USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 568 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 85 HIS : no HD1:sc= -0.204 X(o=-0.14,f=-0.28) USER MOD Set 1.2: A 87 TYR OH : rot 5:sc= 0.0654 USER MOD Single : A 9 MET CE :methyl 158:sc=-0.00547 (180deg=-0.75) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0.938 K(o=0.94,f=-0.75) USER MOD Single : A 47 LYS NZ :NH3+ -140:sc= -1.83! (180deg=-5.02!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -1.51 K(o=-1.5,f=-3.3!) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 78:sc= 0.262 USER MOD Single : A 76 SER OG : rot 111:sc= 0.365 USER MOD Single : A 77 THR OG1 : rot 69:sc= 1.38 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 THR OG1 : rot 30:sc= 0.385 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.434 USER MOD Single : A 90 LYS NZ :NH3+ -129:sc= 0.282 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 83 N MET A 9 -12.376 11.313 -9.859 1.00 0.00 N ATOM 84 CA MET A 9 -11.676 11.672 -8.631 1.00 0.00 C ATOM 85 C MET A 9 -10.375 10.887 -8.497 1.00 0.00 C ATOM 86 O MET A 9 -10.115 9.963 -9.268 1.00 0.00 O ATOM 87 CB MET A 9 -12.569 11.414 -7.416 1.00 0.00 C ATOM 88 CG MET A 9 -13.885 12.173 -7.456 1.00 0.00 C ATOM 89 SD MET A 9 -13.771 13.802 -6.692 1.00 0.00 S ATOM 90 CE MET A 9 -14.203 13.413 -4.998 1.00 0.00 C ATOM 0 HA MET A 9 -11.435 12.734 -8.677 1.00 0.00 H new ATOM 0 HB2 MET A 9 -12.777 10.346 -7.349 1.00 0.00 H new ATOM 0 HB3 MET A 9 -12.027 11.691 -6.512 1.00 0.00 H new ATOM 0 HG2 MET A 9 -14.205 12.284 -8.492 1.00 0.00 H new ATOM 0 HG3 MET A 9 -14.652 11.590 -6.946 1.00 0.00 H new ATOM 0 HE1 MET A 9 -13.814 14.187 -4.336 1.00 0.00 H new ATOM 0 HE2 MET A 9 -15.288 13.364 -4.901 1.00 0.00 H new ATOM 0 HE3 MET A 9 -13.771 12.451 -4.724 1.00 0.00 H new ATOM 100 N ILE A 10 -9.562 11.261 -7.515 1.00 0.00 N ATOM 101 CA ILE A 10 -8.289 10.591 -7.281 1.00 0.00 C ATOM 102 C ILE A 10 -8.494 9.250 -6.586 1.00 0.00 C ATOM 103 O ILE A 10 -8.122 8.202 -7.114 1.00 0.00 O ATOM 104 CB ILE A 10 -7.345 11.459 -6.428 1.00 0.00 C ATOM 105 CG1 ILE A 10 -7.064 12.788 -7.132 1.00 0.00 C ATOM 106 CG2 ILE A 10 -6.047 10.715 -6.152 1.00 0.00 C ATOM 107 CD1 ILE A 10 -6.362 12.630 -8.463 1.00 0.00 C ATOM 0 H ILE A 10 -9.762 12.024 -6.869 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.835 10.426 -8.258 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.830 11.670 -5.475 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.006 13.314 -7.287 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.454 13.413 -6.480 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.390 11.341 -5.548 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -6.264 9.792 -5.614 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -5.556 10.478 -7.096 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.195 13.612 -8.905 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.404 12.132 -8.312 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.981 12.032 -9.132 1.00 0.00 H new ATOM 119 N ARG A 11 -9.090 9.289 -5.399 1.00 0.00 N ATOM 120 CA ARG A 11 -9.346 8.076 -4.631 1.00 0.00 C ATOM 121 C ARG A 11 -9.643 6.900 -5.556 1.00 0.00 C ATOM 122 O ARG A 11 -9.014 5.847 -5.458 1.00 0.00 O ATOM 123 CB ARG A 11 -10.516 8.292 -3.670 1.00 0.00 C ATOM 124 CG ARG A 11 -10.289 9.420 -2.677 1.00 0.00 C ATOM 125 CD ARG A 11 -10.925 10.717 -3.152 1.00 0.00 C ATOM 126 NE ARG A 11 -10.170 11.888 -2.715 1.00 0.00 N ATOM 127 CZ ARG A 11 -10.248 13.075 -3.306 1.00 0.00 C ATOM 128 NH1 ARG A 11 -11.044 13.247 -4.353 1.00 0.00 N ATOM 129 NH2 ARG A 11 -9.530 14.094 -2.850 1.00 0.00 N ATOM 0 H ARG A 11 -9.405 10.148 -4.948 1.00 0.00 H new ATOM 0 HA ARG A 11 -8.450 7.845 -4.054 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.415 8.504 -4.248 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.700 7.368 -3.122 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.705 9.143 -1.708 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.219 9.570 -2.533 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.989 10.712 -4.240 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.945 10.781 -2.773 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.549 11.789 -1.912 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.598 12.467 -4.706 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.102 14.160 -4.805 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.917 13.966 -2.045 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.591 15.005 -3.305 1.00 0.00 H new ATOM 143 N GLU A 12 -10.606 7.088 -6.453 1.00 0.00 N ATOM 144 CA GLU A 12 -10.987 6.041 -7.394 1.00 0.00 C ATOM 145 C GLU A 12 -9.797 5.621 -8.252 1.00 0.00 C ATOM 146 O GLU A 12 -9.536 4.432 -8.430 1.00 0.00 O ATOM 147 CB GLU A 12 -12.131 6.522 -8.290 1.00 0.00 C ATOM 148 CG GLU A 12 -11.793 7.765 -9.095 1.00 0.00 C ATOM 149 CD GLU A 12 -12.910 8.172 -10.036 1.00 0.00 C ATOM 150 OE1 GLU A 12 -13.920 8.726 -9.553 1.00 0.00 O ATOM 151 OE2 GLU A 12 -12.775 7.938 -11.255 1.00 0.00 O ATOM 0 H GLU A 12 -11.136 7.954 -6.548 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.322 5.177 -6.820 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -12.407 5.720 -8.975 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -13.004 6.727 -7.671 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -11.580 8.588 -8.413 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.885 7.585 -9.671 1.00 0.00 H new ATOM 158 N ARG A 13 -9.081 6.607 -8.782 1.00 0.00 N ATOM 159 CA ARG A 13 -7.920 6.341 -9.623 1.00 0.00 C ATOM 160 C ARG A 13 -6.879 5.519 -8.869 1.00 0.00 C ATOM 161 O ARG A 13 -6.243 4.631 -9.437 1.00 0.00 O ATOM 162 CB ARG A 13 -7.299 7.654 -10.103 1.00 0.00 C ATOM 163 CG ARG A 13 -7.975 8.233 -11.335 1.00 0.00 C ATOM 164 CD ARG A 13 -7.026 9.119 -12.127 1.00 0.00 C ATOM 165 NE ARG A 13 -7.631 9.599 -13.367 1.00 0.00 N ATOM 166 CZ ARG A 13 -6.932 10.098 -14.380 1.00 0.00 C ATOM 167 NH1 ARG A 13 -5.611 10.182 -14.301 1.00 0.00 N ATOM 168 NH2 ARG A 13 -7.555 10.515 -15.475 1.00 0.00 N ATOM 0 H ARG A 13 -9.284 7.597 -8.644 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.254 5.768 -10.488 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.346 8.385 -9.296 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.244 7.489 -10.322 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.333 7.422 -11.970 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -8.849 8.811 -11.034 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.730 9.971 -11.515 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.118 8.562 -12.359 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.645 9.548 -13.460 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.129 9.863 -13.461 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.077 10.566 -15.081 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -8.571 10.452 -15.539 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -7.018 10.898 -16.253 1.00 0.00 H new ATOM 182 N ILE A 14 -6.710 5.823 -7.586 1.00 0.00 N ATOM 183 CA ILE A 14 -5.746 5.112 -6.754 1.00 0.00 C ATOM 184 C ILE A 14 -6.080 3.627 -6.673 1.00 0.00 C ATOM 185 O ILE A 14 -5.329 2.785 -7.163 1.00 0.00 O ATOM 186 CB ILE A 14 -5.696 5.694 -5.329 1.00 0.00 C ATOM 187 CG1 ILE A 14 -5.222 7.148 -5.365 1.00 0.00 C ATOM 188 CG2 ILE A 14 -4.784 4.855 -4.446 1.00 0.00 C ATOM 189 CD1 ILE A 14 -5.265 7.831 -4.016 1.00 0.00 C ATOM 0 H ILE A 14 -7.227 6.556 -7.101 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.770 5.237 -7.224 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.701 5.670 -4.907 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.202 7.180 -5.747 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.842 7.707 -6.066 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.759 5.279 -3.442 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.162 3.834 -4.399 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.777 4.851 -4.863 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.915 8.858 -4.117 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.288 7.831 -3.641 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.622 7.296 -3.317 1.00 0.00 H new ATOM 201 N GLU A 15 -7.214 3.313 -6.053 1.00 0.00 N ATOM 202 CA GLU A 15 -7.647 1.929 -5.909 1.00 0.00 C ATOM 203 C GLU A 15 -7.778 1.255 -7.272 1.00 0.00 C ATOM 204 O GLU A 15 -7.240 0.171 -7.494 1.00 0.00 O ATOM 205 CB GLU A 15 -8.983 1.864 -5.166 1.00 0.00 C ATOM 206 CG GLU A 15 -8.841 1.910 -3.654 1.00 0.00 C ATOM 207 CD GLU A 15 -10.173 1.795 -2.939 1.00 0.00 C ATOM 208 OE1 GLU A 15 -11.201 2.185 -3.532 1.00 0.00 O ATOM 209 OE2 GLU A 15 -10.188 1.315 -1.786 1.00 0.00 O