USER MOD reduce.3.24.130724 H: found=0, std=0, add=464, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 463 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 69 THR OG1 : rot 161:sc= 1.04 USER MOD Set 1.2: A 70 ASN : amide:sc= -3.38! K(o=-3.6!,f=0.78) USER MOD Set 1.3: A 74 CYS SG : rot -77:sc= -1.24 USER MOD Set 2.1: A 27 CYS SG : rot -135:sc= 0.965 USER MOD Set 2.2: A 38 HIS : no HD1:sc= -0.433 K(o=-2.4,f=-7.6) USER MOD Set 2.3: A 51 CYS SG : rot -120:sc= -0.529! USER MOD Set 2.4: A 54 CYS SG : rot 146:sc= -2.37! USER MOD Single : A 8 HIS : no HD1:sc= -0.347 X(o=-0.35,f=-0.0069) USER MOD Single : A 10 GLN : amide:sc= -0.646 K(o=-0.65,f=0) USER MOD Single : A 15 TYR OH : rot 130:sc= -1.1 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -114:sc= 0.759 (180deg=-0.0271) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -119:sc= 0 (180deg=-0.266) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0904 USER MOD Single : A 46 THR OG1 : rot 133:sc= 1.27 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 14:sc= 1.05 USER MOD Single : A 56 THR OG1 : rot -150:sc= -2.69! USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 94:sc= 1.3 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.0294 K(o=-0.029,f=-1.7!) USER MOD Single : A 68 GLN : amide:sc= -0.0971 K(o=-0.097,f=-0.81) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.00212 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 77 N ILE A 6 -5.596 -5.810 1.469 1.00 0.00 N ATOM 78 CA ILE A 6 -4.846 -4.758 2.135 1.00 0.00 C ATOM 79 C ILE A 6 -5.410 -3.385 1.787 1.00 0.00 C ATOM 80 O ILE A 6 -5.850 -3.160 0.660 1.00 0.00 O ATOM 81 CB ILE A 6 -3.351 -4.814 1.754 1.00 0.00 C ATOM 82 CG1 ILE A 6 -3.183 -4.813 0.228 1.00 0.00 C ATOM 83 CG2 ILE A 6 -2.698 -6.040 2.374 1.00 0.00 C ATOM 84 CD1 ILE A 6 -1.740 -4.873 -0.236 1.00 0.00 C ATOM 0 HA ILE A 6 -4.941 -4.920 3.209 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.855 -3.926 2.146 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.723 -5.664 -0.187 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.647 -3.914 -0.177 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -1.644 -6.069 2.099 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.788 -5.991 3.459 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.193 -6.940 2.009 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.708 -4.869 -1.326 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.198 -4.008 0.147 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.276 -5.786 0.137 1.00 0.00 H new ATOM 96 N PRO A 7 -5.423 -2.462 2.764 1.00 0.00 N ATOM 97 CA PRO A 7 -5.954 -1.105 2.578 1.00 0.00 C ATOM 98 C PRO A 7 -5.330 -0.396 1.382 1.00 0.00 C ATOM 99 O PRO A 7 -4.111 -0.284 1.279 1.00 0.00 O ATOM 100 CB PRO A 7 -5.583 -0.393 3.881 1.00 0.00 C ATOM 101 CG PRO A 7 -5.460 -1.484 4.885 1.00 0.00 C ATOM 102 CD PRO A 7 -4.923 -2.670 4.135 1.00 0.00 C ATOM 0 HA PRO A 7 -7.025 -1.112 2.374 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -4.648 0.158 3.779 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -6.348 0.327 4.171 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -4.789 -1.197 5.695 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -6.426 -1.711 5.336 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -3.834 -2.705 4.165 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.283 -3.609 4.556 1.00 0.00 H new ATOM 110 N HIS A 8 -6.174 0.075 0.480 1.00 0.00 N ATOM 111 CA HIS A 8 -5.707 0.741 -0.727 1.00 0.00 C ATOM 112 C HIS A 8 -5.672 2.245 -0.509 1.00 0.00 C ATOM 113 O HIS A 8 -6.597 2.817 0.066 1.00 0.00 O ATOM 114 CB HIS A 8 -6.603 0.395 -1.924 1.00 0.00 C ATOM 115 CG HIS A 8 -6.653 -1.071 -2.235 1.00 0.00 C ATOM 116 ND1 HIS A 8 -5.951 -1.650 -3.269 1.00 0.00 N ATOM 117 CD2 HIS A 8 -7.318 -2.082 -1.630 1.00 0.00 C ATOM 118 CE1 HIS A 8 -6.182 -2.949 -3.284 1.00 0.00 C ATOM 119 NE2 HIS A 8 -7.006 -3.240 -2.299 1.00 0.00 N ATOM 0 H HIS A 8 -7.189 0.009 0.560 1.00 0.00 H new ATOM 0 HA HIS A 8 -4.699 0.391 -0.947 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -7.614 0.750 -1.724 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -6.244 0.932 -2.802 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -7.974 -1.994 -0.777 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -5.765 -3.655 -3.987 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -7.355 -4.171 -2.071 1.00 0.00 H new ATOM 128 N PHE A 9 -4.608 2.889 -0.964 1.00 0.00 N ATOM 129 CA PHE A 9 -4.444 4.321 -0.764 1.00 0.00 C ATOM 130 C PHE A 9 -4.306 5.045 -2.096 1.00 0.00 C ATOM 131 O PHE A 9 -3.780 4.488 -3.061 1.00 0.00 O ATOM 132 CB PHE A 9 -3.225 4.597 0.116 1.00 0.00 C ATOM 133 CG PHE A 9 -3.272 3.884 1.438 1.00 0.00 C ATOM 134 CD1 PHE A 9 -4.117 4.319 2.445 1.00 0.00 C ATOM 135 CD2 PHE A 9 -2.475 2.774 1.667 1.00 0.00 C ATOM 136 CE1 PHE A 9 -4.165 3.662 3.659 1.00 0.00 C ATOM 137 CE2 PHE A 9 -2.519 2.113 2.879 1.00 0.00 C ATOM 138 CZ PHE A 9 -3.365 2.557 3.878 1.00 0.00 C ATOM 0 H PHE A 9 -3.845 2.443 -1.474 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.335 4.698 -0.262 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.324 4.297 -0.419 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -3.148 5.670 0.292 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -4.745 5.182 2.279 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.813 2.422 0.890 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.828 4.012 4.437 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.892 1.249 3.046 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.401 2.042 4.827 1.00 0.00 H new ATOM 148 N GLN A 10 -4.792 6.277 -2.147 1.00 0.00 N ATOM 149 CA GLN A 10 -4.718 7.082 -3.357 1.00 0.00 C ATOM 150 C GLN A 10 -3.792 8.271 -3.149 1.00 0.00 C ATOM 151 O GLN A 10 -3.329 8.520 -2.036 1.00 0.00 O ATOM 152 CB GLN A 10 -6.111 7.571 -3.773 1.00 0.00 C ATOM 153 CG GLN A 10 -6.808 8.426 -2.724 1.00 0.00 C ATOM 154 CD GLN A 10 -8.091 9.059 -3.236 1.00 0.00 C ATOM 155 OE1 GLN A 10 -8.480 10.144 -2.805 1.00 0.00 O ATOM 156 NE2 GLN A 10 -8.754 8.391 -4.166 1.00 0.00 N ATOM 0 H GLN A 10 -5.244 6.742 -1.360 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.317 6.456 -4.154 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -6.022 8.146 -4.695 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -6.736 6.706 -3.996 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.034 7.811 -1.853 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -6.129 9.211 -2.392 