USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 666 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 SER OG : rot 35:sc= 1.2 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -162:sc= -0.0376 (180deg=-0.367) USER MOD Single : A 21 CYS SG : rot 29:sc= 0.242 USER MOD Single : A 27 GLN : amide:sc= -0.653 K(o=-0.65,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.0291 X(o=-0.029,f=-0.36) USER MOD Single : A 33 CYS SG : rot -24:sc= 0.0193 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -2.19 X(o=-2.2,f=-2!) USER MOD Single : A 50 GLN : amide:sc= -2.82! C(o=-2.8!,f=-2.7!) USER MOD Single : A 53 GLN : amide:sc= -0.133 K(o=-0.13,f=-1.9!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 36:sc= 0.44 USER MOD Single : A 59 CYS SG : rot 180:sc= -0.258 USER MOD Single : A 67 HIS : no HD1:sc= -0.377 X(o=-0.38,f=-0.0027) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= -1.04 K(o=-1,f=-2.3!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 165:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 CYS SG : rot 109:sc= 0.0251 USER MOD Single : A 85 ASN : amide:sc= -4.24! C(o=-4.2!,f=-22!) USER MOD Single : A 89 GLN : amide:sc= -0.0647 X(o=-0.065,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 CYS SG : rot 97:sc= 1.25 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.192 USER MOD Single : A 99 HIS : no HE2:sc= -2.38! C(o=-2.4!,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 83 N GLU A 9 18.900 -1.471 1.460 1.00 0.00 N ATOM 84 CA GLU A 9 17.503 -1.561 1.049 1.00 0.00 C ATOM 85 C GLU A 9 16.675 -2.300 2.096 1.00 0.00 C ATOM 86 O GLU A 9 17.191 -2.713 3.134 1.00 0.00 O ATOM 87 CB GLU A 9 17.391 -2.272 -0.301 1.00 0.00 C ATOM 88 CG GLU A 9 17.816 -1.411 -1.479 1.00 0.00 C ATOM 89 CD GLU A 9 18.311 -2.233 -2.654 1.00 0.00 C ATOM 90 OE1 GLU A 9 19.522 -2.532 -2.701 1.00 0.00 O ATOM 91 OE2 GLU A 9 17.485 -2.578 -3.525 1.00 0.00 O ATOM 0 HA GLU A 9 17.113 -0.548 0.951 1.00 0.00 H new ATOM 0 HB2 GLU A 9 18.005 -3.173 -0.280 1.00 0.00 H new ATOM 0 HB3 GLU A 9 16.360 -2.592 -0.449 1.00 0.00 H new ATOM 0 HG2 GLU A 9 16.973 -0.798 -1.799 1.00 0.00 H new ATOM 0 HG3 GLU A 9 18.604 -0.729 -1.160 1.00 0.00 H new ATOM 98 N VAL A 10 15.386 -2.462 1.815 1.00 0.00 N ATOM 99 CA VAL A 10 14.484 -3.151 2.731 1.00 0.00 C ATOM 100 C VAL A 10 13.412 -3.922 1.970 1.00 0.00 C ATOM 101 O VAL A 10 13.031 -3.547 0.861 1.00 0.00 O ATOM 102 CB VAL A 10 13.803 -2.164 3.697 1.00 0.00 C ATOM 103 CG1 VAL A 10 12.502 -2.747 4.227 1.00 0.00 C ATOM 104 CG2 VAL A 10 14.741 -1.805 4.839 1.00 0.00 C ATOM 0 H VAL A 10 14.943 -2.126 0.960 1.00 0.00 H new ATOM 0 HA VAL A 10 15.091 -3.850 3.306 1.00 0.00 H new ATOM 0 HB VAL A 10 13.567 -1.251 3.150 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.035 -2.035 4.908 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.828 -2.949 3.395 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.709 -3.676 4.759 1.00 0.00 H new ATOM 0 HG21 VAL A 10 14.244 -1.107 5.512 1.00 0.00 H new ATOM 0 HG22 VAL A 10 15.010 -2.708 5.387 1.00 0.00 H new ATOM 0 HG23 VAL A 10 15.643 -1.342 4.438 1.00 0.00 H new ATOM 114 N ALA A 11 12.928 -5.003 2.573 1.00 0.00 N ATOM 115 CA ALA A 11 11.897 -5.827 1.953 1.00 0.00 C ATOM 116 C ALA A 11 10.511 -5.227 2.169 1.00 0.00 C ATOM 117 O ALA A 11 10.292 -4.420 3.074 1.00 0.00 O ATOM 118 CB ALA A 11 11.952 -7.244 2.504 1.00 0.00 C ATOM 0 H ALA A 11 13.233 -5.329 3.490 1.00 0.00 H new ATOM 0 HA ALA A 11 12.088 -5.858 0.880 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.177 -7.848 2.032 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.929 -7.679 2.293 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.789 -7.222 3.582 1.00 0.00 H new ATOM 124 N PRO A 12 9.553 -5.626 1.320 1.00 0.00 N ATOM 125 CA PRO A 12 8.173 -5.140 1.398 1.00 0.00 C ATOM 126 C PRO A 12 7.441 -5.668 2.627 1.00 0.00 C ATOM 127 O PRO A 12 7.680 -6.793 3.068 1.00 0.00 O ATOM 128 CB PRO A 12 7.532 -5.684 0.119 1.00 0.00 C ATOM 129 CG PRO A 12 8.340 -6.887 -0.228 1.00 0.00 C ATOM 130 CD PRO A 12 9.744 -6.585 0.218 1.00 0.00 C ATOM 0 HA PRO A 12 8.128 -4.054 1.485 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.486 -5.943 0.280 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.558 -4.945 -0.682 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.954 -7.775 0.273 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.305 -7.085 -1.299 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.261 -7.484 0.553 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.339 -6.157 -0.589 1.00 0.00 H new ATOM 138 N SER A 13 6.548 -4.851 3.175 1.00 0.00 N ATOM 139 CA SER A 13 5.783 -5.235 4.356 1.00 0.00 C ATOM 140 C SER A 13 4.638 -4.258 4.603 1.00 0.00 C ATOM 141 O SER A 13 4.502 -3.253 3.904 1.00 0.00 O ATOM 142 CB SER A 13 6.694 -5.292 5.584 1.00 0.00 C ATOM 143 OG SER A 13 7.284 -6.574 5.722 1.00 0.00 O ATOM 0 H SER A 13 6.336 -3.918 2.820 1.00 0.00 H new ATOM 0 HA SER A 13 5.361 -6.224 4.179 1.00 0.00 H new ATOM 0 HB2 SER A 13 7.475 -4.536 5.497 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.119 -5.055 6.479 1.00 0.00 H new ATOM 0 HG SER A 13 7.467 -6.947 4.834 1.00 0.00 H new ATOM 149 N PHE A 14 3.817 -4.559 5.604 1.00 0.00 N ATOM 150 CA PHE A 14 2.682 -3.709 5.944 1.00 0.00 C ATOM 151 C PHE A 14 2.673 -3.386 7.436 1.00 0.00 C ATOM 152 O PHE A 14 2.455 -4.264 8.271 1.00 0.00 O ATOM 153 CB PHE A 14 1.370 -4.390 5.550 1.00 0.00 C ATOM 154 CG PHE A 14 1.159 -4.471 4.066 1.00 0.00 C ATOM 155 CD1 PHE A 14 0.759 -3.356 3.348 1.00 0.00 C ATOM 156 CD2 PHE A 14 1.361 -5.662 3.388 1.00 0.00 C ATOM 157 CE1 PHE A 14 0.563 -3.428 1.982 1.00 0.00 C ATOM 158 CE2 PHE A 14 1.168 -5.740 2.021 1.00 0.00 C ATOM 159 CZ PHE A 14 0.769 -4.621 1.317 1.00 0.00 C ATOM 0 H PHE A 14 3.917 -5.385 6.194 1.00 0.00 H new ATOM 0 HA PHE A 14 2.779 -2.776 5.388 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.353 -5.397 5.967 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.539 -3.846 5.998 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.598 -2.420 3.862 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.673 -6.540 3.934 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.249 -2.552 1.434 1.00 0.00 H new ATOM 0 HE2 PHE A 14 1.329 -6.675 1.505 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.618 -4.679 0.249 1.00 0.00 H new ATOM 169 N SER A 15 2.912 -2.120 7.763 1.00 0.00 N ATOM 170 CA SER A 15 2.935 -1.680 9.153 1.00 0.00 C ATOM 171 C SER A 15 1.524 -1.621 9.728 1.00 0.00 C ATOM 172 O SER A 15 1.304 -1.935 10.897 1.00 0.00 O ATOM 173 CB SER A 15 3.603 -0.308 9.265 1.00 0.00 C ATOM 174 OG SER A 15 3.868 0.021 10.618 1.00 0.00 O ATOM 0 H SER A 15 3.093 -1.381 7.084 1.00 0.00 H new ATOM 0 HA SER A 15 3.512 -2.404 9.728 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.534 -0.306 8.698 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.958 0.451 8.822 1.00 0.00 H new ATOM 0 HG SER A 15 4.296 0.901 10.663 1.00 0.00 H new ATOM 180 N SER A 16 0.570 -1.214 8.896 1.00 0.00 N ATOM 181 CA SER A 16 -0.821 -1.109 9.322 1.00 0.00 C ATOM 182 C SER A 16 -1.750 -1.782 8.316 1.00 0.00 C ATOM 183 O SER A 16 -2.383 -1.117 7.495 1.00 0.00 O ATOM 184 CB SER A 16 -1.215 0.360 9.492 1.00 0.00 C ATOM 185 OG SER A 16 -0.439 0.982 10.502 1.00 0.00 O ATOM 0 H SER A 16 0.735 -0.952 7.924 1.00 0.00 H new ATOM 0 HA SER A 16 -0.921 -1.619 10.280 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.080 0.888 8.548 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.273 0.429 9.747 1.00 0.00 H new ATOM 0 HG SER A 16 -0.708 1.920 10.590 1.00 0.00 H new ATOM 191 N VAL A 17 -1.825 -3.108 8.385 1.00 0.00 N ATOM 192 CA VAL A 17 -2.677 -3.873 7.482 1.00 0.00 C ATOM 193 C VAL A 17 -4.085 -3.292 7.429 1.00 0.00 C ATOM 194 O VAL A 17 -4.470 -2.491 8.282 1.00 0.00 O ATOM 195 CB VAL A 17 -2.759 -5.351 7.906 1.00 0.00 C ATOM 196 CG1 VAL A 17 -1.368 -5.961 7.990 1.00 0.00 C ATOM 197 CG2 VAL A 17 -3.489 -5.485 9.234 1.00 0.00 C ATOM 0 H VAL A 17 -1.306 -3.674 9.056 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.225 -3.811 6.492 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.324 -5.896 7.150 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.446 -7.006 8.291 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.884 -5.900 7.015 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.775 -5.415 8.724 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.538 -6.536 9.518 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.954 -4.926 10.002 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.500 -5.089 9.135 1.00 0.00 H new ATOM 207 N LEU A 18 -4.850 -3.700 6.423 1.00 0.00 N ATOM 208 CA LEU A 18 -6.218 -3.220 6.259 1.00 0.00 C ATOM 209 C LEU A 18 -7.126 -3.777 7.352 1.00 0.00 C ATOM 210 O LEU A 18 -6.843 -4.824 7.935 1.00 0.00 O ATOM 211 CB LEU A 18 -6.756 -3.616 4.883 1.00 0.00 C ATOM 212 CG LEU A 18 -6.071 -2.964 3.682 1.00 0.00 C ATOM 213 CD1 LEU A 18 -6.220 -3.835 2.444 1.00 0.00 C ATOM 214 CD2 LEU A 18 -6.642 -1.575 3.430 1.00 0.00 C ATOM 0 H LEU A 18 -4.547 -4.362 5.709 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.208 -2.133 6.340 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.673 -4.698 4.780 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.818 -3.373 4.846 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.009 -2.864 3.905 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.726 -3.354 1.599 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.763 -4.808 2.626 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.278 -3.968 2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.142 -1.126 2.571 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.710 -1.652 3.229 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.483 -0.951 4.309 1.00 0.00 H new ATOM 226 N LYS A 19 -8.219 -3.072 7.622 1.00 0.00 N ATOM 227 CA LYS A 19 -9.171 -3.496 8.642 1.00 0.00 C ATOM 228 C LYS A 19 -10.583 -3.568 8.071 1.00 0.00 C ATOM 229 O LYS A 19 -10.863 -3.011 7.009 1.00 0.00 O ATOM 230 CB LYS A 19 -9.138 -2.534 9.832 1.00 0.00 C ATOM 231 CG LYS A 19 -7.772 -2.422 10.486 1.00 0.00 C ATOM 232 CD LYS A 19 -6.908 -1.378 9.798 1.00 0.00 C ATOM 233 CE LYS A 19 -5.588 -1.178 10.528 1.00 0.00 C ATOM 234 NZ LYS A 19 -5.793 -0.687 11.919 1.00 0.00 N ATOM 0 H LYS A 19 -8.468 -2.204 7.148 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.884 -4.492 8.980 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.454 -1.546 9.498 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.862 -2.865 10.577 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.891 -2.161 11.538 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.271 -3.390 10.452 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.714 -1.685 8.770 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.447 -0.431 9.752 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.040 -2.120 10.552 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.973 -0.466 9.