ATOM 0 H GLU A 15 -7.848 3.999 -5.643 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.891 1.397 -5.331 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.610 2.695 -5.489 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.501 0.947 -5.446 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.188 1.100 -3.329 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.358 2.844 -3.366 1.00 0.00 H new ATOM 216 N GLU A 16 -8.497 1.906 -8.181 1.00 0.00 N ATOM 217 CA GLU A 16 -8.700 1.370 -9.522 1.00 0.00 C ATOM 218 C GLU A 16 -7.449 0.646 -10.013 1.00 0.00 C ATOM 219 O GLU A 16 -7.532 -0.299 -10.797 1.00 0.00 O ATOM 220 CB GLU A 16 -9.068 2.492 -10.494 1.00 0.00 C ATOM 221 CG GLU A 16 -10.563 2.744 -10.595 1.00 0.00 C ATOM 222 CD GLU A 16 -10.930 3.610 -11.784 1.00 0.00 C ATOM 223 OE1 GLU A 16 -10.746 3.150 -12.931 1.00 0.00 O ATOM 224 OE2 GLU A 16 -11.400 4.747 -11.569 1.00 0.00 O ATOM 0 H GLU A 16 -8.949 2.805 -8.013 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.520 0.654 -9.479 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.574 3.411 -10.179 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.682 2.246 -11.483 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.084 1.790 -10.671 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.909 3.224 -9.680 1.00 0.00 H new ATOM 231 N LYS A 17 -6.290 1.098 -9.546 1.00 0.00 N ATOM 232 CA LYS A 17 -5.021 0.495 -9.936 1.00 0.00 C ATOM 233 C LYS A 17 -4.678 -0.684 -9.031 1.00 0.00 C ATOM 234 O LYS A 17 -4.420 -1.791 -9.508 1.00 0.00 O ATOM 235 CB LYS A 17 -3.900 1.536 -9.881 1.00 0.00 C ATOM 236 CG LYS A 17 -3.711 2.295 -11.182 1.00 0.00 C ATOM 237 CD LYS A 17 -2.717 1.598 -12.096 1.00 0.00 C ATOM 238 CE LYS A 17 -3.403 0.579 -12.992 1.00 0.00 C ATOM 239 NZ LYS A 17 -2.501 0.093 -14.072 1.00 0.00 N ATOM 0 H LYS A 17 -6.203 1.880 -8.897 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.120 0.130 -10.958 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.115 2.247 -9.083 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.966 1.038 -9.621 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.670 2.390 -11.691 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.363 3.305 -10.967 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.205 2.339 -12.711 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.955 1.101 -11.495 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.737 -0.266 -12.391 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.292 1.026 -13.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.006 -0.600 -14.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.202 0.896 -14.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.664 -0.357 -13.649 1.00 0.00 H new ATOM 253 N LEU A 18 -4.679 -0.442 -7.725 1.00 0.00 N ATOM 254 CA LEU A 18 -4.370 -1.485 -6.754 1.00 0.00 C ATOM 255 C LEU A 18 -5.269 -2.701 -6.955 1.00 0.00 C ATOM 256 O LEU A 18 -4.926 -3.812 -6.551 1.00 0.00 O ATOM 257 CB LEU A 18 -4.531 -0.948 -5.330 1.00 0.00 C ATOM 258 CG LEU A 18 -3.819 0.371 -5.026 1.00 0.00 C ATOM 259 CD1 LEU A 18 -4.420 1.030 -3.795 1.00 0.00 C ATOM 260 CD2 LEU A 18 -2.327 0.140 -4.835 1.00 0.00 C ATOM 0 H LEU A 18 -4.890 0.467 -7.314 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.335 -1.792 -6.906 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.595 -0.818 -5.130 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.166 -1.704 -4.635 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.957 1.040 -5.875 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.901 1.967 -3.594 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.477 1.231 -3.969 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.314 0.365 -2.938 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.836 1.089 -4.620 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.169 -0.547 -4.004 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.906 -0.288 -5.745 1.00 0.00 H new ATOM 272 N ARG A 19 -6.419 -2.482 -7.584 1.00 0.00 N ATOM 273 CA ARG A 19 -7.366 -3.560 -7.841 1.00 0.00 C ATOM 274 C ARG A 19 -6.710 -4.683 -8.639 1.00 0.00 C ATOM 275 O ARG A 19 -6.701 -5.838 -8.213 1.00 0.00 O ATOM 276 CB ARG A 19 -8.585 -3.028 -8.597 1.00 0.00 C ATOM 277 CG ARG A 19 -9.691 -2.519 -7.688 1.00 0.00 C ATOM 278 CD ARG A 19 -11.035 -2.504 -8.400 1.00 0.00 C ATOM 279 NE ARG A 19 -11.744 -3.773 -8.258 1.00 0.00 N ATOM 280 CZ ARG A 19 -12.494 -4.082 -7.206 1.00 0.00 C ATOM 281 NH1 ARG A 19 -12.633 -3.218 -6.210 1.00 0.00 N ATOM 282 NH2 ARG A 19 -13.108 -5.257 -7.150 1.00 0.00 N ATOM 0 H ARG A 19 -6.717 -1.568 -7.925 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.689 -3.961 -6.880 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.268 -2.220 -9.257 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.983 -3.820 -9.231 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.755 -3.150 -6.802 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.448 -1.513 -7.346 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.649 -1.699 -7.998 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.882 -2.290 -9.458 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.659 -4.459 -9.008 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -12.163 -2.313 -6.250 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -13.210 -3.458 -5.403 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -13.004 -5.924 -7.915 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.684 -5.494 -6.342 1.00 0.00 H new ATOM 296 N ALA A 20 -6.162 -4.335 -9.799 1.00 0.00 N ATOM 297 CA ALA A 20 -5.502 -5.313 -10.655 1.00 0.00 C ATOM 298 C ALA A 20 -4.019 -5.426 -10.318 1.00 0.00 C ATOM 299 O ALA A 20 -3.430 -6.502 -10.422 1.00 0.00 O ATOM 300 CB ALA A 20 -5.685 -4.941 -12.119 1.00 0.00 C ATOM 0 H ALA A 20 -6.162 -3.384 -10.167 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.963 -6.284 -10.477 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.187 -5.680 -12.747 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.748 -4.918 -12.359 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.251 -3.958 -12.302 1.00 0.00 H new ATOM 306 N ALA A 21 -3.422 -4.310 -9.915 1.00 0.00 N ATOM 307 CA ALA A 21 -2.008 -4.285 -9.561 1.00 0.00 C ATOM 308 C ALA A 21 -1.663 -5.414 -8.596 1.00 0.00 C ATOM 309 O ALA A 21 -0.798 -6.243 -8.878 1.00 0.00 O ATOM 310 CB ALA A 21 -1.639 -2.939 -8.954 1.00 0.00 C ATOM 0 H ALA A 21 -3.895 -3.411 -9.825 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.429 -4.432 -10.473 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.580 -2.935 -8.695 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.839 -2.147 -9.676 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.233 -2.770 -8.056 1.00 0.00 H new ATOM 316 N PHE A 22 -2.345 -5.440 -7.456 1.00 0.00 N ATOM 317 CA PHE A 22 -2.109 -6.468 -6.448 1.00 0.00 C ATOM 318 C PHE A 22 -3.284 -7.440 -6.377 1.00 0.00 C ATOM 319 O PHE A 22 -3.097 -8.656 -6.392 1.00 0.00 O ATOM 320 CB PHE A 22 -1.881 -5.825 -5.078 1.00 0.00 C ATOM 321 CG PHE A 22 -0.637 -4.986 -5.009 1.00 0.00 C ATOM 322 CD1 PHE A 22 0.605 -5.578 -4.850 1.00 0.00 C ATOM 323 CD2 PHE A 22 -0.711 -3.606 -5.103 1.00 0.00 C ATOM 324 CE1 PHE A 22 1.752 -4.808 -4.787 1.00 0.00 C ATOM 325 CE2 PHE A 22 0.432 -2.831 -5.040 1.00 0.00 C ATOM 326 CZ PHE A 22 1.665 -3.433 -4.881 1.00 0.00 C ATOM 0 H PHE A 22 -3.065 -4.762 -7.207 1.00 0.00 H new ATOM 0 HA PHE A 22 -1.217 -7.025 -6.734 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.742 -5.205 -4.829 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.823 -6.609 -4.323 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.679 -6.653 -4.774 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.673 -3.130 -5.227 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.715 -5.282 -4.664 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.361 -1.756 -5.115 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.559 -2.830 -4.830 1.00 0.00 H new ATOM 336 N GLN A 23 -4.492 -6.893 -6.299 1.00 0.00 N ATOM 337 CA GLN A 23 -5.697 -7.711 -6.224 1.00 0.00 C ATOM 338 C GLN A 23 -5.853 -8.325 -4.837 1.00 0.00 C ATOM 339 O GLN A 23 -6.039 -9.533 -4.683 1.00 0.00 O ATOM 340 CB GLN A 23 -5.655 -8.816 -7.282 1.00 0.00 C ATOM 341 CG GLN A 23 -5.154 -8.342 -8.637 1.00 0.00 C ATOM 342 CD GLN A 23 -4.890 -9.487 -9.595 1.00 0.00 C ATOM 343 OE1 GLN A 23 -5.250 -10.633 -9.325 1.00 0.00 O ATOM 344 NE2 GLN A 23 -4.257 -9.183 -10.722 1.00 0.00 N ATOM 0 H GLN A 23 -4.663 -5.887 -6.286 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.555 -7.067 -6.415 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -5.013 -9.622 -6.928 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.655 -9.233 -7.399 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.889 -7.668 -9.076 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -4.237 -7.769 -8.501 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -3.977 -8.220 -10.906 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -4.051 -9.913 -11.404 1.00 0.00 H new ATOM 353 N PRO A 24 -5.775 -7.477 -3.802 1.00 0.00 N ATOM 354 CA PRO A 24 -5.905 -7.913 -2.408 1.00 0.00 C ATOM 355 C PRO A 24 -7.325 -8.351 -2.068 1.00 0.00 C ATOM 356 O PRO A 24 -8.177 -8.468 -2.949 1.00 0.00 O ATOM 357 CB PRO A 24 -5.524 -6.665 -1.608 1.00 0.00 C ATOM 358 CG PRO A 24 -5.825 -5.525 -2.519 1.00 0.00 C ATOM 359 CD PRO A 24 -5.554 -6.025 -3.911 1.00 0.00 C ATOM 0 HA PRO A 24 -5.281 -8.780 -2.193 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.099 -6.596 -0.684 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.471 -6.681 -1.328 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.862 -5.205 -2.414 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.200 -4.663 -2.285 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.226 -5.570 -4.639 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.537 -5.796 -4.229 1.00 0.00 H new ATOM 367 N VAL A 25 -7.574 -8.593 -0.785 1.00 0.00 N ATOM 368 CA VAL A 25 -8.892 -9.016 -0.328 1.00 0.00 C ATOM 369 C VAL A 25 -9.705 -7.831 0.180 1.00 0.00 C ATOM 370 O VAL A 25 -10.932 -7.819 0.085 1.00 0.00 O ATOM 371 CB VAL A 25 -8.787 -10.070 0.790 1.00 0.00 C ATOM 372 CG1 VAL A 25 -8.143 -9.470 2.031 1.00 0.00 C ATOM 373 CG2 VAL A 25 -10.159 -10.641 1.115 1.00 0.00 C ATOM 0 H VAL A 25 -6.880 -8.503 -0.043 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.398 -9.457 -1.187 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.154 -10.885 0.439 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.077 -10.229 2.810 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.142 -9.114 1.786 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.747 -8.636 2.387 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.066 -11.384 1.907 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.818 -9.838 1.446 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -10.578 -11.110 0.225 1.00 0.00 H new ATOM 383 N PHE A 26 -9.012 -6.834 0.721 1.00 0.00 N ATOM 384 CA PHE A 26 -9.669 -5.643 1.246 1.00 0.00 C ATOM 385 C PHE A 26 -9.172 -4.389 0.532 1.00 0.00 C ATOM 386 O PHE A 26 -8.018 -4.318 0.109 1.00 0.00 O ATOM 387 CB PHE A 26 -9.422 -5.519 2.751 1.00 0.00 C ATOM 388 CG PHE A 26 -10.369 -4.577 3.438 1.00 0.00 C ATOM 389 CD1 PHE A 26 -11.609 -5.015 3.874 1.00 0.00 C ATOM 390 CD2 PHE A 26 -10.019 -3.253 3.648 1.00 0.00 C ATOM 391 CE1 PHE A 26 -12.482 -4.151 4.507 1.00 0.00 C ATOM 392 CE2 PHE A 26 -10.887 -2.385 4.281 1.00 0.00 C ATOM 393 CZ PHE A 26 -12.121 -2.834 4.710 1.00 0.00 C ATOM 0 H PHE A 26 -7.996 -6.828 0.807 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.740 -5.741 1.068 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.508 -6.505 3.208 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.400 -5.179 2.917 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -11.897 -6.044 3.717 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -9.057 -2.896 3.313 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -13.445 -4.505 4.842 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -10.601 -1.356 4.441 1.00 0.00 H new ATOM 0 HZ PHE A 26 -12.802 -2.156 5.203 1.00 0.00 H new ATOM 403 N LEU A 27 -10.052 -3.402 0.402 1.00 0.00 N ATOM 404 CA LEU A 27 -9.704 -2.150 -0.260 1.00 0.00 C ATOM 405 C LEU A 27 -10.644 -1.027 0.169 1.00 0.00 C ATOM 406 O LEU A 27 -11.865 -1.171 0.108 1.00 0.00 O ATOM 407 CB LEU A 27 -9.757 -2.322 -1.780 1.00 0.00 C ATOM 408 CG LEU A 27 -8.799 -1.446 -2.588 1.00 0.00 C ATOM 409 CD1 LEU A 27 -7.366 -1.930 -2.423 1.00 0.00 C ATOM 410 CD2 LEU A 27 -9.194 -1.438 -4.057 1.00 0.00 C ATOM 0 H LEU A 27 -11.011 -3.445 0.746 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.689 -1.882 0.034 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.549 -3.366 -2.015 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.774 -2.117 -2.114 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.863 -0.426 -2.209 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.698 -1.295 -3.005 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.085 -1.884 -1.371 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.287 -2.959 -2.775 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.501 -0.810 -4.617 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.159 -2.455 -4.449 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.205 -1.044 -4.160 1.00 0.00 H new ATOM 422 N GLU A 28 -10.066 0.089 0.600 1.00 0.00 N ATOM 423 CA GLU A 28 -10.853 1.236 1.037 1.00 0.00 C ATOM 424 C GLU A 28 -9.983 2.486 1.141 1.00 0.00 C ATOM 425 O GLU A 28 -8.862 2.435 1.649 1.00 0.00 O ATOM 426 CB GLU A 28 -11.511 0.946 2.387 1.00 0.00 C ATOM 427 CG GLU A 28 -12.333 2.106 2.926 1.00 0.00 C ATOM 428 CD GLU A 28 -13.499 2.463 2.025 1.00 0.00 C ATOM 429 OE1 GLU A 28 -14.562 1.820 2.149 1.00 0.00 O ATOM 430 OE2 GLU A 28 -13.348 3.385 1.196 1.00 0.00 O ATOM 0 H GLU A 28 -9.056 0.224 0.656 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.629 1.416 0.293 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.154 0.071 2.288 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.737 0.692 3.112 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.709 1.850 3.917 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.690 2.978 3.044 1.00 0.00 H new ATOM 437 N VAL A 29 -10.507 3.607 0.656 1.00 0.00 N ATOM 438 CA VAL A 29 -9.779 4.870 0.694 1.00 0.00 C ATOM 439 C VAL A 29 -10.520 5.906 1.533 1.00 0.00 C ATOM 440 O VAL A 29 -11.749 5.979 1.505 1.00 0.00 O ATOM 441 CB VAL A 29 -9.559 5.434 -0.722 1.00 0.00 C ATOM 442 CG1 VAL A 29 -8.722 6.703 -0.667 1.00 0.00 C ATOM 443 CG2 VAL A 29 -8.903 4.391 -1.614 1.00 0.00 C ATOM 0 H VAL A 29 -11.433 3.666 0.232 1.00 0.00 H new ATOM 0 HA VAL A 29 -8.810 4.664 1.149 1.00 0.00 H new ATOM 0 HB VAL A 29 -10.530 5.686 -1.149 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.577 7.087 -1.677 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.236 7.452 -0.064 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.753 6.481 -0.221 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.755 4.806 -2.611 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.939 4.106 -1.193 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -9.545 3.512 -1.679 1.00 0.00 H new ATOM 453 N VAL A 30 -9.765 6.706 2.278 1.00 0.00 N ATOM 454 CA VAL A 30 -10.349 7.740 3.124 1.00 0.00 C ATOM 455 C VAL A 30 -10.039 9.131 2.584 1.00 0.00 C ATOM 456 O VAL A 30 -8.940 9.652 2.776 1.00 0.00 O ATOM 457 CB VAL A 30 -9.836 7.636 4.572 1.00 0.00 C ATOM 458 CG1 VAL A 30 -10.480 8.703 5.445 1.00 0.00 C ATOM 459 CG2 VAL A 30 -10.099 6.247 5.133 1.00 0.00 C ATOM 0 H VAL A 30 -8.747 6.658 2.313 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.428 7.583 3.117 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.759 7.803 4.570 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -10.105 8.614 6.465 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -10.235 9.690 5.053 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.562 8.570 5.443 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -9.730 6.192 6.157 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.170 6.047 5.122 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.586 5.505 4.522 1.00 0.00 H new ATOM 469 N ASP A 31 -11.015 9.729 1.909 1.00 0.00 N ATOM 470 CA ASP A 31 -10.847 11.062 1.342 1.00 0.00 C ATOM 471 C ASP A 31 -11.218 12.136 2.360 1.00 0.00 C ATOM 472 O ASP A 31 -12.143 11.959 3.152 1.00 0.00 O ATOM 473 CB ASP A 31 -11.704 11.216 0.084 1.00 0.00 C ATOM 474 CG ASP A 31 -13.013 10.458 0.179 1.00 0.00 C ATOM 475 OD1 ASP A 31 -13.001 9.225 -0.018 1.00 0.00 O ATOM 476 OD2 ASP A 31 -14.051 11.098 0.450 1.00 0.00 O ATOM 0 H ASP A 31 -11.930 9.312 1.741 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.798 11.187 1.075 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.911 12.273 -0.084 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.143 10.860 -0.780 1.00 0.00 H new ATOM 481 N GLU A 32 -10.490 13.247 2.332 1.00 0.00 N ATOM 482 CA GLU A 32 -10.743 14.349 3.254 1.00 0.00 C ATOM 483 C GLU A 32 -11.623 15.412 2.603 1.00 0.00 C ATOM 484 O GLU A 32 -11.290 16.597 2.610 1.00 0.00 O ATOM 485 CB GLU A 32 -9.423 14.973 3.711 1.00 0.00 C ATOM 486 CG GLU A 32 -8.473 15.294 2.569 1.00 0.00 C ATOM 487 CD GLU A 32 -9.186 15.872 1.363 1.00 0.00 C ATOM 488 OE1 GLU A 32 -9.735 15.086 