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -8.401 7.494 -4.499 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -9.618 8.773 -4.550 1.00 0.00 H new ATOM 210 N GLY A 14 0.519 13.341 -4.804 1.00 0.00 N ATOM 211 CA GLY A 14 1.657 12.450 -4.712 1.00 0.00 C ATOM 212 C GLY A 14 2.474 12.732 -3.468 1.00 0.00 C ATOM 213 O GLY A 14 3.189 13.731 -3.404 1.00 0.00 O ATOM 0 HA2 GLY A 14 1.312 11.416 -4.697 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.284 12.564 -5.596 1.00 0.00 H new ATOM 217 N TYR A 15 2.350 11.873 -2.467 1.00 0.00 N ATOM 218 CA TYR A 15 3.062 12.062 -1.211 1.00 0.00 C ATOM 219 C TYR A 15 4.466 11.481 -1.308 1.00 0.00 C ATOM 220 O TYR A 15 4.712 10.568 -2.097 1.00 0.00 O ATOM 221 CB TYR A 15 2.287 11.417 -0.060 1.00 0.00 C ATOM 222 CG TYR A 15 0.882 11.962 0.092 1.00 0.00 C ATOM 223 CD1 TYR A 15 0.652 13.167 0.743 1.00 0.00 C ATOM 224 CD2 TYR A 15 -0.209 11.275 -0.424 1.00 0.00 C ATOM 225 CE1 TYR A 15 -0.627 13.674 0.874 1.00 0.00 C ATOM 226 CE2 TYR A 15 -1.492 11.773 -0.296 1.00 0.00 C ATOM 227 CZ TYR A 15 -1.696 12.972 0.354 1.00 0.00 C ATOM 228 OH TYR A 15 -2.968 13.478 0.474 1.00 0.00 O ATOM 0 H TYR A 15 1.764 11.039 -2.500 1.00 0.00 H new ATOM 0 HA TYR A 15 3.146 13.130 -1.012 1.00 0.00 H new ATOM 0 HB2 TYR A 15 2.237 10.340 -0.223 1.00 0.00 H new ATOM 0 HB3 TYR A 15 2.833 11.574 0.870 1.00 0.00 H new ATOM 0 HD1 TYR A 15 1.486 13.717 1.154 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.052 10.336 -0.934 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.789 14.614 1.380 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -2.330 11.226 -0.703 1.00 0.00 H new ATOM 0 HH TYR A 15 -3.409 13.466 -0.401 1.00 0.00 H new ATOM 238 N LYS A 16 5.387 12.022 -0.524 1.00 0.00 N ATOM 239 CA LYS A 16 6.782 11.615 -0.610 1.00 0.00 C ATOM 240 C LYS A 16 7.089 10.482 0.362 1.00 0.00 C ATOM 241 O LYS A 16 7.863 9.575 0.053 1.00 0.00 O ATOM 242 CB LYS A 16 7.705 12.806 -0.343 1.00 0.00 C ATOM 243 CG LYS A 16 9.125 12.607 -0.859 1.00 0.00 C ATOM 244 CD LYS A 16 9.141 12.431 -2.371 1.00 0.00 C ATOM 245 CE LYS A 16 8.572 13.652 -3.083 1.00 0.00 C ATOM 246 NZ LYS A 16 8.313 13.390 -4.520 1.00 0.00 N ATOM 0 H LYS A 16 5.195 12.740 0.175 1.00 0.00 H new ATOM 0 HA LYS A 16 6.960 11.250 -1.621 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.280 13.695 -0.808 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.741 12.994 0.730 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.739 13.465 -0.583 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.568 11.732 -0.384 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.163 12.257 -2.707 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.562 11.548 -2.641 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.644 13.955 -2.597 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.269 14.485 -2.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.927 14.247 -4.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.202 13.126 -4.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.628 12.613 -4.613 1.00 0.00 H new ATOM 260 N ILE A 17 6.493 10.542 1.539 1.00 0.00 N ATOM 261 CA ILE A 17 6.634 9.471 2.512 1.00 0.00 C ATOM 262 C ILE A 17 5.256 9.065 3.003 1.00 0.00 C ATOM 263 O ILE A 17 4.587 9.835 3.698 1.00 0.00 O ATOM 264 CB ILE A 17 7.502 9.909 3.719 1.00 0.00 C ATOM 265 CG1 ILE A 17 8.910 10.297 3.257 1.00 0.00 C ATOM 266 CG2 ILE A 17 7.571 8.797 4.761 1.00 0.00 C ATOM 267 CD1 ILE A 17 9.794 10.812 4.371 1.00 0.00 C ATOM 0 H ILE A 17 5.907 11.319 1.845 1.00 0.00 H new ATOM 0 HA ILE A 17 7.131 8.630 2.028 1.00 0.00 H new ATOM 0 HB ILE A 17 7.036 10.782 4.176 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.385 9.429 2.800 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.832 11.062 2.484 1.00 0.00 H new ATOM 0 HG21 ILE A 17 8.185 9.123 5.601 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.566 8.566 5.114 1.00 0.00 H new ATOM 0 HG23 ILE A 17 8.012 7.906 4.314 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.775 11.067 3.969 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.342 11.699 4.814 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.904 10.042 5.134 1.00 0.00 H new ATOM 279 N ILE A 18 4.815 7.870 2.634 1.00 0.00 N ATOM 280 CA ILE A 18 3.507 7.406 3.088 1.00 0.00 C ATOM 281 C ILE A 18 3.631 6.383 4.214 1.00 0.00 C ATOM 282 O ILE A 18 4.209 5.314 4.050 1.00 0.00 O ATOM 283 CB ILE A 18 2.643 6.842 1.936 1.00 0.00 C ATOM 284 CG1 ILE A 18 2.266 7.978 0.972 1.00 0.00 C ATOM 285 CG2 ILE A 18 1.392 6.161 2.486 1.00 0.00 C ATOM 286 CD1 ILE A 18 1.224 7.589 -0.060 1.00 0.00 C ATOM 0 H ILE A 18 5.326 7.218 2.038 1.00 0.00 H new ATOM 0 HA ILE A 18 2.994 8.285 3.478 1.00 0.00 H new ATOM 0 HB ILE A 18 3.219 6.093 1.392 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.892 8.823 1.550 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.165 8.317 0.457 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.797 5.771 1.660 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.683 5.341 3.143 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.801 6.884 3.048 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.011 8.444 -0.702 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.601 6.765 -0.665 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.309 7.279 0.445 1.00 0.00 H new ATOM 298 N GLU A 19 3.079 6.730 5.364 1.00 0.00 N ATOM 299 CA GLU A 19 3.138 5.871 6.535 1.00 0.00 C ATOM 300 C GLU A 19 1.899 4.987 6.613 1.00 0.00 C ATOM 301 O GLU A 19 0.786 5.438 6.337 1.00 0.00 O ATOM 302 CB GLU A 19 3.255 6.725 7.793 1.00 0.00 C ATOM 303 CG GLU A 19 4.450 7.660 7.767 1.00 0.00 C ATOM 304 CD GLU A 19 4.471 8.606 8.944 1.00 0.00 C ATOM 305 OE1 GLU A 19 3.745 9.620 8.906 1.00 0.00 O ATOM 306 OE2 GLU A 19 5.230 8.353 9.900 1.00 0.00 O ATOM 0 H GLU A 19 2.581 7.608 5.512 1.00 0.00 H new ATOM 0 HA GLU A 19 4.014 5.227 6.456 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.344 7.312 7.913 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.330 6.072 8.663 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.367 7.071 7.762 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.436 8.237 6.842 1.00 0.00 H new ATOM 313 N ILE A 20 2.093 3.732 6.991 1.00 0.00 N ATOM 314 CA ILE A 20 0.998 2.771 7.053 1.00 0.00 C ATOM 315 C ILE A 20 1.110 1.908 8.305 1.00 0.00 C ATOM 316 O ILE A 20 2.197 1.741 8.857 1.00 0.00 O ATOM 317 CB ILE A 20 0.969 1.865 5.798 1.00 0.00 C ATOM 318 CG1 ILE A 20 2.358 1.270 5.534 1.00 0.00 C ATOM 319 CG2 ILE A 20 0.480 2.643 4.587 1.00 