USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 488 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 78 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 81 SER OG : rot 180:sc= -0.93 USER MOD Set 2.1: A 15 ASN : amide:sc= -1.95 K(o=-3.2,f=-6.2!) USER MOD Set 2.2: A 73 TYR OH : rot 180:sc= -1.24 USER MOD Single : A 17 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.01) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.414 K(o=-0.41,f=-3.2!) USER MOD Single : A 48 ASN : amide:sc= -2.47! C(o=-2.5!,f=-4.9!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 110:sc= 0.199 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -1.09 K(o=-1.1,f=-2.2!) USER MOD Single : A 79 GLN : amide:sc=-0.00364 X(o=-0.0036,f=-0.012) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -80:sc= -1.76! USER MOD Single : A 95 GLN : amide:sc= -0.111 X(o=-0.11,f=-0.61) USER MOD ----------------------------------------------------------------- ATOM 144 N LEU A 13 -3.898 19.326 9.954 1.00 0.00 N ATOM 145 CA LEU A 13 -3.425 18.712 8.725 1.00 0.00 C ATOM 146 C LEU A 13 -4.502 17.769 8.183 1.00 0.00 C ATOM 147 O LEU A 13 -5.088 16.994 8.936 1.00 0.00 O ATOM 148 CB LEU A 13 -2.072 18.034 8.950 1.00 0.00 C ATOM 149 CG LEU A 13 -2.053 16.511 8.810 1.00 0.00 C ATOM 150 CD1 LEU A 13 -1.975 16.097 7.339 1.00 0.00 C ATOM 151 CD2 LEU A 13 -0.921 15.898 9.638 1.00 0.00 C ATOM 0 HA LEU A 13 -3.252 19.472 7.963 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.356 18.453 8.243 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.721 18.291 9.949 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.990 16.120 9.206 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.963 15.009 7.267 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.842 16.486 6.805 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.065 16.500 6.895 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.930 14.814 9.521 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.035 16.292 9.295 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.061 16.150 10.689 1.00 0.00 H new ATOM 163 N PRO A 14 -4.735 17.870 6.847 1.00 0.00 N ATOM 164 CA PRO A 14 -5.731 17.036 6.197 1.00 0.00 C ATOM 165 C PRO A 14 -5.224 15.601 6.035 1.00 0.00 C ATOM 166 O PRO A 14 -4.041 15.383 5.777 1.00 0.00 O ATOM 167 CB PRO A 14 -6.010 17.720 4.868 1.00 0.00 C ATOM 168 CG PRO A 14 -4.832 18.648 4.622 1.00 0.00 C ATOM 169 CD PRO A 14 -4.059 18.777 5.924 1.00 0.00 C ATOM 0 HA PRO A 14 -6.646 16.941 6.782 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.106 16.989 4.065 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.946 18.278 4.905 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -4.191 18.250 3.835 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.180 19.625 4.286 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -3.013 18.501 5.793 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.074 19.802 6.294 1.00 0.00 H new ATOM 177 N ASN A 15 -6.144 14.661 6.194 1.00 0.00 N ATOM 178 CA ASN A 15 -5.805 13.254 6.069 1.00 0.00 C ATOM 179 C ASN A 15 -6.916 12.532 5.304 1.00 0.00 C ATOM 180 O ASN A 15 -8.049 13.008 5.252 1.00 0.00 O ATOM 181 CB ASN A 15 -5.672 12.595 7.443 1.00 0.00 C ATOM 182 CG ASN A 15 -4.836 13.460 8.388 1.00 0.00 C ATOM 183 OD1 ASN A 15 -3.622 13.356 8.454 1.00 0.00 O ATOM 184 ND2 ASN A 15 -5.550 14.317 9.112 1.00 0.00 N ATOM 0 H ASN A 15 -7.124 14.846 6.408 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.854 13.182 5.541 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -6.662 12.435 7.871 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.208 11.614 7.336 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -5.084 14.939 9.772 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -6.564 14.352 9.007 1.00 0.00 H new ATOM 191 N ARG A 16 -6.552 11.395 4.729 1.00 0.00 N ATOM 192 CA ARG A 16 -7.504 10.603 3.969 1.00 0.00 C ATOM 193 C ARG A 16 -7.142 9.119 4.047 1.00 0.00 C ATOM 194 O ARG A 16 -5.995 8.743 3.808 1.00 0.00 O ATOM 195 CB ARG A 16 -7.535 11.037 2.502 1.00 0.00 C ATOM 196 CG ARG A 16 -8.974 11.196 2.007 1.00 0.00 C ATOM 197 CD ARG A 16 -9.680 9.842 1.929 1.00 0.00 C ATOM 198 NE ARG A 16 -10.549 9.791 0.732 1.00 0.00 N ATOM 199 CZ ARG A 16 -10.094 9.831 -0.528 1.00 0.00 C ATOM 200 NH1 ARG A 16 -8.778 9.922 -0.763 1.00 0.00 N ATOM 201 NH2 ARG A 16 -10.956 9.781 -1.553 1.00 0.00 N ATOM 0 H ARG A 16 -5.611 11.004 4.774 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.490 10.763 4.404 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.001 11.980 2.387 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -7.016 10.300 1.890 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.522 11.858 2.678 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.974 11.667 1.024 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.943 9.040 1.887 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.275 9.681 2.828 1.00 0.00 H new ATOM 0 HE ARG A 16 -11.557 9.721 0.875 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.122 9.961 0.017 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -8.432 9.952 -1.722 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -11.958 9.713 -1.374 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -10.610 9.811 -2.512 1.00 0.00 H new ATOM 215 N GLN A 17 -8.141 8.315 4.382 1.00 0.00 N ATOM 216 CA GLN A 17 -7.941 6.880 4.495 1.00 0.00 C ATOM 217 C GLN A 17 -8.889 6.137 3.551 1.00 0.00 C ATOM 218 O GLN A 17 -9.970 6.632 3.234 1.00 0.00 O ATOM 219 CB GLN A 17 -8.128 6.413 5.939 1.00 0.00 C ATOM 220 CG GLN A 17 -9.476 6.875 6.495 1.00 0.00 C ATOM 221 CD GLN A 17 -10.050 5.844 7.470 1.00 0.00 C ATOM 222 OE1 GLN A 17 -10.239 6.102 8.647 1.00 0.00 O ATOM 223 NE2 GLN A 17 -10.315 4.664 6.915 1.00 0.00 N ATOM 0 H GLN A 17 -9.091 8.630 4.579 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.916 6.651 4.204 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.065 5.326 5.984 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.322 6.805 6.559 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.355 7.832 7.002 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -10.176 7.035 5.675 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -10.133 4.515 5.923 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.700 3.909 7.482 1.00 0.00 H new ATOM 232 N LEU A 18 -8.449 4.961 3.128 1.00 0.00 N ATOM 233 CA LEU A 18 -9.245 4.145 2.227 1.00 0.00 C ATOM 234 C LEU A 18 -9.080 2.670 2.601 1.00 0.00 C ATOM 235 O LEU A 18 -8.336 2.340 3.523 1.00 0.00 O ATOM 236 CB LEU A 18 -8.890 4.453 0.771 1.00 0.00 C ATOM 237 CG LEU A 18 -9.108 5.898 0.319 1.00 0.00 C ATOM 238 CD1 LEU A 18 -7.944 6.382 -0.548 1.00 0.00 C ATOM 239 CD2 LEU A 18 -10.454 6.054 -0.390 1.00 0.00 C ATOM 0 H LEU A 18 -7.552 4.554 3.392 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.303 4.384 2.331 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.842 4.197 0.611 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.479 3.799 0.128 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.136 6.532 1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.124 7.412 -0.856 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.018 6.331 0.025 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.860 5.748 -1.431 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.584 7.091 -0.701 