 8.384 0.532 1.00 0.00 N ATOM 861 CA GLU A 72 10.315 9.783 0.502 1.00 0.00 C ATOM 862 C GLU A 72 10.210 10.355 1.911 1.00 0.00 C ATOM 863 O GLU A 72 10.220 11.573 2.102 1.00 0.00 O ATOM 864 CB GLU A 72 8.968 9.929 -0.210 1.00 0.00 C ATOM 865 CG GLU A 72 8.960 9.345 -1.611 1.00 0.00 C ATOM 866 CD GLU A 72 7.709 9.679 -2.404 1.00 0.00 C ATOM 867 OE1 GLU A 72 7.111 10.754 -2.161 1.00 0.00 O ATOM 868 OE2 GLU A 72 7.300 8.860 -3.251 1.00 0.00 O ATOM 0 H GLU A 72 10.090 7.736 0.097 1.00 0.00 H new ATOM 0 HA GLU A 72 11.070 10.342 -0.051 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.196 9.439 0.384 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.706 10.986 -0.263 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.832 9.712 -2.153 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.059 8.262 -1.544 1.00 0.00 H new ATOM 875 N GLY A 73 10.064 9.470 2.889 1.00 0.00 N ATOM 876 CA GLY A 73 10.095 9.885 4.272 1.00 0.00 C ATOM 877 C GLY A 73 8.715 10.195 4.783 1.00 0.00 C ATOM 878 O GLY A 73 8.492 11.211 5.437 1.00 0.00 O ATOM 0 H GLY A 73 9.924 8.470 2.745 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.541 9.098 4.880 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.729 10.766 4.375 1.00 0.00 H new ATOM 882 N LYS A 74 7.773 9.340 4.438 1.00 0.00 N ATOM 883 CA LYS A 74 6.396 9.525 4.845 1.00 0.00 C ATOM 884 C LYS A 74 6.098 8.711 6.096 1.00 0.00 C ATOM 885 O LYS A 74 6.758 7.711 6.378 1.00 0.00 O ATOM 886 CB LYS A 74 5.468 9.090 3.721 1.00 0.00 C ATOM 887 CG LYS A 74 5.852 9.650 2.359 1.00 0.00 C ATOM 888 CD LYS A 74 5.543 11.134 2.239 1.00 0.00 C ATOM 889 CE LYS A 74 6.729 11.910 1.691 1.00 0.00 C ATOM 890 NZ LYS A 74 7.580 12.473 2.775 1.00 0.00 N ATOM 0 H LYS A 74 7.938 8.506 3.874 1.00 0.00 H new ATOM 0 HA LYS A 74 6.234 10.580 5.065 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.462 8.001 3.668 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.452 9.403 3.959 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.916 9.487 2.188 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.318 9.105 1.581 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.682 11.275 1.586 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.269 11.529 3.217 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.331 11.254 1.062 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.370 12.719 1.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.530 13.512 2.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.240 12.131 3.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.565 12.170 2.636 1.00 0.00 H new ATOM 904 N SER A 75 5.093 9.145 6.824 1.00 0.00 N ATOM 905 CA SER A 75 4.627 8.450 8.015 1.00 0.00 C ATOM 906 C SER A 75 3.602 7.403 7.603 1.00 0.00 C ATOM 907 O SER A 75 3.184 7.389 6.453 1.00 0.00 O ATOM 908 CB SER A 75 4.002 9.451 8.989 1.00 0.00 C ATOM 909 OG SER A 75 4.858 10.564 9.190 1.00 0.00 O ATOM 0 H SER A 75 4.570 9.994 6.610 1.00 0.00 H new ATOM 0 HA SER A 75 5.465 7.962 8.513 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.042 9.791 8.601 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.805 8.962 9.943 1.00 0.00 H new ATOM 0 HG SER A 75 4.438 11.191 9.815 1.00 0.00 H new ATOM 915 N LYS A 76 3.183 6.543 8.516 1.00 0.00 N ATOM 916 CA LYS A 76 2.239 5.484 8.164 1.00 0.00 C