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.906 -0.278 12.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.537 0.040 11.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.079 -1.480 12.528 1.00 0.00 H new ATOM 248 N ASP A 20 -11.470 -4.255 8.783 1.00 0.00 N ATOM 249 CA ASP A 20 -12.855 -4.397 8.348 1.00 0.00 C ATOM 250 C ASP A 20 -13.573 -3.051 8.375 1.00 0.00 C ATOM 251 O ASP A 20 -13.262 -2.187 9.196 1.00 0.00 O ATOM 252 CB ASP A 20 -13.591 -5.400 9.238 1.00 0.00 C ATOM 253 CG ASP A 20 -13.893 -4.840 10.614 1.00 0.00 C ATOM 254 OD1 ASP A 20 -13.044 -4.101 11.153 1.00 0.00 O ATOM 255 OD2 ASP A 20 -14.979 -5.142 11.152 1.00 0.00 O ATOM 0 H ASP A 20 -11.255 -4.722 9.664 1.00 0.00 H new ATOM 0 HA ASP A 20 -12.852 -4.767 7.323 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -14.523 -5.693 8.756 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -12.987 -6.302 9.340 1.00 0.00 H new ATOM 260 N CYS A 21 -14.533 -2.881 7.473 1.00 0.00 N ATOM 261 CA CYS A 21 -15.295 -1.640 7.393 1.00 0.00 C ATOM 262 C CYS A 21 -16.696 -1.896 6.846 1.00 0.00 C ATOM 263 O CYS A 21 -17.034 -3.021 6.480 1.00 0.00 O ATOM 264 CB CYS A 21 -14.567 -0.627 6.508 1.00 0.00 C ATOM 265 SG CYS A 21 -13.392 0.420 7.398 1.00 0.00 S ATOM 0 H CYS A 21 -14.802 -3.586 6.787 1.00 0.00 H new ATOM 0 HA CYS A 21 -15.386 -1.233 8.400 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -14.036 -1.163 5.721 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -15.305 0.008 6.018 1.00 0.00 H new ATOM 0 HG CYS A 21 -12.923 -0.228 8.423 1.00 0.00 H new ATOM 271 N ALA A 22 -17.507 -0.845 6.796 1.00 0.00 N ATOM 272 CA ALA A 22 -18.871 -0.956 6.295 1.00 0.00 C ATOM 273 C ALA A 22 -19.301 0.324 5.585 1.00 0.00 C ATOM 274 O ALA A 22 -18.828 1.414 5.907 1.00 0.00 O ATOM 275 CB ALA A 22 -19.828 -1.276 7.434 1.00 0.00 C ATOM 0 H ALA A 22 -17.243 0.093 7.096 1.00 0.00 H new ATOM 0 HA ALA A 22 -18.900 -1.770 5.571 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -20.843 -1.356 7.045 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -19.541 -2.221 7.896 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -19.786 -0.481 8.178 1.00 0.00 H new ATOM 281 N VAL A 23 -20.200 0.184 4.616 1.00 0.00 N ATOM 282 CA VAL A 23 -20.694 1.329 3.860 1.00 0.00 C ATOM 283 C VAL A 23 -22.140 1.118 3.426 1.00 0.00 C ATOM 284 O VAL A 23 -22.585 -0.015 3.243 1.00 0.00 O ATOM 285 CB VAL A 23 -19.829 1.595 2.614 1.00 0.00 C ATOM 286 CG1 VAL A 23 -20.165 0.606 1.509 1.00 0.00 C ATOM 287 CG2 VAL A 23 -20.012 3.027 2.134 1.00 0.00 C ATOM 0 H VAL A 23 -20.601 -0.711 4.336 1.00 0.00 H new ATOM 0 HA VAL A 23 -20.639 2.193 4.522 1.00 0.00 H new ATOM 0 HB VAL A 23 -18.782 1.458 2.884 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -19.544 0.810 0.637 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -19.977 -0.409 1.859 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -21.216 0.707 1.237 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -19.393 3.197 1.253 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -21.059 3.195 1.880 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -19.715 3.716 2.924 1.00 0.00 H new ATOM 297 N ILE A 24 -22.869 2.217 3.262 1.00 0.00 N ATOM 298 CA ILE A 24 -24.265 2.153 2.847 1.00 0.00 C ATOM 299 C ILE A 24 -24.400 2.349 1.340 1.00 0.00 C ATOM 300 O ILE A 24 -23.612 3.066 0.725 1.00 0.00 O ATOM 301 CB ILE A 24 -25.117 3.213 3.570 1.00 0.00 C ATOM 302 CG1 ILE A 24 -25.390 2.782 5.012 1.00 0.00 C ATOM 303 CG2 ILE A 24 -26.422 3.442 2.823 1.00 0.00 C ATOM 304 CD1 ILE A 24 -25.835 3.917 5.908 1.00 0.00 C ATOM 0 H ILE A 24 -22.516 3.162 3.410 1.00 0.00 H new ATOM 0 HA ILE A 24 -24.629 1.161 3.116 1.00 0.00 H new ATOM 0 HB ILE A 24 -24.563 4.152 3.590 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -26.157 2.008 5.012 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -24.486 2.336 5.427 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -27.013 4.194 3.346 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -26.207 3.788 1.812 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -26.982 2.508 2.775 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -26.010 3.538 6.915 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -25.059 4.682 5.938 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -26.756 4.349 5.517 1.00 0.00 H new ATOM 316 N GLU A 25 -25.406 1.708 0.754 1.00 0.00 N ATOM 317 CA GLU A 25 -25.645 1.813 -0.681 1.00 0.00 C ATOM 318 C GLU A 25 -25.758 3.274 -1.108 1.00 0.00 C ATOM 319 O GLU A 25 -26.683 3.979 -0.707 1.00 0.00 O ATOM 320 CB GLU A 25 -26.919 1.058 -1.065 1.00 0.00 C ATOM 321 CG GLU A 25 -26.982 0.679 -2.535 1.00 0.00 C ATOM 322 CD GLU A 25 -28.262 -0.049 -2.896 1.00 0.00 C ATOM 323 OE1 GLU A 25 -29.302 0.234 -2.265 1.00 0.00 O ATOM 324 OE2 GLU A 25 -28.225 -0.900 -3.808 1.00 0.00 O ATOM 0 H GLU A 25 -26.068 1.111 1.250 1.00 0.00 H new ATOM 0 HA GLU A 25 -24.796 1.366 -1.199 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -26.991 0.153 -0.462 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -27.784 1.674 -0.820 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -26.897 1.580 -3.142 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -26.128 0.048 -2.780 1.00 0.00 H new ATOM 331 N GLY A 26 -24.808 3.721 -1.924 1.00 0.00 N ATOM 332 CA GLY A 26 -24.818 5.095 -2.392 1.00 0.00 C ATOM 333 C GLY A 26 -23.727 5.932 -1.754 1.00 0.00 C ATOM 334 O GLY A 26 -23.412 7.020 -2.235 1.00 0.00 O ATOM 0 H GLY A 26 -24.032 3.156 -2.269 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -24.695 5.108 -3.475 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -25.788 5.542 -2.176 1.00 0.00 H new ATOM 338 N GLN A 27 -23.151 5.424 -0.670 1.00 0.00 N ATOM 339 CA GLN A 27 -22.090 6.135 0.035 1.00 0.00 C ATOM 340 C GLN A 27 -20.727 5.818 -0.570 1.00 0.00 C ATOM 341 O GLN A 27 -20.631 5.108 -1.572 1.00 0.00 O ATOM 342 CB GLN A 27 -22.100 5.767 1.520 1.00 0.00 C ATOM 343 CG GLN A 27 -23.156 6.508 2.323 1.00 0.00 C ATOM 344 CD GLN A 27 -22.741 6.736 3.763 1.00 0.00 C ATOM 345 OE1 GLN A 27 -22.753 7.865 4.254 1.00 0.00 O ATOM 346 NE2 GLN A 27 -22.370 5.661 4.450 1.00 0.00 N ATOM 0 H GLN A 27 -23.400 4.524 -0.261 1.00 0.00 H new ATOM 0 HA GLN A 27 -22.273 7.205 -0.068 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -22.267 4.694 1.619 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -21.118 5.978 1.945 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -23.358 7.469 1.851 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -24.087 5.941 2.303 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -22.375 4.744 4.004 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -22.080 5.753 5.424 1.00 0.00 H new ATOM 355 N ASP A 28 -19.675 6.349 0.043 1.00 0.00 N ATOM 356 CA ASP A 28 -18.316 6.122 -0.435 1.00 0.00 C ATOM 357 C ASP A 28 -17.421 5.615 0.691 1.00 0.00 C ATOM 358 O ASP A 28 -17.713 5.820 1.870 1.00 0.00 O ATOM 359 CB ASP A 28 -17.737 7.410 -1.022 1.00 0.00 C ATOM 360 CG ASP A 28 -17.836 8.579 -0.062 1.00 0.00 C ATOM 361 OD1 ASP A 28 -18.871 8.695 0.628 1.00 0.00 O ATOM 362 OD2 ASP A 28 -16.878 9.378 0.000 1.00 0.00 O ATOM 0 H ASP A 28 -19.737 6.940 0.872 1.00 0.00 H new ATOM 0 HA ASP A 28 -18.354 5.361 -1.215 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -16.692 7.248 -1.286 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -18.264 7.655 -1.944 1.00 0.00 H new ATOM 367 N PHE A 29 -16.331 4.951 0.321 1.00 0.00 N ATOM 368 CA PHE A 29 -15.395 4.412 1.300 1.00 0.00 C ATOM 369 C PHE A 29 -14.013 4.219 0.682 1.00 0.00 C ATOM 370 O PHE A 29 -13.876 3.623 -0.386 1.00 0.00 O ATOM 371 CB PHE A 29 -15.910 3.081 1.852 1.00 0.00 C ATOM 372 CG PHE A 29 -15.681 1.920 0.927 1.00 0.00 C ATOM 373 CD1 PHE A 29 -14.416 1.374 0.778 1.00 0.00 C ATOM 374 CD2 PHE A 29 -16.731 1.375 0.205 1.00 0.00 C ATOM 375 CE1 PHE A 29 -14.203 0.306 -0.073 1.00 0.00 C ATOM 376 CE2 PHE A 29 -16.524 0.307 -0.647 1.00 0.00 C ATOM 377 CZ PHE A 29 -15.259 -0.229 -0.786 1.00 0.00 C ATOM 0 H PHE A 29 -16.074 4.773 -0.650 1.00 0.00 H new ATOM 0 HA PHE A 29 -15.311 5.128 2.118 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -15.421 2.878 2.805 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -16.977 3.169 2.054 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -13.587 1.788 1.333 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -17.723 1.790 0.310 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -13.212 -0.110 -0.181 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -17.351 -0.108 -1.204 1.00 0.00 H new ATOM 0 HZ PHE A 29 -15.095 -1.064 -1.450 1.00 0.00 H new ATOM 387 N VAL A 30 -12.991 4.729 1.362 1.00 0.00 N ATOM 388 CA VAL A 30 -11.619 4.612 0.881 1.00 0.00 C ATOM 389 C VAL A 30 -10.749 3.855 1.878 1.00 0.00 C ATOM 390 O VAL A 30 -10.431 4.364 2.954 1.00 0.00 O ATOM 391 CB VAL A 30 -10.996 5.997 0.622 1.00 0.00 C ATOM 392 CG1 VAL A 30 -11.076 6.861 1.871 1.00 0.00 C ATOM 393 CG2 VAL A 30 -9.556 5.853 0.154 1.00 0.00 C ATOM 0 H VAL A 30 -13.087 5.227 2.247 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.659 4.057 -0.056 1.00 0.00 H new ATOM 0 HB VAL A 30 -11.563 6.490 -0.168 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -10.631 7.835 1.669 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -12.120 6.991 2.157 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.535 6.377 2.684 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -9.131 6.841 -0.024 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -8.974 5.340 0.920 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.530 5.274 -0.769 1.00 0.00 H new ATOM 403 N LEU A 31 -10.367 2.636 1.515 1.00 0.00 N ATOM 404 CA LEU A 31 -9.533 1.806 2.377 1.00 0.00 C ATOM 405 C LEU A 31 -8.148 2.422 2.550 1.00 0.00 C ATOM 406 O LEU A 31 -7.388 2.542 1.590 1.00 