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.481 5.406 -1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.258 5.776 0.291 1.00 0.00 H new ATOM 251 N LYS A 19 -9.787 1.824 1.867 1.00 0.00 N ATOM 252 CA LYS A 19 -9.728 0.392 2.111 1.00 0.00 C ATOM 253 C LYS A 19 -9.714 -0.348 0.772 1.00 0.00 C ATOM 254 O LYS A 19 -10.743 -0.451 0.105 1.00 0.00 O ATOM 255 CB LYS A 19 -10.863 -0.040 3.041 1.00 0.00 C ATOM 256 CG LYS A 19 -10.355 -0.240 4.470 1.00 0.00 C ATOM 257 CD LYS A 19 -11.337 -1.080 5.289 1.00 0.00 C ATOM 258 CE LYS A 19 -12.750 -0.496 5.218 1.00 0.00 C ATOM 259 NZ LYS A 19 -13.384 -0.509 6.555 1.00 0.00 N ATOM 0 H LYS A 19 -10.404 2.102 1.103 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.806 0.131 2.630 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -11.651 0.713 3.033 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -11.305 -0.967 2.675 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.382 -0.730 4.448 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -10.213 0.729 4.948 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -11.344 -2.104 4.916 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -11.008 -1.121 6.327 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -12.709 0.525 4.838 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -13.354 -1.073 4.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -14.342 -0.109 6.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -13.440 -1.487 6.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -12.816 0.061 7.214 1.00 0.00 H new ATOM 273 N VAL A 20 -8.538 -0.845 0.419 1.00 0.00 N ATOM 274 CA VAL A 20 -8.377 -1.573 -0.828 1.00 0.00 C ATOM 275 C VAL A 20 -8.891 -3.003 -0.649 1.00 0.00 C ATOM 276 O VAL A 20 -8.313 -3.784 0.106 1.00 0.00 O ATOM 277 CB VAL A 20 -6.917 -1.515 -1.283 1.00 0.00 C ATOM 278 CG1 VAL A 20 -6.727 -2.252 -2.611 1.00 0.00 C ATOM 279 CG2 VAL A 20 -6.432 -0.068 -1.386 1.00 0.00 C ATOM 0 H VAL A 20 -7.687 -0.758 0.975 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.969 -1.112 -1.619 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.311 -2.019 -0.530 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.681 -2.196 -2.912 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.015 -3.297 -2.492 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.350 -1.789 -3.376 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.392 -0.055 -1.711 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.045 0.471 -2.109 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.513 0.413 -0.411 1.00 0.00 H new ATOM 289 N LYS A 21 -9.970 -3.303 -1.356 1.00 0.00 N ATOM 290 CA LYS A 21 -10.569 -4.625 -1.285 1.00 0.00 C ATOM 291 C LYS A 21 -9.791 -5.581 -2.191 1.00 0.00 C ATOM 292 O LYS A 21 -10.059 -5.662 -3.389 1.00 0.00 O ATOM 293 CB LYS A 21 -12.063 -4.555 -1.603 1.00 0.00 C ATOM 294 CG LYS A 21 -12.865 -4.111 -0.377 1.00 0.00 C ATOM 295 CD LYS A 21 -13.866 -5.188 0.043 1.00 0.00 C ATOM 296 CE LYS A 21 -14.990 -4.591 0.892 1.00 0.00 C ATOM 297 NZ LYS A 21 -15.952 -5.643 1.293 1.00 0.00 N ATOM 0 H LYS A 21 -10.446 -2.653 -1.982 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.502 -5.020 -0.271 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.231 -3.858 -2.424 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.413 -5.532 -1.937 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.186 -3.899 0.449 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.394 -3.185 -0.600 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.288 -5.663 -0.843 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.353 -5.966 0.608 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.571 -4.116 1.779 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.506 -3.814 0.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.708 -5.221 1.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.365 -6.078 0.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.459 -6.371 1.849 1.00 0.00 H new ATOM 311 N VAL A 22 -8.844 -6.282 -1.585 1.00 0.00 N ATOM 312 CA VAL A 22 -8.026 -7.230 -2.323 1.00 0.00 C ATOM 313 C VAL A 22 -8.735 -8.585 -2.364 1.00 0.00 C ATOM 314 O VAL A 22 -9.922 -8.678 -2.057 1.00 0.00 O ATOM 315 CB VAL A 22 -6.628 -7.304 -1.707 1.00 0.00 C ATOM 316 CG1 VAL A 22 -6.107 -5.909 -1.358 1.00 0.00 C ATOM 317 CG2 VAL A 22 -6.618 -8.216 -0.479 1.00 0.00 C ATOM 0 H VAL A 22 -8.625 -6.213 -0.591 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.895 -6.901 -3.354 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.957 -7.735 -2.450 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.111 -5.991 -0.922 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.058 -5.302 -2.262 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.780 -5.438 -0.641 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.612 -8.251 -0.060 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.309 -7.827 0.269 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.925 -9.221 -0.769 1.00 0.00 H new ATOM 643 N GLN A 44 6.998 0.027 -0.528 1.00 0.00 N ATOM 644 CA GLN A 44 7.246 1.011 0.513 1.00 0.00 C ATOM 645 C GLN A 44 8.389 1.942 0.102 1.00 0.00 C ATOM 646 O GLN A 44 8.428 3.101 0.512 1.00 0.00 O ATOM 647 CB GLN A 44 7.547 0.330 1.850 1.00 0.00 C ATOM 648 CG GLN A 44 8.773 -0.579 1.738 1.00 0.00 C ATOM 649 CD GLN A 44 8.467 -1.979 2.277 1.00 0.00 C ATOM 650 OE1 GLN A 44 7.349 -2.301 2.642 1.00 0.00 O ATOM 651 NE2 GLN A 44 9.521 -2.789 2.305 1.00 0.00 N ATOM 0 HA GLN A 44 6.345 1.610 0.642 1.00 0.00 H new ATOM 0 HB2 GLN A 44 7.719 1.086 2.617 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.684 -0.255 2.167 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.086 -0.647 0.696 1.00 0.00 H new ATOM 0 HG3 GLN A 44 9.604 -0.145 2.293 1.00 0.00 H new ATOM 0 HE21 GLN A 44 10.430 -2.455 1.984 1.00 0.00 H new ATOM 0 HE22 GLN A 44 9.421 -3.745 2.647 1.00 0.00 H new ATOM 660 N GLU A 45 9.291 1.400 -0.703 1.00 0.00 N ATOM 661 CA GLU A 45 10.431 2.167 -1.175 1.00 0.00 C ATOM 662 C GLU A 45 9.979 3.219 -2.190 1.00 0.00 C ATOM 663 O GLU A 45 10.374 4.380 -2.104 1.00 0.00 O ATOM 664 CB GLU A 45 11.500 1.251 -1.772 1.00 0.00 C ATOM 665 CG GLU A 45 12.801 1.330 -0.971 1.00 0.00 C ATOM 666 CD GLU A 45 13.944 0.634 -1.712 1.00 0.00 C ATOM 667 OE1 GLU A 45 14.316 1.146 -2.790 1.00 0.00 O ATOM 668 OE2 GLU A 45 14.421 -0.394 -1.184 1.00 0.00 O ATOM 0 H GLU A 45 9.255 0.438 -1.040 1.00 0.00 H new ATOM 0 HA GLU A 45 10.876 2.681 -0.323 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.138 0.223 -1.783 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.689 1.534 -2.808 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.060 2.374 -0.794 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.660 0.866 0.005 1.00 0.00 H new ATOM 675 N ALA A 46 9.158 2.773 -3.130 1.00 0.00 N ATOM 676 CA ALA A 46 8.649 3.661 -4.161 1.00 0.00 C ATOM 677 C ALA A 46 7.857 4.795 -3.506 1.00 0.00 C ATOM 678 O ALA A 46 8.219 5.964 -3.635 1.00 0.00 O ATOM 679 CB ALA A 46 7.806 2.860 -5.154 1.00 0.00 C ATOM 0 H ALA A 46 8.833 1.809 -3.199 1.00 0.00 H new ATOM 0 HA ALA A 46 9.470 4.111 -4.719 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.424 3.526 -5.928 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.422 2.086 -5.613 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.970 2.396 -4.630 1.00 0.00 H new ATOM 685 N ILE A 47 6.792 4.410 -2.819 1.00 0.00 