0.563 1.00 0.00 O ATOM 489 OE2 GLU A 32 -9.196 17.113 1.219 1.00 0.00 O ATOM 0 H GLU A 32 -9.721 13.409 1.682 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.268 13.950 4.122 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.636 15.888 4.263 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.929 14.291 4.403 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.720 16.002 2.915 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.945 14.387 2.274 1.00 0.00 H new ATOM 686 N PHE A 46 -5.467 11.878 4.422 1.00 0.00 N ATOM 687 CA PHE A 46 -5.585 10.833 3.411 1.00 0.00 C ATOM 688 C PHE A 46 -5.003 9.517 3.918 1.00 0.00 C ATOM 689 O PHE A 46 -3.873 9.471 4.404 1.00 0.00 O ATOM 690 CB PHE A 46 -4.872 11.257 2.124 1.00 0.00 C ATOM 691 CG PHE A 46 -5.489 10.683 0.881 1.00 0.00 C ATOM 692 CD1 PHE A 46 -6.862 10.714 0.695 1.00 0.00 C ATOM 693 CD2 PHE A 46 -4.697 10.113 -0.102 1.00 0.00 C ATOM 694 CE1 PHE A 46 -7.432 10.187 -0.448 1.00 0.00 C ATOM 695 CE2 PHE A 46 -5.261 9.584 -1.248 1.00 0.00 C ATOM 696 CZ PHE A 46 -6.631 9.622 -1.421 1.00 0.00 C ATOM 0 HA PHE A 46 -6.644 10.684 3.200 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.880 12.345 2.055 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.828 10.948 2.178 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -7.494 11.155 1.452 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -3.625 10.081 0.028 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -8.503 10.217 -0.581 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.632 9.142 -2.006 1.00 0.00 H new ATOM 0 HZ PHE A 46 -7.075 9.211 -2.315 1.00 0.00 H new ATOM 706 N LYS A 47 -5.783 8.448 3.801 1.00 0.00 N ATOM 707 CA LYS A 47 -5.348 7.130 4.247 1.00 0.00 C ATOM 708 C LYS A 47 -6.031 6.030 3.440 1.00 0.00 C ATOM 709 O LYS A 47 -7.194 6.159 3.057 1.00 0.00 O ATOM 710 CB LYS A 47 -5.649 6.947 5.736 1.00 0.00 C ATOM 711 CG LYS A 47 -5.476 5.518 6.220 1.00 0.00 C ATOM 712 CD LYS A 47 -6.773 4.732 6.112 1.00 0.00 C ATOM 713 CE LYS A 47 -7.653 4.938 7.336 1.00 0.00 C ATOM 714 NZ LYS A 47 -8.980 4.282 7.181 1.00 0.00 N ATOM 0 H LYS A 47 -6.721 8.469 3.401 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.272 7.058 4.089 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.994 7.599 6.313 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.672 7.267 5.933 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.701 5.025 5.633 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.137 5.522 7.256 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.314 5.041 5.218 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.549 3.671 5.998 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.150 4.537 8.216 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.793 6.005 7.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.720 4.899 7.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -9.168 4.113 6.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.981 3.375 7.690 1.00 0.00 H new ATOM 728 N VAL A 48 -5.301 4.948 3.187 1.00 0.00 N ATOM 729 CA VAL A 48 -5.838 3.825 2.428 1.00 0.00 C ATOM 730 C VAL A 48 -5.635 2.511 3.174 1.00 0.00 C ATOM 731 O VAL A 48 -4.585 2.281 3.775 1.00 0.00 O ATOM 732 CB VAL A 48 -5.182 3.721 1.039 1.00 0.00 C ATOM 733 CG1 VAL A 48 -5.666 2.476 0.311 1.00 0.00 C ATOM 734 CG2 VAL A 48 -5.466 4.971 0.221 1.00 0.00 C ATOM 0 H VAL A 48 -4.337 4.826 3.496 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.905 4.008 2.304 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.103 3.639 1.171 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.191 2.420 -0.669 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.406 1.591 0.892 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.748 2.524 0.188 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.995 4.880 -0.758 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.543 5.087 0.096 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.064 5.843 0.738 1.00 0.00 H new ATOM 744 N VAL A 49 -6.646 1.649 3.131 1.00 0.00 N ATOM 745 CA VAL A 49 -6.578 0.356 3.802 1.00 0.00 C ATOM 746 C VAL A 49 -6.528 -0.785 2.791 1.00 0.00 C ATOM 747 O VAL A 49 -7.498 -1.038 2.076 1.00 0.00 O ATOM 748 CB VAL A 49 -7.783 0.145 4.738 1.00 0.00 C ATOM 749 CG1 VAL A 49 -7.733 -1.238 5.369 1.00 0.00 C ATOM 750 CG2 VAL A 49 -7.821 1.227 5.807 1.00 0.00 C ATOM 0 H VAL A 49 -7.522 1.823 2.638 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.663 0.354 4.394 1.00 0.00 H new ATOM 0 HB VAL A 49 -8.697 0.216 4.148 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.592 -1.369 6.027 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.757 -1.996 4.586 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.814 -1.341 5.947 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.678 1.063 6.460 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.904 1.189 6.395 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.908 2.204 5.332 1.00 0.00 H new ATOM 760 N LEU A 50 -5.392 -1.471 2.738 1.00 0.00 N ATOM 761 CA LEU A 50 -5.214 -2.587 1.816 1.00 0.00 C ATOM 762 C LEU A 50 -4.699 -3.822 2.547 1.00 0.00 C ATOM 763 O LEU A 50 -3.603 -3.811 3.109 1.00 0.00 O ATOM 764 CB LEU A 50 -4.244 -2.200 0.698 1.00 0.00 C ATOM 765 CG LEU A 50 -4.004 -3.260 -0.378 1.00 0.00 C ATOM 766 CD1 LEU A 50 -3.693 -2.603 -1.714 1.00 0.00 C ATOM 767 CD2 LEU A 50 -2.874 -4.193 0.035 1.00 0.00 C ATOM 0 H LEU A 50 -4.580 -1.274 3.323 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.185 -2.825 1.381 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.619 -1.298 0.214 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.285 -1.944 1.148 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.914 -3.850 -0.489 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.525 -3.372 -2.468 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.533 -1.977 -2.016 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.798 -1.988 -1.618 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.717 -4.941 -0.742 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.959 -3.617 0.174 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.136 -4.690 0.969 1.00 0.00 H new ATOM 779 N VAL A 51 -5.495 -4.886 2.535 1.00 0.00 N ATOM 780 CA VAL A 51 -5.119 -6.130 3.195 1.00 0.00 C ATOM 781 C VAL A 51 -4.666 -7.175 2.181 1.00 0.00 C ATOM 782 O VAL A 51 -5.400 -7.511 1.251 1.00 0.00 O ATOM 783 CB VAL A 51 -6.286 -6.704 4.020 1.00 0.00 C ATOM 784 CG1 VAL A 51 -5.899 -8.040 4.636 1.00 0.00 C ATOM 785 CG2 VAL A 51 -6.714 -5.716 5.095 1.00 0.00 C ATOM 0 H VAL A 51 -6.405 -4.911 2.075 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.292 -5.895 3.865 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.132 -6.871 3.353 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.736 -8.430 5.215 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.645 -8.746 3.845 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.038 -7.903 5.290 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.540 -6.137 5.669 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.874 -5.516 5.761 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.035 -4.786 4.627 1.00 0.00 H new ATOM 795 N SER A 52 -3.453 -7.685 2.366 1.00 0.00 N ATOM 796 CA SER A 52 -2.900 -8.689 1.465 1.00 0.00 C ATOM 797 C SER A 52 -1.877 -9.562 2.186 1.00 0.00 C ATOM 798 O SER A 52 -1.094 -9.074 3.001 1.00 0.00 O ATOM 799 CB SER A 52 -2.251 -8.017 0.254 1.00 0.00 C ATOM 800 OG SER A 52 -2.109 -8.929 -0.821 1.00 0.00 O ATOM 0 H SER A 52 -2.834 -7.419 3.132 1.00 0.00 H new ATOM 0 HA SER A 52 -3.717 -9.324 1.124 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.857 -7.168 -0.063 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.273 -7.624 0.533 1.00 0.00 H new ATOM 0 HG SER A 52 -1.693 -8.474 -1.583 1.00 0.00 H new ATOM 806 N ASP A 53 -1.890 -10.854 1.880 1.00 0.00 N ATOM 807 CA ASP A 53 -0.964 -11.796 2.497 1.00 0.00 C ATOM 808 C ASP A 53 0.454 -11.586 1.973 1.00 0.00 C ATOM 809 O ASP A 53 1.431 -11.844 2.676 1.00 0.00 O ATOM 810 CB ASP A 53 -1.412 -13.234 2.231 1.00 0.00 C ATOM 811 CG ASP A 53 -1.888 -13.438 0.806 1.00 0.00 C ATOM 812 OD1 ASP A 53 -1.034 -13.642 -0.082 1.00 0.00 O ATOM 813 OD2 ASP A 53 -3.115 -13.393 0.580 1.00 0.00 O ATOM 0 H ASP A 53 -2.532 -11.274 1.208 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.965 -11.617 3.572 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.584 -13.913 2.435 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.215 -13.495 2.920 1.00 0.00 H new ATOM 818 N ARG A 54 0.557 -11.119 0.733 1.00 0.00 N ATOM 819 CA ARG A 54 1.855 -10.877 0.114 1.00 0.00 C ATOM 820 C ARG A 54 2.799 -10.176 1.086 1.00 