ATOM 917 C LYS A 76 0.931 6.075 7.643 1.00 0.00 C ATOM 918 O LYS A 76 0.496 5.760 6.535 1.00 0.00 O ATOM 919 CB LYS A 76 1.974 4.568 9.357 1.00 0.00 C ATOM 920 CG LYS A 76 2.982 3.433 9.518 1.00 0.00 C ATOM 921 CD LYS A 76 4.390 3.917 9.847 1.00 0.00 C ATOM 922 CE LYS A 76 5.219 4.158 8.596 1.00 0.00 C ATOM 923 NZ LYS A 76 6.614 4.560 8.926 1.00 0.00 N ATOM 0 H LYS A 76 3.473 6.552 9.494 1.00 0.00 H new ATOM 0 HA LYS A 76 2.687 4.887 7.370 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.973 5.168 10.267 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.977 4.140 9.256 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.642 2.764 10.308 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.012 2.850 8.598 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.330 4.839 10.425 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.889 3.179 10.475 1.00 0.00 H new ATOM 0 HE2 LYS A 76 5.235 3.252 7.991 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.750 4.935 7.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.148 4.715 8.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.600 5.439 9.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 7.070 3.807 9.480 1.00 0.00 H new ATOM 937 N LYS A 77 0.330 6.953 8.433 1.00 0.00 N ATOM 938 CA LYS A 77 -0.897 7.643 8.034 1.00 0.00 C ATOM 939 C LYS A 77 -0.627 8.564 6.853 1.00 0.00 C ATOM 940 O LYS A 77 -1.513 8.854 6.055 1.00 0.00 O ATOM 941 CB LYS A 77 -1.441 8.461 9.205 1.00 0.00 C ATOM 942 CG LYS A 77 -1.436 7.700 10.516 1.00 0.00 C ATOM 943 CD LYS A 77 -2.278 6.441 10.425 1.00 0.00 C ATOM 944 CE LYS A 77 -2.254 5.643 11.721 1.00 0.00 C ATOM 945 NZ LYS A 77 -3.212 4.505 11.690 1.00 0.00 N ATOM 0 H LYS A 77 0.671 7.208 9.360 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.634 6.896 7.740 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.845 9.367 9.315 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.460 8.776 8.978 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.412 7.437 10.783 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.818 8.339 11.312 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.306 6.710 10.184 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.911 5.818 9.609 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.247 5.265 11.896 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.497 6.300 12.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -3.886 4.597 12.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.730 4.512 10.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.691 3.610 11.783 1.00 0.00 H new ATOM 959 N GLU A 78 0.610 9.020 6.762 1.00 0.00 N ATOM 960 CA GLU A 78 1.035 9.892 5.675 1.00 0.00 C ATOM 961 C GLU A 78 1.107 9.122 4.352 1.00 0.00 C ATOM 962 O GLU A 78 0.693 9.631 3.317 1.00 0.00 O ATOM 963 CB GLU A 78 2.389 10.515 6.010 1.00 0.00 C ATOM 964 CG GLU A 78 2.945 11.430 4.932 1.00 0.00 C ATOM 965 CD GLU A 78 2.088 12.660 4.706 1.00 0.00 C ATOM 966 OE1 GLU A 78 1.476 13.154 5.681 1.00 0.00 O ATOM 967 OE2 GLU A 78 2.043 13.149 3.562 1.00 0.00 O ATOM 0 H GLU A 78 1.346 8.800 7.433 1.00 0.00 H new ATOM 0 HA GLU A 78 0.299 10.687 5.558 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.295 11.081 6.937 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.106 9.716 6.196 