0.00 O ATOM 407 CB LEU A 31 -9.408 0.397 1.797 1.00 0.00 C ATOM 408 CG LEU A 31 -10.721 -0.351 1.563 1.00 0.00 C ATOM 409 CD1 LEU A 31 -10.547 -1.410 0.485 1.00 0.00 C ATOM 410 CD2 LEU A 31 -11.214 -0.981 2.857 1.00 0.00 C ATOM 0 H LEU A 31 -10.622 2.200 0.629 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.010 1.748 3.355 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.876 0.462 0.848 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.789 -0.197 2.469 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.469 0.365 1.223 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.492 -1.932 0.332 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.240 -0.934 -0.446 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.784 -2.124 0.796 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.149 -1.509 2.671 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.468 -1.684 3.227 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.379 -0.202 3.601 1.00 0.00 H new ATOM 422 N GLN A 32 -7.827 2.807 3.781 1.00 0.00 N ATOM 423 CA GLN A 32 -6.532 3.409 4.079 1.00 0.00 C ATOM 424 C GLN A 32 -5.655 2.446 4.872 1.00 0.00 C ATOM 425 O GLN A 32 -6.093 1.868 5.868 1.00 0.00 O ATOM 426 CB GLN A 32 -6.719 4.710 4.862 1.00 0.00 C ATOM 427 CG GLN A 32 -5.445 5.528 4.994 1.00 0.00 C ATOM 428 CD GLN A 32 -5.422 6.374 6.252 1.00 0.00 C ATOM 429 OE1 GLN A 32 -5.711 5.888 7.346 1.00 0.00 O ATOM 430 NE2 GLN A 32 -5.078 7.648 6.103 1.00 0.00 N ATOM 0 H GLN A 32 -8.445 2.713 4.587 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.036 3.630 3.134 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.480 5.315 4.369 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.095 4.474 5.858 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.586 4.857 4.996 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -5.342 6.176 4.123 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -4.846 8.009 5.178 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -5.046 8.266 6.914 1.00 0.00 H new ATOM 439 N CYS A 33 -4.415 2.278 4.425 1.00 0.00 N ATOM 440 CA CYS A 33 -3.476 1.384 5.093 1.00 0.00 C ATOM 441 C CYS A 33 -2.061 1.951 5.048 1.00 0.00 C ATOM 442 O CYS A 33 -1.822 3.007 4.462 1.00 0.00 O ATOM 443 CB CYS A 33 -3.505 0.001 4.441 1.00 0.00 C ATOM 444 SG CYS A 33 -3.102 0.007 2.678 1.00 0.00 S ATOM 0 H CYS A 33 -4.037 2.749 3.603 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.779 1.292 6.136 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.801 -0.649 4.961 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.497 -0.431 4.575 1.00 0.00 H new ATOM 0 HG CYS A 33 -3.345 1.184 2.181 1.00 0.00 H new ATOM 450 N SER A 34 -1.125 1.243 5.674 1.00 0.00 N ATOM 451 CA SER A 34 0.266 1.679 5.711 1.00 0.00 C ATOM 452 C SER A 34 1.190 0.592 5.169 1.00 0.00 C ATOM 453 O SER A 34 1.250 -0.513 5.708 1.00 0.00 O ATOM 454 CB SER A 34 0.671 2.042 7.141 1.00 0.00 C ATOM 455 OG SER A 34 1.848 2.831 7.152 1.00 0.00 O ATOM 0 H SER A 34 -1.305 0.366 6.162 1.00 0.00 H new ATOM 0 HA SER A 34 0.362 2.562 5.079 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.140 2.586 7.625 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.834 1.132 7.719 1.00 0.00 H new ATOM 0 HG SER A 34 2.085 3.051 8.077 1.00 0.00 H new ATOM 461 N VAL A 35 1.908 0.915 4.098 1.00 0.00 N ATOM 462 CA VAL A 35 2.830 -0.032 3.483 1.00 0.00 C ATOM 463 C VAL A 35 4.260 0.497 3.509 1.00 0.00 C ATOM 464 O VAL A 35 4.502 1.673 3.238 1.00 0.00 O ATOM 465 CB VAL A 35 2.433 -0.336 2.026 1.00 0.00 C ATOM 466 CG1 VAL A 35 2.221 0.955 1.250 1.00 0.00 C ATOM 467 CG2 VAL A 35 3.489 -1.203 1.356 1.00 0.00 C ATOM 0 H VAL A 35 1.869 1.825 3.639 1.00 0.00 H new ATOM 0 HA VAL A 35 2.775 -0.951 4.066 1.00 0.00 H new ATOM 0 HB VAL A 35 1.493 -0.887 2.031 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.941 0.720 0.223 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.426 1.535 1.719 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.143 1.536 1.251 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.192 -1.408 0.327 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.445 -0.680 1.360 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.587 -2.143 1.900 1.00 0.00 H new ATOM 477 N ARG A 36 5.203 -0.380 3.836 1.00 0.00 N ATOM 478 CA ARG A 36 6.610 -0.001 3.898 1.00 0.00 C ATOM 479 C ARG A 36 7.437 -0.818 2.910 1.00 0.00 C ATOM 480 O ARG A 36 6.905 -1.657 2.184 1.00 0.00 O ATOM 481 CB ARG A 36 7.151 -0.196 5.316 1.00 0.00 C ATOM 482 CG ARG A 36 6.422 -1.274 6.103 1.00 0.00 C ATOM 483 CD ARG A 36 7.249 -1.756 7.284 1.00 0.00 C ATOM 484 NE ARG A 36 6.975 -0.987 8.495 1.00 0.00 N ATOM 485 CZ ARG A 36 7.543 0.183 8.767 1.00 0.00 C ATOM 486 NH1 ARG A 36 8.411 0.715 7.918 1.00 0.00 N ATOM 487 NH2 ARG A 36 7.242 0.822 9.890 1.00 0.00 N ATOM 0 H ARG A 36 5.019 -1.357 4.062 1.00 0.00 H new ATOM 0 HA ARG A 36 6.689 1.052 3.628 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.209 -0.452 5.260 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.079 0.748 5.856 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.469 -0.884 6.460 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.197 -2.115 5.447 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.038 -2.809 7.468 1.00 0.00 H new ATOM 0 HD3 ARG A 36 8.308 -1.681 7.039 1.00 0.00 H new ATOM 0 HE ARG A 36 6.311 -1.369 9.169 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.644 0.226 7.054 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.846 1.613 8.129 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.574 0.415 10.545 1.00 0.00 H new ATOM 0 HH22 ARG A 36 7.678 1.720 10.098 1.00 0.00 H new ATOM 501 N GLY A 37 8.743 -0.567 2.889 1.00 0.00 N ATOM 502 CA GLY A 37 9.622 -1.286 1.986 1.00 0.00 C ATOM 503 C GLY A 37 10.528 -0.360 1.198 1.00 0.00 C ATOM 504 O GLY A 37 10.122 0.736 0.809 1.00 0.00 O ATOM 0 H GLY A 37 9.207 0.121 3.481 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.232 -1.986 2.558 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.022 -1.877 1.294 1.00 0.00 H new ATOM 508 N THR A 38 11.760 -0.799 0.963 1.00 0.00 N ATOM 509 CA THR A 38 12.727 -0.002 0.220 1.00 0.00 C ATOM 510 C THR A 38 13.443 -0.843 -0.831 1.00 0.00 C ATOM 511 O THR A 38 14.073 -1.856 -0.526 1.00 0.00 O ATOM 512 CB THR A 38 13.775 0.629 1.157 1.00 0.00 C ATOM 513 OG1 THR A 38 13.126 1.440 2.142 1.00 0.00 O ATOM 514 CG2 THR A 38 14.766 1.473 0.370 1.00 0.00 C ATOM 0 H THR A 38 12.112 -1.703 1.277 1.00 0.00 H new ATOM 0 HA THR A 38 12.167 0.792 -0.274 1.00 0.00 H new ATOM 0 HB THR A 38 14.320 -0.175 1.651 1.00 0.00 H new ATOM 0 HG1 THR A 38 13.799 1.836 2.734 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.496 1.908 1.053 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.279 0.846 -0.359 1.00 0.00 H new ATOM 0 HG23 THR A 38 14.234 2.270 -0.148 1.00 0.00 H new ATOM 522 N PRO A 39 13.345 -0.417 -2.099 1.00 0.00 N ATOM 523 CA PRO A 39 12.597 0.787 -2.474 1.00 0.00 C ATOM 524 C PRO A 39 11.091 0.606 -2.316 1.00 0.00 C ATOM 525 O PRO A 39 10.607 -0.509 -2.125 1.00 0.00 O ATOM 526 CB PRO A 39 12.960 0.985 -3.948 1.00 0.00 C ATOM 527 CG PRO A 39 13.326 -0.374 -4.434 1.00 0.00 C ATOM 528 CD PRO A 39 13.958 -1.077 -3.264 1.00 0.00 C ATOM 0 HA PRO A 39 12.849 1.638 -1.841 1.00 0.00 H new ATOM 0 HB2 PRO A 39 12.121 1.394 -4.511 1.00 0.00 H new ATOM 0 HB3 PRO A 39 13.790 1.683 -4.061 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.446 -0.913 -4.784 1.00 0.00 H new ATOM 0 HG3 PRO A 39 14.018 -0.315 -5.274 1.00 0.00 H new ATOM 0 HD2 PRO A 39 13.748 -2.147 -3.277 1.00 0.00 H new ATOM 0 HD3 PRO A 39 15.042 -0.965 -3.265 1.00 0.00 H new ATOM 536 N VAL A 40 10.356 1.710 -2.397 1.00 0.00 N ATOM 537 CA VAL A 40 8.904 1.673 -2.264 1.00 0.00 C ATOM 538 C VAL A 40 8.295 0.619 -3.181 1.00 0.00 C ATOM 539 O VAL A 40 8.448 0.659 -4.402 1.00 0.00 O ATOM 540 CB VAL A 40 8.276 3.042 -2.586 1.00 0.00 C ATOM 541 CG1 VAL A 40 6.758 2.958 -2.537 1.00 0.00 C ATOM 542 CG2 VAL A 40 8.791 4.104 -1.626 1.00 0.00 C ATOM 0 H VAL A 40 10.742 2.641 -2.554 1.00 0.00 H new ATOM 0 HA VAL A 40 8.688 1.417 -1.227 1.00 0.00 H new ATOM 0 HB VAL A 40 8.568 3.327 -3.597 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.332 3.935 -2.767 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.410 2.229 -3.269 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.443 2.650 -1.540 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.337 5.065 -1.868 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.531 3.827 -0.604 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.874 4.182 -1.717 1.00 0.00 H new ATOM 552 N PRO A 41 7.587 -0.350 -2.581 1.00 0.00 N ATOM 553 CA PRO A 41 6.940 -1.434 -3.326 1.00 0.00 C ATOM 554 C PRO A 41 5.755 -0.943 -4.151 1.00 0.00 C ATOM 555 O PRO A 41 5.112 0.047 -3.803 1.00 0.00 O ATOM 556 CB PRO A 41 6.467 -2.387 -2.225 1.00 0.00 C ATOM 557 CG PRO A 41 6.308 -1.525 -1.020 1.00 0.00 C ATOM 558 CD PRO A 41 7.364 -0.461 -1.130 1.00 0.00 C ATOM 0 HA PRO A 41 7.616 -1.895 -4.046 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.527 -2.868 -2.495 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.193 -3.181 -2.050 1.00 0.00 H new ATOM 0 HG2 PRO A 41 5.312 -1.084 -0.984 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.433 -2.105 -0.106 1.00 0.00 H new ATOM 0 HD2 PRO A 41 7.029 0.484 -0.702 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.276 -0.744 -0.604 1.00 0.00 H new ATOM 566 N ARG A 42 5.471 -1.643 -5.244 1.00 0.00 N ATOM 567 CA ARG A 42 4.363 -1.278 -6.119 1.00 0.00 C ATOM 568 C ARG A 42 3.023 -1.538 -5.437 1.00 0.00 C ATOM 569 O ARG A 42 2.884 -2.484 -4.660 1.00 0.00 O ATOM 570 CB ARG A 42 4.440 -2.062 -7.430 1.00 0.00 C ATOM 571 CG ARG A 42 5.315 -1.402 -8.483 1.00 0.00 C ATOM 572 CD ARG A 42 6.761 -1.299 -8.023 1.00 0.00 C ATOM 573 NE ARG A 42 7.678 -1.101 -9.141 1.00 0.00 N ATOM 574 CZ ARG A 42 7.963 -2.043 -10.034 1.00 0.00 C ATOM 575 NH1 ARG A 42 7.403 -3.241 -9.940 1.00 0.00 N ATOM 576 NH2 ARG A 42 8.808 -1.786 -11.024 1.00 0.00 N ATOM 0 H ARG A 42 5.993 -2.466 -5.545 1.00 0.00 H new ATOM 0 HA ARG A 42 4.441 -0.213 -6.336 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.824 -3.061 -7.224 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.434 -2.184 -7.830 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.267 -1.975 -9.409 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.931 -0.406 -8.704 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.860 -0.470 -7.322 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.036 -2.206 -7.485 1.00 0.00 H new ATOM 0 HE ARG A 42 8.125 -0.190 -9.243 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.752 -3.441 -9.181 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.623 -3.962 -10.627 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.239 -0.865 -11.100 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.026 -2.510 -11.709 1.00 0.00 H new ATOM 590 N ILE A 43 2.041 -0.693 -5.732 1.00 0.00 N ATOM 591 CA ILE A 43 0.713 -0.833 -5.147 1.00 0.00 C ATOM 592 C ILE A 43 -0.297 -1.310 -6.185 1.00 0.00 C ATOM 593 O ILE A 43 -0.588 -0.608 -7.154 1.00 0.00 O ATOM 594 CB ILE A 43 0.222 0.496 -4.543 1.00 0.00 C ATOM 595 CG1 ILE A 43 1.228 1.016 -3.514 1.00 0.00 C ATOM 596 CG2 ILE A 43 -1.148 0.314 -3.906 1.00 0.00 C ATOM 597 CD1 ILE A 43 1.782 -0.063 -2.611 1.00 0.00 C ATOM 0 H ILE A 43 2.140 0.095 -6.372 1.00 0.00 H new ATOM 0 HA ILE A 43 0.794 -1.576 -4.354 1.00 0.00 H new ATOM 0 HB ILE A 43 0.135 1.231 -5.343 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.053 1.500 -4.037 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.748 1.779 -2.902 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.482 1.262 -3.484 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.860 -0.017 -4.662 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.085 -0.434 -3.115 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.488 0.378 -1.908 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.966 -0.531 -2.060 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.292 -0.815 -3.213 1.00 0.00 H new ATOM 609 N THR A 44 -0.832 -2.509 -5.975 1.00 0.00 N ATOM 610 CA THR A 44 -1.810 -3.080 -6.892 1.00 0.00 C ATOM 611 C THR A 44 -2.958 -3.735 -6.132 1.00 0.00 C ATOM 612 O THR A 44 -2.752 -4.682 -5.373 1.00 0.00 O ATOM 613 CB THR A 44 -1.165 -4.124 -7.823 1.00 0.00 C ATOM 614 OG1 THR A 44 -0.054 -3.542 -8.515 1.00 0.00 O ATOM 615 CG2 THR A 44 -2.177 -4.650 -8.830 1.00 0.00 C ATOM 0 H THR A 44 -0.604 -3.103 -5.178 1.00 0.00 H new ATOM 0 HA THR A 44 -2.197 -2.258 -7.494 1.00 0.00 H new ATOM 0 HB THR A 44 -0.817 -4.957 -7.213 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.352 -4.212 -9.104 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.698 -5.386 -9.476 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.007 -5.117 -8.301 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.551 -3.824 -9.435 1.00 0.00 H new ATOM 623 N TRP A 45 -4.167 -3.226 -6.342 1.00 0.00 N ATOM 624 CA TRP A 45 -5.348 -3.763 -5.676 1.00 0.00 C ATOM 625 C TRP A 45 -6.115 -4.701 -6.601 1.00 0.00 C ATOM 626 O TRP A 45 -6.192 -4.472 -7.809 1.00 0.00 O ATOM 627 CB TRP A 45 -6.260 -2.625 -5.214 1.00 0.00 C ATOM 628 CG TRP A 45 -5.566 -1.626 -4.339 1.00 0.00 C ATOM 629 CD1 TRP A 45 -4.568 -0.768 -4.706 1.00 0.00 C ATOM 630 CD2 TRP A 45 -5.816 -1.383 -2.950 1.00 0.00 C ATOM 631 NE1 TRP A 45 -4.183 -0.006 -3.628 1.00 0.00 N ATOM 632 CE2 TRP A 45 -4.934 -0.364 -2.540 1.00 0.00 C ATOM 633 CE3 TRP A 45 -6.700 -1.926 -2.014 1.00 0.00 C ATOM 634 CZ2 TRP A 45 -4.912 0.120 -1.235 1.00 0.00 C ATOM 635 CZ3 TRP A 45 -6.677 -1.444 -0.719 1.00 0.00 C ATOM 636 CH2 TRP A 45 -5.789 -0.429 -0.339 1.00 0.00 C ATOM 0 H TRP A 45 -4.355 -2.443 -6.968 1.00 0.00 H new ATOM 0 HA TRP A 45 -5.017 -4.331 -4.806 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -6.663 -2.114 -6.088 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -7.107 -3.045 -4.672 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -4.144 -0.699 -5.697 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -3.456 0.710 -3.637 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -7.389 -2.708 -2.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -4.227 0.901 -0.940 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -7.355 -1.857 0.013 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -5.797 -0.073 0.681 1.00 0.00 H new ATOM 647 N LEU A 46 -6.681 -5.757 -6.029 1.00 0.00 N ATOM 648 CA LEU A 46 -7.443 -6.731 -6.803 1.00 0.00 C ATOM 649 C LEU A 46 -8.670 -7.203 -6.029 1.00 0.00 C ATOM 650 O LEU A 46 -8.658 -7.257 -4.798 1.00 0.00 O ATOM 651 CB LEU A 46 -6.562 -7.928 -7.163 1.00 0.00 C ATOM 652 CG LEU A 46 -5.083 -7.624 -7.406 1.00 0.00 C ATOM 653 CD1 LEU A 46 -4.330 -7.550 -6.087 1.00 0.00 C ATOM 654 CD2 LEU A 46 -4.465 -8.674 -8.318 1.00 0.00 C ATOM 0 H LEU A 46 -6.627 -5.961 -5.031 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.779 -6.246 -7.720 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.634 -8.661 -6.360 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.968 -8.396 -8.060 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.007 -6.655 -7.899 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.279 -7.333 -6.280 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.756 -6.760 -5.468 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.414 -8.504 -5.566 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.412 -8.441 -8.480 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.552 -9.656 -7.854 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.987 -8.677 -9.275 1.00 0.00 H new ATOM 666 N LEU A 47 -9.727 -7.545 -6.757 1.00 0.00 N ATOM 667 CA LEU A 47 -10.962 -8.015 -6.139 1.00 0.00 C ATOM 668 C LEU A 47 -11.044 -9.538 -6.175 1.00 0.00 C ATOM 669 O LEU A 47 -11.537 -10.120 -7.141 1.00 0.00 O ATOM 670 CB LEU A 47 -12.174 -7.411 -6.850 1.00 0.00 C ATOM 671 CG LEU A 47 -13.524 -7.606 -6.159 1.00 0.00 C ATOM 672 CD1 LEU A 47 -13.387 -7.415 -4.657 1.00 0.00 C ATOM 673 CD2 LEU A 47 -14.558 -6.645 -6.729 1.00 0.00 C ATOM 0 H LEU A 47 -9.754 -7.506 -7.776 1.00 0.00 H new ATOM 0 HA LEU A 47 -10.962 -7.694 -5.097 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -12.002 -6.342 -6.973 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -12.235 -7.841 -7.850 1.00 0.00 H new ATOM 0 HG LEU A 47 -13.863 -8.625 -6.345 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -14.358 -7.558 -4.182 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -12.679 -8.143 -4.261 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -13.026 -6.408 -4.450 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -15.513 -6.798 -6.226 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -14.226 -5.619 -6.573 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.677 -6.830 -7.797 1.00 0.00 H new ATOM 685 N ASN A 48 -10.559 -10.177 -5.116 1.00 0.00 N ATOM 686 CA ASN A 48 -10.578 -11.633 -5.026 1.00 0.00 C ATOM 687 C ASN A 48 -10.369 -12.265 -6.398 1.00 0.00 C ATOM 688 O ASN A 48 -11.068 -13.205 -6.774 1.00 0.00 O ATOM 689 CB ASN A 48 -11.904 -12.110 -4.429 1.00 0.00 C ATOM 690 CG ASN A 48 -13.104 -11.589 -5.197 1.00 0.00 C ATOM 691 OD1 ASN A 48 -13.263 -11.868 -6.385 1.00 0.00 O ATOM 692 ND2 ASN A 48 -13.955 -10.828 -4.519 1.00 0.00 N ATOM 0 H ASN A 48 -10.148 -9.710 -4.308 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.761 -11.943 -4.374 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -11.925 -13.200 -4.422 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.970 -11.784 -3.391 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -14.781 -10.449 -4.982 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -13.783 -10.623 -3.535 1.00 0.00 H new ATOM 699 N GLY A 49 -9.399 -11.743 -7.143 1.00 0.00 N ATOM 700 CA GLY A 49 -9.113 -12.269 -8.465 1.00 0.00 C ATOM 701 C GLY A 49 -8.128 -11.408 -9.231 1.00 0.00 C ATOM 702 O GLY A 49 -6.940 -11.383 -8.913 1.00 0.00 O ATOM 0 H GLY A 49 -8.806 -10.965 -6.854 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.713 -13.279 -8.372 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -10.041 -12.345 -9.031 1.00 0.00 H new ATOM 706 N GLN A 50 -8.623 -10.703 -10.243 1.00 0.00 N ATOM 707 CA GLN A 50 -7.777 -9.840 -11.058 1.00 0.00 C ATOM 708 C GLN A 50 -7.688 -8.441 -10.458 1.00 0.00 C ATOM 709 O GLN A 50 -8.522 -8.032 -9.650 1.00 0.00 O ATOM 710 CB GLN A 50 -8.317 -9.761 -12.487 1.00 0.00 C ATOM 711 CG GLN A 50 -7.773 -10.845 -13.404 1.00 0.00 C ATOM 712 CD GLN A 50 -6.304 -10.653 -13.726 1.00 0.00 C ATOM 713 OE1 GLN A 50 -5.952 -9.963 -14.683 1.00 0.00 O ATOM 714 NE2 GLN A 50 -5.438 -11.264 -12.927 1.00 0.00 N ATOM 0 H GLN A 50 -9.605 -10.713 -10.518 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.776 -10.271 -11.079 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.404 -9.832 -12.460 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.071 -8.785 -12.906 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.914 -11.818 -12.934 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.346 -10.853 -14.331 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.774 -11.826 -12.145 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.436 -11.171 -13.095 1.00 0.00 H new ATOM 723 N PRO A 51 -6.653 -7.688 -10.860 1.00 0.00 N ATOM 724 CA PRO A 51 -6.431 -6.323 -10.374 1.00 0.00 C ATOM 725 C PRO A 51 -7.474 -5.344 -10.900 1.00 0.00 C ATOM 726 O PRO A 51 -7.790 -5.339 -12.090 1.00 0.00 O ATOM 727 CB PRO A 51 -5.045 -5.973 -10.921 1.00 0.00 C ATOM 728 CG PRO A 51 -4.883 -6.837 -12.124 1.00 0.00 C ATOM 729 CD PRO A 51 -5.620 -8.112 -11.820 1.00 0.00 C ATOM 0 HA PRO A 51 -6.504 -6.260 -9.288 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.977 -4.916 -11.180 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -4.267 -6.171 -10.184 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -5.291 -6.352 -13.011 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -3.830 -7.033 -12.325 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.060 -8.546 -12.718 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -4.959 -8.866 -11.392 1.00 0.00 H new ATOM 737 N ILE A 52 -8.005 -4.516 -10.006 1.00 0.00 N ATOM 738 CA ILE A 52 -9.012 -3.531 -10.382 1.00 0.00 C ATOM 739 C ILE A 52 -8.425 -2.470 -11.308 1.00 0.00 C ATOM 740 O ILE A 52 -7.485 -1.766 -10.942 1.00 0.00 O ATOM 741 CB ILE A 52 -9.613 -2.839 -9.144 1.00 0.00 C ATOM 742 CG1 ILE A 52 -10.065 -3.882 -8.120 1.00 0.00 C ATOM 743 CG2 ILE A 52 -10.777 -1.947 -9.548 1.00 0.00 C ATOM 744 CD1 ILE A 52 -10.483 -3.286 -6.794 1.00 0.00 C ATOM 0 H ILE A 52 -7.755 -4.508 -9.017 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.801 -4.071 -10.905 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.845 -2.215 -8.686 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -10.900 -4.448 -8.534 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -9.253 -4.589 -7.951 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -11.191 -1.465 -8.662 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -10.427 -1.186 -10.245 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -11.548 -2.550 -10.027 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -10.791 -4.083 -6.118 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -9.644 -2.744 -6.358 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -11.316 -2.600 -6.950 1.00 0.00 H new ATOM 756 N GLN A 53 -8.988 -2.363 -12.507 1.00 0.00 N ATOM 757 CA GLN A 53 -8.521 -1.387 -13.484 1.00 0.00 C ATOM 758 C GLN A 53 -9.003 0.015 -13.127 1.00 0.00 C ATOM 759 O GLN A 53 -8.234 0.976 -13.169 1.00 0.00 O ATOM 760 CB GLN A 53 -9.006 -1.764 -14.885 1.00 0.00 C ATOM 761 CG GLN A 53 -10.519 -1.860 -14.999 1.00 0.00 C ATOM 762 CD GLN A 53 -10.963 -2.699 -16.181 1.00 0.00 C ATOM 763 OE1 GLN A 53 -10.191 -3.496 -16.716 1.00 0.00 O ATOM 764 NE2 GLN A 53 -12.213 -2.526 -16.594 1.00 0.00 N ATOM 0 H GLN A 53 -9.767 -2.939 -12.825 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.431 -1.391 -13.471 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.642 -1.024 -15.598 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.567 -2.721 -15.167 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.922 -2.289 -14.082 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -10.937 -0.858 -15.092 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -12.818 -1.855 -16.121 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -12.568 -3.065 -17.384 1.00 0.00 H new ATOM 773 N TYR A 54 -10.279 0.125 -12.776 1.00 0.00 N ATOM 774 CA TYR A 54 -10.864 1.411 -12.414 1.00 0.00 C ATOM 775 C TYR A 54 -10.559 1.758 -10.961 1.00 0.00 C ATOM 776 O TYR A 54 -11.441 2.181 -10.214 1.00 0.00 O ATOM 777 CB TYR A 54 -12.377 1.387 -12.638 1.00 0.00 C ATOM 778 CG TYR A 54 -13.056 0.166 -12.059 1.00 0.00 C ATOM 779 CD1 TYR A 54 -13.208 -0.991 -12.812 1.00 0.00 C ATOM 780 CD2 TYR A 54 -13.544 0.171 -10.758 1.00 0.00 C ATOM 781 CE1 TYR A 54 -13.828 -2.108 -12.287 1.00 0.00 C ATOM 782 CE2 TYR A 54 -14.165 -0.943 -10.225 1.00 0.00 C ATOM 783 CZ TYR A 54 -14.304 -2.079 -10.993 1.00 0.00 C ATOM 784 OH TYR A 54 -14.921 -3.191 -10.466 1.00 0.00 O ATOM 0 H TYR A 54 -10.928 -0.660 -12.734 1.00 0.00 H new ATOM 0 HA TYR A 54 -10.421 2.176 -13.052 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -12.816 2.281 -12.194 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -12.578 1.431 -13.708 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -12.835 -1.018 -13.825 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -13.436 1.060 -10.154 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -13.939 -2.999 -12.887 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -14.539 -0.923 -9.212 1.00 0.00 H new ATOM 0 HH TYR A 54 -15.197 -3.006 -9.544 1.00 0.00 H new ATOM 794 N ALA A 55 -9.303 1.577 -10.567 1.00 0.00 N ATOM 795 CA ALA A 55 -8.879 1.874 -9.204 1.00 0.00 C ATOM 796 C ALA A 55 -7.989 3.112 -9.163 1.00 0.00 C ATOM 797 O ALA A 55 -6.822 3.062 -9.552 1.00 0.00 O ATOM 798 CB ALA A 55 -8.152 0.679 -8.606 1.00 0.00 C ATOM 0 H ALA A 55 -8.561 1.226 -11.172 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.769 2.079 -8.609 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.841 0.914 -7.588 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.819 -0.183 -8.591 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.274 0.448 -9.209 1.00 0.00 H new ATOM 804 N ARG A 56 -8.548 4.221 -8.690 1.00 0.00 N ATOM 805 CA ARG A 56 -7.805 5.472 -8.601 1.00 0.00 C ATOM 806 C ARG A 56 -6.983 5.525 -7.317 1.00 0.00 C ATOM 807 O ARG A 56 -6.898 6.566 -6.664 1.00 0.00 O ATOM 808 CB ARG A 56 -8.763 6.664 -8.655 1.00 0.00 C ATOM 809 CG ARG A 56 -9.367 6.897 -10.030 1.00 0.00 C ATOM 810 CD ARG A 56 -10.471 7.943 -9.983 1.00 0.00 C ATOM 811 NE ARG A 56 -9.943 9.285 -9.755 1.00 0.00 N ATOM 812 CZ ARG A 56 -10.702 10.375 -9.706 1.00 0.00 C ATOM 813 NH1 ARG A 56 -12.015 10.280 -9.869 1.00 0.00 N ATOM 814 NH2 ARG A 56 -10.148 11.561 -9.494 1.00 0.00 N ATOM 0 H ARG A 56 -9.512 4.279 -8.363 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.124 5.523 -9.451 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.567 6.506 -7.936 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.230 7.562 -8.345 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.588 7.219 -10.721 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.768 5.960 -10.416 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.026 7.926 -10.921 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.176 7.691 -9.191 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.937 9.392 -9.626 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -12.444 9.369 -10.032 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.596 11.118 -9.831 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.139 11.637 -9.368 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.731 12.397 -9.457 1.00 0.00 H new ATOM 828 N SER A 57 -6.378 4.396 -6.960 1.00 0.00 N ATOM 829 CA SER A 57 -5.566 4.313 -5.752 1.00 0.00 C ATOM 830 C SER A 57 -4.392 5.285 -5.818 1.00 0.00 C ATOM 831 O SER A 57 -3.818 5.512 -6.883 1.00 0.00 O ATOM 832 CB SER A 57 -5.051 2.886 -5.556 1.00 0.00 C ATOM 833 OG SER A 57 -4.098 2.547 -6.548 1.00 0.00 O ATOM 0 H SER A 57 -6.435 3.527 -7.490 1.00 0.00 H new ATOM 0 HA SER A 57 -6.193 4.586 -4.903 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.601 2.791 -4.568 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.886 2.186 -5.595 1.00 0.00 H new ATOM 0 HG SER A 57 -3.783 1.631 -6.400 1.00 0.00 H new ATOM 839 N THR A 58 -4.040 5.857 -4.671 1.00 0.00 N ATOM 840 CA THR A 58 -2.936 6.805 -4.597 1.00 0.00 C ATOM 841 C THR A 58 -2.166 6.653 -3.290 1.00 0.00 C ATOM 842 O THR A 58 -2.719 6.850 -2.207 1.00 0.00 O ATOM 843 CB THR A 58 -3.434 8.258 -4.720 1.00 0.00 C ATOM 844 OG1 THR A 58 -4.436 8.517 -3.731 1.00 0.00 O ATOM 845 CG2 THR A 58 -4.002 8.519 -6.106 1.00 0.00 C ATOM 0 H THR A 58 -4.504 5.680 -3.780 1.00 0.00 H new ATOM 0 HA THR A 58 -2.273 6.583 -5.433 1.00 0.00 H new ATOM 0 HB THR A 58 -2.587 8.925 -4.561 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.212 8.039 -2.905 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.347 9.551 -6.169 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.228 8.349 -6.854 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.839 7.845 -6.289 1.00 0.00 H new ATOM 853 N CYS A 59 -0.890 6.302 -3.398 1.00 0.00 N ATOM 854 CA CYS A 59 -0.044 6.123 -2.223 1.00 0.00 C ATOM 855 C CYS A 59 0.711 7.407 -1.896 1.00 0.00 C ATOM 856 O CYS A 59 1.572 7.843 -2.659 1.00 0.00 O ATOM 857 CB CYS A 59 0.946 4.979 -2.451 1.00 0.00 C ATOM 858 SG CYS A 59 2.304 4.929 -1.258 1.00 0.00 S ATOM 0 H CYS A 59 -0.418 6.136 -4.287 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.686 5.875 -1.378 1.00 0.00 H new ATOM 0 HB2 CYS A 59 0.407 4.033 -2.411 1.00 0.00 H new ATOM 0 HB3 CYS A 59 1.362 5.067 -3.455 1.00 0.00 H new ATOM 0 HG CYS A 59 3.086 3.927 -1.532 1.00 0.00 H new ATOM 864 N GLU A 60 0.380 8.008 -0.757 1.00 0.00 N ATOM 865 CA GLU A 60 1.026 9.244 -0.332 1.00 0.00 C ATOM 866 C GLU A 60 1.981 8.987 0.831 1.00 0.00 C ATOM 867 O GLU A 60 1.551 8.736 1.957 1.00 0.00 O ATOM 868 CB GLU A 60 -0.024 10.280 0.076 1.00 0.00 C ATOM 869 CG GLU A 60 -0.480 11.168 -1.070 1.00 0.00 C ATOM 870 CD GLU A 60 -1.729 11.959 -0.733 1.00 0.00 C ATOM 871 OE1 GLU A 60 -1.600 13.032 -0.107 1.00 0.00 O ATOM 872 OE2 GLU A 60 -2.835 11.506 -1.094 1.00 0.00 O ATOM 0 H GLU A 60 -0.330 7.660 -0.113 1.00 0.00 H new ATOM 0 HA GLU A 60 1.601 9.631 -1.173 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.890 9.764 0.491 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.384 10.906 0.869 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.323 11.857 -1.332 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.671 10.552 -1.949 1.00 0.00 H new ATOM 879 N ALA A 61 3.278 9.050 0.549 1.00 0.00 N ATOM 880 CA ALA A 61 4.293 8.826 1.570 1.00 0.00 C ATOM 881 C ALA A 61 4.166 7.431 2.174 1.00 0.00 C ATOM 882 O ALA A 61 4.335 7.248 3.379 1.00 0.00 O ATOM 883 CB ALA A 61 4.192 9.885 2.657 1.00 0.00 C ATOM 0 H ALA A 61 3.650 9.254 -0.378 1.00 0.00 H new ATOM 0 HA ALA A 61 5.272 8.901 1.096 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.956 9.705 3.413 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.341 10.872 2.219 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.206 9.839 3.120 1.00 0.00 H new ATOM 889 N GLY A 62 3.865 6.450 1.328 1.00 0.00 N ATOM 890 CA GLY A 62 3.719 5.085 1.798 1.00 0.00 C ATOM 891 C GLY A 62 2.308 4.779 2.261 1.00 0.00 C ATOM 892 O GLY A 62 2.013 3.659 2.679 1.00 0.00 O ATOM 0 H GLY A 62 3.720 6.576 0.326 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.993 4.397 0.998 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.414 4.911 2.620 1.00 0.00 H new ATOM 896 N VAL A 63 1.434 5.777 2.188 1.00 0.00 N ATOM 897 CA VAL A 63 0.046 5.610 2.604 1.00 0.00 C ATOM 898 C VAL A 63 -0.832 5.191 1.430 1.00 0.00 C ATOM 899 O VAL A 63 -1.396 6.033 0.733 1.00 0.00 O ATOM 900 CB VAL A 63 -0.517 6.906 3.216 1.00 0.00 C ATOM 901 CG1 VAL A 63 -1.953 6.701 3.673 1.00 0.00 C ATOM 902 CG2 VAL A 63 0.357 7.374 4.369 1.00 0.00 C ATOM 0 H VAL A 63 1.662 6.710 1.845 1.00 0.00 H new ATOM 0 HA VAL A 63 0.034 4.826 3.361 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.513 7.681 2.450 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.334 7.628 4.103 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.569 6.416 2.820 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.987 5.912 4.424 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.056 8.291 4.790 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.387 6.603 5.139 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.367 7.564 4.006 1.00 0.00 H new ATOM 912 N ALA A 64 -0.944 3.884 1.219 1.00 0.00 N ATOM 913 CA ALA A 64 -1.756 3.353 0.131 1.00 0.00 C ATOM 914 C ALA A 64 -3.243 3.500 0.434 1.00 0.00 C ATOM 915 O ALA A 64 -3.729 3.015 1.455 1.00 0.00 O ATOM 916 CB ALA A 64 -1.409 1.893 -0.122 1.00 0.00 C ATOM 0 H ALA A 64 -0.483 3.173 1.787 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.536 