0.00 C ATOM 821 O ARG A 54 4.019 -10.319 0.995 1.00 0.00 O ATOM 822 CB ARG A 54 1.690 -10.034 -1.152 1.00 0.00 C ATOM 823 CG ARG A 54 1.019 -10.777 -2.296 1.00 0.00 C ATOM 824 CD ARG A 54 1.784 -12.038 -2.666 1.00 0.00 C ATOM 825 NE ARG A 54 1.324 -12.607 -3.930 1.00 0.00 N ATOM 826 CZ ARG A 54 1.625 -13.835 -4.336 1.00 0.00 C ATOM 827 NH1 ARG A 54 2.382 -14.619 -3.582 1.00 0.00 N ATOM 828 NH2 ARG A 54 1.168 -14.281 -5.500 1.00 0.00 N ATOM 0 H ARG A 54 -0.242 -10.901 0.138 1.00 0.00 H new ATOM 0 HA ARG A 54 2.288 -11.841 -0.153 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.104 -9.146 -0.913 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.671 -9.690 -1.479 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.001 -11.039 -2.013 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.951 -10.123 -3.165 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.847 -11.809 -2.737 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.670 -12.777 -1.873 1.00 0.00 H new ATOM 0 HE ARG A 54 0.739 -12.029 -4.534 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.735 -14.280 -2.687 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.612 -15.562 -3.896 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.585 -13.680 -6.083 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.400 -15.224 -5.811 1.00 0.00 H new ATOM 842 N PHE A 55 2.227 -9.418 2.015 1.00 0.00 N ATOM 843 CA PHE A 55 3.018 -8.694 3.004 1.00 0.00 C ATOM 844 C PHE A 55 3.226 -9.537 4.258 1.00 0.00 C ATOM 845 O PHE A 55 3.197 -9.025 5.377 1.00 0.00 O ATOM 846 CB PHE A 55 2.332 -7.376 3.370 1.00 0.00 C ATOM 847 CG PHE A 55 2.082 -6.482 2.189 1.00 0.00 C ATOM 848 CD1 PHE A 55 1.117 -6.806 1.249 1.00 0.00 C ATOM 849 CD2 PHE A 55 2.813 -5.317 2.018 1.00 0.00 C ATOM 850 CE1 PHE A 55 0.886 -5.985 0.161 1.00 0.00 C ATOM 851 CE2 PHE A 55 2.586 -4.492 0.933 1.00 0.00 C ATOM 852 CZ PHE A 55 1.621 -4.827 0.004 1.00 0.00 C ATOM 0 H PHE A 55 1.219 -9.289 2.104 1.00 0.00 H new ATOM 0 HA PHE A 55 3.993 -8.480 2.566 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.382 -7.593 3.858 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.948 -6.844 4.094 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.539 -7.710 1.368 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.569 -5.051 2.742 1.00 0.00 H new ATOM 0 HE1 PHE A 55 0.132 -6.249 -0.565 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.162 -3.587 0.812 1.00 0.00 H new ATOM 0 HZ PHE A 55 1.441 -4.184 -0.845 1.00 0.00 H new ATOM 961 N ASN A 62 10.425 -2.719 1.289 1.00 0.00 N ATOM 962 CA ASN A 62 9.953 -3.449 0.118 1.00 0.00 C ATOM 963 C ASN A 62 8.437 -3.336 -0.018 1.00 0.00 C ATOM 964 O ASN A 62 7.905 -3.292 -1.127 1.00 0.00 O ATOM 965 CB ASN A 62 10.359 -4.921 0.211 1.00 0.00 C ATOM 966 CG ASN A 62 9.315 -5.767 0.913 1.00 0.00 C ATOM 967 OD1 ASN A 62 9.052 -5.587 2.103 1.00 0.00 O ATOM 968 ND2 ASN A 62 8.713 -6.695 0.179 1.00 0.00 N ATOM 0 HA ASN A 62 10.414 -3.007 -0.765 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.525 -5.313 -0.792 1.00 0.00 H new ATOM 0 HB3 ASN A 62 11.306 -5.001 0.745 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.001 -7.294 0.597 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.962 -6.809 -0.803 1.00 0.00 H new ATOM 975 N ARG A 63 7.748 -3.290 1.118 1.00 0.00 N ATOM 976 CA ARG A 63 6.294 -3.183 1.125 1.00 0.00 C ATOM 977 C ARG A 63 5.844 -1.855 0.525 1.00 0.00 C ATOM 978 O ARG A 63 4.933 -1.813 -0.303 1.00 0.00 O ATOM 979 CB ARG A 63 5.759 -3.317 2.552 1.00 0.00 C ATOM 980 CG ARG A 63 6.160 -4.616 3.233 1.00 0.00 C ATOM 981 CD ARG A 63 5.998 -4.526 4.743 1.00 0.00 C ATOM 982 NE ARG A 63 4.599 -4.628 5.150 1.00 0.00 N ATOM 983 CZ ARG A 63 4.212 -5.028 6.356 1.00 0.00 C ATOM 984 NH1 ARG A 63 5.114 -5.362 7.268 1.00 0.00 N ATOM 985 NH2 ARG A 63 2.920 -5.095 6.651 1.00 0.00 N ATOM 0 H ARG A 63 8.173 -3.325 2.045 1.00 0.00 H new ATOM 0 HA ARG A 63 5.892 -3.992 0.515 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.120 -2.478 3.147 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.671 -3.248 2.531 1.00 0.00 H new ATOM 0 HG2 ARG A 63 5.550 -5.433 2.848 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.196 -4.851 2.990 1.00 0.00 H new ATOM 0 HD2 ARG A 63 6.573 -5.322 5.217 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.410 -3.581 5.096 1.00 0.00 H new ATOM 0 HE ARG A 63 3.880 -4.378 4.471 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.108 -5.312 7.044 1.00 0.00 H new ATOM 0 HH12 ARG A 63 4.814 -5.669 8.193 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.223 -4.839 5.951 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.624 -5.402 7.577 1.00 0.00 H new ATOM 999 N HIS A 64 6.487 -0.771 0.948 1.00 0.00 N ATOM 1000 CA HIS A 64 6.153 0.559 0.452 1.00 0.00 C ATOM 1001 C HIS A 64 6.434 0.668 -1.044 1.00 0.00 C ATOM 1002 O HIS A 64 5.513 0.792 -1.851 1.00 0.00 O ATOM 1003 CB HIS A 64 6.946 1.624 1.211 1.00 0.00 C ATOM 1004 CG HIS A 64 6.418 1.898 2.585 1.00 0.00 C ATOM 1005 ND1 HIS A 64 5.413 2.807 2.837 1.00 0.00 N ATOM 1006 CD2 HIS A 64 6.760 1.375 3.786 1.00 0.00 C ATOM 1007 CE1 HIS A 64 5.161 2.833 4.134 1.00 0.00 C ATOM 1008 NE2 HIS A 64 5.965 1.973 4.732 1.00 0.00 N ATOM 0 H HIS A 64 7.242 -0.788 1.633 1.00 0.00 H new ATOM 0 HA HIS A 64 5.088 0.724 0.616 1.00 0.00 H new ATOM 0 HB2 HIS A 64 7.986 1.306 1.287 1.00 0.00 H new ATOM 0 HB3 HIS A 64 6.937 2.550 0.636 1.00 0.00 H new ATOM 0 HD2 HIS A 64 7.517 0.627 3.966 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.423 3.452 4.622 1.00 0.00 H new ATOM 0 HE2 HIS A 64 5.991 1.784 5.734 1.00 0.00 H new ATOM 1017 N ARG A 65 7.712 0.621 -1.405 1.00 0.00 N ATOM 1018 CA ARG A 65 8.114 0.716 -2.803 1.00 0.00 C ATOM 1019 C ARG A 65 7.098 0.028 -3.710 1.00 0.00 C ATOM 1020 O ARG A 65 6.760 0.536 -4.778 1.00 0.00 O ATOM 1021 CB ARG A 65 9.497 0.092 -3.002 1.00 0.00 C ATOM 1022 CG ARG A 65 9.531 -1.406 -2.746 1.00 0.00 C ATOM 1023 CD ARG A 65 10.932 -1.970 -2.927 1.00 0.00 C ATOM 1024 NE ARG A 65 10.909 -3.383 -3.296 1.00 0.00 N ATOM 1025 CZ ARG A 65 10.581 -3.820 -4.507 1.00 0.00 C ATOM 1026 NH1 ARG A 65 10.251 -2.960 -5.460 1.00 0.00 N ATOM 1027 NH2 ARG A 65 10.584 -5.122 -4.767 1.00 0.00 N ATOM 0 H ARG A 65 8.486 0.518 -0.749 1.00 0.00 H new ATOM 0 HA ARG A 65 8.157 1.772 -3.071 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.831 0.286 -4.022 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.207 0.582 -2.336 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.183 -1.611 -1.734 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.844 -1.908 -3.427 1.00 0.00 H new ATOM 0 HD2 ARG A 65 11.455 -1.403 -3.697 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.495 -1.846 -2.002 1.00 0.00 H new ATOM 0 HE ARG A 65 11.158 -4.071 -2.586 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.248 -1.959 -5.265 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.000 -3.299 -6.389 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.838 -5.787 -4.037 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.332 -5.457 -5.697 1.00 0.00 H new ATOM 1041 N MET A 66 6.616 -1.132 -3.275 1.00 0.00 N ATOM 1042 CA MET A 66 5.638 -1.890 -4.047 1.00 0.00 C ATOM 1043 C MET A 66 4.412 -1.038 -4.358 1.00 0.00 C ATOM 1044 O MET A 66 4.028 -0.887 -5.518 1.00 0.00 O ATOM 1045 CB MET A 66 5.219 -3.148 -3.284 1.00 0.00 C ATOM 1046 CG MET A 66 6.127 -4.342 -3.534 1.00 0.00 C ATOM 1047 SD MET A 66 5.260 -5.916 -3.391 1.00 0.00 S ATOM 1048 CE MET A 66 5.281 -6.154 -1.616 1.00 0.00 C ATOM 0 H MET A 66 6.886 -1.567 -2.393 1.00 0.00 H new ATOM 0 HA MET A 66 6.103 -2.183 -4.988 1.00 0.00 H new ATOM 0 HB2 MET A 66 5.207 -2.928 -2.216 1.00 0.00 H new ATOM 0 HB3 MET A 66 4.200 -3.412 -3.567 1.00 0.00 H new ATOM 0 HG2 MET A 66 6.562 -4.260 -4.530 1.00 0.00 H new ATOM 0 HG3 MET A 66 6.953 -4.321 -2.823 1.00 0.00 H new ATOM 0 HE1 MET A 66 4.780 -7.090 -1.368 1.00 0.00 H new ATOM 0 HE2 MET A 66 6.313 -6.191 -1.266 1.00 0.00 H new ATOM 0 HE3 MET A 66 4.763 -5.326 -1.132 1.00 0.00 H new ATOM 1058 N ILE A 67 3.803 -0.483 -3.316 1.00 0.00 N ATOM 1059 CA ILE A 67 2.621 0.355 -3.479 1.00 0.00 C ATOM 1060 C ILE A 67 2.951 1.625 -4.255 1.00 0.00 C ATOM 1061 O ILE A 67 2.348 1.907 -5.291 1.00 0.00 O ATOM 1062 CB ILE A 67 2.013 0.741 -2.118 1.00 0.00 C ATOM 1063 CG1 ILE A 67 1.811 -0.505 -1.253 1.00 0.00 C ATOM 1064 CG2 ILE A 67 0.694 1.474 -2.317 1.00 0.00 C ATOM 1065 CD1 ILE A 67 0.690 -1.399 -1.735 1.00 0.00 C ATOM 0 H ILE A 67 4.108 -0.598 -2.350 1.00 0.00 H new ATOM 0 HA ILE A 67 1.893 -0.231 -4.039 1.00 0.00 H new ATOM 0 HB ILE A 67 2.704 1.409 -1.604 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.738 -1.078 -1.232 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.604 -0.197 -0.228 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.276 1.741 -1.346 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.865 2.379 -2.899 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.005 0.828 -2.848 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.604 -2.262 -1.075 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.247 -0.843 -1.729 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.905 -1.737 -2.749 1.00 0.00 H new ATOM 1077 N TYR A 68 3.913 2.388 -3.748 1.00 0.00 N ATOM 1078 CA TYR A 68 4.324 3.630 -4.393 1.00 0.00 C ATOM 1079 C TYR A 68 4.587 3.410 -5.880 1.00 0.00 C ATOM 1080 O TYR A 68 3.935 4.012 -6.733 1.00 0.00 O ATOM 1081 CB TYR A 68 5.578 4.189 -3.719 1.00 0.00 C ATOM 1082 CG TYR A 68 5.315 4.794 -2.358 1.00 0.00 C ATOM 1083 CD1 TYR A 68 4.244 5.656 -2.155 1.00 0.00 C ATOM 1084 CD2 TYR A 68 6.137 4.504 -1.277 1.00 0.00 C ATOM 1085 CE1 TYR A 68 4.001 6.211 -0.913 1.00 0.00 C ATOM 1086 CE2 TYR A 68 5.900 5.053 -0.032 1.00 0.00 C ATOM 1087 CZ TYR A 68 4.831 5.907 0.145 1.00 0.00 C ATOM 1088 OH TYR A 68 4.593 6.457 1.383 1.00 0.00 O ATOM 0 H TYR A 68 4.423 2.168 -2.892 1.00 0.00 H new ATOM 0 HA TYR A 68 3.512 4.350 -4.288 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.312 3.390 -3.616 1.00 0.00 H new ATOM 0 HB3 TYR A 68 6.020 4.947 -4.365 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.591 5.896 -2.981 1.00 0.00 H new ATOM 0 HD2 TYR A 68 6.976 3.838 -1.412 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.165 6.880 -0.772 1.00 0.00 H new ATOM 0 HE2 TYR A 68 6.548 4.815 0.799 1.00 0.00 H new ATOM 0 HH TYR A 68 5.269 6.140 2.017 1.00 0.00 H new ATOM 1098 N SER A 69 5.548 2.543 -6.182 1.00 0.00 N ATOM 1099 CA SER A 69 5.901 2.244 -7.565 1.00 0.00 C ATOM 1100 C SER A 69 4.661 2.241 -8.454 1.00 0.00 C ATOM 1101 O SER A 69 4.677 2.771 -9.565 1.00 0.00 O ATOM 1102 CB SER A 69 6.609 0.891 -7.653 1.00 0.00 C ATOM 1103 OG SER A 69 7.155 0.683 -8.943 1.00 0.00 O ATOM 0 H SER A 69 6.096 2.035 -5.488 1.00 0.00 H new ATOM 0 HA SER A 69 6.577 3.023 -7.917 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.402 0.843 -6.907 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.904 0.093 -7.420 1.00 0.00 H new ATOM 0 HG SER A 69 7.603 -0.188 -8.972 1.00 0.00 H new ATOM 1109 N THR A 70 3.585 1.639 -7.956 1.00 0.00 N ATOM 1110 CA THR A 70 2.337 1.565 -8.704 1.00 0.00 C ATOM 1111 C THR A 70 1.796 2.957 -9.011 1.00 0.00 C ATOM 1112 O THR A 70 1.416 3.249 -10.146 1.00 0.00 O ATOM 1113 CB THR A 70 1.266 0.770 -7.932 1.00 0.00 C ATOM 1114 OG1 THR A 70 1.823 -0.457 -7.446 1.00 0.00 O ATOM 1115 CG2 THR A 70 0.068 0.472 -8.821 1.00 0.00 C ATOM 0 H THR A 70 3.553 1.196 -7.038 1.00 0.00 H new ATOM 0 HA THR A 70 2.559 1.050 -9.639 1.00 0.00 H new ATOM 0 HB THR A 70 0.932 1.376 -7.090 1.00 0.00 H new ATOM 0 HG1 THR A 70 2.360 -0.278 -6.646 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.675 -0.090 -8.255 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.371 1.408 -9.166 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.390 -0.116 -9.680 1.00 0.00 H new ATOM 1123 N LEU A 71 1.765 3.812 -7.995 1.00 0.00 N ATOM 1124 CA LEU A 71 1.271 5.175 -8.158 1.00 0.00 C ATOM 1125 C LEU A 71 2.400 6.186 -7.990 1.00 0.00 C ATOM 1126 O LEU A 71 2.199 7.272 -7.447 1.00 0.00 O ATOM 1127 CB LEU A 71 0.161 5.460 -7.144 1.00 0.00 C ATOM 1128 CG LEU A 71 -1.018 4.487 -7.149 1.00 0.00 C ATOM 1129 CD1 LEU A 71 -1.663 4.424 -5.773 1.00 0.00 C ATOM 1130 CD2 LEU A 71 -2.040 4.892 -8.201 1.00 0.00 C ATOM 0 H LEU A 71 2.076 3.586 -7.050 1.00 0.00 H new ATOM 0 HA LEU A 71 0.868 5.272 -9.166 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.600 5.463 -6.146 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.222 6.464 -7.327 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.644 3.494 -7.399 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.500 3.727 -5.795 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.929 4.086 -5.042 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.023 5.414 -5.494 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.872 4.188 -8.190 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.410 5.894 -7.983 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.572 4.885 -9.185 1.00 0.00 H new ATOM 1142 N ALA A 72 3.588 5.823 -8.463 1.00 0.00 N ATOM 1143 CA ALA A 72 4.748 6.700 -8.370 1.00 0.00 C ATOM 1144 C ALA A 72 4.389 8.130 -8.761 1.00 0.00 C ATOM 1145 O ALA A 72 4.429 9.038 -7.931 1.00 0.00 O ATOM 1146 CB ALA A 72 5.876 6.179 -9.247 1.00 0.00 C ATOM 0 H ALA A 72 3.772 4.927 -8.915 1.00 0.00 H new ATOM 0 HA ALA A 72 5.083 6.708 -7.333 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.736 6.844 -9.167 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.159 5.179 -8.919 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.542 6.140 -10.284 1.00 0.00 H new ATOM 1152 N GLU A 73 4.038 8.321 -10.028 1.00 0.00 N ATOM 1153 CA GLU A 73 3.673 9.642 -10.528 1.00 0.00 C ATOM 1154 C GLU A 73 2.181 9.902 -10.339 1.00 0.00 C ATOM 1155 O GLU A 73 1.756 11.046 -10.183 1.00 0.00 O ATOM 1156 CB GLU A 73 4.040 9.771 -12.008 1.00 0.00 C ATOM 1157 CG GLU A 73 5.517 10.035 -12.248 1.00 0.00 C ATOM 1158 CD GLU A 73 6.361 8.781 -12.130 1.00 0.00 C ATOM 1159 OE1 GLU A 73 5.887 7.705 -12.548 1.00 0.00 O ATOM 1160 OE2 GLU A 73 7.497 8.878 -11.618 1.00 0.00 O ATOM 0 H GLU A 73 3.998 7.579 -10.727 1.00 0.00 H new ATOM 0 HA GLU A 73 4.230 10.385 -9.957 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.754 8.855 -12.526 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.458 10.581 -12.449 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.649 10.465 -13.241 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.871 10.775 -11.531 1.00 0.00 H new ATOM 1167 N GLU A 74 1.393 8.831 -10.353 1.00 0.00 N ATOM 1168 CA GLU A 74 -0.051 8.944 -10.184 1.00 0.00 C ATOM 1169 C GLU A 74 -0.391 9.765 -8.944 1.00 0.00 C ATOM 1170 O GLU A 74 -0.877 10.893 -9.046 1.00 0.00 O ATOM 1171 CB GLU A 74 -0.685 7.556 -10.080 1.00 0.00 C ATOM 1172 CG GLU A 74 -0.545 6.726 -11.345 1.00 0.00 C ATOM 1173 CD GLU A 74 -1.619 5.662 -11.467 1.00 0.00 C ATOM 1174 OE1 GLU A 74 -2.767 5.928 -11.053 1.00 0.00 O ATOM 1175 OE2 GLU A 74 -1.311 4.564 -11.976 1.00 0.00 O ATOM 0 H GLU A 74 1.730 7.877 -10.479 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.454 9.455 -11.058 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.227 7.018 -9.250 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.743 7.666 -9.843 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.590 7.383 -12.213 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.436 6.250 -11.356 1.00 0.00 H new ATOM 1182 N LEU A 75 -0.132 9.193 -7.774 1.00 0.00 N ATOM 1183 CA LEU A 75 -0.411 9.870 -6.512 1.00 0.00 C ATOM 1184 C LEU A 75 0.369 11.178 -6.412 1.00 0.00 C ATOM 1185 O LEU A 75 -0.144 12.181 -5.917 1.00 0.00 O ATOM 1186 CB LEU A 75 -0.057 8.962 -5.333 1.00 0.00 C ATOM 1187 CG LEU A 75 1.434 8.786 -5.045 1.00 0.00 C ATOM 1188 CD1 LEU A 75 1.921 9.858 -4.083 1.00 0.00 C ATOM 1189 CD2 LEU A 75 1.709 7.399 -4.484 1.00 0.00 C ATOM 0 H LEU A 75 0.271 8.262 -7.672 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.476 10.099 -6.479 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.535 9.360 -4.438 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.490 7.978 -5.515 1.00 0.00 H new ATOM 0 HG LEU A 75 1.981 8.892 -5.982 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.984 9.717 -3.889 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.759 10.842 -4.523 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.369 9.784 -3.146 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.775 7.292 -4.285 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.152 7.264 -3.557 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.397 6.646 -5.207 1.00 0.00 H new ATOM 1201 N SER A 76 1.609 11.159 -6.888 1.00 0.00 N ATOM 1202 CA SER A 76 2.460 12.343 -6.852 1.00 0.00 C ATOM 1203 C SER A 76 1.799 13.510 -7.577 1.00 0.00 C ATOM 1204 O SER A 76 2.094 14.674 -7.305 1.00 0.00 O ATOM 1205 CB SER A 76 3.820 12.039 -7.484 1.00 0.00 C ATOM 1206 OG SER A 76 4.737 11.558 -6.516 1.00 0.00 O ATOM 0 H SER A 76 2.047 10.337 -7.303 1.00 0.00 H new ATOM 0 HA SER A 76 2.606 12.623 -5.809 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.700 11.298 -8.275 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.218 12.941 -7.950 1.00 0.00 H new ATOM 0 HG SER A 76 4.925 10.611 -6.686 1.00 0.00 H new ATOM 1212 N THR A 77 0.901 13.190 -8.504 1.00 0.00 N ATOM 1213 CA THR A 77 0.197 14.211 -9.271 