N ATOM 686 CA ILE A 47 5.947 5.380 -2.144 1.00 0.00 C ATOM 687 C ILE A 47 6.815 6.285 -1.267 1.00 0.00 C ATOM 688 O ILE A 47 6.651 7.504 -1.273 1.00 0.00 O ATOM 689 CB ILE A 47 4.827 4.673 -1.378 1.00 0.00 C ATOM 690 CG1 ILE A 47 3.674 4.300 -2.313 1.00 0.00 C ATOM 691 CG2 ILE A 47 4.353 5.519 -0.194 1.00 0.00 C ATOM 692 CD1 ILE A 47 3.021 2.986 -1.880 1.00 0.00 C ATOM 0 H ILE A 47 6.495 3.440 -2.715 1.00 0.00 H new ATOM 0 HA ILE A 47 5.450 6.022 -2.871 1.00 0.00 H new ATOM 0 HB ILE A 47 5.226 3.744 -0.971 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.930 5.097 -2.315 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.044 4.207 -3.334 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.557 4.993 0.333 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.187 5.692 0.487 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.977 6.476 -0.557 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.205 2.744 -2.561 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.762 2.187 -1.903 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.630 3.090 -0.868 1.00 0.00 H new ATOM 704 N ASN A 48 7.720 5.653 -0.534 1.00 0.00 N ATOM 705 CA ASN A 48 8.614 6.385 0.346 1.00 0.00 C ATOM 706 C ASN A 48 9.224 7.562 -0.418 1.00 0.00 C ATOM 707 O ASN A 48 9.591 8.572 0.181 1.00 0.00 O ATOM 708 CB ASN A 48 9.759 5.495 0.834 1.00 0.00 C ATOM 709 CG ASN A 48 9.415 4.845 2.176 1.00 0.00 C ATOM 710 OD1 ASN A 48 8.426 5.167 2.815 1.00 0.00 O ATOM 711 ND2 ASN A 48 10.283 3.917 2.566 1.00 0.00 N ATOM 0 H ASN A 48 7.853 4.642 -0.532 1.00 0.00 H new ATOM 0 HA ASN A 48 8.035 6.730 1.203 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.964 4.722 0.094 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.668 6.088 0.936 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.142 3.426 3.449 1.00 0.00 H new ATOM 0 HD22 ASN A 48 11.090 3.696 1.983 1.00 0.00 H new ATOM 718 N ASP A 49 9.314 7.392 -1.729 1.00 0.00 N ATOM 719 CA ASP A 49 9.873 8.428 -2.581 1.00 0.00 C ATOM 720 C ASP A 49 8.767 9.411 -2.974 1.00 0.00 C ATOM 721 O ASP A 49 9.000 10.617 -3.043 1.00 0.00 O ATOM 722 CB ASP A 49 10.453 7.831 -3.865 1.00 0.00 C ATOM 723 CG ASP A 49 11.475 8.714 -4.583 1.00 0.00 C ATOM 724 OD1 ASP A 49 11.159 9.908 -4.774 1.00 0.00 O ATOM 725 OD2 ASP A 49 12.549 8.174 -4.926 1.00 0.00 O ATOM 0 H ASP A 49 9.009 6.553 -2.222 1.00 0.00 H new ATOM 0 HA ASP A 49 10.666 8.930 -2.026 1.00 0.00 H new ATOM 0 HB2 ASP A 49 10.924 6.878 -3.624 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.634 7.618 -4.551 1.00 0.00 H new ATOM 730 N LEU A 50 7.589 8.858 -3.221 1.00 0.00 N ATOM 731 CA LEU A 50 6.447 9.671 -3.605 1.00 0.00 C ATOM 732 C LEU A 50 5.973 10.480 -2.396 1.00 0.00 C ATOM 733 O LEU A 50 5.236 11.454 -2.547 1.00 0.00 O ATOM 734 CB LEU A 50 5.355 8.800 -4.228 1.00 0.00 C ATOM 735 CG LEU A 50 5.616 8.315 -5.656 1.00 0.00 C ATOM 736 CD1 LEU A 50 4.748 9.074 -6.660 1.00 0.00 C ATOM 737 CD2 LEU A 50 7.104 8.405 -6.001 1.00 0.00 C ATOM 0 H LEU A 50 7.400 7.857 -3.163 1.00 0.00 H new ATOM 0 HA LEU A 50 6.731 10.387 -4.377 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.206 7.928 -3.591 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.421 9.363 -4.222 1.00 0.00 H new ATOM 0 HG LEU A 50 5.334 7.264 -5.717 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.953 8.710 -7.667 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.696 8.915 -6.424 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.975 10.139 -6.606 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.263 8.055 -7.021 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.435 9.440 -5.917 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.676 7.784 -5.311 1.00 0.00 H new ATOM 749 N VAL A 51 6.416 10.048 -1.225 1.00 0.00 N ATOM 750 CA VAL A 51 6.046 10.721 0.009 1.00 0.00 C ATOM 751 C VAL A 51 7.019 11.872 0.269 1.00 0.00 C ATOM 752 O VAL A 51 6.678 12.837 0.952 1.00 0.00 O ATOM 753 CB VAL A 51 5.992 9.713 1.159 1.00 0.00 C ATOM 754 CG1 VAL A 51 5.802 10.422 2.501 1.00 0.00 C ATOM 755 CG2 VAL A 51 4.893 8.674 0.927 1.00 0.00 C ATOM 0 H VAL A 51 7.027 9.241 -1.104 1.00 0.00 H new ATOM 0 HA VAL A 51 5.048 11.152 -0.076 1.00 0.00 H new ATOM 0 HB VAL A 51 6.947 9.189 1.190 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.767 9.683 3.301 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.635 11.104 2.673 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.869 10.985 2.486 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.876 7.970 1.759 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.928 9.175 0.856 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.091 8.136 0.000 1.00 0.00 H new ATOM 765 N LYS A 52 8.212 11.734 -0.290 1.00 0.00 N ATOM 766 CA LYS A 52 9.238 12.751 -0.128 1.00 0.00 C ATOM 767 C LYS A 52 9.182 13.719 -1.311 1.00 0.00 C ATOM 768 O LYS A 52 9.690 14.836 -1.228 1.00 0.00 O ATOM 769 CB LYS A 52 10.609 12.102 0.072 1.00 0.00 C ATOM 770 CG LYS A 52 11.336 11.935 -1.264 1.00 0.00 C ATOM 771 CD LYS A 52 12.761 11.419 -1.052 1.00 0.00 C ATOM 772 CE LYS A 52 13.787 12.528 -1.295 1.00 0.00 C ATOM 773 NZ LYS A 52 15.107 11.947 -1.630 1.00 0.00 N ATOM 0 H LYS A 52 8.492 10.933 -0.856 1.00 0.00 H new ATOM 0 HA LYS A 52 9.054 13.337 0.772 1.00 0.00 H new ATOM 0 HB2 LYS A 52 11.211 12.714 0.744 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.489 11.129 0.549 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.785 11.241 -1.898 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.365 12.890 -1.788 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.866 11.037 -0.036 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.954 10.585 -1.727 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.450 13.172 -2.107 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.873 13.153 -0.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.792 12.712 -1.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 15.434 11.351 -0.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 15.024 11.369 -2.491 1.00 0.00 H new ATOM 787 N LYS A 53 8.559 13.255 -2.385 1.00 0.00 N ATOM 788 CA LYS A 53 8.430 14.066 -3.584 1.00 0.00 C ATOM 789 C LYS A 53 7.350 15.127 -3.362 1.00 0.00 C ATOM 790 O LYS A 53 7.380 16.188 -3.985 1.00 0.00 O ATOM 791 CB LYS A 53 8.180 13.180 -4.806 1.00 0.00 C ATOM 792 CG LYS A 53 9.478 12.521 -5.280 1.00 0.00 C ATOM 793 CD LYS A 53 9.660 12.693 -6.789 1.00 0.00 C ATOM 794 CE LYS A 53 8.480 12.092 -7.556 1.00 0.00 C ATOM 795 NZ LYS A 53 8.505 12.527 -8.970 1.00 0.00 N ATOM 0 H LYS A 53 8.138 12.328 -2.450 1.00 0.00 H new ATOM 0 HA LYS A 53 9.361 14.595 -3.788 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.447 12.412 -4.559 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.756 13.778 -5.613 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.326 12.961 -4.755 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.464 11.460 -5.030 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.753 13.752 -7.029 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.586 12.212 -7.104 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.521 11.004 -7.503 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.543 12.399 -7.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.698 12.110 -9.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.444 13.564 -9.