3.929 -0.768 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.023 1.509 -0.937 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.356 1.811 -0.391 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.599 1.312 0.780 1.00 0.00 H new ATOM 922 N GLU A 65 -3.960 4.174 -0.460 1.00 0.00 N ATOM 923 CA GLU A 65 -5.393 4.386 -0.286 1.00 0.00 C ATOM 924 C GLU A 65 -6.148 4.085 -1.578 1.00 0.00 C ATOM 925 O GLU A 65 -5.667 4.374 -2.674 1.00 0.00 O ATOM 926 CB GLU A 65 -5.668 5.825 0.154 1.00 0.00 C ATOM 927 CG GLU A 65 -4.695 6.337 1.203 1.00 0.00 C ATOM 928 CD GLU A 65 -5.210 7.566 1.927 1.00 0.00 C ATOM 929 OE1 GLU A 65 -6.308 7.489 2.518 1.00 0.00 O ATOM 930 OE2 GLU A 65 -4.517 8.605 1.901 1.00 0.00 O ATOM 0 H GLU A 65 -3.573 4.582 -1.311 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.744 3.703 0.488 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.625 6.477 -0.718 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.682 5.888 0.549 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.501 5.547 1.929 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.744 6.573 0.726 1.00 0.00 H new ATOM 937 N LEU A 66 -7.333 3.501 -1.440 1.00 0.00 N ATOM 938 CA LEU A 66 -8.156 3.160 -2.595 1.00 0.00 C ATOM 939 C LEU A 66 -9.536 3.802 -2.490 1.00 0.00 C ATOM 940 O LEU A 66 -10.433 3.268 -1.838 1.00 0.00 O ATOM 941 CB LEU A 66 -8.297 1.641 -2.715 1.00 0.00 C ATOM 942 CG LEU A 66 -9.285 1.139 -3.768 1.00 0.00 C ATOM 943 CD1 LEU A 66 -8.616 1.058 -5.132 1.00 0.00 C ATOM 944 CD2 LEU A 66 -9.849 -0.216 -3.367 1.00 0.00 C ATOM 0 H LEU A 66 -7.745 3.254 -0.540 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.663 3.546 -3.487 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.316 1.222 -2.938 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.600 1.247 -1.745 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.110 1.849 -3.832 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.334 0.699 -5.869 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.262 2.047 -5.423 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.772 0.370 -5.083 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.550 -0.558 -4.128 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.036 -0.936 -3.274 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.366 -0.127 -2.411 1.00 0.00 H new ATOM 956 N HIS A 67 -9.698 4.951 -3.139 1.00 0.00 N ATOM 957 CA HIS A 67 -10.970 5.666 -3.121 1.00 0.00 C ATOM 958 C HIS A 67 -12.038 4.894 -3.889 1.00 0.00 C ATOM 959 O HIS A 67 -11.883 4.621 -5.080 1.00 0.00 O ATOM 960 CB HIS A 67 -10.803 7.062 -3.720 1.00 0.00 C ATOM 961 CG HIS A 67 -9.795 7.906 -3.002 1.00 0.00 C ATOM 962 ND1 HIS A 67 -10.131 9.041 -2.295 1.00 0.00 N ATOM 963 CD2 HIS A 67 -8.453 7.773 -2.882 1.00 0.00 C ATOM 964 CE1 HIS A 67 -9.039 9.571 -1.773 1.00 0.00 C ATOM 965 NE2 HIS A 67 -8.007 8.821 -2.114 1.00 0.00 N ATOM 0 H HIS A 67 -8.965 5.407 -3.683 1.00 0.00 H new ATOM 0 HA HIS A 67 -11.291 5.760 -2.084 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -10.507 6.967 -4.765 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -11.766 7.572 -3.707 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.846 6.989 -3.310 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.997 10.466 -1.170 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -7.037 8.992 -1.850 1.00 0.00 H new ATOM 974 N ILE A 68 -13.119 4.545 -3.201 1.00 0.00 N ATOM 975 CA ILE A 68 -14.212 3.805 -3.820 1.00 0.00 C ATOM 976 C ILE A 68 -15.537 4.542 -3.656 1.00 0.00 C ATOM 977 O ILE A 68 -16.209 4.411 -2.633 1.00 0.00 O ATOM 978 CB ILE A 68 -14.346 2.393 -3.221 1.00 0.00 C ATOM 979 CG1 ILE A 68 -13.059 1.596 -3.446 1.00 0.00 C ATOM 980 CG2 ILE A 68 -15.537 1.669 -3.831 1.00 0.00 C ATOM 981 CD1 ILE A 68 -12.706 1.418 -4.906 1.00 0.00 C ATOM 0 H ILE A 68 -13.262 4.763 -2.215 1.00 0.00 H new ATOM 0 HA ILE A 68 -13.975 3.720 -4.880 1.00 0.00 H new ATOM 0 HB ILE A 68 -14.512 2.484 -2.148 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -12.236 2.101 -2.940 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -13.163 0.615 -2.984 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -15.618 0.672 -3.397 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -16.449 2.230 -3.625 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -15.399 1.585 -4.909 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -11.783 0.844 -4.990 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -13.511 0.886 -5.413 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.569 2.395 -5.369 1.00 0.00 H new ATOM 993 N GLN A 69 -15.908 5.315 -4.671 1.00 0.00 N ATOM 994 CA GLN A 69 -17.153 6.072 -4.639 1.00 0.00 C ATOM 995 C GLN A 69 -18.314 5.233 -5.163 1.00 0.00 C ATOM 996 O GLN A 69 -18.108 4.210 -5.816 1.00 0.00 O ATOM 997 CB GLN A 69 -17.019 7.351 -5.468 1.00 0.00 C ATOM 998 CG GLN A 69 -16.924 7.099 -6.964 1.00 0.00 C ATOM 999 CD GLN A 69 -16.372 8.290 -7.723 1.00 0.00 C ATOM 1000 OE1 GLN A 69 -17.102 9.228 -8.045 1.00 0.00 O ATOM 1001 NE2 GLN A 69 -15.077 8.259 -8.012 1.00 0.00 N ATOM 0 H GLN A 69 -15.364 5.433 -5.526 1.00 0.00 H new ATOM 0 HA GLN A 69 -17.359 6.339 -3.603 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -17.877 7.994 -5.270 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -16.132 7.894 -5.142 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -16.288 6.232 -7.143 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -17.913 6.853 -7.351 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -14.509 7.461 -7.726 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -14.649 9.033 -8.520 1.00 0.00 H new ATOM 1010 N ASP A 70 -19.534 5.671 -4.871 1.00 0.00 N ATOM 1011 CA ASP A 70 -20.728 4.960 -5.313 1.00 0.00 C ATOM 1012 C ASP A 70 -20.635 3.477 -4.970 1.00 0.00 C ATOM 1013 O ASP A 70 -20.857 2.617 -5.822 1.00 0.00 O ATOM 1014 CB ASP A 70 -20.924 5.137 -6.820 1.00 0.00 C ATOM 1015 CG ASP A 70 -21.689 6.400 -7.160 1.00 0.00 C ATOM 1016 OD1 ASP A 70 -21.608 7.372 -6.378 1.00 0.00 O ATOM 1017 OD2 ASP A 70 -22.368 6.419 -8.207 1.00 0.00 O ATOM 0 H ASP A 70 -19.722 6.515 -4.330 1.00 0.00 H new ATOM 0 HA ASP A 70 -21.587 5.382 -4.791 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -19.950 5.163 -7.309 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -21.458 4.274 -7.218 1.00 0.00 H new ATOM 1022 N ALA A 71 -20.305 3.184 -3.716 1.00 0.00 N ATOM 1023 CA ALA A 71 -20.183 1.805 -3.260 1.00 0.00 C ATOM 1024 C ALA A 71 -21.425 0.997 -3.620 1.00 0.00 C ATOM 1025 O ALA A 71 -22.454 1.087 -2.948 1.00 0.00 O ATOM 1026 CB ALA A 71 -19.942 1.765 -1.758 1.00 0.00 C ATOM 0 H ALA A 71 -20.117 3.884 -2.998 1.00 0.00 H new ATOM 0 HA ALA A 71 -19.329 1.355 -3.766 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -19.853 0.729 -1.431 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -19.022 2.300 -1.523 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -20.778 2.237 -1.243 1.00 0.00 H new ATOM 1032 N LEU A 72 -21.324 0.207 -4.684 1.00 0.00 N ATOM 1033 CA LEU A 72 -22.440 -0.617 -5.134 1.00 0.00 C ATOM 1034 C LEU A 72 -22.421 -1.980 -4.448 1.00 0.00 C ATOM 1035 O LEU A 72 -21.377 -2.473 -4.021 1.00 0.00 O ATOM 1036 CB LEU A 72 -22.388 -0.796 -6.652 1.00 0.00 C ATOM 1037 CG LEU A 72 -22.877 0.389 -7.485 1.00 0.00 C ATOM 1038 CD1 LEU A 72 -22.450 0.234 -8.936 1.00 0.00 C ATOM 1039 CD2 LEU A 72 -24.390 0.522 -7.384 1.00 0.00 C ATOM 0 H LEU A 72 -20.480 0.120 -5.251 1.00 0.00 H new ATOM 0 HA LEU A 72 -23.366 -0.109 -4.866 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -21.359 -1.014 -6.937 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -22.984 -1.670 -6.915 1.00 0.00 H new ATOM 0 HG LEU A 72 -22.424 1.298 -7.090 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -22.807 1.087 -9.513 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -21.362 0.187 -8.992 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -22.874 -0.684 -9.344 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -24.721 1.370 -7.983 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -24.861 -0.389 -7.753 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -24.673 0.680 -6.343 1.00 0.00 H new ATOM 1051 N PRO A 73 -23.603 -2.605 -4.342 1.00 0.00 N ATOM 1052 CA PRO A 73 -23.748 -3.921 -3.713 1.00 0.00 C ATOM 1053 C PRO A 73 -23.123 -5.035 -4.545 1.00 0.00 C ATOM 1054 O PRO A 73 -23.028 -6.177 -4.098 1.00 0.00 O ATOM 1055 CB PRO A 73 -25.265 -4.107 -3.625 1.00 0.00 C ATOM 1056 CG PRO A 73 -25.815 -3.256 -4.717 1.00 0.00 C ATOM 1057 CD PRO A 73 -24.888 -2.077 -4.830 1.00 0.00 C ATOM 0 HA PRO A 73 -23.242 -3.969 -2.749 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -25.544 -5.152 -3.759 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -25.646 -3.797 -2.652 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -25.861 -3.808 -5.656 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -26.830 -2.933 -4.487 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -24.812 -1.722 -5.858 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -25.232 -1.236 -4.227 1.00 0.00 H new ATOM 1065 N GLU A 74 -22.697 -4.693 -5.757 1.00 0.00 N ATOM 1066 CA GLU A 74 -22.080 -5.666 -6.652 1.00 0.00 C ATOM 1067 C GLU A 74 -20.562 -5.512 -6.660 1.00 0.00 C ATOM 1068 O GLU A 74 -19.865 -6.169 -7.433 1.00 0.00 O ATOM 1069 CB GLU A 74 -22.627 -5.505 -8.072 1.00 0.00 C ATOM 1070 CG GLU A 74 -22.475 -4.099 -8.627 1.00 0.00 C ATOM 1071 CD GLU A 74 -22.415 -4.074 -10.142 1.00 0.00 C ATOM 1072 OE1 GLU A 74 -21.803 -4.993 -10.726 1.00 0.00 O ATOM 1073 OE2 GLU A 74 -22.978 -3.136 -10.743 1.00 0.00 O ATOM 0 H GLU A 74 -22.768 -3.751 -6.142 1.00 0.00 H new ATOM 0 HA GLU A 74 -22.325 -6.663 -6.287 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -22.113 -6.204 -8.732 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -23.682 -5.777 -8.079 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -23.312 -3.487 -8.290 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -21.568 -3.649 -8.224 1.00 0.00 H new ATOM 1080 N ASP A 75 -20.057 -4.640 -5.794 1.00 0.00 N ATOM 1081 CA ASP A 75 -18.622 -4.399 -5.700 1.00 0.00 C ATOM 1082 C ASP A 75 -18.040 -5.060 -4.455 1.00 0.00 C ATOM 1083 O ASP A 75 -16.876 -5.460 -4.437 1.00 0.00 O ATOM 1084 CB ASP A 75 -18.336 -2.897 -5.677 1.00 0.00 C ATOM 1085 CG ASP A 75 -18.424 -2.269 -7.054 1.00 0.00 C ATOM 1086 OD1 ASP A 75 -18.105 -2.961 -8.043 1.00 