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.952 11.741 5.210 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.029 10.874 3.998 1.00 0.00 H new ATOM 974 N ILE A 79 1.631 7.894 4.391 1.00 0.00 N ATOM 975 CA ILE A 79 1.691 7.052 3.199 1.00 0.00 C ATOM 976 C ILE A 79 0.290 6.821 2.635 1.00 0.00 C ATOM 977 O ILE A 79 0.048 7.049 1.449 1.00 0.00 O ATOM 978 CB ILE A 79 2.385 5.684 3.465 1.00 0.00 C ATOM 979 CG1 ILE A 79 3.897 5.784 3.248 1.00 0.00 C ATOM 980 CG2 ILE A 79 1.818 4.606 2.553 1.00 0.00 C ATOM 981 CD1 ILE A 79 4.725 5.716 4.512 1.00 0.00 C ATOM 0 H ILE A 79 2.017 7.465 5.232 1.00 0.00 H new ATOM 0 HA ILE A 79 2.297 7.588 2.468 1.00 0.00 H new ATOM 0 HB ILE A 79 2.192 5.416 4.504 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.208 4.979 2.583 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.115 6.722 2.737 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.317 3.658 2.756 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.749 4.500 2.736 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.981 4.887 1.513 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.782 5.795 4.259 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.448 6.537 5.173 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.542 4.767 5.016 1.00 0.00 H new ATOM 993 N VAL A 80 -0.631 6.385 3.485 1.00 0.00 N ATOM 994 CA VAL A 80 -1.994 6.130 3.044 1.00 0.00 C ATOM 995 C VAL A 80 -2.686 7.431 2.622 1.00 0.00 C ATOM 996 O VAL A 80 -3.473 7.447 1.673 1.00 0.00 O ATOM 997 CB VAL A 80 -2.823 5.388 4.120 1.00 0.00 C ATOM 998 CG1 VAL A 80 -2.646 6.014 5.488 1.00 0.00 C ATOM 999 CG2 VAL A 80 -4.288 5.366 3.743 1.00 0.00 C ATOM 0 H VAL A 80 -0.461 6.202 4.474 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.933 5.475 2.175 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.454 4.363 4.168 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.243 5.467 6.218 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.595 5.973 5.774 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.973 7.053 5.458 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.854 4.840 4.512 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.657 6.388 3.656 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.410 4.854 2.789 1.00 0.00 H new ATOM 1009 N ASP A 81 -2.371 8.524 3.308 1.00 0.00 N ATOM 1010 CA ASP A 81 -2.879 9.837 2.919 1.00 0.00 C ATOM 1011 C ASP A 81 -2.378 10.200 1.532 1.00 0.00 C ATOM 1012 O ASP A 81 -3.124 10.712 0.702 1.00 0.00 O ATOM 1013 CB ASP A 81 -2.443 10.907 3.922 1.00 0.00 C ATOM 1014 CG ASP A 81 -2.884 12.302 3.520 1.00 0.00 C ATOM 1015 OD1 ASP A 81 -4.035 12.681 3.817 1.00 0.00 O ATOM 1016 OD2 ASP A 81 -2.084 13.020 2.886 1.00 0.00 O ATOM 0 H ASP A 81 -1.770 8.529 4.132 1.00 0.00 H new ATOM 0 HA ASP A 81 -3.968 9.792 2.909 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.855 10.669 4.903 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.357 10.887 4.019 1.00 0.00 H new ATOM 1021 N TYR A 82 -1.112 9.899 1.286 1.00 0.00 N ATOM 1022 CA TYR A 82 -0.488 10.161 -0.003 1.00 0.00 C ATOM 1023 C TYR A 82 -1.187 9.348 -1.081 1.00 0.00 C ATOM 1024 O TYR A 82 -1.401 9.818 -2.202 1.00 0.00 O ATOM 1025 CB TYR A 82 0.993 9.784 0.037 1.00 0.00 C ATOM 1026 CG TYR A 82 1.865 10.575 -0.918 1.00 0.00 C ATOM 1027 CD1 TYR A 82 