0.00 C ATOM 320 CD1 ILE A 20 2.422 0.386 4.309 1.00 0.00 C ATOM 0 H ILE A 20 3.001 3.353 7.260 1.00 0.00 H new ATOM 0 HA ILE A 20 0.068 3.339 7.090 1.00 0.00 H new ATOM 0 HB ILE A 20 0.273 1.046 5.981 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.075 2.083 5.422 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.666 0.691 6.405 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.467 1.989 3.715 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.527 3.016 4.776 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.149 3.483 4.400 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.436 0.003 4.189 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.730 -0.448 4.426 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.146 0.965 3.428 1.00 0.00 H new ATOM 332 N GLY A 21 -0.023 1.378 8.755 1.00 0.00 N ATOM 333 CA GLY A 21 -0.030 0.527 9.931 1.00 0.00 C ATOM 334 C GLY A 21 0.148 -0.939 9.586 1.00 0.00 C ATOM 335 O GLY A 21 0.276 -1.782 10.471 1.00 0.00 O ATOM 0 H GLY A 21 -0.937 1.523 8.326 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.768 0.838 10.606 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.970 0.660 10.466 1.00 0.00 H new ATOM 339 N VAL A 22 0.146 -1.242 8.296 1.00 0.00 N ATOM 340 CA VAL A 22 0.349 -2.607 7.832 1.00 0.00 C ATOM 341 C VAL A 22 1.767 -2.745 7.272 1.00 0.00 C ATOM 342 O VAL A 22 2.285 -1.811 6.663 1.00 0.00 O ATOM 343 CB VAL A 22 -0.708 -2.999 6.767 1.00 0.00 C ATOM 344 CG1 VAL A 22 -0.511 -2.219 5.473 1.00 0.00 C ATOM 345 CG2 VAL A 22 -0.697 -4.500 6.509 1.00 0.00 C ATOM 0 H VAL A 22 0.006 -0.560 7.551 1.00 0.00 H new ATOM 0 HA VAL A 22 0.228 -3.289 8.674 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.688 -2.734 7.165 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.269 -2.518 4.749 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.603 -1.152 5.674 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.480 -2.428 5.069 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.448 -4.746 5.758 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.287 -4.800 6.149 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.922 -5.030 7.434 1.00 0.00 H new ATOM 355 N LYS A 23 2.403 -3.890 7.491 1.00 0.00 N ATOM 356 CA LYS A 23 3.806 -4.054 7.121 1.00 0.00 C ATOM 357 C LYS A 23 3.962 -4.735 5.762 1.00 0.00 C ATOM 358 O LYS A 23 5.080 -4.930 5.276 1.00 0.00 O ATOM 359 CB LYS A 23 4.556 -4.839 8.198 1.00 0.00 C ATOM 360 CG LYS A 23 4.530 -4.165 9.561 1.00 0.00 C ATOM 361 CD LYS A 23 5.433 -4.872 10.561 1.00 0.00 C ATOM 362 CE LYS A 23 6.894 -4.794 10.141 1.00 0.00 C ATOM 363 NZ LYS A 23 7.791 -5.465 11.120 1.00 0.00 N ATOM 0 H LYS A 23 1.976 -4.712 7.918 1.00 0.00 H new ATOM 0 HA LYS A 23 4.240 -3.057 7.041 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.119 -5.834 8.284 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.592 -4.972 7.886 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.845 -3.127 9.459 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.508 -4.152 9.940 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.311 -4.421 11.546 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.133 -5.916 10.649 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.015 -5.257 9.162 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.187 -3.749 10.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.404 -4.756 11.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.218 -5.941 11.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.379 -6.167 10.627 1.00 0.00 H new ATOM 377 N GLU A 24 2.843 -5.099 5.155 1.00 0.00 N ATOM 378 CA GLU A 24 2.852 -5.683 3.821 1.00 0.00 C ATOM 379 C GLU A 24 1.885 -4.933 2.911 1.00 0.00 C ATOM 380 O GLU A 24 0.670 -4.998 3.093 1.00 0.00 O ATOM 381 CB GLU A 24 2.482 -7.171 3.857 1.00 0.00 C ATOM 382 CG GLU A 24 3.494 -8.056 4.573 1.00 0.00 C ATOM 383 CD GLU A 24 3.271 -8.135 6.069 1.00 0.00 C ATOM 384 OE1 GLU A 24 2.172 -8.557 6.485 1.00 0.00 O ATOM 385 OE2 GLU A 24 4.199 -7.811 6.839 1.00 0.00 O ATOM 0 H GLU A 24 1.914 -5.000 5.565 1.00 0.00 H new ATOM 0 HA GLU A 24 3.865 -5.594 3.427 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.513 -7.280 4.345 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.365 -7.528 2.834 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.449 -9.061 4.153 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.498 -7.676 4.382 1.00 0.00 H new ATOM 392 N PHE A 25 2.432 -4.210 1.942 1.00 0.00 N ATOM 393 CA PHE A 25 1.624 -3.441 1.002 1.00 0.00 C ATOM 394 C PHE A 25 2.378 -3.252 -0.309 1.00 0.00 C ATOM 395 O PHE A 25 3.573 -2.971 -0.307 1.00 0.00 O ATOM 396 CB PHE A 25 1.259 -2.078 1.604 1.00 0.00 C ATOM 397 CG PHE A 25 0.461 -1.195 0.680 1.00 0.00 C ATOM 398 CD1 PHE A 25 -0.868 -1.470 0.413 1.00 0.00 C ATOM 399 CD2 PHE A 25 1.047 -0.092 0.073 1.00 0.00 C ATOM 400 CE1 PHE A 25 -1.601 -0.665 -0.439 1.00 0.00 C ATOM 401 CE2 PHE A 25 0.320 0.717 -0.778 1.00 0.00 C ATOM 402 CZ PHE A 25 -1.008 0.430 -1.035 1.00 0.00 C ATOM 0 H PHE A 25 3.437 -4.140 1.786 1.00 0.00 H new ATOM 0 HA PHE A 25 0.705 -3.991 0.802 1.00 0.00 H new ATOM 0 HB2 PHE A 25 0.690 -2.237 2.520 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.175 -1.559 1.885 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.339 -2.324 0.876 1.00 0.00 H new ATOM 0 HD2 PHE A 25 2.084 0.136 0.269 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.638 -0.893 -0.638 1.00 0.00 H new ATOM 0 HE2 PHE A 25 0.788 1.573 -1.242 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.580 1.061 -1.700 1.00 0.00 H new ATOM 412 N MET A 26 1.685 -3.417 -1.425 1.00 0.00 N ATOM 413 CA MET A 26 2.307 -3.256 -2.731 1.00 0.00 C ATOM 414 C MET A 26 1.947 -1.901 -3.324 1.00 0.00 C ATOM 415 O MET A 26 0.801 -1.465 -3.241 1.00 0.00 O ATOM 416 CB MET A 26 1.880 -4.381 -3.677 1.00 0.00 C ATOM 417 CG MET A 26 2.584 -4.339 -5.024 1.00 0.00 C ATOM 418 SD MET A 26 2.200 -5.759 -6.070 1.00 0.00 S ATOM 419 CE MET A 26 3.290 -5.444 -7.457 1.00 0.00 C ATOM 0 H MET A 26 0.695 -3.661 -1.453 1.00 0.00 H new ATOM 0 HA MET A 26 3.388 -3.307 -2.604 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.080 -5.341 -3.201 1.00 0.00 H new ATOM 0 HB3 MET A 26 0.803 -4.322 -3.836 1.00 0.00 H new ATOM 0 HG2 MET A 26 2.302 -3.424 -5.546 1.00 0.00 H new ATOM 0 HG3 MET A 26 3.661 -4.295 -4.863 1.00 0.00 H new ATOM 0 HE1 MET A 26 3.174 -6.235 -8.198 1.00 0.00 H new ATOM 0 HE2 MET A 26 3.037 -4.485 -7.908 1.00 0.00 H new ATOM 0 HE3 MET A 26 4.323 -5.420 -7.110 1.00 0.00 H new ATOM 429 N CYS A 