0.00 O ATOM 1087 OD2 ASP A 75 -18.811 -1.085 -7.142 1.00 0.00 O ATOM 0 H ASP A 75 -20.620 -4.088 -5.147 1.00 0.00 H new ATOM 0 HA ASP A 75 -18.147 -4.838 -6.577 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -19.045 -2.405 -5.011 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -17.341 -2.726 -5.266 1.00 0.00 H new ATOM 1092 N HIS A 76 -18.859 -5.171 -3.413 1.00 0.00 N ATOM 1093 CA HIS A 76 -18.425 -5.783 -2.162 1.00 0.00 C ATOM 1094 C HIS A 76 -17.665 -7.079 -2.426 1.00 0.00 C ATOM 1095 O HIS A 76 -18.027 -7.853 -3.311 1.00 0.00 O ATOM 1096 CB HIS A 76 -19.629 -6.059 -1.260 1.00 0.00 C ATOM 1097 CG HIS A 76 -20.241 -7.409 -1.475 1.00 0.00 C ATOM 1098 ND1 HIS A 76 -20.591 -7.888 -2.719 1.00 0.00 N ATOM 1099 CD2 HIS A 76 -20.563 -8.384 -0.593 1.00 0.00 C ATOM 1100 CE1 HIS A 76 -21.103 -9.099 -2.594 1.00 0.00 C ATOM 1101 NE2 HIS A 76 -21.097 -9.424 -1.314 1.00 0.00 N ATOM 0 H HIS A 76 -19.826 -4.845 -3.410 1.00 0.00 H new ATOM 0 HA HIS A 76 -17.755 -5.086 -1.658 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -19.320 -5.971 -0.218 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -20.386 -5.294 -1.434 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -20.426 -8.350 0.478 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -21.465 -9.718 -3.401 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -21.434 -10.304 -0.924 1.00 0.00 H new ATOM 1110 N GLY A 77 -16.608 -7.308 -1.653 1.00 0.00 N ATOM 1111 CA GLY A 77 -15.814 -8.511 -1.820 1.00 0.00 C ATOM 1112 C GLY A 77 -14.610 -8.543 -0.898 1.00 0.00 C ATOM 1113 O GLY A 77 -14.714 -8.216 0.284 1.00 0.00 O ATOM 0 H GLY A 77 -16.287 -6.682 -0.914 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -16.438 -9.384 -1.629 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -15.478 -8.580 -2.855 1.00 0.00 H new ATOM 1117 N THR A 78 -13.463 -8.941 -1.440 1.00 0.00 N ATOM 1118 CA THR A 78 -12.235 -9.018 -0.658 1.00 0.00 C ATOM 1119 C THR A 78 -11.083 -8.321 -1.373 1.00 0.00 C ATOM 1120 O THR A 78 -10.525 -8.851 -2.334 1.00 0.00 O ATOM 1121 CB THR A 78 -11.840 -10.480 -0.376 1.00 0.00 C ATOM 1122 OG1 THR A 78 -12.975 -11.210 0.102 1.00 0.00 O ATOM 1123 CG2 THR A 78 -10.718 -10.548 0.649 1.00 0.00 C ATOM 0 H THR A 78 -13.359 -9.215 -2.417 1.00 0.00 H new ATOM 0 HA THR A 78 -12.430 -8.513 0.288 1.00 0.00 H new ATOM 0 HB THR A 78 -11.488 -10.925 -1.307 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.716 -12.139 0.277 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.456 -11.590 0.833 1.00 0.00 H new ATOM 0 HG22 THR A 78 -9.846 -10.015 0.270 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.048 -10.087 1.580 1.00 0.00 H new ATOM 1131 N TYR A 79 -10.732 -7.131 -0.899 1.00 0.00 N ATOM 1132 CA TYR A 79 -9.647 -6.361 -1.495 1.00 0.00 C ATOM 1133 C TYR A 79 -8.289 -6.919 -1.078 1.00 0.00 C ATOM 1134 O TYR A 79 -8.071 -7.248 0.088 1.00 0.00 O ATOM 1135 CB TYR A 79 -9.753 -4.891 -1.086 1.00 0.00 C ATOM 1136 CG TYR A 79 -10.901 -4.161 -1.746 1.00 0.00 C ATOM 1137 CD1 TYR A 79 -10.732 -3.519 -2.967 1.00 0.00 C ATOM 1138 CD2 TYR A 79 -12.154 -4.111 -1.148 1.00 0.00 C ATOM 1139 CE1 TYR A 79 -11.778 -2.850 -3.572 1.00 0.00 C ATOM 1140 CE2 TYR A 79 -13.206 -3.446 -1.747 1.00 0.00 C ATOM 1141 CZ TYR A 79 -13.013 -2.817 -2.959 1.00 0.00 C ATOM 1142 OH TYR A 79 -14.058 -2.152 -3.558 1.00 0.00 O ATOM 0 H TYR A 79 -11.183 -6.679 -0.104 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.734 -6.438 -2.579 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -9.869 -4.831 -0.004 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -8.820 -4.385 -1.335 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -9.767 -3.544 -3.451 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -12.308 -4.601 -0.198 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -11.630 -2.355 -4.520 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -14.174 -3.419 -1.269 1.00 0.00 H new ATOM 0 HH TYR A 79 -14.901 -2.417 -3.134 1.00 0.00 H new ATOM 1152 N THR A 80 -7.379 -7.023 -2.041 1.00 0.00 N ATOM 1153 CA THR A 80 -6.042 -7.542 -1.777 1.00 0.00 C ATOM 1154 C THR A 80 -4.971 -6.547 -2.210 1.00 0.00 C ATOM 1155 O THR A 80 -4.778 -6.309 -3.402 1.00 0.00 O ATOM 1156 CB THR A 80 -5.806 -8.881 -2.500 1.00 0.00 C ATOM 1157 OG1 THR A 80 -6.685 -9.883 -1.976 1.00 0.00 O ATOM 1158 CG2 THR A 80 -4.362 -9.333 -2.344 1.00 0.00 C ATOM 0 H THR A 80 -7.543 -6.755 -3.011 1.00 0.00 H new ATOM 0 HA THR A 80 -5.972 -7.702 -0.701 1.00 0.00 H new ATOM 0 HB THR A 80 -6.012 -8.737 -3.561 1.00 0.00 H new ATOM 0 HG1 THR A 80 -6.530 -10.731 -2.442 1.00 0.00 H new ATOM 0 HG21 THR A 80 -4.219 -10.281 -2.863 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.697 -8.582 -2.771 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.133 -9.461 -1.286 1.00 0.00 H new ATOM 1166 N CYS A 81 -4.277 -5.971 -1.235 1.00 0.00 N ATOM 1167 CA CYS A 81 -3.224 -5.002 -1.516 1.00 0.00 C ATOM 1168 C CYS A 81 -1.875 -5.695 -1.673 1.00 0.00 C ATOM 1169 O CYS A 81 -1.246 -6.084 -0.688 1.00 0.00 O ATOM 1170 CB CYS A 81 -3.149 -3.961 -0.398 1.00 0.00 C ATOM 1171 SG CYS A 81 -2.075 -2.555 -0.769 1.00 0.00 S ATOM 0 H CYS A 81 -4.424 -6.158 -0.243 1.00 0.00 H new ATOM 0 HA CYS A 81 -3.466 -4.501 -2.453 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -4.154 -3.592 -0.192 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -2.794 -4.445 0.512 1.00 0.00 H new ATOM 0 HG CYS A 81 -2.801 -1.497 -0.975 1.00 0.00 H new ATOM 1177 N LEU A 82 -1.436 -5.848 -2.917 1.00 0.00 N ATOM 1178 CA LEU A 82 -0.161 -6.496 -3.205 1.00 0.00 C ATOM 1179 C LEU A 82 0.973 -5.477 -3.238 1.00 0.00 C ATOM 1180 O LEU A 82 0.830 -4.392 -3.802 1.00 0.00 O ATOM 1181 CB LEU A 82 -0.233 -7.238 -4.540 1.00 0.00 C ATOM 1182 CG LEU A 82 1.099 -7.729 -5.109 1.00 0.00 C ATOM 1183 CD1 LEU A 82 1.789 -8.661 -4.125 1.00 0.00 C ATOM 1184 CD2 LEU A 82 0.884 -8.424 -6.445 1.00 0.00 C ATOM 0 H LEU A 82 -1.944 -5.532 -3.743 1.00 0.00 H new ATOM 0 HA LEU A 82 0.042 -7.212 -2.409 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.892 -8.097 -4.420 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.698 -6.580 -5.274 1.00 0.00 H new ATOM 0 HG LEU A 82 1.744 -6.865 -5.271 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.735 -9.000 -4.547 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.978 -8.130 -3.192 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.150 -9.522 -3.930 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.842 -8.767 -6.835 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.221 -9.279 -6.308 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.434 -7.725 -7.150 1.00 0.00 H new ATOM 1196 N ALA A 83 2.100 -5.833 -2.631 1.00 0.00 N ATOM 1197 CA ALA A 83 3.260 -4.952 -2.594 1.00 0.00 C ATOM 1198 C ALA A 83 4.558 -5.748 -2.672 1.00 0.00 C ATOM 1199 O ALA A 83 4.928 -6.442 -1.726 1.00 0.00 O ATOM 1200 CB ALA A 83 3.237 -4.100 -1.334 1.00 0.00 C ATOM 0 H ALA A 83 2.234 -6.727 -2.158 1.00 0.00 H new ATOM 0 HA ALA A 83 3.214 -4.297 -3.464 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.110 -3.447 -1.320 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.331 -3.495 -1.321 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.254 -4.747 -0.457 1.00 0.00 H new ATOM 1206 N GLU A 84 5.245 -5.644 -3.806 1.00 0.00 N ATOM 1207 CA GLU A 84 6.501 -6.357 -4.007 1.00 0.00 C ATOM 1208 C GLU A 84 7.558 -5.437 -4.610 1.00 0.00 C ATOM 1209 O GLU A 84 7.249 -4.568 -5.425 1.00 0.00 O ATOM 1210 CB GLU A 84 6.285 -7.569 -4.915 1.00 0.00 C ATOM 1211 CG GLU A 84 5.962 -7.202 -6.353 1.00 0.00 C ATOM 1212 CD GLU A 84 5.966 -8.404 -7.277 1.00 0.00 C ATOM 1213 OE1 GLU A 84 6.979 -9.134 -7.298 1.00 0.00 O ATOM 1214 OE2 GLU A 84 4.956 -8.615 -7.980 1.00 0.00 O ATOM 0 H GLU A 84 4.953 -5.073 -4.599 1.00 0.00 H new ATOM 0 HA GLU A 84 6.855 -6.699 -3.035 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.182 -8.188 -4.900 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.473 -8.174 -4.512 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.984 -6.723 -6.391 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.689 -6.472 -6.710 1.00 0.00 H new ATOM 1221 N ASN A 85 8.808 -5.634 -4.203 1.00 0.00 N ATOM 1222 CA ASN A 85 9.912 -4.822 -4.702 1.00 0.00 C ATOM 1223 C ASN A 85 11.041 -5.703 -5.227 1.00 0.00 C ATOM 1224 O ASN A 85 10.912 -6.925 -5.287 1.00 0.00 O ATOM 1225 CB ASN A 85 10.437 -3.904 -3.596 1.00 0.00 C ATOM 1226 CG ASN A 85 11.060 -4.678 -2.450 1.00 0.00 C ATOM 1227 OD1 ASN A 85 11.270 -5.887 -2.544 1.00 0.00 O ATOM 1228 ND2 ASN A 85 11.359 -3.981 -1.360 1.00 0.00 N ATOM 0 H ASN A 85 9.082 -6.349 -3.529 1.00 0.00 H new ATOM 0 HA ASN A 85 9.539 -4.212 -5.525 1.00 0.00 H new ATOM 0 HB2 ASN A 85 11.177 -3.221 -4.015 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.619 -3.293 -3.216 1.00 0.00 H new ATOM 0 HD21 ASN A 85 11.781 -4.447 -0.556 1.00 0.00 H new ATOM 0 HD22 ASN A 85 11.167 -2.980 -1.326 1.00 0.00 H new ATOM 1235 N ALA A 86 12.148 -5.073 -5.605 1.00 0.00 N ATOM 1236 CA ALA A 86 13.302 -5.799 -6.122 1.00 0.00 C ATOM 1237 C ALA A 86 13.949 -6.649 -5.034 1.00 0.00 C ATOM 1238 O ALA A 86 14.909 -7.377 -5.289 1.00 0.00 O ATOM 1239 CB ALA A 86 14.316 -4.829 -6.710 1.00 0.00 C ATOM 0 H ALA A 86 12.270 -4.061 -5.563 1.00 0.00 H new ATOM 0 HA ALA A 86 12.956 -6.467 -6.910 1.00 0.00 H new ATOM 0 HB1 ALA A 86 15.172 -5.385 -7.092 1.00 0.00 H new ATOM 0 HB2 ALA A 86 13.855 -4.269 -7.523 1.00 0.00 H new ATOM 0 HB3 ALA A 86 14.649 -4.137 -5.936 1.00 0.00 H new ATOM 1245 N LEU A 87 13.418 -6.551 -3.820 1.00 0.00 N ATOM 1246 CA LEU A 87 13.945 -7.311 -2.691 1.00 0.00 C ATOM 1247 C LEU A 87 13.025 -8.477 -2.344 1.00 0.00 C ATOM 1248 O LEU A 87 13.319 -9.629 -2.664 1.00 0.00 O ATOM 1249 CB LEU A 87 14.115 -6.401 -1.474 1.00 0.00 C ATOM 1250 CG LEU A 87 15.472 -5.709 -1.337 1.00 0.00 C ATOM 1251 CD1 LEU A 87 15.498 -4.421 -2.145 1.00 0.00 C ATOM 1252 CD2 LEU A 87 15.783 -5.430 0.126 1.00 0.00 C ATOM 0 H LEU A 87 12.624 -5.953 -3.592 1.00 0.00 H new ATOM 0 HA LEU A 87 14.918 -7.712 -2.976 1.00 0.00 H new ATOM 0 HB2 LEU A 87 13.341 -5.635 -1.508 1.00 0.00 H new ATOM 0 HB3 LEU A 87 13.939 -6.993 -0.576 1.00 0.00 H new ATOM 0 HG LEU A 87 16.240 -6.375 -1.730 1.00 0.00 H new ATOM 0 HD11 LEU A 87 16.471 -3.942 -2.036 1.00 0.00 H new ATOM 0 HD12 LEU A 87 15.321 -4.647 -3.196 1.00 0.00 H new ATOM 0 HD13 LEU A 87 14.720 -3.749 -1.783 