1.945 10.235 -2.262 1.00 0.00 C ATOM 1028 CD2 TYR A 82 2.614 11.658 -0.472 1.00 0.00 C ATOM 1029 CE1 TYR A 82 2.748 10.950 -3.133 1.00 0.00 C ATOM 1030 CE2 TYR A 82 3.420 12.377 -1.337 1.00 0.00 C ATOM 1031 CZ TYR A 82 3.482 12.019 -2.665 1.00 0.00 C ATOM 1032 OH TYR A 82 4.283 12.733 -3.533 1.00 0.00 O ATOM 0 H TYR A 82 -0.490 9.468 1.970 1.00 0.00 H new ATOM 0 HA TYR A 82 -0.577 11.224 -0.227 1.00 0.00 H new ATOM 0 HB2 TYR A 82 1.365 9.926 1.052 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.092 8.723 -0.193 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.371 9.399 -2.634 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.566 11.943 0.569 1.00 0.00 H new ATOM 0 HE1 TYR A 82 2.800 10.672 -4.175 1.00 0.00 H new ATOM 0 HE2 TYR A 82 3.997 13.214 -0.973 1.00 0.00 H new ATOM 0 HH TYR A 82 4.732 13.455 -3.045 1.00 0.00 H new ATOM 1042 N MET A 83 -1.540 8.119 -0.719 1.00 0.00 N ATOM 1043 CA MET A 83 -2.257 7.224 -1.610 1.00 0.00 C ATOM 1044 C MET A 83 -3.574 7.848 -2.051 1.00 0.00 C ATOM 1045 O MET A 83 -3.824 7.983 -3.239 1.00 0.00 O ATOM 1046 CB MET A 83 -2.524 5.879 -0.925 1.00 0.00 C ATOM 1047 CG MET A 83 -1.273 5.054 -0.655 1.00 0.00 C ATOM 1048 SD MET A 83 -1.078 3.677 -1.803 1.00 0.00 S ATOM 1049 CE MET A 83 -0.970 4.538 -3.366 1.00 0.00 C ATOM 0 H MET A 83 -1.337 7.720 0.197 1.00 0.00 H new ATOM 0 HA MET A 83 -1.635 7.054 -2.489 1.00 0.00 H new ATOM 0 HB2 MET A 83 -3.036 6.061 0.020 1.00 0.00 H new ATOM 0 HB3 MET A 83 -3.202 5.296 -1.548 1.00 0.00 H new ATOM 0 HG2 MET A 83 -0.397 5.700 -0.719 1.00 0.00 H new ATOM 0 HG3 MET A 83 -1.311 4.668 0.364 1.00 0.00 H new ATOM 0 HE1 MET A 83 -0.395 3.939 -4.072 1.00 0.00 H new ATOM 0 HE2 MET A 83 -1.973 4.702 -3.761 1.00 0.00 H new ATOM 0 HE3 MET A 83 -0.477 5.499 -3.219 1.00 0.00 H new ATOM 1059 N VAL A 84 -4.409 8.244 -1.098 1.00 0.00 N ATOM 1060 CA VAL A 84 -5.720 8.802 -1.435 1.00 0.00 C ATOM 1061 C VAL A 84 -5.582 10.166 -2.102 1.00 0.00 C ATOM 1062 O VAL A 84 -6.427 10.565 -2.898 1.00 0.00 O ATOM 1063 CB VAL A 84 -6.656 8.922 -0.208 1.00 0.00 C ATOM 1064 CG1 VAL A 84 -6.665 7.636 0.599 1.00 0.00 C ATOM 1065 CG2 VAL A 84 -6.301 10.117 0.669 1.00 0.00 C ATOM 0 H VAL A 84 -4.210 8.192 -0.099 1.00 0.00 H new ATOM 0 HA VAL A 84 -6.174 8.098 -2.132 1.00 0.00 H new ATOM 0 HB VAL A 84 -7.663 9.092 -0.589 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -7.331 7.748 1.455 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -7.015 6.816 -0.028 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.656 7.420 0.950 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -6.984 10.161 1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -5.278 10.011 1.031 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -6.386 11.034 0.086 1.00 0.00 H new ATOM 1075 N ALA A 85 -4.523 10.880 -1.755 1.00 0.00 N ATOM 1076 CA ALA A 85 -4.297 12.212 -2.282 1.00 0.00 C ATOM 1077 C ALA A 85 -4.005 12.174 -3.782 1.00 0.00 C ATOM 1078 O ALA A 85 -4.536 12.975 -4.550 1.00 0.00 O ATOM 1079 CB ALA A 85 -3.160 12.881 -1.529 1.00 0.00 C ATOM 0 H ALA A 85 -3.805 10.556 -1.108 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.207 12.796 -2.140 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.996 13.881 -1.931 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.416 12.952 -0.472 