1.00 0.00 C ATOM 1214 C THR A 77 -0.302 15.332 -8.367 1.00 0.00 C ATOM 1215 O THR A 77 0.138 16.476 -8.479 1.00 0.00 O ATOM 1216 CB THR A 77 -0.998 13.613 -10.037 1.00 0.00 C ATOM 1217 OG1 THR A 77 -0.550 12.569 -10.908 1.00 0.00 O ATOM 1218 CG2 THR A 77 -1.712 14.685 -10.847 1.00 0.00 C ATOM 0 H THR A 77 0.644 12.232 -8.742 1.00 0.00 H new ATOM 0 HA THR A 77 0.911 14.617 -9.987 1.00 0.00 H new ATOM 0 HB THR A 77 -1.698 13.202 -9.310 1.00 0.00 H new ATOM 0 HG1 THR A 77 -0.245 11.806 -10.374 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.552 14.239 -11.379 1.00 0.00 H new ATOM 0 HG22 THR A 77 -2.078 15.463 -10.178 1.00 0.00 H new ATOM 0 HG23 THR A 77 -1.018 15.121 -11.565 1.00 0.00 H new ATOM 1226 N THR A 78 -1.223 14.996 -7.469 1.00 0.00 N ATOM 1227 CA THR A 78 -1.782 15.974 -6.545 1.00 0.00 C ATOM 1228 C THR A 78 -1.486 15.597 -5.098 1.00 0.00 C ATOM 1229 O THR A 78 -1.357 16.463 -4.234 1.00 0.00 O ATOM 1230 CB THR A 78 -3.305 16.111 -6.726 1.00 0.00 C ATOM 1231 OG1 THR A 78 -3.831 17.042 -5.773 1.00 0.00 O ATOM 1232 CG2 THR A 78 -3.993 14.765 -6.561 1.00 0.00 C ATOM 0 H THR A 78 -1.597 14.053 -7.362 1.00 0.00 H new ATOM 0 HA THR A 78 -1.309 16.929 -6.772 1.00 0.00 H new ATOM 0 HB THR A 78 -3.497 16.478 -7.734 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.800 17.124 -5.896 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.068 14.887 -6.693 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.613 14.068 -7.308 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.792 14.374 -5.564 1.00 0.00 H new ATOM 1240 N VAL A 79 -1.378 14.297 -4.841 1.00 0.00 N ATOM 1241 CA VAL A 79 -1.095 13.804 -3.498 1.00 0.00 C ATOM 1242 C VAL A 79 0.406 13.761 -3.234 1.00 0.00 C ATOM 1243 O VAL A 79 1.168 13.187 -4.012 1.00 0.00 O ATOM 1244 CB VAL A 79 -1.684 12.398 -3.281 1.00 0.00 C ATOM 1245 CG1 VAL A 79 -1.265 11.847 -1.926 1.00 0.00 C ATOM 1246 CG2 VAL A 79 -3.199 12.429 -3.407 1.00 0.00 C ATOM 0 H VAL A 79 -1.482 13.566 -5.545 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.564 14.498 -2.800 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.292 11.736 -4.053 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.691 10.853 -1.790 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.178 11.786 -1.878 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.626 12.507 -1.137 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.598 11.427 -3.251 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.613 13.105 -2.659 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.474 12.778 -4.402 1.00 0.00 H new ATOM 1256 N HIS A 80 0.824 14.372 -2.130 1.00 0.00 N ATOM 1257 CA HIS A 80 2.235 14.403 -1.761 1.00 0.00 C ATOM 1258 C HIS A 80 2.572 13.262 -0.806 1.00 0.00 C ATOM 1259 O HIS A 80 3.532 12.523 -1.021 1.00 0.00 O ATOM 1260 CB HIS A 80 2.586 15.745 -1.116 1.00 0.00 C ATOM 1261 CG HIS A 80 4.048 15.909 -0.833 1.00 0.00 C ATOM 1262 ND1 HIS A 80 4.940 16.417 -1.754 1.00 0.00 N ATOM 1263 CD2 HIS A 80 4.772 15.631 0.276 1.00 0.00 C ATOM 1264 CE1 HIS A 80 6.150 16.442 -1.224 1.00 0.00 C ATOM 1265 NE2 HIS A 80 6.075 15.971 0.008 1.00 0.00 N ATOM 0 H HIS A 80 0.206 14.852 -1.476 1.00 0.00 H new ATOM 0 HA HIS A 80 2.826 14.279 -2.669 1.00 0.00 H new ATOM 0 HB2 HIS A 80 2.259 16.551 -1.773 1.00 0.00 H new ATOM 0 HB3 HIS A 80 2.030 15.847 -0.184 1.00 0.00 H new ATOM 0 HD2 HIS A 80 4.395 15.218 1.200 1.00 0.00 H new ATOM 0 HE1 HIS A 80 7.048 16.789 -1.714 1.00 0.00 H new ATOM 0 HE2 HIS A 80 6.858 15.875 0.655 1.00 0.00 H new ATOM 1274 N ALA A 81 1.777 13.126 0.250 1.00 0.00 N ATOM 1275 CA ALA A 81 1.990 12.075 1.237 1.00 0.00 C ATOM 1276 C ALA A 81 0.727 11.244 1.435 1.00 0.00 C ATOM 1277 O ALA A 81 -0.382 11.707 1.167 1.00 0.00 O ATOM 1278 CB ALA A 81 2.442 12.676 2.559 1.00 0.00 C ATOM 0 H ALA A 81 0.979 13.731 0.444 1.00 0.00 H new ATOM 0 HA ALA A 81 2.773 11.414 0.865 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.597 11.879 3.287 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.375 13.220 2.411 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.678 13.360 2.928 1.00 0.00 H new ATOM 1284 N LEU A 82 0.902 10.014 1.907 1.00 0.00 N ATOM 1285 CA LEU A 82 -0.225 9.117 2.141 1.00 0.00 C ATOM 1286 C LEU A 82 0.164 7.993 3.096 1.00 0.00 C ATOM 1287 O LEU A 82 1.215 7.371 2.943 1.00 0.00 O ATOM 1288 CB LEU A 82 -0.718 8.530 0.818 1.00 0.00 C ATOM 1289 CG LEU A 82 -1.711 7.373 0.926 1.00 0.00 C ATOM 1290 CD1 LEU A 82 -2.962 7.810 1.673 1.00 0.00 C ATOM 1291 CD2 LEU A 82 -2.071 6.847 -0.456 1.00 0.00 C ATOM 0 H LEU A 82 1.813 9.615 2.135 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.029 9.694 2.597 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.183 9.329 0.240 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.147 8.188 0.250 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.239 6.567 1.488 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.657 6.973 1.740 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.691 8.137 2.677 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.436 8.633 1.139 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.779 6.024 -0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.523 7.647 -1.043 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.170 6.493 -0.957 1.00 0.00 H new ATOM 1303 N ALA A 83 -0.692 7.737 4.079 1.00 0.00 N ATOM 1304 CA ALA A 83 -0.440 6.684 5.056 1.00 0.00 C ATOM 1305 C ALA A 83 -0.964 5.340 4.562 1.00 0.00 C ATOM 1306 O ALA A 83 -2.156 5.050 4.666 1.00 0.00 O ATOM 1307 CB ALA A 83 -1.076 7.041 6.392 1.00 0.00 C ATOM 0 H ALA A 83 -1.566 8.244 4.220 1.00 0.00 H new ATOM 0 HA ALA A 83 0.638 6.597 5.190 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.880 6.246 7.112 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.652 7.976 6.759 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.152 7.157 6.263 1.00 0.00 H new ATOM 1313 N LEU A 84 -0.066 4.523 4.023 1.00 0.00 N ATOM 1314 CA LEU A 84 -0.437 3.208 3.512 1.00 0.00 C ATOM 1315 C LEU A 84 -0.573 2.200 4.648 1.00 0.00 C ATOM 1316 O LEU A 84 0.378 1.954 5.391 1.00 0.00 O ATOM 1317 CB LEU A 84 0.604 2.719 2.503 1.00 0.00 C ATOM 1318 CG LEU A 84 0.976 3.702 1.393 1.00 0.00 C ATOM 1319 CD1 LEU A 84 2.098 3.138 0.534 1.00 0.00 C ATOM 1320 CD2 LEU A 84 -0.240 4.028 0.538 1.00 0.00 C ATOM 0 H LEU A 84 0.924 4.748 3.928 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.403 3.298 3.014 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.511 2.455 3.046 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.232 1.805 2.041 1.00 0.00 H new ATOM 0 HG LEU A 84 1.328 4.624 1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.349 3.852 -0.251 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.976 2.957 1.155 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.774 2.201 0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.044 4.729 -0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.623 3.113 0.086 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.014 4.476 1.162 1.00 0.00 H new ATOM 1332 N HIS A 85 -1.761 1.617 4.777 1.00 0.00 N ATOM 1333 CA HIS A 85 -2.020 0.633 5.822 1.00 0.00 C ATOM 1334 C HIS A 85 -2.075 -0.776 5.239 1.00 0.00 C ATOM 1335 O HIS A 85 -3.112 -1.213 4.739 1.00 0.00 O ATOM 1336 CB HIS A 85 -3.333 0.953 6.538 1.00 0.00 C ATOM 1337 CG HIS A 85 -3.176 1.913 7.676 1.00 0.00 C ATOM 1338 ND1 HIS A 85 -2.174 1.806 8.618 1.00 0.00 N ATOM 1339 CD2 HIS A 85 -3.899 3.003 8.021 1.00 0.00 C ATOM 1340 CE1 HIS A 85 -2.289 2.789 9.494 1.00 0.00 C ATOM 1341 NE2 HIS A 85 -3.328 3.530 9.154 1.00 0.00 N ATOM 0 H HIS A 85 -2.559 1.809 4.171 1.00 0.00 H new ATOM 0 HA HIS A 85 -1.202 0.678 6.541 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -4.038 1.368 5.818 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -3.768 0.026 6.912 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -4.765 3.388 7.502 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -1.643 2.958 10.343 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -3.654 4.359 9.652 1.00 0.00 H new ATOM 1350 N THR A 86 -0.951 -1.483 5.306 1.00 0.00 N ATOM 1351 CA THR A 86 -0.870 -2.841 4.784 1.00 0.00 C ATOM 1352 C THR A 86 -0.985 -3.869 5.904 1.00 0.00 C ATOM 1353 O THR A 86 -0.180 -3.878 6.836 1.00 0.00 O ATOM 1354 CB THR A 86 0.449 -3.073 4.023 1.00 0.00 C ATOM 1355 OG1 THR A 86 1.563 -2.789 4.877 1.00 0.00 O ATOM 1356 CG2 THR A 86 0.519 -2.197 2.781 1.00 0.00 C ATOM 0 H THR A 86 -0.084 -1.137 5.717 1.00 0.00 H new ATOM 0 HA THR A 86 -1.705 -2.964 4.094 1.00 0.00 H new ATOM 0 HB THR A 86 0.486 -4.117 3.713 1.00 0.00 H new ATOM 0 HG1 THR A 86 1.319 -2.979 5.807 