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.391 12.213 -9.414 1.00 0.00 H new ATOM 809 N TYR A 54 6.422 14.805 -2.474 1.00 0.00 N ATOM 810 CA TYR A 54 5.335 15.717 -2.162 1.00 0.00 C ATOM 811 C TYR A 54 5.701 16.625 -0.986 1.00 0.00 C ATOM 812 O TYR A 54 6.745 16.447 -0.361 1.00 0.00 O ATOM 813 CB TYR A 54 4.148 14.838 -1.763 1.00 0.00 C ATOM 814 CG TYR A 54 3.387 14.243 -2.950 1.00 0.00 C ATOM 815 CD1 TYR A 54 4.078 13.618 -3.968 1.00 0.00 C ATOM 816 CD2 TYR A 54 2.011 14.332 -3.002 1.00 0.00 C ATOM 817 CE1 TYR A 54 3.362 13.058 -5.085 1.00 0.00 C ATOM 818 CE2 TYR A 54 1.295 13.772 -4.119 1.00 0.00 C ATOM 819 CZ TYR A 54 2.006 13.163 -5.105 1.00 0.00 C ATOM 820 OH TYR A 54 1.330 12.634 -6.160 1.00 0.00 O ATOM 0 H TYR A 54 6.400 13.924 -1.960 1.00 0.00 H new ATOM 0 HA TYR A 54 5.113 16.356 -3.017 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.507 14.026 -1.131 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.457 15.429 -1.161 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.155 13.549 -3.927 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.471 14.822 -2.205 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.890 12.566 -5.889 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.218 13.834 -4.172 1.00 0.00 H new ATOM 0 HH TYR A 54 0.825 11.848 -5.864 1.00 0.00 H new ATOM 830 N THR A 55 4.820 17.579 -0.720 1.00 0.00 N ATOM 831 CA THR A 55 5.037 18.515 0.369 1.00 0.00 C ATOM 832 C THR A 55 4.499 17.940 1.681 1.00 0.00 C ATOM 833 O THR A 55 3.291 17.772 1.840 1.00 0.00 O ATOM 834 CB THR A 55 4.395 19.849 -0.018 1.00 0.00 C ATOM 835 OG1 THR A 55 5.303 20.409 -0.963 1.00 0.00 O ATOM 836 CG2 THR A 55 4.391 20.854 1.136 1.00 0.00 C ATOM 0 H THR A 55 3.955 17.723 -1.240 1.00 0.00 H new ATOM 0 HA THR A 55 6.100 18.687 0.537 1.00 0.00 H new ATOM 0 HB THR A 55 3.372 19.676 -0.352 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.964 21.276 -1.269 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.925 21.783 0.808 1.00 0.00 H new ATOM 0 HG22 THR A 55 3.830 20.443 1.975 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.416 21.053 1.448 1.00 0.00 H new ATOM 844 N LEU A 56 5.422 17.654 2.587 1.00 0.00 N ATOM 845 CA LEU A 56 5.056 17.101 3.880 1.00 0.00 C ATOM 846 C LEU A 56 3.937 16.074 3.693 1.00 0.00 C ATOM 847 O LEU A 56 2.817 16.279 4.158 1.00 0.00 O ATOM 848 CB LEU A 56 4.704 18.221 4.862 1.00 0.00 C ATOM 849 CG LEU A 56 5.883 19.029 5.408 1.00 0.00 C ATOM 850 CD1 LEU A 56 7.051 18.113 5.777 1.00 0.00 C ATOM 851 CD2 LEU A 56 6.301 20.123 4.423 1.00 0.00 C ATOM 0 H LEU A 56 6.423 17.795 2.451 1.00 0.00 H new ATOM 0 HA LEU A 56 5.902 16.575 4.322 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.016 18.907 4.368 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.168 17.784 5.704 1.00 0.00 H new ATOM 0 HG LEU A 56 5.562 19.526 6.324 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.876 18.712 6.162 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.730 17.404 6.540 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.380 17.569 4.892 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.141 20.682 4.835 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.597 19.668 3.478 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.463 20.799 4.253 1.00 0.00 H new ATOM 863 N ALA A 57 4.280 14.991 3.010 1.00 0.00 N ATOM 864 CA ALA A 57 3.319 13.932 2.755 1.00 0.00 C ATOM 865 C ALA A 57 3.606 12.754 3.688 1.00 0.00 C ATOM 866 O ALA A 57 4.656 12.704 4.327 1.00 0.00 O ATOM 867 CB ALA A 57 3.376 13.534 1.279 1.00 0.00 C ATOM 0 H ALA A 57 5.210 14.825 2.626 1.00 0.00 H new ATOM 0 HA ALA A 57 2.305 14.276 2.960 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.655 12.739 1.088 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.136 14.398 0.660 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.378 13.180 1.036 1.00 0.00 H new ATOM 873 N ARG A 58 2.654 11.833 3.737 1.00 0.00 N ATOM 874 CA ARG A 58 2.791 10.659 4.580 1.00 0.00 C ATOM 875 C ARG A 58 1.744 9.608 4.203 1.00 0.00 C ATOM 876 O ARG A 58 0.554 9.912 4.128 1.00 0.00 O ATOM 877 CB ARG A 58 2.630 11.020 6.058 1.00 0.00 C ATOM 878 CG ARG A 58 3.810 10.500 6.882 1.00 0.00 C ATOM 879 CD ARG A 58 4.031 11.361 8.128 1.00 0.00 C ATOM 880 NE ARG A 58 5.479 11.585 8.338 1.00 0.00 N ATOM 881 CZ ARG A 58 5.991 12.257 9.378 1.00 0.00 C ATOM 882 NH1 ARG A 58 5.178 12.774 10.308 1.00 0.00 N ATOM 883 NH2 ARG A 58 7.318 12.411 9.487 1.00 0.00 N ATOM 0 H ARG A 58 1.784 11.877 3.206 1.00 0.00 H new ATOM 0 HA ARG A 58 3.791 10.254 4.423 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.556 12.102 6.166 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.701 10.597 6.440 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.625 9.467 7.177 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.713 10.500 6.271 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.519 12.317 8.015 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.600 10.870 9.001 1.00 0.00 H new ATOM 0 HE ARG A 58 6.127 11.204 7.648 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.168 12.656 10.225 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.569 13.285 11.099 1.00 0.00 H new ATOM 0 HH21 ARG A 58 7.937 12.017 8.779 1.00 0.00 H new ATOM 0 HH22 ARG A 58 7.709 12.922 10.278 1.00 0.00 H new ATOM 897 N ALA A 59 2.225 8.395 3.975 1.00 0.00 N ATOM 898 CA ALA A 59 1.346 7.298 3.607 1.00 0.00 C ATOM 899 C ALA A 59 1.860 6.004 4.239 1.00 0.00 C ATOM 900 O ALA A 59 3.066 5.763 4.276 1.00 0.00 O ATOM 901 CB ALA A 59 1.255 7.207 2.082 1.00 0.00 C ATOM 0 H ALA A 59 3.212 8.147 4.038 1.00 0.00 H new ATOM 0 HA ALA A 59 0.338 7.470 3.984 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.596 6.384 1.805 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.856 8.141 1.685 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.248 7.031 1.668 1.00 0.00 H new ATOM 907 N PHE A 60 0.920 5.204 4.721 1.00 0.00 N ATOM 908 CA PHE A 60 1.263 3.940 5.350 1.00 0.00 C ATOM 909 C PHE A 60 0.346 2.817 4.861 1.00 0.00 C ATOM 910 O PHE A 60 -0.524 3.043 4.022 1.00 0.00 O ATOM 911 CB PHE A 60 1.068 4.123 6.857 1.00 0.00 C ATOM 912 CG PHE A 60 2.318 4.610 7.592 1.00 0.00 C ATOM 913 CD1 PHE A 60 3.515 4.001 7.376 1.00 0.00 C ATOM 914 CD2 PHE A 60 2.233 5.654 8.460 1.00 0.00 C ATOM 915 CE1 PHE A 60 4.675 4.453 8.059 1.00 0.00 C ATOM 916 CE2 PHE A 60 3.393 6.106 9.142 1.00 0.00 C ATOM 917 CZ PHE A 60 4.590 5.496 8.927 1.00 0.00 C ATOM 0 H PHE A 60 -0.079 5.407 4.688 1.00 0.00 H new ATOM 0 HA PHE A 60 2.289 3.668 5.103 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.260 4.835 7.024 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.751 3.174 7.290 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.583 3.174 6.685 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.283 6.139 8.630 1.00 0.00 H new ATOM 0 HE1 PHE A 60 5.625 3.968 7.889 1.00 0.00 H new ATOM 0 HE2 PHE A 60 3.325 6.934 9.832 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.472 5.840 9.446 1.00 0.00 H new ATOM 927 N VAL A 61 0.572 1.632 5.408 1.00 0.00 N ATOM 928 CA VAL A 61 -0.224 0.474 5.038 1.00 0.00 C ATOM 929 C VAL A 61 -0.186 -0.550 6.175 1.00 0.00 C ATOM 930 O VAL A 61 0.869 -0.800 6.755 1.00 0.00 O ATOM 931 CB VAL A 61 0.268 -0.095 3.706 1.00 0.00 C ATOM 932 CG1 VAL A 61 -0.309 0.692 2.527 1.00 0.00 C ATOM 933 CG2 VAL A 61 1.796 -0.121 3.652 1.00 0.00 C ATOM 0 H VAL A 61 1.294 1.449 