27 2.936 -1.239 -3.909 1.00 0.00 N ATOM 430 CA CYS A 27 2.740 0.072 -4.506 1.00 0.00 C ATOM 431 C CYS A 27 1.788 -0.002 -5.694 1.00 0.00 C ATOM 432 O CYS A 27 2.051 -0.707 -6.674 1.00 0.00 O ATOM 433 CB CYS A 27 4.082 0.655 -4.953 1.00 0.00 C ATOM 434 SG CYS A 27 3.947 2.101 -6.039 1.00 0.00 S ATOM 0 H CYS A 27 3.890 -1.594 -3.982 1.00 0.00 H new ATOM 0 HA CYS A 27 2.298 0.722 -3.751 1.00 0.00 H new ATOM 0 HB2 CYS A 27 4.656 0.932 -4.069 1.00 0.00 H new ATOM 0 HB3 CYS A 27 4.647 -0.121 -5.470 1.00 0.00 H new ATOM 0 HG CYS A 27 4.778 1.977 -7.031 1.00 0.00 H new ATOM 439 N VAL A 28 0.687 0.726 -5.600 1.00 0.00 N ATOM 440 CA VAL A 28 -0.271 0.802 -6.689 1.00 0.00 C ATOM 441 C VAL A 28 0.054 1.991 -7.589 1.00 0.00 C ATOM 442 O VAL A 28 0.731 1.849 -8.609 1.00 0.00 O ATOM 443 CB VAL A 28 -1.719 0.935 -6.167 1.00 0.00 C ATOM 444 CG1 VAL A 28 -2.722 0.811 -7.306 1.00 0.00 C ATOM 445 CG2 VAL A 28 -1.996 -0.096 -5.084 1.00 0.00 C ATOM 0 H VAL A 28 0.435 1.274 -4.778 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.197 -0.125 -7.257 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.832 1.927 -5.729 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.734 0.908 -6.912 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.540 1.598 -8.038 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.611 -0.162 -7.784 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.021 0.015 -4.730 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.859 -1.098 -5.492 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.307 0.055 -4.253 1.00 0.00 H new ATOM 581 N HIS A 38 3.356 -1.869 -9.853 1.00 0.00 N ATOM 582 CA HIS A 38 4.624 -1.332 -9.374 1.00 0.00 C ATOM 583 C HIS A 38 5.388 -2.370 -8.555 1.00 0.00 C ATOM 584 O HIS A 38 5.334 -3.564 -8.828 1.00 0.00 O ATOM 585 CB HIS A 38 4.391 -0.083 -8.518 1.00 0.00 C ATOM 586 CG HIS A 38 4.164 1.183 -9.292 1.00 0.00 C ATOM 587 ND1 HIS A 38 4.822 2.376 -9.001 1.00 0.00 N ATOM 588 CD2 HIS A 38 3.336 1.455 -10.333 1.00 0.00 C ATOM 589 CE1 HIS A 38 4.396 3.315 -9.845 1.00 0.00 C ATOM 590 NE2 HIS A 38 3.503 2.782 -10.651 1.00 0.00 N ATOM 0 HA HIS A 38 5.219 -1.067 -10.248 1.00 0.00 H new ATOM 0 HB2 HIS A 38 3.529 -0.257 -7.875 1.00 0.00 H new ATOM 0 HB3 HIS A 38 5.252 0.058 -7.865 1.00 0.00 H new ATOM 0 HD2 HIS A 38 2.670 0.758 -10.821 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.728 4.342 -9.864 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.011 3.276 -11.396 1.00 0.00 H new ATOM 598 N ILE A 39 6.097 -1.894 -7.546 1.00 0.00 N ATOM 599 CA ILE A 39 6.950 -2.737 -6.735 1.00 0.00 C ATOM 600 C ILE A 39 6.272 -3.047 -5.404 1.00 0.00 C ATOM 601 O ILE A 39 5.529 -2.218 -4.870 1.00 0.00 O ATOM 602 CB ILE A 39 8.306 -2.039 -6.499 1.00 0.00 C ATOM 603 CG1 ILE A 39 8.905 -1.612 -7.845 1.00 0.00 C ATOM 604 CG2 ILE A 39 9.271 -2.942 -5.740 1.00 0.00 C ATOM 605 CD1 ILE A 39 9.326 -2.770 -8.726 1.00 0.00 C ATOM 0 H ILE A 39 6.096 -0.913 -7.268 1.00 0.00 H new ATOM 0 HA ILE A 39 7.125 -3.676 -7.260 1.00 0.00 H new ATOM 0 HB ILE A 39 8.139 -1.154 -5.885 1.00 0.00 H new ATOM 0 HG12 ILE A 39 8.173 -1.008 -8.381 1.00 0.00 H new ATOM 0 HG13 ILE A 39 9.770 -0.976 -7.661 1.00 0.00 H new ATOM 0 HG21 ILE A 39 10.216 -2.420 -5.590 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.842 -3.201 -4.772 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.446 -3.852 -6.314 1.00 0.00 H new ATOM 0 HD11 ILE A 39 9.739 -2.386 -9.659 1.00 0.00 H new ATOM 0 HD12 ILE A 39 10.082 -3.363 -8.211 1.00 0.00 H new ATOM 0 HD13 ILE A 39 8.460 -3.396 -8.943 1.00 0.00 H new ATOM 617 N PHE A 40 6.515 -4.241 -4.887 1.00 0.00 N ATOM 618 CA PHE A 40 5.901 -4.683 -3.646 1.00 0.00 C ATOM 619 C PHE A 40 6.753 -4.298 -2.443 1.00 0.00 C ATOM 620 O PHE A 40 7.984 -4.264 -2.522 1.00 0.00 O ATOM 621 CB PHE A 40 5.669 -6.199 -3.677 1.00 0.00 C ATOM 622 CG PHE A 40 6.879 -7.002 -4.082 1.00 0.00 C ATOM 623 CD1 PHE A 40 7.820 -7.396 -3.142 1.00 0.00 C ATOM 624 CD2 PHE A 40 7.070 -7.369 -5.407 1.00 0.00 C ATOM 625 CE1 PHE A 40 8.928 -8.134 -3.516 1.00 0.00 C ATOM 626 CE2 PHE A 40 8.175 -8.108 -5.785 1.00 0.00 C ATOM 627 CZ PHE A 40 9.106 -8.490 -4.837 1.00 0.00 C ATOM 0 H PHE A 40 7.139 -4.926 -5.313 1.00 0.00 H new ATOM 0 HA PHE A 40 4.938 -4.182 -3.548 1.00 0.00 H new ATOM 0 HB2 PHE A 40 5.344 -6.526 -2.689 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.855 -6.416 -4.368 1.00 0.00 H new ATOM 0 HD1 PHE A 40 7.686 -7.123 -2.106 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.346 -7.073 -6.152 1.00 0.00 H new ATOM 0 HE1 PHE A 40 9.654 -8.432 -2.774 1.00 0.00 H new ATOM 0 HE2 PHE A 40 8.311 -8.387 -6.820 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.971 -9.066 -5.130 1.00 0.00 H new ATOM 637 N ILE A 41 6.091 -3.990 -1.339 1.00 0.00 N ATOM 638 CA ILE A 41 6.775 -3.631 -0.108 1.00 0.00 C ATOM 639 C ILE A 41 6.513 -4.681 0.969 1.00 0.00 C ATOM 640 O ILE A 41 5.379 -4.852 1.432 1.00 0.00 O ATOM 641 CB ILE A 41 6.356 -2.222 0.410 1.00 0.00 C ATOM 642 CG1 ILE A 41 7.046 -1.104 -0.387 1.00 0.00 C ATOM 643 CG2 ILE A 41 6.664 -2.065 1.893 1.00 0.00 C ATOM 644 CD1 ILE A 41 6.531 -0.937 -1.801 1.00 0.00 C ATOM 0 H ILE A 41 5.073 -3.982 -1.271 1.00 0.00 H new ATOM 0 HA ILE A 41 7.841 -3.595 -0.331 1.00 0.00 H new ATOM 0 HB ILE A 41 5.279 -2.136 0.266 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.919 -0.162 0.147 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.116 -1.308 -0.424 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.360 -1.072 2.225 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.118 -2.819 2.460 1.00 0.00 H new ATOM 0 HG23 ILE A 41 7.734 -2.191 2.058 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.072 -0.128 -2.292 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.683 -1.863 -2.355 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.467 -0.700 -1.775 1.00 0.00 H new ATOM 656 N ASP A 42 7.561 -5.407 1.326 1.00 0.00 N ATOM 657 CA ASP A 42 7.504 -6.352 2.431 1.00 0.00 C ATOM 658 C ASP A 42 8.451 -5.898 3.528 1.00 0.00 C ATOM 659 O ASP A 42 9.668 -5.840 3.321 1.00 0.00 O ATOM 660 CB ASP A 42 7.884 -7.769 1.984 1.00 0.00 C ATOM 661 CG ASP A 42 6.868 -8.406 1.058 1.00 0.00 C ATOM 662 OD1 ASP A 42 5.802 -8.848 1.540 1.00 0.00 O ATOM 663 OD2 ASP A 42 7.137 -8.494 -0.158 1.00 0.00 O ATOM 0 H ASP A 42 8.468 -5.359 0.862 1.00 0.00 H new ATOM 0 HA ASP A 42 6.479 -6.380 2.801 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.851 -7.735 1.481 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.005 -8.399 