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.251 12.291 -1.643 1.00 0.00 H new ATOM 1085 N ARG A 86 -3.159 11.239 -4.195 1.00 0.00 N ATOM 1086 CA ARG A 86 -2.767 11.125 -5.600 1.00 0.00 C ATOM 1087 C ARG A 86 -3.597 10.072 -6.331 1.00 0.00 C ATOM 1088 O ARG A 86 -4.053 10.285 -7.454 1.00 0.00 O ATOM 1089 CB ARG A 86 -1.278 10.774 -5.714 1.00 0.00 C ATOM 1090 CG ARG A 86 -0.347 11.975 -5.677 1.00 0.00 C ATOM 1091 CD ARG A 86 -0.264 12.570 -4.285 1.00 0.00 C ATOM 1092 NE ARG A 86 0.621 13.732 -4.232 1.00 0.00 N ATOM 1093 CZ ARG A 86 0.807 14.477 -3.143 1.00 0.00 C ATOM 1094 NH1 ARG A 86 0.130 14.213 -2.033 1.00 0.00 N ATOM 1095 NH2 ARG A 86 1.664 15.490 -3.168 1.00 0.00 N ATOM 0 H ARG A 86 -2.730 10.548 -3.580 1.00 0.00 H new ATOM 0 HA ARG A 86 -2.950 12.092 -6.069 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.013 10.098 -4.901 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.115 10.231 -6.645 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.648 11.676 -6.006 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.700 12.732 -6.377 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.262 12.860 -3.956 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.093 11.812 -3.588 1.00 0.00 H new ATOM 0 HE ARG A 86 1.127 13.988 -5.080 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.534 13.439 -2.012 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.273 14.784 -1.200 1.00 0.00 H new ATOM 0 HH21 ARG A 86 2.181 15.699 -4.022 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.805 16.059 -2.334 1.00 0.00 H new ATOM 1109 N TYR A 87 -3.801 8.943 -5.679 1.00 0.00 N ATOM 1110 CA TYR A 87 -4.458 7.797 -6.291 1.00 0.00 C ATOM 1111 C TYR A 87 -5.904 7.695 -5.819 1.00 0.00 C ATOM 1112 O TYR A 87 -6.509 6.623 -5.850 1.00 0.00 O ATOM 1113 CB TYR A 87 -3.697 6.518 -5.935 1.00 0.00 C ATOM 1114 CG TYR A 87 -2.229 6.539 -6.318 1.00 0.00 C ATOM 1115 CD1 TYR A 87 -1.278 7.112 -5.476 1.00 0.00 C ATOM 1116 CD2 TYR A 87 -1.790 5.978 -7.510 1.00 0.00 C ATOM 1117 CE1 TYR A 87 0.063 7.121 -5.813 1.00 0.00 C ATOM 1118 CE2 TYR A 87 -0.450 5.987 -7.851 1.00 0.00 C ATOM 1119 CZ TYR A 87 0.470 6.559 -7.000 1.00 0.00 C ATOM 1120 OH TYR A 87 1.806 6.565 -7.329 1.00 0.00 O ATOM 0 H TYR A 87 -3.517 8.792 -4.711 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.458 7.927 -7.373 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -3.778 6.348 -4.861 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -4.178 5.674 -6.429 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -1.594 7.557 -4.544 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.506 5.528 -8.181 1.00 0.00 H new ATOM 0 HE1 TYR A 87 0.787 7.567 -5.147 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -0.125 5.547 -8.782 1.00 0.00 H new ATOM 0 HH TYR A 87 2.127 7.490 -7.379 1.00 0.00 H new ATOM 1130 N GLY A 88 -6.467 8.828 -5.413 1.00 0.00 N ATOM 1131 CA GLY A 88 -7.812 8.845 -4.862 1.00 0.00 C ATOM 1132 C GLY A 88 -8.877 8.545 -5.894 1.00 0.00 C ATOM 1133 O GLY A 88 -10.066 8.515 -5.578 1.00 0.00 O ATOM 0 H GLY A 88 -6.014 9.741 -5.456 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -7.878 8.114 -4.056 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.006 9.823 -4.421 1.00 0.00 H new ATOM 1137 N ASN A 89 -8.447 8.331 -7.126 1.00 0.00 N ATOM 