6.104 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.266 0.758 4.890 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.087 -1.123 3.629 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.056 0.267 1.592 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.397 0.636 2.550 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.002 1.734 2.598 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.119 -0.530 2.695 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.181 0.893 3.762 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.178 -0.744 4.460 1.00 0.00 H new ATOM 1059 N VAL A 70 -6.834 -4.293 2.934 1.00 0.00 N ATOM 1060 CA VAL A 70 -5.634 -3.494 3.120 1.00 0.00 C ATOM 1061 C VAL A 70 -6.021 -2.016 3.213 1.00 0.00 C ATOM 1062 O VAL A 70 -6.337 -1.389 2.204 1.00 0.00 O ATOM 1063 CB VAL A 70 -4.635 -3.780 1.997 1.00 0.00 C ATOM 1064 CG1 VAL A 70 -3.353 -2.966 2.183 1.00 0.00 C ATOM 1065 CG2 VAL A 70 -4.327 -5.276 1.906 1.00 0.00 C ATOM 0 HA VAL A 70 -5.138 -3.761 4.053 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.092 -3.474 1.056 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.660 -3.188 1.371 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.593 -1.903 2.175 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.892 -3.226 3.136 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.615 -5.452 1.100 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.900 -5.618 2.849 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.247 -5.825 1.704 1.00 0.00 H new ATOM 1075 N ARG A 71 -5.982 -1.504 4.435 1.00 0.00 N ATOM 1076 CA ARG A 71 -6.324 -0.112 4.673 1.00 0.00 C ATOM 1077 C ARG A 71 -5.209 0.804 4.164 1.00 0.00 C ATOM 1078 O ARG A 71 -4.059 0.677 4.581 1.00 0.00 O ATOM 1079 CB ARG A 71 -6.551 0.152 6.163 1.00 0.00 C ATOM 1080 CG ARG A 71 -5.220 0.302 6.902 1.00 0.00 C ATOM 1081 CD ARG A 71 -5.432 0.310 8.418 1.00 0.00 C ATOM 1082 NE ARG A 71 -4.516 1.284 9.052 1.00 0.00 N ATOM 1083 CZ ARG A 71 -4.289 1.353 10.371 1.00 0.00 C ATOM 1084 NH1 ARG A 71 -4.911 0.507 11.203 1.00 0.00 N ATOM 1085 NH2 ARG A 71 -3.441 2.270 10.857 1.00 0.00 N ATOM 0 H ARG A 71 -5.719 -2.028 5.270 1.00 0.00 H new ATOM 0 HA ARG A 71 -7.247 0.099 4.133 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.145 1.057 6.289 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.122 -0.668 6.598 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.554 -0.516 6.629 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.732 1.227 6.595 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.466 0.568 8.648 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -5.254 -0.686 8.824 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.027 1.944 8.447 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -5.557 -0.190 10.833 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -4.738 0.560 12.207 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.969 2.915 10.223 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.268 2.323 11.861 1.00 0.00 H new ATOM 1099 N VAL A 72 -5.589 1.705 3.271 1.00 0.00 N ATOM 1100 CA VAL A 72 -4.635 2.641 2.701 1.00 0.00 C ATOM 1101 C VAL A 72 -4.896 4.038 3.268 1.00 0.00 C ATOM 1102 O VAL A 72 -5.985 4.586 3.101 1.00 0.00 O ATOM 1103 CB VAL A 72 -4.705 2.594 1.173 1.00 0.00 C ATOM 1104 CG1 VAL A 72 -4.315 3.943 0.565 1.00 0.00 C ATOM 1105 CG2 VAL A 72 -3.829 1.469 0.618 1.00 0.00 C ATOM 0 H VAL A 72 -6.544 1.807 2.928 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.617 2.363 2.976 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.737 2.385 0.891 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.373 3.883 -0.522 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.997 4.714 0.923 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.296 4.194 0.861 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.897 1.458 -0.470 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.793 1.634 0.915 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.172 0.513 1.013 1.00 0.00 H new ATOM 1115 N TYR A 73 -3.880 4.573 3.928 1.00 0.00 N ATOM 1116 CA TYR A 73 -3.986 5.895 4.522 1.00 0.00 C ATOM 1117 C TYR A 73 -2.867 6.812 4.023 1.00 0.00 C ATOM 1118 O TYR A 73 -1.691 6.460 4.101 1.00 0.00 O ATOM 1119 CB TYR A 73 -3.830 5.694 6.031 1.00 0.00 C ATOM 1120 CG TYR A 73 -4.076 6.959 6.856 1.00 0.00 C ATOM 1121 CD1 TYR A 73 -5.107 7.813 6.519 1.00 0.00 C ATOM 1122 CD2 TYR A 73 -3.267 7.246 7.937 1.00 0.00 C ATOM 1123 CE1 TYR A 73 -5.338 9.003 7.296 1.00 0.00 C ATOM 1124 CE2 TYR A 73 -3.499 8.436 8.713 1.00 0.00 C ATOM 1125 CZ TYR A 73 -4.523 9.256 8.354 1.00 0.00 C ATOM 1126 OH TYR A 73 -4.741 10.380 9.088 1.00 0.00 O ATOM 0 H TYR A 73 -2.979 4.115 4.065 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.937 6.359 4.258 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.523 4.919 6.358 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.824 5.329 6.236 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -5.740 7.589 5.673 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -2.460 6.578 8.200 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -6.141 9.680 7.044 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -2.874 8.672 9.561 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.083 10.430 9.812 1.00 0.00 H new ATOM 1136 N ALA A 74 -3.272 7.969 3.522 1.00 0.00 N ATOM 1137 CA ALA A 74 -2.318 8.939 3.011 1.00 0.00 C ATOM 1138 C ALA A 74 -2.771 10.347 3.401 1.00 0.00 C ATOM 1139 O ALA A 74 -3.966 10.639 3.411 1.00 0.00 O ATOM 1140 CB ALA A 74 -2.179 8.769 1.497 1.00 0.00 C ATOM 0 H ALA A 74 -4.248 8.257 3.459 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.333 8.777 3.449 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.464 9.496 1.113 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.827 7.762 1.275 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.147 8.928 1.023 1.00 0.00 H new ATOM 1146 N GLU A 75 -1.792 11.184 3.711 1.00 0.00 N ATOM 1147 CA GLU A 75 -2.074 12.555 4.100 1.00 0.00 C ATOM 1148 C GLU A 75 -0.916 13.471 3.698 1.00 0.00 C ATOM 1149 O GLU A 75 0.154 12.995 3.323 1.00 0.00 O ATOM 1150 CB GLU A 75 -2.354 12.653 5.602 1.00 0.00 C ATOM 1151 CG GLU A 75 -1.121 12.256 6.416 1.00 0.00 C ATOM 1152 CD GLU A 75 -1.507 11.360 7.594 1.00 0.00 C ATOM 1153 OE1 GLU A 75 -1.622 10.137 7.363 1.00 0.00 O ATOM 1154 OE2 GLU A 75 -1.677 11.917 8.700 1.00 0.00 O ATOM 0 H GLU A 75 -0.802 10.939 3.701 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.971 12.883 3.574 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.649 13.671 5.855 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.191 12.005 5.863 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.410 11.734 5.775 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.620 13.151 6.784 1.00 0.00 H new ATOM 1161 N ALA A 76 -1.171 14.768 3.788 1.00 0.00 N ATOM 1162 CA ALA A 76 -0.163 15.754 3.438 1.00 0.00 C ATOM 1163 C ALA A 76 -0.514 17.091 4.094 1.00 0.00 C ATOM 1164 O ALA A 76 -1.596 17.244 4.660 1.00 0.00 O ATOM 1165 CB ALA A 76 -0.061 15.861 1.915 1.00 0.00 C ATOM 0 H ALA A 76 -2.061 15.159 4.098 1.00 0.00 H new ATOM 0 HA ALA A 76 0.816 15.451 3.810 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.695 16.601 1.652 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.219 14.893 1.500 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.024 16.166 