2.865 1.00 0.00 H new ATOM 668 N MET A 43 7.904 -5.560 4.684 1.00 0.00 N ATOM 669 CA MET A 43 8.716 -5.110 5.805 1.00 0.00 C ATOM 670 C MET A 43 9.228 -6.303 6.599 1.00 0.00 C ATOM 671 O MET A 43 8.824 -6.533 7.739 1.00 0.00 O ATOM 672 CB MET A 43 7.923 -4.171 6.714 1.00 0.00 C ATOM 673 CG MET A 43 7.439 -2.912 6.020 1.00 0.00 C ATOM 674 SD MET A 43 6.484 -1.848 7.115 1.00 0.00 S ATOM 675 CE MET A 43 5.985 -0.557 5.981 1.00 0.00 C ATOM 0 H MET A 43 6.902 -5.588 4.872 1.00 0.00 H new ATOM 0 HA MET A 43 9.568 -4.559 5.407 1.00 0.00 H new ATOM 0 HB2 MET A 43 7.063 -4.708 7.114 1.00 0.00 H new ATOM 0 HB3 MET A 43 8.546 -3.890 7.563 1.00 0.00 H new ATOM 0 HG2 MET A 43 8.297 -2.359 5.637 1.00 0.00 H new ATOM 0 HG3 MET A 43 6.828 -3.186 5.160 1.00 0.00 H new ATOM 0 HE1 MET A 43 6.385 0.399 6.319 1.00 0.00 H new ATOM 0 HE2 MET A 43 6.368 -0.779 4.985 1.00 0.00 H new ATOM 0 HE3 MET A 43 4.897 -0.503 5.947 1.00 0.00 H new ATOM 685 N GLY A 44 10.099 -7.079 5.973 1.00 0.00 N ATOM 686 CA GLY A 44 10.671 -8.231 6.635 1.00 0.00 C ATOM 687 C GLY A 44 11.922 -7.871 7.403 1.00 0.00 C ATOM 688 O GLY A 44 12.050 -8.189 8.581 1.00 0.00 O ATOM 0 H GLY A 44 10.420 -6.931 5.016 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.937 -8.661 7.316 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.906 -8.996 5.895 1.00 0.00 H new ATOM 692 N SER A 45 12.841 -7.192 6.737 1.00 0.00 N ATOM 693 CA SER A 45 14.090 -6.784 7.356 1.00 0.00 C ATOM 694 C SER A 45 13.897 -5.531 8.207 1.00 0.00 C ATOM 695 O SER A 45 14.164 -5.535 9.411 1.00 0.00 O ATOM 696 CB SER A 45 15.138 -6.547 6.270 1.00 0.00 C ATOM 697 OG SER A 45 14.542 -6.026 5.088 1.00 0.00 O ATOM 0 H SER A 45 12.744 -6.910 5.761 1.00 0.00 H new ATOM 0 HA SER A 45 14.433 -7.578 8.019 1.00 0.00 H new ATOM 0 HB2 SER A 45 15.895 -5.853 6.636 1.00 0.00 H new ATOM 0 HB3 SER A 45 15.648 -7.483 6.042 1.00 0.00 H new ATOM 0 HG SER A 45 15.234 -5.882 4.409 1.00 0.00 H new ATOM 703 N THR A 46 13.416 -4.472 7.580 1.00 0.00 N ATOM 704 CA THR A 46 13.206 -3.206 8.258 1.00 0.00 C ATOM 705 C THR A 46 11.717 -2.943 8.477 1.00 0.00 C ATOM 706 O THR A 46 10.872 -3.719 8.029 1.00 0.00 O ATOM 707 CB THR A 46 13.815 -2.058 7.434 1.00 0.00 C ATOM 708 OG1 THR A 46 13.432 -2.198 6.056 1.00 0.00 O ATOM 709 CG2 THR A 46 15.333 -2.049 7.547 1.00 0.00 C ATOM 0 H THR A 46 13.161 -4.465 6.592 1.00 0.00 H new ATOM 0 HA THR A 46 13.697 -3.258 9.230 1.00 0.00 H new ATOM 0 HB THR A 46 13.438 -1.114 7.827 1.00 0.00 H new ATOM 0 HG1 THR A 46 13.110 -1.337 5.717 1.00 0.00 H new ATOM 0 HG21 THR A 46 15.737 -1.228 6.955 1.00 0.00 H new ATOM 0 HG22 THR A 46 15.619 -1.919 8.591 1.00 0.00 H new ATOM 0 HG23 THR A 46 15.731 -2.994 7.176 1.00 0.00 H new ATOM 717 N ASP A 47 11.403 -1.858 9.178 1.00 0.00 N ATOM 718 CA ASP A 47 10.014 -1.433 9.355 1.00 0.00 C ATOM 719 C ASP A 47 9.707 -0.303 8.387 1.00 0.00 C ATOM 720 O ASP A 47 8.631 0.292 8.412 1.00 0.00 O ATOM 721 CB ASP A 47 9.749 -0.955 10.788 1.00 0.00 C ATOM 722 CG ASP A 47 9.916 -2.041 11.827 1.00 0.00 C ATOM 723 OD1 ASP A 47 9.104 -2.986 11.851 1.00 0.00 O ATOM 724 OD2 ASP A 47 10.848 -1.932 12.655 1.00 0.00 O ATOM 0 H ASP A 47 12.089 -1.256 9.633 1.00 0.00 H new ATOM 0 HA ASP A 47 9.370 -2.290 9.158 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.427 -0.134 11.020 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.736 -0.558 10.849 1.00 0.00 H new ATOM 729 N GLU A 48 10.678 -0.009 7.540 1.00 0.00 N ATOM 730 CA GLU A 48 10.550 1.050 6.560 1.00 0.00 C ATOM 731 C GLU A 48 11.037 0.572 5.198 1.00 0.00 C ATOM 732 O GLU A 48 12.116 -0.015 5.080 1.00 0.00 O ATOM 733 CB GLU A 48 11.339 2.281 7.019 1.00 0.00 C ATOM 734 CG GLU A 48 12.783 1.977 7.391 1.00 0.00 C ATOM 735 CD GLU A 48 13.487 3.155 8.023 1.00 0.00 C ATOM 736 OE1 GLU A 48 13.280 3.398 9.230 1.00 0.00 O ATOM 737 OE2 GLU A 48 14.263 3.840 7.326 1.00 0.00 O ATOM 0 H GLU A 48 11.573 -0.497 7.514 1.00 0.00 H new ATOM 0 HA GLU A 48 9.499 1.325 6.467 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.327 3.027 6.224 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.837 2.724 7.879 1.00 0.00 H new ATOM 0 HG2 GLU A 48 12.805 1.134 8.081 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.327 1.672 6.497 1.00 0.00 H new ATOM 744 N LYS A 49 10.227 0.803 4.181 1.00 0.00 N ATOM 745 CA LYS A 49 10.560 0.421 2.820 1.00 0.00 C ATOM 746 C LYS A 49 10.147 1.522 1.861 1.00 0.00 C ATOM 747 O LYS A 49 9.273 2.326 2.173 1.00 0.00 O ATOM 748 CB LYS A 49 9.862 -0.885 2.438 1.00 0.00 C ATOM 749 CG LYS A 49 10.604 -2.139 2.872 1.00 0.00 C ATOM 750 CD LYS A 49 11.901 -2.302 2.095 1.00 0.00 C ATOM 751 CE LYS A 49 12.578 -3.630 2.395 1.00 0.00 C ATOM 752 NZ LYS A 49 13.816 -3.809 1.592 1.00 0.00 N ATOM 0 H LYS A 49 9.320 1.260 4.275 1.00 0.00 H new ATOM 0 HA LYS A 49 11.638 0.270 2.758 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.866 -0.894 2.881 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.730 -0.910 1.356 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.819 -2.087 3.939 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.971 -3.013 2.717 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.696 -2.232 1.027 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.578 -1.485 2.343 1.00 0.00 H new ATOM 0 HE2 LYS A 49 12.822 -3.683 3.456 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.887 -4.446 2.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.250 -4.725 1.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.580 -3.783 0.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 14.485 -3.044 1.811 1.00 0.00 H new ATOM 766 N ILE A 50 10.768 1.565 0.701 1.00 0.00 N ATOM 767 CA ILE A 50 10.432 2.572 -0.284 1.00 0.00 C ATOM 768 C ILE A 50 10.251 1.931 -1.650 1.00 0.00 C ATOM 769 O ILE A 50 10.847 0.895 -1.944 1.00 0.00 O ATOM 770 CB ILE A 50 11.517 3.679 -0.362 1.00 0.00 C ATOM 771 CG1 ILE A 50 10.998 4.893 -1.144 1.00 0.00 C ATOM 772 CG2 ILE A 50 12.792 3.144 -1.000 1.00 0.00 C ATOM 773 CD1 ILE A 50 11.982 6.041 -1.218 1.00 0.00 C ATOM 0 H ILE A 50 11.504 0.918 0.418 1.00 0.00 H new ATOM 0 HA ILE A 50 9.496 3.037 0.026 1.00 0.00 H new ATOM 0 HB ILE A 50 11.749 3.996 0.655 1.00 0.00 H new ATOM 0 HG12 ILE A 50 10.744 4.579 -2.156 1.00 0.00 H new ATOM 0 HG13 ILE A 50 10.077 5.246 -0.679 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.538 3.938 -1.044 1.00 0.00 H new ATOM 0 HG22 ILE A 50 13.177 2.317 -0.404 1.00 0.00 H new ATOM 0 HG23 ILE A 50 12.575 2.794 -2.009 1.00 0.00 H new ATOM 0 HD11 ILE A 50 11.543 6.861 -1.786 