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.752 -4.937 0.204 1.00 0.00 H new ATOM 0 HD22 LEU A 87 15.012 -4.783 0.545 1.00 0.00 H new ATOM 0 HD23 LEU A 87 15.808 -6.369 0.678 1.00 0.00 H new ATOM 1264 N GLY A 88 11.910 -8.171 -1.688 1.00 0.00 N ATOM 1265 CA GLY A 88 10.964 -9.204 -1.310 1.00 0.00 C ATOM 1266 C GLY A 88 9.587 -8.974 -1.902 1.00 0.00 C ATOM 1267 O GLY A 88 9.443 -8.257 -2.891 1.00 0.00 O ATOM 0 H GLY A 88 11.645 -7.226 -1.412 1.00 0.00 H new ATOM 0 HA2 GLY A 88 11.339 -10.174 -1.637 1.00 0.00 H new ATOM 0 HA3 GLY A 88 10.887 -9.242 -0.223 1.00 0.00 H new ATOM 1271 N GLN A 89 8.575 -9.586 -1.296 1.00 0.00 N ATOM 1272 CA GLN A 89 7.204 -9.446 -1.771 1.00 0.00 C ATOM 1273 C GLN A 89 6.208 -9.824 -0.680 1.00 0.00 C ATOM 1274 O GLN A 89 6.393 -10.813 0.029 1.00 0.00 O ATOM 1275 CB GLN A 89 6.978 -10.318 -3.008 1.00 0.00 C ATOM 1276 CG GLN A 89 7.155 -11.805 -2.744 1.00 0.00 C ATOM 1277 CD GLN A 89 6.451 -12.668 -3.773 1.00 0.00 C ATOM 1278 OE1 GLN A 89 7.087 -13.432 -4.499 1.00 0.00 O ATOM 1279 NE2 GLN A 89 5.130 -12.550 -3.840 1.00 0.00 N ATOM 0 H GLN A 89 8.679 -10.183 -0.476 1.00 0.00 H new ATOM 0 HA GLN A 89 7.044 -8.401 -2.037 1.00 0.00 H new ATOM 0 HB2 GLN A 89 5.971 -10.142 -3.388 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.672 -10.011 -3.791 1.00 0.00 H new ATOM 0 HG2 GLN A 89 8.218 -12.045 -2.740 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.771 -12.042 -1.752 1.00 0.00 H new ATOM 0 HE21 GLN A 89 4.644 -11.904 -3.218 1.00 0.00 H new ATOM 0 HE22 GLN A 89 4.602 -13.105 -4.513 1.00 0.00 H new ATOM 1288 N VAL A 90 5.150 -9.029 -0.550 1.00 0.00 N ATOM 1289 CA VAL A 90 4.124 -9.280 0.455 1.00 0.00 C ATOM 1290 C VAL A 90 2.740 -8.916 -0.070 1.00 0.00 C ATOM 1291 O VAL A 90 2.595 -8.014 -0.895 1.00 0.00 O ATOM 1292 CB VAL A 90 4.397 -8.487 1.747 1.00 0.00 C ATOM 1293 CG1 VAL A 90 5.715 -8.918 2.371 1.00 0.00 C ATOM 1294 CG2 VAL A 90 4.396 -6.992 1.463 1.00 0.00 C ATOM 0 H VAL A 90 4.981 -8.206 -1.128 1.00 0.00 H new ATOM 0 HA VAL A 90 4.155 -10.346 0.680 1.00 0.00 H new ATOM 0 HB VAL A 90 3.600 -8.700 2.459 1.00 0.00 H new ATOM 0 HG11 VAL A 90 5.890 -8.347 3.282 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.674 -9.980 2.611 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.527 -8.736 1.667 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.590 -6.446 2.386 1.00 0.00 H new ATOM 0 HG22 VAL A 90 5.172 -6.760 0.734 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.425 -6.698 1.065 1.00 0.00 H new ATOM 1304 N SER A 91 1.724 -9.623 0.415 1.00 0.00 N ATOM 1305 CA SER A 91 0.351 -9.376 -0.007 1.00 0.00 C ATOM 1306 C SER A 91 -0.623 -9.616 1.143 1.00 0.00 C ATOM 1307 O SER A 91 -0.534 -10.622 1.847 1.00 0.00 O ATOM 1308 CB SER A 91 -0.010 -10.275 -1.192 1.00 0.00 C ATOM 1309 OG SER A 91 0.099 -11.644 -0.844 1.00 0.00 O ATOM 0 H SER A 91 1.826 -10.371 1.101 1.00 0.00 H new ATOM 0 HA SER A 91 0.273 -8.333 -0.314 1.00 0.00 H new ATOM 0 HB2 SER A 91 -1.027 -10.060 -1.520 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.649 -10.056 -2.032 1.00 0.00 H new ATOM 0 HG SER A 91 -0.138 -12.198 -1.617 1.00 0.00 H new ATOM 1315 N CYS A 92 -1.552 -8.684 1.327 1.00 0.00 N ATOM 1316 CA CYS A 92 -2.543 -8.792 2.392 1.00 0.00 C ATOM 1317 C CYS A 92 -3.956 -8.813 1.819 1.00 0.00 C ATOM 1318 O CYS A 92 -4.170 -8.476 0.655 1.00 0.00 O ATOM 1319 CB CYS A 92 -2.394 -7.630 3.375 1.00 0.00 C ATOM 1320 SG CYS A 92 -0.913 -7.721 4.407 1.00 0.00 S ATOM 0 H CYS A 92 -1.640 -7.846 0.753 1.00 0.00 H new ATOM 0 HA CYS A 92 -2.372 -9.729 2.921 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -2.377 -6.695 2.815 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -3.272 -7.599 4.020 1.00 0.00 H new ATOM 0 HG CYS A 92 0.024 -6.985 3.887 1.00 0.00 H new ATOM 1326 N SER A 93 -4.918 -9.212 2.646 1.00 0.00 N ATOM 1327 CA SER A 93 -6.311 -9.282 2.220 1.00 0.00 C ATOM 1328 C SER A 93 -7.232 -8.680 3.276 1.00 0.00 C ATOM 1329 O SER A 93 -6.875 -8.592 4.450 1.00 0.00 O ATOM 1330 CB SER A 93 -6.710 -10.733 1.946 1.00 0.00 C ATOM 1331 OG SER A 93 -6.501 -11.544 3.089 1.00 0.00 O ATOM 0 H SER A 93 -4.758 -9.491 3.614 1.00 0.00 H new ATOM 0 HA SER A 93 -6.414 -8.705 1.301 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.759 -10.776 1.653 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.129 -11.121 1.109 1.00 0.00 H new ATOM 0 HG SER A 93 -6.765 -12.466 2.889 1.00 0.00 H new ATOM 1337 N ALA A 94 -8.421 -8.267 2.849 1.00 0.00 N ATOM 1338 CA ALA A 94 -9.396 -7.676 3.757 1.00 0.00 C ATOM 1339 C ALA A 94 -10.820 -7.939 3.281 1.00 0.00 C ATOM 1340 O ALA A 94 -11.052 -8.194 2.099 1.00 0.00 O ATOM 1341 CB ALA A 94 -9.151 -6.180 3.893 1.00 0.00 C ATOM 0 H ALA A 94 -8.732 -8.331 1.880 1.00 0.00 H new ATOM 0 HA ALA A 94 -9.276 -8.144 4.734 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -9.886 -5.751 4.574 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.149 -6.010 4.287 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -9.242 -5.706 2.916 1.00 0.00 H new ATOM 1347 N TRP A 95 -11.770 -7.876 4.207 1.00 0.00 N ATOM 1348 CA TRP A 95 -13.172 -8.108 3.881 1.00 0.00 C ATOM 1349 C TRP A 95 -13.985 -6.826 4.028 1.00 0.00 C ATOM 1350 O TRP A 95 -13.870 -6.118 5.028 1.00 0.00 O ATOM 1351 CB TRP A 95 -13.752 -9.200 4.781 1.00 0.00 C ATOM 1352 CG TRP A 95 -15.212 -9.449 4.548 1.00 0.00 C ATOM 1353 CD1 TRP A 95 -16.255 -8.700 5.012 1.00 0.00 C ATOM 1354 CD2 TRP A 95 -15.789 -10.521 3.795 1.00 0.00 C ATOM 1355 NE1 TRP A 95 -17.446 -9.242 4.593 1.00 0.00 N ATOM 1356 CE2 TRP A 95 -17.188 -10.360 3.844 1.00 0.00 C ATOM 1357 CE3 TRP A 95 -15.261 -11.601 3.082 1.00 0.00 C ATOM 1358 CZ2 TRP A 95 -18.061 -11.238 3.209 1.00 0.00 C ATOM 1359 CZ3 TRP A 95 -16.129 -12.472 2.452 1.00 0.00 C ATOM 1360 CH2 TRP A 95 -17.517 -12.286 2.518 1.00 0.00 C ATOM 0 H TRP A 95 -11.595 -7.666 5.190 1.00 0.00 H new ATOM 0 HA TRP A 95 -13.228 -8.435 2.843 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -13.202 -10.127 4.616 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -13.600 -8.920 5.823 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -16.158 -7.812 5.619 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -18.373 -8.872 4.805 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -14.193 -11.752 3.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -19.131 -11.097 3.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -15.731 -13.310 1.899 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -18.169 -12.983 2.014 1.00 0.00 H new ATOM 1371 N VAL A 96 -14.807 -6.533 3.025 1.00 0.00 N ATOM 1372 CA VAL A 96 -15.640 -5.337 3.044 1.00 0.00 C ATOM 1373 C VAL A 96 -17.103 -5.682 2.787 1.00 0.00 C ATOM 1374 O VAL A 96 -17.414 -6.551 1.971 1.00 0.00 O ATOM 1375 CB VAL A 96 -15.174 -4.311 1.994 1.00 0.00 C ATOM 1376 CG1 VAL A 96 -16.135 -3.134 1.934 1.00 0.00 C ATOM 1377 CG2 VAL A 96 -13.760 -3.840 2.302 1.00 0.00 C ATOM 0 H VAL A 96 -14.914 -7.108 2.189 1.00 0.00 H new ATOM 0 HA VAL A 96 -15.542 -4.899 4.037 1.00 0.00 H new ATOM 0 HB VAL A 96 -15.168 -4.794 1.017 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -15.789 -2.420 1.187 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -17.129 -3.490 1.664 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -16.176 -2.648 2.909 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -13.446 -3.116 1.551 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.738 -3.374 3.287 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -13.082 -4.693 2.289 1.00 0.00 H new ATOM 1387 N THR A 97 -18.000 -4.994 3.487 1.00 0.00 N ATOM 1388 CA THR A 97 -19.430 -5.227 3.335 1.00 0.00 C ATOM 1389 C THR A 97 -20.165 -3.936 2.993 1.00 0.00 C ATOM 1390 O THR A 97 -19.822 -2.864 3.492 1.00 0.00 O ATOM 1391 CB THR A 97 -20.041 -5.828 4.616 1.00 0.00 C ATOM 1392 OG1 THR A 97 -19.236 -6.918 5.077 1.00 0.00 O ATOM 1393 CG2 THR A 97 -21.461 -6.311 4.363 1.00 0.00 C ATOM 0 H THR A 97 -17.760 -4.271 4.165 1.00 0.00 H new ATOM 0 HA THR A 97 -19.549 -5.937 2.517 1.00 0.00 H new ATOM 0 HB THR A 97 -20.070 -5.050 5.379 1.00 0.00 H new ATOM 0 HG1 THR A 97 -19.630 -7.294 5.892 1.00 0.00 H new ATOM 0 HG21 THR A 97 -21.871 -6.731 5.281 1.00 0.00 H new ATOM 0 HG22 THR A 97 -22.078 -5.473 4.040 1.00 0.00 H new ATOM 0 HG23 THR A 97 -21.452 -7.076 3.586 1.00 0.00 H new ATOM 1401 N VAL A 98 -21.177 -4.045 2.139 1.00 0.00 N ATOM 1402 CA VAL A 98 -21.962 -2.886 1.731 1.00 0.00 C ATOM 1403 C VAL A 98 -23.432 -3.063 2.092 1.00 0.00 C ATOM 1404 O VAL A 98 -24.133 -3.884 1.500 1.00 0.00 O ATOM 1405 CB VAL A 98 -21.843 -2.632 0.217 1.00 0.00 C ATOM 1406 CG1 VAL A 98 -22.599 -1.371 -0.175 1.00 0.00 C ATOM 1407 CG2 VAL A 98 -20.381 -2.536 -0.194 1.00 0.00 C ATOM 0 H VAL A 98 -21.473 -4.925 1.716 1.00 0.00 H new ATOM 0 HA VAL A 98 -21.560 -2.027 2.268 1.00 0.00 H new ATOM 0 HB VAL A 98 -22.291 -3.474 -0.311 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -22.503 -1.208 -1.249 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -23.652 -1.483 0.082 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -22.184 -0.517 0.360 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -20.316 -2.356 -1.267 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -19.906 -1.714 0.341 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -19.873 -3.469 0.049 1.00 0.00 H new ATOM 1417 N HIS A 99 -23.894 -2.287 3.067 1.00 0.00 N ATOM 1418 CA HIS A 99 -25.283 -2.357 3.507 1.00 0.00 C ATOM 1419 C HIS A 99 -26.236 -2.115 2.339 1.00 0.00 C ATOM 1420 O HIS A 99 -27.455 -2.197 2.493 1.00 0.00 O ATOM 1421 CB HIS A 99 -25.543 -1.333 4.612 1.00 0.00 C ATOM 1422 CG HIS A 99 -24.576 -1.424 5.752 1.00 0.00 C ATOM 1423 ND1 HIS A 99 -24.513 -2.510 6.600 1.00 0.00 N ATOM 1424 CD2 HIS A 99 -23.629 -0.558 6.181 1.00 0.00 C ATOM 1425 CE1 HIS A 99 -23.570 -2.307 7.503 1.00 0.00 C ATOM 1426 NE2 HIS A 99 -23.017 -1.130 7.270 1.00 0.00 N ATOM 0 H HIS A 99 -23.327 -1.602 3.567 1.00 0.00 H new ATOM 0 HA HIS A 99 -25.463 -3.358 3.900 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -25.496 -0.331 4.186 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -26.555 -1.471 4.993 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -25.102 -3.340 6.539 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -23.397 0.404 5.748 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -23.298 -2.987 8.296 1.00 0.00 H new