1138 CA ASN A 89 -9.340 7.924 -8.198 1.00 0.00 C ATOM 1139 C ASN A 89 -9.840 6.506 -7.977 1.00 0.00 C ATOM 1140 O ASN A 89 -10.837 6.087 -8.562 1.00 0.00 O ATOM 1141 CB ASN A 89 -8.624 8.015 -9.547 1.00 0.00 C ATOM 1142 CG ASN A 89 -7.357 7.178 -9.595 1.00 0.00 C ATOM 1143 OD1 ASN A 89 -6.284 7.630 -9.194 1.00 0.00 O ATOM 1144 ND2 ASN A 89 -7.466 5.957 -10.096 1.00 0.00 N ATOM 0 H ASN A 89 -7.473 8.434 -7.411 1.00 0.00 H new ATOM 0 HA ASN A 89 -10.196 8.599 -8.199 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -9.301 7.688 -10.336 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -8.375 9.056 -9.752 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -6.644 5.357 -10.160 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -8.372 5.617 -10.418 1.00 0.00 H new ATOM 1151 N PHE A 90 -9.137 5.772 -7.133 1.00 0.00 N ATOM 1152 CA PHE A 90 -9.495 4.395 -6.839 1.00 0.00 C ATOM 1153 C PHE A 90 -9.347 4.089 -5.352 1.00 0.00 C ATOM 1154 O PHE A 90 -10.143 3.345 -4.786 1.00 0.00 O ATOM 1155 CB PHE A 90 -8.633 3.430 -7.664 1.00 0.00 C ATOM 1156 CG PHE A 90 -8.943 1.978 -7.418 1.00 0.00 C ATOM 1157 CD1 PHE A 90 -9.961 1.346 -8.110 1.00 0.00 C ATOM 1158 CD2 PHE A 90 -8.218 1.251 -6.488 1.00 0.00 C ATOM 1159 CE1 PHE A 90 -10.250 0.013 -7.883 1.00 0.00 C ATOM 1160 CE2 PHE A 90 -8.502 -0.081 -6.256 1.00 0.00 C ATOM 1161 CZ PHE A 90 -9.520 -0.700 -6.953 1.00 0.00 C ATOM 0 H PHE A 90 -8.311 6.108 -6.637 1.00 0.00 H new ATOM 0 HA PHE A 90 -10.542 4.258 -7.111 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -8.773 3.647 -8.723 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -7.582 3.611 -7.437 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -10.537 1.901 -8.836 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -7.422 1.731 -5.938 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -11.045 -0.469 -8.432 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -7.928 -0.637 -5.530 1.00 0.00 H new ATOM 0 HZ PHE A 90 -9.745 -1.741 -6.771 1.00 0.00 H new ATOM 1171 N VAL A 91 -8.343 4.674 -4.714 1.00 0.00 N ATOM 1172 CA VAL A 91 -8.046 4.339 -3.324 1.00 0.00 C ATOM 1173 C VAL A 91 -8.772 5.292 -2.380 1.00 0.00 C ATOM 1174 O VAL A 91 -9.202 6.375 -2.789 1.00 0.00 O ATOM 1175 CB VAL A 91 -6.521 4.368 -3.034 1.00 0.00 C ATOM 1176 CG1 VAL A 91 -5.715 4.146 -4.302 1.00 0.00 C ATOM 1177 CG2 VAL A 91 -6.103 5.667 -2.375 1.00 0.00 C ATOM 0 H VAL A 91 -7.727 5.374 -5.127 1.00 0.00 H new ATOM 0 HA VAL A 91 -8.399 3.322 -3.154 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.314 3.552 -2.342 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.651 4.172 -4.066 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.969 3.176 -4.729 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.946 4.931 -5.022 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.029 5.651 -2.187 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.344 6.502 -3.032 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.635 5.783 -1.431 1.00 0.00 H new ATOM 1187 N THR A 92 -8.930 4.885 -1.127 1.00 0.00 N ATOM 1188 CA THR A 92 -9.644 5.692 -0.151 1.00 0.00 C ATOM 1189 C THR A 92 -9.146 5.409 1.267 1.00 0.00 C ATOM 1190 O THR A 92 -8.696 4.302 1.563 1.00 0.00 O ATOM 1191 CB THR A 92 -11.162 5.398 -0.230 1.00 0.00 C ATOM 1192 OG1 THR A 92 -11.619 