1.00 0.00 H new ATOM 0 HD12 ILE A 50 12.218 6.383 -0.210 1.00 0.00 H new ATOM 0 HD13 ILE A 50 12.895 5.706 -1.711 1.00 0.00 H new ATOM 785 N CYS A 51 9.402 2.530 -2.465 1.00 0.00 N ATOM 786 CA CYS A 51 9.240 2.098 -3.837 1.00 0.00 C ATOM 787 C CYS A 51 10.151 2.919 -4.733 1.00 0.00 C ATOM 788 O CYS A 51 9.945 4.128 -4.884 1.00 0.00 O ATOM 789 CB CYS A 51 7.782 2.249 -4.282 1.00 0.00 C ATOM 790 SG CYS A 51 7.505 1.995 -6.056 1.00 0.00 S ATOM 0 H CYS A 51 8.814 3.319 -2.198 1.00 0.00 H new ATOM 0 HA CYS A 51 9.510 1.045 -3.913 1.00 0.00 H new ATOM 0 HB2 CYS A 51 7.171 1.538 -3.727 1.00 0.00 H new ATOM 0 HB3 CYS A 51 7.435 3.246 -4.012 1.00 0.00 H new ATOM 0 HG CYS A 51 6.999 3.074 -6.575 1.00 0.00 H new ATOM 795 N PRO A 52 11.178 2.279 -5.319 1.00 0.00 N ATOM 796 CA PRO A 52 12.113 2.947 -6.226 1.00 0.00 C ATOM 797 C PRO A 52 11.371 3.735 -7.294 1.00 0.00 C ATOM 798 O PRO A 52 11.684 4.891 -7.570 1.00 0.00 O ATOM 799 CB PRO A 52 12.892 1.791 -6.853 1.00 0.00 C ATOM 800 CG PRO A 52 12.835 0.702 -5.837 1.00 0.00 C ATOM 801 CD PRO A 52 11.512 0.851 -5.134 1.00 0.00 C ATOM 0 HA PRO A 52 12.753 3.667 -5.715 1.00 0.00 H new ATOM 0 HB2 PRO A 52 12.444 1.477 -7.796 1.00 0.00 H new ATOM 0 HB3 PRO A 52 13.921 2.078 -7.069 1.00 0.00 H new ATOM 0 HG2 PRO A 52 12.916 -0.276 -6.310 1.00 0.00 H new ATOM 0 HG3 PRO A 52 13.662 0.784 -5.132 1.00 0.00 H new ATOM 0 HD2 PRO A 52 10.752 0.202 -5.569 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.588 0.591 -4.078 1.00 0.00 H new ATOM 809 N TYR A 53 10.357 3.108 -7.866 1.00 0.00 N ATOM 810 CA TYR A 53 9.512 3.771 -8.839 1.00 0.00 C ATOM 811 C TYR A 53 8.324 4.416 -8.136 1.00 0.00 C ATOM 812 O TYR A 53 7.226 3.817 -8.081 1.00 0.00 O ATOM 813 CB TYR A 53 9.040 2.781 -9.907 1.00 0.00 C ATOM 814 CG TYR A 53 10.173 2.017 -10.559 1.00 0.00 C ATOM 815 CD1 TYR A 53 11.045 2.644 -11.441 1.00 0.00 C ATOM 816 CD2 TYR A 53 10.379 0.671 -10.279 1.00 0.00 C ATOM 817 CE1 TYR A 53 12.088 1.951 -12.027 1.00 0.00 C ATOM 818 CE2 TYR A 53 11.421 -0.027 -10.858 1.00 0.00 C ATOM 819 CZ TYR A 53 12.271 0.617 -11.731 1.00 0.00 C ATOM 820 OH TYR A 53 13.314 -0.075 -12.303 1.00 0.00 O ATOM 0 H TYR A 53 10.101 2.140 -7.672 1.00 0.00 H new ATOM 0 HA TYR A 53 10.090 4.550 -9.337 1.00 0.00 H new ATOM 0 HB2 TYR A 53 8.347 2.072 -9.454 1.00 0.00 H new ATOM 0 HB3 TYR A 53 8.487 3.322 -10.675 1.00 0.00 H new ATOM 0 HD1 TYR A 53 10.906 3.690 -11.672 1.00 0.00 H new ATOM 0 HD2 TYR A 53 9.713 0.163 -9.597 1.00 0.00 H new ATOM 0 HE1 TYR A 53 12.755 2.452 -12.713 1.00 0.00 H new ATOM 0 HE2 TYR A 53 11.569 -1.072 -10.628 1.00 0.00 H new ATOM 0 HH TYR A 53 13.302 -1.003 -11.989 1.00 0.00 H new ATOM 830 N CYS A 54 8.602 5.579 -7.513 1.00 0.00 N ATOM 831 CA CYS A 54 7.597 6.464 -6.894 1.00 0.00 C ATOM 832 C CYS A 54 8.220 7.412 -5.870 1.00 0.00 C ATOM 833 O CYS A 54 7.906 8.598 -5.869 1.00 0.00 O ATOM 834 CB CYS A 54 6.469 5.701 -6.195 1.00 0.00 C ATOM 835 SG CYS A 54 5.103 5.228 -7.284 1.00 0.00 S ATOM 0 H CYS A 54 9.553 5.936 -7.425 1.00 0.00 H new ATOM 0 HA CYS A 54 7.181 7.028 -7.729 1.00 0.00 H new ATOM 0 HB2 CYS A 54 6.883 4.802 -5.739 1.00 0.00 H new ATOM 0 HB3 CYS A 54 6.077 6.317 -5.386 1.00 0.00 H new ATOM 0 HG CYS A 54 4.618 4.085 -6.900 1.00 0.00 H new ATOM 840 N SER A 55 9.111 6.884 -5.019 1.00 0.00 N ATOM 841 CA SER A 55 9.551 7.581 -3.802 1.00 0.00 C ATOM 842 C SER A 55 8.332 8.045 -2.997 1.00 0.00 C ATOM 843 O SER A 55 7.799 9.136 -3.196 1.00 0.00 O ATOM 844 CB SER A 55 10.536 8.737 -4.095 1.00 0.00 C ATOM 845 OG SER A 55 10.024 9.687 -5.015 1.00 0.00 O ATOM 0 H SER A 55 9.544 5.970 -5.153 1.00 0.00 H new ATOM 0 HA SER A 55 10.115 6.872 -3.196 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.782 9.242 -3.161 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.465 8.324 -4.488 1.00 0.00 H new ATOM 0 HG SER A 55 9.060 9.549 -5.125 1.00 0.00 H new ATOM 851 N THR A 56 7.893 7.176 -2.097 1.00 0.00 N ATOM 852 CA THR A 56 6.645 7.312 -1.389 1.00 0.00 C ATOM 853 C THR A 56 6.793 6.461 -0.138 1.00 0.00 C ATOM 854 O THR A 56 5.912 5.684 0.221 1.00 0.00 O ATOM 855 CB THR A 56 5.466 6.799 -2.248 1.00 0.00 C ATOM 856 OG1 THR A 56 5.636 7.209 -3.612 1.00 0.00 O ATOM 857 CG2 THR A 56 4.146 7.336 -1.737 1.00 0.00 C ATOM 0 H THR A 56 8.414 6.338 -1.838 1.00 0.00 H new ATOM 0 HA THR A 56 6.433 8.355 -1.152 1.00 0.00 H new ATOM 0 HB THR A 56 5.456 5.711 -2.183 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.758 7.324 -4.031 1.00 0.00 H new ATOM 0 HG21 THR A 56 3.334 6.959 -2.360 1.00 0.00 H new ATOM 0 HG22 THR A 56 3.995 7.011 -0.708 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.157 8.425 -1.775 1.00 0.00 H new ATOM 865 N LEU A 57 7.954 6.643 0.499 1.00 0.00 N ATOM 866 CA LEU A 57 8.487 5.734 1.513 1.00 0.00 C ATOM 867 C LEU A 57 7.414 5.244 2.472 1.00 0.00 C ATOM 868 O LEU A 57 6.862 6.014 3.251 1.00 0.00 O ATOM 869 CB LEU A 57 9.623 6.431 2.273 1.00 0.00 C ATOM 870 CG LEU A 57 10.609 5.511 3.006 1.00 0.00 C ATOM 871 CD1 LEU A 57 11.920 6.244 3.251 1.00 0.00 C ATOM 872 CD2 LEU A 57 10.033 5.024 4.330 1.00 0.00 C ATOM 0 H LEU A 57 8.560 7.443 0.319 1.00 0.00 H new ATOM 0 HA LEU A 57 8.874 4.850 1.005 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.184 7.042 1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.182 7.111 3.002 1.00 0.00 H new ATOM 0 HG LEU A 57 10.791 4.641 2.375 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.614 5.584 3.772 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.352 6.545 2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.734 7.128 3.860 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.756 4.375 4.824 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.817 5.880 4.970 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.114 4.469 4.144 1.00 0.00 H new ATOM 884 N TYR A 58 7.133 3.954 2.392 1.00 0.00 N ATOM 885 CA TYR A 58 6.148 3.319 3.243 1.00 0.00 C ATOM 886 C TYR A 58 6.790 2.953 4.569 1.00 0.00 C ATOM 887 O TYR A 58 7.594 2.021 4.651 1.00 0.00 O ATOM 888 CB TYR A 58 5.572 2.075 2.559 1.00 0.00 C ATOM 889 CG TYR A 58 4.937 2.368 1.217 1.00 0.00 C ATOM 890 CD1 TYR A 58 3.601 2.744 1.126 1.00 0.00 C ATOM 891 CD2 TYR A 58 5.674 2.278 0.042 1.00 0.00 C ATOM 892 CE1 TYR A 58 3.020 3.022 -0.099 1.00 0.00 C ATOM 893 CE2 TYR A 58 5.101 2.553 -1.184 1.00 0.00 C ATOM 894 CZ TYR A 58 3.775 2.924 -1.250 1.00 0.00 C ATOM 895 OH TYR A 58 3.202 3.203 -2.473 1.00 0.00 O ATOM 0 H TYR A 58 7.584 3.319 1.733 1.00 0.00 H new ATOM 0 HA TYR A 58 5.327 4.013 3.424 1.00 0.00 H new ATOM 