1.506 1.00 0.00 H new ATOM 1171 N ASN A 77 0.421 18.025 3.998 1.00 0.00 N ATOM 1172 CA ASN A 77 0.224 19.344 4.575 1.00 0.00 C ATOM 1173 C ASN A 77 -0.879 20.073 3.805 1.00 0.00 C ATOM 1174 O ASN A 77 -1.376 21.105 4.254 1.00 0.00 O ATOM 1175 CB ASN A 77 1.500 20.183 4.480 1.00 0.00 C ATOM 1176 CG ASN A 77 1.227 21.640 4.857 1.00 0.00 C ATOM 1177 OD1 ASN A 77 0.422 21.945 5.722 1.00 0.00 O ATOM 1178 ND2 ASN A 77 1.939 22.521 4.160 1.00 0.00 N ATOM 0 H ASN A 77 1.317 17.894 3.529 1.00 0.00 H new ATOM 0 HA ASN A 77 -0.047 19.216 5.623 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.262 19.769 5.141 1.00 0.00 H new ATOM 0 HB3 ASN A 77 1.897 20.134 3.466 1.00 0.00 H new ATOM 0 HD21 ASN A 77 1.828 23.520 4.336 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.596 22.198 3.450 1.00 0.00 H new ATOM 1185 N SER A 78 -1.231 19.507 2.660 1.00 0.00 N ATOM 1186 CA SER A 78 -2.266 20.091 1.823 1.00 0.00 C ATOM 1187 C SER A 78 -3.325 19.038 1.491 1.00 0.00 C ATOM 1188 O SER A 78 -2.993 17.894 1.183 1.00 0.00 O ATOM 1189 CB SER A 78 -1.674 20.672 0.538 1.00 0.00 C ATOM 1190 OG SER A 78 -0.265 20.862 0.638 1.00 0.00 O ATOM 0 H SER A 78 -0.818 18.650 2.292 1.00 0.00 H new ATOM 0 HA SER A 78 -2.733 20.906 2.376 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.892 20.004 -0.296 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.154 21.625 0.316 1.00 0.00 H new ATOM 0 HG SER A 78 0.076 21.233 -0.203 1.00 0.00 H new ATOM 1196 N GLN A 79 -4.578 19.461 1.565 1.00 0.00 N ATOM 1197 CA GLN A 79 -5.688 18.569 1.275 1.00 0.00 C ATOM 1198 C GLN A 79 -5.585 18.041 -0.157 1.00 0.00 C ATOM 1199 O GLN A 79 -5.777 16.850 -0.398 1.00 0.00 O ATOM 1200 CB GLN A 79 -7.029 19.269 1.506 1.00 0.00 C ATOM 1201 CG GLN A 79 -8.147 18.250 1.735 1.00 0.00 C ATOM 1202 CD GLN A 79 -9.503 18.946 1.871 1.00 0.00 C ATOM 1203 OE1 GLN A 79 -9.922 19.717 1.023 1.00 0.00 O ATOM 1204 NE2 GLN A 79 -10.164 18.631 2.982 1.00 0.00 N ATOM 0 H GLN A 79 -4.850 20.410 1.822 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.635 17.722 1.958 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.954 19.932 2.368 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.271 19.892 0.645 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -8.178 17.545 0.904 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.939 17.672 2.635 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.755 17.978 3.651 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -11.079 19.042 3.165 1.00 0.00 H new ATOM 1213 N GLU A 80 -5.281 18.952 -1.070 1.00 0.00 N ATOM 1214 CA GLU A 80 -5.150 18.593 -2.471 1.00 0.00 C ATOM 1215 C GLU A 80 -4.210 17.396 -2.627 1.00 0.00 C ATOM 1216 O GLU A 80 -4.371 16.591 -3.543 1.00 0.00 O ATOM 1217 CB GLU A 80 -4.663 19.784 -3.299 1.00 0.00 C ATOM 1218 CG GLU A 80 -5.562 20.009 -4.517 1.00 0.00 C ATOM 1219 CD GLU A 80 -4.991 19.314 -5.755 1.00 0.00 C ATOM 1220 OE1 GLU A 80 -4.875 18.071 -5.705 1.00 0.00 O ATOM 1221 OE2 GLU A 80 -4.685 20.042 -6.724 1.00 0.00 O ATOM 0 H GLU A 80 -5.122 19.939 -0.866 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.133 18.309 -2.846 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.651 20.681 -2.680 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -3.638 19.609 -3.626 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.562 19.628 -4.311 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.661 21.078 -4.708 1.00 0.00 H new ATOM 1228 N SER A 81 -3.250 17.316 -1.717 1.00 0.00 N ATOM 1229 CA SER A 81 -2.285 16.230 -1.742 1.00 0.00 C ATOM 1230 C SER A 81 -2.768 15.080 -0.857 1.00 0.00 C ATOM 1231 O SER A 81 -2.700 13.917 -1.253 1.00 0.00 O ATOM 1232 CB SER A 81 -0.906 16.709 -1.283 1.00 0.00 C ATOM 1233 OG SER A 81 -0.938 18.052 -0.807 1.00 0.00 O ATOM 0 H SER A 81 -3.120 17.985 -0.958 1.00 0.00 H new ATOM 0 HA SER A 81 -2.195 15.876 -2.769 1.00 0.00 H new ATOM 0 HB2 SER A 81 -0.539 16.053 -0.493 1.00 0.00 H new ATOM 0 HB3 SER A 81 -0.202 16.635 -2.112 1.00 0.00 H new ATOM 0 HG SER A 81 -0.039 18.320 -0.522 1.00 0.00 H new ATOM 1239 N ALA A 82 -3.245 15.444 0.324 1.00 0.00 N ATOM 1240 CA ALA A 82 -3.740 14.456 1.268 1.00 0.00 C ATOM 1241 C ALA A 82 -4.694 13.501 0.548 1.00 0.00 C ATOM 1242 O ALA A 82 -4.802 12.332 0.914 1.00 0.00 O ATOM 1243 CB ALA A 82 -4.407 15.166 2.448 1.00 0.00 C ATOM 0 H ALA A 82 -3.299 16.409 0.649 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.918 13.862 1.667 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.778 14.425 3.156 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.680 15.809 2.944 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.239 15.770 2.086 1.00 0.00 H new ATOM 1249 N ASP A 83 -5.361 14.035 -0.465 1.00 0.00 N ATOM 1250 CA ASP A 83 -6.303 13.245 -1.240 1.00 0.00 C ATOM 1251 C ASP A 83 -5.567 12.583 -2.407 1.00 0.00 C ATOM 1252 O ASP A 83 -5.721 11.386 -2.644 1.00 0.00 O ATOM 1253 CB ASP A 83 -7.414 14.123 -1.819 1.00 0.00 C ATOM 1254 CG ASP A 83 -8.818 13.521 -1.747 1.00 0.00 C ATOM 1255 OD1 ASP A 83 -9.086 12.607 -2.556 1.00 0.00 O ATOM 1256 OD2 ASP A 83 -9.593 13.988 -0.884 1.00 0.00 O ATOM 0 H ASP A 83 -5.268 15.005 -0.767 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.742 12.499 -0.578 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.416 15.076 -1.290 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.180 14.338 -2.862 1.00 0.00 H new ATOM 1261 N ARG A 84 -4.783 13.391 -3.105 1.00 0.00 N ATOM 1262 CA ARG A 84 -4.022 12.899 -4.241 1.00 0.00 C ATOM 1263 C ARG A 84 -3.255 11.632 -3.858 1.00 0.00 C ATOM 1264 O ARG A 84 -3.507 10.560 -4.405 1.00 0.00 O ATOM 1265 CB ARG A 84 -3.034 13.955 -4.741 1.00 0.00 C ATOM 1266 CG ARG A 84 -2.353 13.499 -6.034 1.00 0.00 C ATOM 1267 CD ARG A 84 -2.520 14.545 -7.139 1.00 0.00 C ATOM 1268 NE ARG A 84 -2.338 13.913 -8.465 1.00 0.00 N ATOM 1269 CZ ARG A 84 -2.177 14.595 -9.606 1.00 0.00 C ATOM 1270 NH1 ARG A 84 -2.174 15.935 -9.591 1.00 0.00 N ATOM 1271 NH2 ARG A 84 -2.019 13.938 -10.763 1.00 0.00 N ATOM 0 H ARG A 84 -4.658 14.384 -2.906 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.728 12.672 -5.040 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.557 14.895 -4.913 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.281 14.145 -3.976 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.293 13.326 -5.849 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.779 12.550 -6.359 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -3.509 14.998 -7.076 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.793 15.346 -7.006 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.335 12.894 -8.513 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -2.294 16.435 -8.710 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -2.051 16.454 -10.460 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -2.021 12.918 -10.775 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.896 14.458 -11.632 1.00 0.00 H new ATOM 1285 N LEU A 85 -2.334 11.798 -2.920 1.00 0.00 N ATOM 1286 CA LEU A 85 -1.528 10.681 -2.458 1.00 0.00 C ATOM 1287 C LEU A 85 -2.449 9.540 -2.021 1.00 0.00 C ATOM 1288 O LEU A 85 -2.166 8.373 -2.289 1.00 0.00 O ATOM 1289 CB LEU A 85 -0.555 11.137 -1.368 1.00 0.00 C ATOM 1290 CG LEU A 85 0.657 10.234 -1.131 1.00 0.00 C ATOM 1291 CD1 LEU A 85 1.616 10.279 -2.322 1.00 0.00 C ATOM 1292 CD2 LEU A 85 1.357 10.591 0.182 1.00 0.00 C ATOM 0 H LEU A 