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.459 -2.378 2.260 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.314 -2.436 2.120 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.462 -1.148 3.072 1.00 0.00 H new ATOM 1364 N TYR A 87 -1.989 -4.733 5.807 1.00 0.00 N ATOM 1365 CA TYR A 87 -2.209 -5.764 6.814 1.00 0.00 C ATOM 1366 C TYR A 87 -2.496 -7.113 6.159 1.00 0.00 C ATOM 1367 O TYR A 87 -2.798 -7.187 4.968 1.00 0.00 O ATOM 1368 CB TYR A 87 -3.370 -5.373 7.729 1.00 0.00 C ATOM 1369 CG TYR A 87 -3.097 -4.140 8.560 1.00 0.00 C ATOM 1370 CD1 TYR A 87 -2.892 -2.904 7.959 1.00 0.00 C ATOM 1371 CD2 TYR A 87 -3.042 -4.210 9.947 1.00 0.00 C ATOM 1372 CE1 TYR A 87 -2.640 -1.775 8.713 1.00 0.00 C ATOM 1373 CE2 TYR A 87 -2.793 -3.085 10.710 1.00 0.00 C ATOM 1374 CZ TYR A 87 -2.593 -1.870 10.089 1.00 0.00 C ATOM 1375 OH TYR A 87 -2.343 -0.748 10.845 1.00 0.00 O ATOM 0 H TYR A 87 -2.663 -4.740 5.042 1.00 0.00 H new ATOM 0 HA TYR A 87 -1.300 -5.855 7.409 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.259 -5.202 7.121 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -3.594 -6.207 8.394 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -2.930 -2.825 6.883 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -3.197 -5.160 10.437 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -2.481 -0.823 8.229 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -2.755 -3.157 11.787 1.00 0.00 H new ATOM 0 HH TYR A 87 -2.296 0.037 10.260 1.00 0.00 H new ATOM 1385 N THR A 88 -2.399 -8.179 6.948 1.00 0.00 N ATOM 1386 CA THR A 88 -2.646 -9.525 6.447 1.00 0.00 C ATOM 1387 C THR A 88 -4.007 -10.039 6.902 1.00 0.00 C ATOM 1388 O THR A 88 -4.763 -9.323 7.560 1.00 0.00 O ATOM 1389 CB THR A 88 -1.556 -10.507 6.915 1.00 0.00 C ATOM 1390 OG1 THR A 88 -1.590 -10.634 8.341 1.00 0.00 O ATOM 1391 CG2 THR A 88 -0.178 -10.036 6.476 1.00 0.00 C ATOM 0 H THR A 88 -2.151 -8.136 7.936 1.00 0.00 H new ATOM 0 HA THR A 88 -2.628 -9.466 5.359 1.00 0.00 H new ATOM 0 HB THR A 88 -1.753 -11.477 6.459 1.00 0.00 H new ATOM 0 HG1 THR A 88 -0.895 -11.261 8.630 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.575 -10.746 6.818 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.146 -9.969 5.389 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.026 -9.055 6.906 1.00 0.00 H new ATOM 1399 N ILE A 89 -4.313 -11.283 6.548 1.00 0.00 N ATOM 1400 CA ILE A 89 -5.583 -11.892 6.923 1.00 0.00 C ATOM 1401 C ILE A 89 -5.616 -12.223 8.411 1.00 0.00 C ATOM 1402 O ILE A 89 -6.640 -12.054 9.073 1.00 0.00 O ATOM 1403 CB ILE A 89 -5.849 -13.177 6.117 1.00 0.00 C ATOM 1404 CG1 ILE A 89 -5.865 -12.871 4.618 1.00 0.00 C ATOM 1405 CG2 ILE A 89 -7.165 -13.809 6.547 1.00 0.00 C ATOM 1406 CD1 ILE A 89 -4.486 -12.814 3.998 1.00 0.00 C ATOM 0 H ILE A 89 -3.699 -11.888 6.003 1.00 0.00 H new ATOM 0 HA ILE A 89 -6.362 -11.163 6.698 1.00 0.00 H new ATOM 0 HB ILE A 89 -5.045 -13.886 6.316 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -6.453 -13.633 4.106 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -6.367 -11.917 4.455 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -7.339 -14.716 5.968 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -7.120 -14.058 7.607 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -7.980 -13.106 6.374 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -4.574 -12.593 2.934 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.901 -12.033 4.484 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -3.988 -13.775 4.129 1.00 0.00 H new ATOM 1418 N LYS A 90 -4.489 -12.695 8.932 1.00 0.00 N ATOM 1419 CA LYS A 90 -4.386 -13.047 10.343 1.00 0.00 C ATOM 1420 C LYS A 90 -4.230 -11.798 11.206 1.00 0.00 C ATOM 1421 O LYS A 90 -5.092 -11.490 12.028 1.00 0.00 O ATOM 1422 CB LYS A 90 -3.200 -13.988 10.570 1.00 0.00 C ATOM 1423 CG LYS A 90 -2.597 -13.881 11.960 1.00 0.00 C ATOM 1424 CD LYS A 90 -3.572 -14.347 13.029 1.00 0.00 C ATOM 1425 CE LYS A 90 -3.176 -13.835 14.405 1.00 0.00 C ATOM 1426 NZ LYS A 90 -3.789 -12.512 14.703 1.00 0.00 N ATOM 0 H LYS A 90 -3.633 -12.843 8.398 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.306 -13.555 10.633 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.524 -15.015 10.402 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.429 -13.772 9.831 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.688 -14.480 12.010 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.309 -12.848 12.154 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.575 -13.998 12.785 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.607 -15.436 13.041 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -3.483 -14.556 15.163 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.091 -13.754 14.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -3.051 -11.851 15.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -4.243 -12.138 13.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -4.502 -12.621 15.452 1.00 0.00 H new ATOM 1440 N GLU A 91 -3.126 -11.084 11.010 1.00 0.00 N ATOM 1441 CA GLU A 91 -2.859 -9.869 11.771 1.00 0.00 C ATOM 1442 C GLU A 91 -4.139 -9.064 11.977 1.00 0.00 C ATOM 1443 O GLU A 91 -4.376 -8.521 13.056 1.00 0.00 O ATOM 1444 CB GLU A 91 -1.814 -9.011 11.054 1.00 0.00 C ATOM 1445 CG GLU A 91 -0.384 -9.466 11.295 1.00 0.00 C ATOM 1446 CD GLU A 91 0.243 -8.802 12.505 1.00 0.00 C ATOM 1447 OE1 GLU A 91 -0.480 -8.578 13.499 1.00 0.00 O ATOM 1448 OE2 GLU A 91 1.455 -8.508 12.460 1.00 0.00 O ATOM 0 H GLU A 91 -2.403 -11.325 10.332 1.00 0.00 H new ATOM 0 HA GLU A 91 -2.472 -10.160 12.748 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.016 -9.027 9.983 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.918 -7.977 11.383 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.369 -10.548 11.430 1.00 0.00 H new ATOM 0 HG3 GLU A 91 0.217 -9.246 10.413 1.00 0.00 H new ATOM 1455 N TRP A 92 -4.959 -8.991 10.935 1.00 0.00 N ATOM 1456 CA TRP A 92 -6.214 -8.252 11.001 1.00 0.00 C ATOM 1457 C TRP A 92 -7.277 -9.049 11.750 1.00 0.00 C ATOM 1458 O TRP A 92 -7.956 -8.520 12.629 1.00 0.00 O ATOM 1459 CB TRP A 92 -6.708 -7.919 9.592 1.00 0.00 C ATOM 1460 CG TRP A 92 -7.668 -6.768 9.555 1.00 0.00 C ATOM 1461 CD1 TRP A 92 -8.901 -6.748 8.967 1.00 0.00 C ATOM 1462 CD2 TRP A 92 -7.474 -5.471 10.129 1.00 0.00 C ATOM 1463 NE1 TRP A 92 -9.484 -5.516 9.141 1.00 0.00 N ATOM 1464 CE2 TRP A 92 -8.629 -4.715 9.852 1.00 0.00 C ATOM 1465 CE3 TRP A 92 -6.437 -4.876 10.853 1.00 0.00 C ATOM 1466 CZ2 TRP A 92 -8.773 -3.395 10.271 1.00 0.00 C ATOM 1467 CZ3 TRP A 92 -6.581 -3.566 11.268 1.00 0.00 C ATOM 1468 CH2 TRP A 92 -7.743 -2.837 10.977 1.00 0.00 C ATOM 0 H TRP A 92 -4.777 -9.434 10.035 1.00 0.00 H new ATOM 0 HA TRP A 92 -6.032 -7.325 11.544 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -5.851 -7.688 8.959 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -7.190 -8.799 9.167 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -9.351 -7.578 8.443 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -10.404 -5.242 8.797 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -5.539 -5.430 11.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -9.667 -2.832 10.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -5.785 -3.095 11.826 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -7.826 -1.815 11.317 1.00 0.00 H new ATOM 1479 N GLU A 93 -7.413 -10.323 11.397 1.00 0.00 N ATOM 1480 CA GLU A 93 -8.394 -11.191 12.037 1.00 0.00 C ATOM 1481 C GLU A 93 -8.481 -10.904 13.533 1.00 0.00 C ATOM 1482 O GLU A 93 -9.515 -11.129 14.161 1.00 0.00 O ATOM 1483 CB GLU A 93 -8.033 -12.661 11.809 1.00 0.00 C ATOM 1484 CG GLU A 93 -8.655 -13.252 10.555 1.00 0.00 C ATOM 1485 CD GLU A 93 -10.014 -13.873 10.814 1.00 0.00 C ATOM 1486 OE1 GLU A 93 -10.060 -14.972 11.405 1.00 0.00 O ATOM 1487 OE2 GLU A 93 -11.030 -13.260 10.426 1.00 0.00 O ATOM 0 H GLU A 93 -6.857 -10.777 10.672 1.00 0.00 H new ATOM 0 HA GLU A 93 -9.367 -10.989 11.589 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.949 -12.755 11.746 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.353 -13.243 12.673 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.754 -12.471 9.801 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.986 -14.009 10.144 1.00 0.00 H new ATOM 1494 N GLY A 94 -7.386 -10.405 14.098 1.00 0.00 N ATOM 1495 CA GLY A 94 -7.358 -10.095 15.516 1.00 0.00 C ATOM 1496 C GLY A 94 -6.087 -9.379 15.928 1.00 0.00 C ATOM 1497 O GLY A 94 -5.226 -9.959 16.591 1.00 0.00 O ATOM 0 H GLY A 94 -6.518 -10.210 13.599 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.218 -9.474 15.766 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.453 -11.018 16.088 1.00 0.00 H new