0 HB2 TYR A 58 6.368 1.342 2.424 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.828 1.621 3.214 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.008 2.820 2.025 1.00 0.00 H new ATOM 0 HD2 TYR A 58 6.713 1.988 0.089 1.00 0.00 H new ATOM 0 HE1 TYR A 58 1.982 3.314 -0.154 1.00 0.00 H new ATOM 0 HE2 TYR A 58 5.689 2.478 -2.087 1.00 0.00 H new ATOM 0 HH TYR A 58 3.870 3.087 -3.181 1.00 0.00 H new ATOM 905 N ARG A 59 6.457 3.710 5.595 1.00 0.00 N ATOM 906 CA ARG A 59 7.081 3.541 6.895 1.00 0.00 C ATOM 907 C ARG A 59 6.063 3.102 7.935 1.00 0.00 C ATOM 908 O ARG A 59 4.995 3.700 8.068 1.00 0.00 O ATOM 909 CB ARG A 59 7.752 4.847 7.331 1.00 0.00 C ATOM 910 CG ARG A 59 8.501 4.747 8.651 1.00 0.00 C ATOM 911 CD ARG A 59 9.186 6.061 9.002 1.00 0.00 C ATOM 912 NE ARG A 59 8.226 7.154 9.181 1.00 0.00 N ATOM 913 CZ ARG A 59 8.496 8.435 8.928 1.00 0.00 C ATOM 914 NH1 ARG A 59 9.675 8.793 8.439 1.00 0.00 N ATOM 915 NH2 ARG A 59 7.573 9.358 9.155 1.00 0.00 N ATOM 0 H ARG A 59 5.756 4.450 5.555 1.00 0.00 H new ATOM 0 HA ARG A 59 7.839 2.762 6.811 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.447 5.163 6.554 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.992 5.624 7.414 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.807 4.473 9.445 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.244 3.952 8.590 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.765 5.934 9.917 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.891 6.324 8.213 1.00 0.00 H new ATOM 0 HE ARG A 59 7.293 6.920 9.520 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.386 8.086 8.253 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.871 9.776 8.249 1.00 0.00 H new ATOM 0 HH21 ARG A 59 6.661 9.087 9.522 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.775 10.339 8.963 1.00 0.00 H new ATOM 929 N TYR A 60 6.395 2.040 8.652 1.00 0.00 N ATOM 930 CA TYR A 60 5.575 1.576 9.757 1.00 0.00 C ATOM 931 C TYR A 60 6.063 2.193 11.060 1.00 0.00 C ATOM 932 O TYR A 60 7.260 2.184 11.353 1.00 0.00 O ATOM 933 CB TYR A 60 5.613 0.045 9.846 1.00 0.00 C ATOM 934 CG TYR A 60 4.915 -0.519 11.068 1.00 0.00 C ATOM 935 CD1 TYR A 60 3.531 -0.478 11.186 1.00 0.00 C ATOM 936 CD2 TYR A 60 5.645 -1.091 12.104 1.00 0.00 C ATOM 937 CE1 TYR A 60 2.894 -0.990 12.301 1.00 0.00 C ATOM 938 CE2 TYR A 60 5.015 -1.606 13.223 1.00 0.00 C ATOM 939 CZ TYR A 60 3.640 -1.553 13.316 1.00 0.00 C ATOM 940 OH TYR A 60 3.009 -2.066 14.429 1.00 0.00 O ATOM 0 H TYR A 60 7.232 1.481 8.486 1.00 0.00 H new ATOM 0 HA TYR A 60 4.544 1.885 9.584 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.151 -0.372 8.951 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.653 -0.283 9.850 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.943 -0.039 10.393 1.00 0.00 H new ATOM 0 HD2 TYR A 60 6.722 -1.134 12.034 1.00 0.00 H new ATOM 0 HE1 TYR A 60 1.817 -0.949 12.377 1.00 0.00 H new ATOM 0 HE2 TYR A 60 5.597 -2.047 14.019 1.00 0.00 H new ATOM 0 HH TYR A 60 3.678 -2.426 15.048 1.00 0.00 H new ATOM 950 N ASP A 61 5.138 2.732 11.831 1.00 0.00 N ATOM 951 CA ASP A 61 5.471 3.343 13.109 1.00 0.00 C ATOM 952 C ASP A 61 4.648 2.694 14.213 1.00 0.00 C ATOM 953 O ASP A 61 3.461 2.444 14.025 1.00 0.00 O ATOM 954 CB ASP A 61 5.208 4.851 13.057 1.00 0.00 C ATOM 955 CG ASP A 61 5.659 5.564 14.316 1.00 0.00 C ATOM 956 OD1 ASP A 61 6.841 5.951 14.391 1.00 0.00 O ATOM 957 OD2 ASP A 61 4.832 5.747 15.233 1.00 0.00 O ATOM 0 H ASP A 61 4.146 2.760 11.596 1.00 0.00 H new ATOM 0 HA ASP A 61 6.529 3.187 13.319 1.00 0.00 H new ATOM 0 HB2 ASP A 61 5.725 5.277 12.197 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.143 5.026 12.907 1.00 0.00 H new ATOM 962 N PRO A 62 5.265 2.394 15.370 1.00 0.00 N ATOM 963 CA PRO A 62 4.590 1.699 16.483 1.00 0.00 C ATOM 964 C PRO A 62 3.389 2.461 17.055 1.00 0.00 C ATOM 965 O PRO A 62 2.648 1.930 17.884 1.00 0.00 O ATOM 966 CB PRO A 62 5.689 1.567 17.545 1.00 0.00 C ATOM 967 CG PRO A 62 6.971 1.729 16.805 1.00 0.00 C ATOM 968 CD PRO A 62 6.677 2.677 15.681 1.00 0.00 C ATOM 0 HA PRO A 62 4.170 0.750 16.148 1.00 0.00 H new ATOM 0 HB2 PRO A 62 5.582 2.328 18.318 1.00 0.00 H new ATOM 0 HB3 PRO A 62 5.641 0.598 18.042 1.00 0.00 H new ATOM 0 HG2 PRO A 62 7.751 2.124 17.456 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.327 0.771 16.426 1.00 0.00 H new ATOM 0 HD2 PRO A 62 6.824 3.715 15.979 1.00 0.00 H new ATOM 0 HD3 PRO A 62 7.323 2.497 14.822 1.00 0.00 H new ATOM 976 N SER A 63 3.201 3.704 16.627 1.00 0.00 N ATOM 977 CA SER A 63 2.050 4.487 17.058 1.00 0.00 C ATOM 978 C SER A 63 0.875 4.239 16.116 1.00 0.00 C ATOM 979 O SER A 63 -0.279 4.513 16.448 1.00 0.00 O ATOM 980 CB SER A 63 2.399 5.975 17.078 1.00 0.00 C ATOM 981 OG SER A 63 3.727 6.175 17.535 1.00 0.00 O ATOM 0 H SER A 63 3.828 4.189 15.985 1.00 0.00 H new ATOM 0 HA SER A 63 1.772 4.180 18.066 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.287 6.393 16.077 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.703 6.508 17.726 1.00 0.00 H new ATOM 0 HG SER A 63 4.333 6.229 16.767 1.00 0.00 H new ATOM 987 N LEU A 64 1.178 3.699 14.944 1.00 0.00 N ATOM 988 CA LEU A 64 0.167 3.450 13.933 1.00 0.00 C ATOM 989 C LEU A 64 -0.391 2.042 14.059 1.00 0.00 C ATOM 990 O LEU A 64 0.350 1.062 14.013 1.00 0.00 O ATOM 991 CB LEU A 64 0.748 3.644 12.531 1.00 0.00 C ATOM 992 CG LEU A 64 1.163 5.074 12.185 1.00 0.00 C ATOM 993 CD1 LEU A 64 1.847 5.117 10.829 1.00 0.00 C ATOM 994 CD2 LEU A 64 -0.042 5.999 12.194 1.00 0.00 C ATOM 0 H LEU A 64 2.122 3.425 14.671 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.641 4.165 14.089 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.617 2.995 12.424 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.010 3.311 11.801 1.00 0.00 H new ATOM 0 HG LEU A 64 1.868 5.416 12.943 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.135 6.143 10.599 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.736 4.486 10.850 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.161 4.753 10.064 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.275 7.012 11.945 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.770 5.656 11.459 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.497 5.994 13.184 1.00 0.00 H new ATOM 1006 N SER A 65 -1.697 1.949 14.233 1.00 0.00 N ATOM 1007 CA SER A 65 -2.371 0.664 14.256 1.00 0.00 C ATOM 1008 C SER A 65 -2.647 0.205 12.825 1.00 0.00 C ATOM 1009 O SER A 65 -2.482 0.985 11.884 1.00 0.00 O ATOM 1010 CB SER A 65 -3.665 0.788 15.054 1.00 0.00 C ATOM 1011 OG