85 -2.128 12.689 -2.468 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.907 10.298 -3.268 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.196 12.134 -1.623 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.105 11.226 -0.431 1.00 0.00 H new ATOM 0 HG LEU A 85 0.305 9.206 -1.040 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.469 9.628 -2.127 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.098 9.940 -3.219 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.966 11.301 -2.469 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.215 9.935 0.327 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.695 11.627 0.144 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.661 10.466 1.011 1.00 0.00 H new ATOM 1304 N ALA A 86 -3.531 9.916 -1.357 1.00 0.00 N ATOM 1305 CA ALA A 86 -4.495 8.939 -0.881 1.00 0.00 C ATOM 1306 C ALA A 86 -5.102 8.203 -2.077 1.00 0.00 C ATOM 1307 O ALA A 86 -4.763 7.050 -2.338 1.00 0.00 O ATOM 1308 CB ALA A 86 -5.555 9.640 -0.029 1.00 0.00 C ATOM 0 H ALA A 86 -3.762 10.885 -1.137 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.008 8.196 -0.249 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.278 8.907 0.328 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.076 10.122 0.823 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.067 10.391 -0.630 1.00 0.00 H new ATOM 1314 N TYR A 87 -5.989 8.900 -2.772 1.00 0.00 N ATOM 1315 CA TYR A 87 -6.646 8.327 -3.934 1.00 0.00 C ATOM 1316 C TYR A 87 -5.646 7.575 -4.815 1.00 0.00 C ATOM 1317 O TYR A 87 -5.949 6.496 -5.321 1.00 0.00 O ATOM 1318 CB TYR A 87 -7.214 9.509 -4.723 1.00 0.00 C ATOM 1319 CG TYR A 87 -7.785 9.128 -6.090 1.00 0.00 C ATOM 1320 CD1 TYR A 87 -8.750 8.146 -6.186 1.00 0.00 C ATOM 1321 CD2 TYR A 87 -7.335 9.767 -7.228 1.00 0.00 C ATOM 1322 CE1 TYR A 87 -9.287 7.787 -7.473 1.00 0.00 C ATOM 1323 CE2 TYR A 87 -7.872 9.408 -8.515 1.00 0.00 C ATOM 1324 CZ TYR A 87 -8.822 8.436 -8.574 1.00 0.00 C ATOM 1325 OH TYR A 87 -9.330 8.097 -9.789 1.00 0.00 O ATOM 0 H TYR A 87 -6.268 9.856 -2.553 1.00 0.00 H new ATOM 0 HA TYR A 87 -7.416 7.619 -3.629 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -7.998 9.983 -4.133 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.428 10.251 -4.863 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -9.103 7.647 -5.296 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -6.580 10.536 -7.153 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -10.042 7.020 -7.562 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -7.528 9.899 -9.413 1.00 0.00 H new ATOM 0 HH TYR A 87 -8.907 8.643 -10.484 1.00 0.00 H new ATOM 1335 N GLU A 88 -4.475 8.175 -4.969 1.00 0.00 N ATOM 1336 CA GLU A 88 -3.429 7.575 -5.779 1.00 0.00 C ATOM 1337 C GLU A 88 -2.922 6.288 -5.125 1.00 0.00 C ATOM 1338 O GLU A 88 -3.109 5.198 -5.663 1.00 0.00 O ATOM 1339 CB GLU A 88 -2.281 8.560 -6.011 1.00 0.00 C ATOM 1340 CG GLU A 88 -2.667 9.617 -7.048 1.00 0.00 C ATOM 1341 CD GLU A 88 -1.425 10.304 -7.619 1.00 0.00 C ATOM 1342 OE1 GLU A 88 -0.435 10.406 -6.863 1.00 0.00 O ATOM 1343 OE2 GLU A 88 -1.494 10.710 -8.799 1.00 0.00 O ATOM 0 H GLU A 88 -4.228 9.070 -4.547 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.851 7.323 -6.752 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.019 9.046 -5.071 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.396 8.020 -6.349 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.232 9.151 -7.855 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.320 10.360 -6.590 1.00 0.00 H new ATOM 1350 N VAL A 89 -2.291 6.457 -3.972 1.00 0.00 N ATOM 1351 CA VAL A 89 -1.756 5.323 -3.238 1.00 0.00 C ATOM 1352 C VAL A 89 -2.738 4.153 -3.329 1.00 0.00 C ATOM 1353 O VAL A 89 -2.408 3.102 -3.877 1.00 0.00 O ATOM 1354 CB VAL A 89 -1.446 5.731 -1.797 1.00 0.00 C ATOM 1355 CG1 VAL A 89 -1.224 4.502 -0.914 1.00 0.00 C ATOM 1356 CG2 VAL A 89 -0.240 6.671 -1.741 1.00 0.00 C ATOM 0 H VAL A 89 -2.138 7.363 -3.528 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.815 4.993 -3.678 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.310 6.270 -1.409 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.005 4.821 0.105 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.123 3.885 -0.916 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.385 3.923 -1.301 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.041 6.946 -0.705 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.633 6.168 -2.157 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.452 7.569 -2.321 1.00 0.00 H new ATOM 1366 N SER A 90 -3.926 4.375 -2.785 1.00 0.00 N ATOM 1367 CA SER A 90 -4.958 3.352 -2.798 1.00 0.00 C ATOM 1368 C SER A 90 -5.064 2.733 -4.193 1.00 0.00 C ATOM 1369 O SER A 90 -5.135 1.513 -4.332 1.00 0.00 O ATOM 1370 CB SER A 90 -6.309 3.927 -2.369 1.00 0.00 C ATOM 1371 OG SER A 90 -6.451 5.294 -2.746 1.00 0.00 O ATOM 0 H SER A 90 -4.197 5.248 -2.333 1.00 0.00 H new ATOM 0 HA SER A 90 -4.680 2.577 -2.084 1.00 0.00 H new ATOM 0 HB2 SER A 90 -7.111 3.342 -2.818 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.415 3.836 -1.288 1.00 0.00 H new ATOM 0 HG SER A 90 -5.971 5.861 -2.107 1.00 0.00 H new ATOM 1377 N LEU A 91 -5.070 3.604 -5.193 1.00 0.00 N ATOM 1378 CA LEU A 91 -5.166 3.158 -6.572 1.00 0.00 C ATOM 1379 C LEU A 91 -3.940 2.309 -6.916 1.00 0.00 C ATOM 1380 O LEU A 91 -4.074 1.194 -7.417 1.00 0.00 O ATOM 1381 CB LEU A 91 -5.370 4.351 -7.508 1.00 0.00 C ATOM 1382 CG LEU A 91 -6.818 4.668 -7.885 1.00 0.00 C ATOM 1383 CD1 LEU A 91 -6.917 6.021 -8.593 1.00 0.00 C ATOM 1384 CD2 LEU A 91 -7.428 3.539 -8.718 1.00 0.00 C ATOM 0 H LEU A 91 -5.010 4.615 -5.075 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.042 2.523 -6.707 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -4.936 5.234 -7.039 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.809 4.169 -8.424 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.401 4.742 -6.967 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.957 6.222 -8.850 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.549 6.805 -7.932 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.316 6.001 -9.502 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -8.458 3.790 -8.972 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.850 3.408 -9.633 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -7.412 2.613 -8.143 1.00 0.00 H new ATOM 1396 N LEU A 92 -2.774 2.870 -6.633 1.00 0.00 N ATOM 1397 CA LEU A 92 -1.525 2.179 -6.906 1.00 0.00 C ATOM 1398 C LEU A 92 -1.616 0.744 -6.382 1.00 0.00 C ATOM 1399 O LEU A 92 -1.453 -0.209 -7.141 1.00 0.00 O ATOM 1400 CB LEU A 92 -0.342 2.967 -6.340 1.00 0.00 C ATOM 1401 CG LEU A 92 -0.372 4.479 -6.568 1.00 0.00 C ATOM 1402 CD1 LEU A 92 1.040 5.066 -6.541 1.00 0.00 C ATOM 1403 CD2 LEU A 92 -1.111 4.824 -7.863 1.00 0.00 C ATOM 0 H LEU A 92 -2.667 3.795 -6.217 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.351 2.116 -7.980 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.288 2.783 -5.267 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.575 2.572 -6.778 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.927 4.936 -5.749 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.990 6.142 -6.706 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.498 4.868 -5.572 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.640 4.606 -7.326 