5.548 -1.579 1.00 0.00 O ATOM 1193 CG2 THR A 92 -11.964 6.313 0.681 1.00 0.00 C ATOM 0 H THR A 92 -8.573 4.001 -0.765 1.00 0.00 H new ATOM 0 HA THR A 92 -9.459 6.741 -0.382 1.00 0.00 H new ATOM 0 HB THR A 92 -11.315 4.372 0.104 1.00 0.00 H new ATOM 0 HG1 THR A 92 -12.580 5.359 -1.622 1.00 0.00 H new ATOM 0 HG21 THR A 92 -13.024 6.074 0.595 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.642 6.172 1.713 1.00 0.00 H new ATOM 0 HG23 THR A 92 -11.802 7.351 0.389 1.00 0.00 H new ATOM 1201 N TYR A 93 -9.204 6.412 2.133 1.00 0.00 N ATOM 1202 CA TYR A 93 -8.882 6.216 3.532 1.00 0.00 C ATOM 1203 C TYR A 93 -10.151 6.342 4.363 1.00 0.00 C ATOM 1204 O TYR A 93 -10.678 7.436 4.563 1.00 0.00 O ATOM 1205 CB TYR A 93 -7.815 7.208 3.999 1.00 0.00 C ATOM 1206 CG TYR A 93 -7.302 6.908 5.391 1.00 0.00 C ATOM 1207 CD1 TYR A 93 -6.988 5.605 5.759 1.00 0.00 C ATOM 1208 CD2 TYR A 93 -7.122 7.915 6.330 1.00 0.00 C ATOM 1209 CE1 TYR A 93 -6.513 5.313 7.020 1.00 0.00 C ATOM 1210 CE2 TYR A 93 -6.645 7.630 7.599 1.00 0.00 C ATOM 1211 CZ TYR A 93 -6.342 6.325 7.936 1.00 0.00 C ATOM 1212 OH TYR A 93 -5.861 6.029 9.195 1.00 0.00 O ATOM 0 H TYR A 93 -9.471 7.366 1.888 1.00 0.00 H new ATOM 0 HA TYR A 93 -8.468 5.216 3.664 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -6.980 7.193 3.298 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.229 8.216 3.979 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -7.119 4.806 5.044 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.357 8.936 6.067 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.276 4.294 7.288 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.511 8.423 8.320 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.091 5.427 9.118 1.00 0.00 H new ATOM 1222 N ASP A 94 -10.627 5.202 4.833 1.00 0.00 N ATOM 1223 CA ASP A 94 -11.904 5.103 5.528 1.00 0.00 C ATOM 1224 C ASP A 94 -11.882 3.845 6.383 1.00 0.00 C ATOM 1225 O ASP A 94 -11.044 2.971 6.151 1.00 0.00 O ATOM 1226 CB ASP A 94 -13.052 5.000 4.511 1.00 0.00 C ATOM 1227 CG ASP A 94 -14.123 6.062 4.687 1.00 0.00 C ATOM 1228 OD1 ASP A 94 -13.911 7.212 4.251 1.00 0.00 O ATOM 1229 OD2 ASP A 94 -15.203 5.735 5.231 1.00 0.00 O ATOM 0 H ASP A 94 -10.137 4.312 4.744 1.00 0.00 H new ATOM 0 HA ASP A 94 -12.058 5.988 6.146 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -12.641 5.075 3.504 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -13.512 4.016 4.595 1.00 0.00 H new ATOM 1234 N PRO A 95 -12.769 3.734 7.385 1.00 0.00 N ATOM 1235 CA PRO A 95 -12.926 2.500 8.158 1.00 0.00 C ATOM 1236 C PRO A 95 -13.151 1.321 7.216 1.00 0.00 C ATOM 1237 O PRO A 95 -13.931 1.428 6.271 1.00 0.00 O ATOM 1238 CB PRO A 95 -14.175 2.761 9.017 1.00 0.00 C ATOM 1239 CG PRO A 95 -14.812 3.981 8.438 1.00 0.00 C ATOM 1240 CD PRO A 95 -13.698 4.776 7.825 1.00 0.00 C ATOM 0 HA PRO A 95 -12.051 2.254 8.760 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -14.856 1.911 8.986 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -13.907 2.917 10.062 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.559 3.714 7.690 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -15.325 4.557 9.209 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -14.046 5.387 6.992 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.238 5.452 8.546 1.00 0.00 H new