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.118 5.905 -8.001 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.606 4.354 -8.707 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.137 4.459 -7.805 1.00 0.00 H new ATOM 1415 N VAL A 93 -1.877 0.637 -5.087 1.00 0.00 N ATOM 1416 CA VAL A 93 -1.992 -0.665 -4.453 1.00 0.00 C ATOM 1417 C VAL A 93 -2.863 -1.575 -5.320 1.00 0.00 C ATOM 1418 O VAL A 93 -2.389 -2.587 -5.836 1.00 0.00 O ATOM 1419 CB VAL A 93 -2.526 -0.507 -3.028 1.00 0.00 C ATOM 1420 CG1 VAL A 93 -2.397 -1.816 -2.246 1.00 0.00 C ATOM 1421 CG2 VAL A 93 -1.818 0.638 -2.300 1.00 0.00 C ATOM 0 H VAL A 93 -2.012 1.430 -4.460 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.013 -1.137 -4.369 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.585 -0.258 -3.093 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -2.784 -1.676 -1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.967 -2.598 -2.748 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.348 -2.108 -2.196 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.217 0.728 -1.290 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.749 0.432 -2.251 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.984 1.570 -2.840 1.00 0.00 H new ATOM 1431 N PHE A 94 -4.122 -1.184 -5.454 1.00 0.00 N ATOM 1432 CA PHE A 94 -5.063 -1.952 -6.251 1.00 0.00 C ATOM 1433 C PHE A 94 -4.384 -2.537 -7.491 1.00 0.00 C ATOM 1434 O PHE A 94 -4.732 -3.629 -7.937 1.00 0.00 O ATOM 1435 CB PHE A 94 -6.166 -0.988 -6.694 1.00 0.00 C ATOM 1436 CG PHE A 94 -7.425 -1.681 -7.219 1.00 0.00 C ATOM 1437 CD1 PHE A 94 -7.361 -2.448 -8.340 1.00 0.00 C ATOM 1438 CD2 PHE A 94 -8.607 -1.530 -6.564 1.00 0.00 C ATOM 1439 CE1 PHE A 94 -8.529 -3.091 -8.828 1.00 0.00 C ATOM 1440 CE2 PHE A 94 -9.776 -2.173 -7.052 1.00 0.00 C ATOM 1441 CZ PHE A 94 -9.712 -2.940 -8.173 1.00 0.00 C ATOM 0 H PHE A 94 -4.512 -0.345 -5.024 1.00 0.00 H new ATOM 0 HA PHE A 94 -5.459 -2.780 -5.663 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -6.438 -0.352 -5.852 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -5.772 -0.335 -7.472 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -6.422 -2.568 -8.859 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -8.657 -0.921 -5.673 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -8.478 -3.700 -9.719 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -10.715 -2.053 -6.533 1.00 0.00 H new ATOM 0 HZ PHE A 94 -10.601 -3.430 -8.544 1.00 0.00 H new ATOM 1451 N GLN A 95 -3.428 -1.782 -8.013 1.00 0.00 N ATOM 1452 CA GLN A 95 -2.697 -2.212 -9.193 1.00 0.00 C ATOM 1453 C GLN A 95 -1.544 -3.136 -8.796 1.00 0.00 C ATOM 1454 O GLN A 95 -1.483 -4.282 -9.239 1.00 0.00 O ATOM 1455 CB GLN A 95 -2.186 -1.009 -9.989 1.00 0.00 C ATOM 1456 CG GLN A 95 -3.165 -0.634 -11.104 1.00 0.00 C ATOM 1457 CD GLN A 95 -2.589 -0.981 -12.478 1.00 0.00 C ATOM 1458 OE1 GLN A 95 -1.417 -0.788 -12.756 1.00 0.00 O ATOM 1459 NE2 GLN A 95 -3.477 -1.502 -13.321 1.00 0.00 N ATOM 0 H GLN A 95 -3.143 -0.876 -7.641 1.00 0.00 H new ATOM 0 HA GLN A 95 -3.378 -2.769 -9.836 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -2.047 -0.159 -9.321 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -1.211 -1.240 -10.418 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -4.108 -1.161 -10.957 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -3.385 0.433 -11.057 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -4.443 -1.637 -13.024 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -3.191 -1.766 -14.264 1.00 0.00 H new ATOM 1468 N LEU A 96 -0.659 -2.604 -7.967 1.00 0.00 N ATOM 1469 CA LEU A 96 0.488 -3.367 -7.505 1.00 0.00 C ATOM 1470 C LEU A 96 0.009 -4.702 -6.933 1.00 0.00 C ATOM 1471 O LEU A 96 0.337 -5.762 -7.464 1.00 0.00 O ATOM 1472 CB LEU A 96 1.322 -2.540 -6.524 1.00 0.00 C ATOM 1473 CG LEU A 96 1.697 -1.130 -6.985 1.00 0.00 C ATOM 1474 CD1 LEU A 96 1.430 -0.104 -5.882 1.00 0.00 C ATOM 1475 CD2 LEU A 96 3.145 -1.081 -7.475 1.00 0.00 C ATOM 0 H LEU A 96 -0.713 -1.653 -7.603 1.00 0.00 H new ATOM 0 HA LEU A 96 1.154 -3.597 -8.337 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.771 -2.460 -5.587 1.00 0.00 H new ATOM 0 HB3 LEU A 96 2.240 -3.086 -6.308 1.00 0.00 H new ATOM 0 HG LEU A 96 1.062 -0.866 -7.831 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.705 0.890 -6.235 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.372 -0.117 -5.622 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.023 -0.353 -5.002 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.386 -0.068 -7.797 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.813 -1.373 -6.665 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.269 -1.767 -8.313 1.00 0.00 H new ATOM 1487 N ALA A 97 -0.758 -4.608 -5.856 1.00 0.00 N ATOM 1488 CA ALA A 97 -1.284 -5.796 -5.206 1.00 0.00 C ATOM 1489 C ALA A 97 -2.183 -6.553 -6.186 1.00 0.00 C ATOM 1490 O ALA A 97 -1.847 -7.655 -6.617 1.00 0.00 O ATOM 1491 CB ALA A 97 -2.024 -5.393 -3.929 1.00 0.00 C ATOM 0 H ALA A 97 -1.027 -3.727 -5.418 1.00 0.00 H new ATOM 0 HA ALA A 97 -0.474 -6.466 -4.917 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.419 -6.284 -3.441 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -1.335 -4.885 -3.254 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.846 -4.723 -4.181 1.00 0.00 H new ATOM 1497 N GLY A 98 -3.307 -5.931 -6.509 1.00 0.00 N ATOM 1498 CA GLY A 98 -4.257 -6.532 -7.430 1.00 0.00 C ATOM 1499 C GLY A 98 -5.667 -6.538 -6.837 1.00 0.00 C ATOM 1500 O GLY A 98 -6.252 -7.600 -6.629 1.00 0.00 O ATOM 0 H GLY A 98 -3.581 -5.017 -6.149 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -4.256 -5.980 -8.370 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.951 -7.553 -7.659 1.00 0.00 H new ATOM 1504 N GLY A 99 -6.173 -5.341 -6.581 1.00 0.00 N ATOM 1505 CA GLY A 99 -7.503 -5.195 -6.016 1.00 0.00 C ATOM 1506 C GLY A 99 -8.542 -5.933 -6.863 1.00 0.00 C ATOM 1507 O GLY A 99 -8.249 -6.362 -7.978 1.00 0.00 O ATOM 0 H GLY A 99 -5.685 -4.462 -6.755 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.515 -5.585 -4.998 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.762 -4.138 -5.955 1.00 0.00 H new ATOM 1511 N ILE A 100 -9.736 -6.058 -6.302 1.00 0.00 N ATOM 1512 CA ILE A 100 -10.820 -6.736 -6.991 1.00 0.00 C ATOM 1513 C ILE A 100 -12.069 -5.854 -6.961 1.00 0.00 C ATOM 1514 O ILE A 100 -12.205 -4.994 -6.091 1.00 0.00 O ATOM 1515 CB ILE A 100 -11.038 -8.132 -6.404 1.00 0.00 C ATOM 1516 CG1 ILE A 100 -11.518 -8.047 -4.953 1.00 0.00 C ATOM 1517 CG2 ILE A 100 -9.778 -8.989 -6.541 1.00 0.00 C ATOM 1518 CD1 ILE A 100 -12.356 -9.272 -4.580 1.00 0.00 C ATOM 0 H ILE A 100 -9.976 -5.701 -5.377 1.00 0.00 H new ATOM 0 HA ILE A 100 -10.566 -6.893 -8.039 1.00 0.00 H new ATOM 0 HB ILE A 100 -11.825 -8.624 -6.976 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -10.659 -7.973 -4.286 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -12.109 -7.142 -4.814 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -9.961 -9.976 -6.116 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -9.520 -9.090 -7.595 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -8.954 -8.512 -6.010 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -12.684 -9.186 -3.544 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -13.227 -9.330 -5.233 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -11.755 -10.174 -4.697 1.00 0.00 H new