SER A 65 -3.410 1.373 16.325 1.00 0.00 O ATOM 0 H SER A 65 -2.314 2.751 14.361 1.00 0.00 H new ATOM 0 HA SER A 65 -1.739 -0.082 14.737 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.382 1.397 14.504 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.116 -0.196 15.183 1.00 0.00 H new ATOM 0 HG SER A 65 -4.250 1.448 16.825 1.00 0.00 H new ATOM 1017 N TYR A 66 -3.086 -1.038 12.656 1.00 0.00 N ATOM 1018 CA TYR A 66 -3.288 -1.605 11.323 1.00 0.00 C ATOM 1019 C TYR A 66 -4.388 -0.863 10.568 1.00 0.00 C ATOM 1020 O TYR A 66 -4.422 -0.858 9.338 1.00 0.00 O ATOM 1021 CB TYR A 66 -3.642 -3.091 11.420 1.00 0.00 C ATOM 1022 CG TYR A 66 -2.559 -3.941 12.048 1.00 0.00 C ATOM 1023 CD1 TYR A 66 -1.445 -4.333 11.318 1.00 0.00 C ATOM 1024 CD2 TYR A 66 -2.652 -4.350 13.373 1.00 0.00 C ATOM 1025 CE1 TYR A 66 -0.455 -5.108 11.889 1.00 0.00 C ATOM 1026 CE2 TYR A 66 -1.667 -5.125 13.952 1.00 0.00 C ATOM 1027 CZ TYR A 66 -0.571 -5.501 13.206 1.00 0.00 C ATOM 1028 OH TYR A 66 0.412 -6.273 13.779 1.00 0.00 O ATOM 0 H TYR A 66 -3.309 -1.673 13.423 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.354 -1.494 10.772 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -4.558 -3.199 12.002 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.853 -3.470 10.420 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.351 -4.027 10.287 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.510 -4.056 13.960 1.00 0.00 H new ATOM 0 HE1 TYR A 66 0.405 -5.405 11.308 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.755 -5.435 14.983 1.00 0.00 H new ATOM 0 HH TYR A 66 0.178 -6.462 14.712 1.00 0.00 H new ATOM 1038 N ASN A 67 -5.279 -0.228 11.315 1.00 0.00 N ATOM 1039 CA ASN A 67 -6.385 0.517 10.728 1.00 0.00 C ATOM 1040 C ASN A 67 -5.982 1.956 10.416 1.00 0.00 C ATOM 1041 O ASN A 67 -6.774 2.724 9.868 1.00 0.00 O ATOM 1042 CB ASN A 67 -7.589 0.527 11.676 1.00 0.00 C ATOM 1043 CG ASN A 67 -8.258 -0.826 11.809 1.00 0.00 C ATOM 1044 OD1 ASN A 67 -7.623 -1.874 11.682 1.00 0.00 O ATOM 1045 ND2 ASN A 67 -9.553 -0.816 12.069 1.00 0.00 N ATOM 0 H ASN A 67 -5.258 -0.214 12.335 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.655 0.018 9.797 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.264 0.863 12.661 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.319 1.252 11.317 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -10.059 -1.695 12.171 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -10.047 0.071 12.168 1.00 0.00 H new ATOM 1052 N GLN A 68 -4.750 2.317 10.756 1.00 0.00 N ATOM 1053 CA GLN A 68 -4.296 3.695 10.621 1.00 0.00 C ATOM 1054 C GLN A 68 -3.330 3.847 9.453 1.00 0.00 C ATOM 1055 O GLN A 68 -2.855 2.861 8.886 1.00 0.00 O ATOM 1056 CB GLN A 68 -3.631 4.170 11.916 1.00 0.00 C ATOM 1057 CG GLN A 68 -4.553 4.126 13.123 1.00 0.00 C ATOM 1058 CD GLN A 68 -5.836 4.907 12.907 1.00 0.00 C ATOM 1059 OE1 GLN A 68 -6.837 4.363 12.447 1.00 0.00 O ATOM 1060 NE2 GLN A 68 -5.815 6.188 13.232 1.00 0.00 N ATOM 0 H GLN A 68 -4.049 1.675 11.127 1.00 0.00 H new ATOM 0 HA GLN A 68 -5.171 4.314 10.423 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -2.756 3.550 12.114 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -3.274 5.191 11.779 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -4.798 3.089 13.351 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -4.029 4.528 13.990 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -4.964 6.604 13.611 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -6.649 6.761 13.103 1.00 0.00 H new ATOM 1069 N THR A 69 -3.042 5.094 9.107 1.00 0.00 N ATOM 1070 CA THR A 69 -2.178 5.405 7.983 1.00 0.00 C ATOM 1071 C THR A 69 -1.661 6.847 8.106 1.00 0.00 C ATOM 1072 O THR A 69 -1.510 7.362 9.216 1.00 0.00 O ATOM 1073 CB THR A 69 -2.933 5.192 6.641 1.00 0.00 C ATOM 1074 OG1 THR A 69 -2.061 5.410 5.521 1.00 0.00 O ATOM 1075 CG2 THR A 69 -4.150 6.105 6.535 1.00 0.00 C ATOM 0 H THR A 69 -3.400 5.914 9.597 1.00 0.00 H new ATOM 0 HA THR A 69 -1.322 4.730 7.993 1.00 0.00 H new ATOM 0 HB THR A 69 -3.277 4.158 6.625 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.442 4.988 4.723 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.654 5.930 5.585 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.836 5.893 7.355 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.830 7.146 6.590 1.00 0.00 H new ATOM 1083 N ASN A 70 -1.403 7.487 6.975 1.00 0.00 N ATOM 1084 CA ASN A 70 -0.849 8.835 6.950 1.00 0.00 C ATOM 1085 C ASN A 70 -1.963 9.860 6.679 1.00 0.00 C ATOM 1086 O ASN A 70 -3.108 9.461 6.463 1.00 0.00 O ATOM 1087 CB ASN A 70 0.268 8.919 5.883 1.00 0.00 C ATOM 1088 CG ASN A 70 -0.221 8.944 4.438 1.00 0.00 C ATOM 1089 OD1 ASN A 70 0.433 9.528 3.577 1.00 0.00 O ATOM 1090 ND2 ASN A 70 -1.356 8.321 4.155 1.00 0.00 N ATOM 0 H ASN A 70 -1.571 7.089 6.051 1.00 0.00 H new ATOM 0 HA ASN A 70 -0.412 9.068 7.921 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.858 9.817 6.067 1.00 0.00 H new ATOM 0 HB3 ASN A 70 0.936 8.067 6.010 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -1.711 8.317 3.199 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -1.875 7.846 4.893 1.00 0.00 H new ATOM 1097 N PRO A 71 -1.647 11.181 6.732 1.00 0.00 N ATOM 1098 CA PRO A 71 -2.612 12.285 6.557 1.00 0.00 C ATOM 1099 C PRO A 71 -3.700 12.043 5.507 1.00 0.00 C ATOM 1100 O PRO A 71 -3.499 11.336 4.510 1.00 0.00 O ATOM 1101 CB PRO A 71 -1.731 13.474 6.132 1.00 0.00 C ATOM 1102 CG PRO A 71 -0.313 12.984 6.172 1.00 0.00 C ATOM 1103 CD PRO A 71 -0.317 11.730 6.997 1.00 0.00 C ATOM 0 HA PRO A 71 -3.175 12.431 7.479 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.996 13.816 5.132 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -1.869 14.320 6.805 1.00 0.00 H new ATOM 0 HG2 PRO A 71 0.057 12.785 5.166 1.00 0.00 H new ATOM 0 HG3 PRO A 71 0.344 13.735 6.611 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.473 11.043 6.695 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -0.168 11.941 8.056 1.00 0.00 H new ATOM 1111 N THR A 72 -4.854 12.661 5.747 1.00 0.00 N ATOM 1112 CA THR A 72 -6.014 12.532 4.878 1.00 0.00 C ATOM 1113 C THR A 72 -5.709 13.005 3.455 1.00 0.00 C ATOM 1114 O THR A 72 -5.008 13.999 3.252 1.00 0.00 O ATOM 1115 CB THR A 72 -7.199 13.338 5.443 1.00 0.00 C ATOM 1116 OG1 THR A 72 -7.345 13.063 6.841 1.00 0.00 O ATOM 1117 CG2 THR A 72 -8.494 12.985 4.723 1.00 0.00 C ATOM 0 H THR A 72 -5.008 13.267 6.553 1.00 0.00 H new ATOM 0 HA THR A 72 -6.275 11.474 4.839 1.00 0.00 H new ATOM 0 HB THR A 72 -6.994 14.398 5.290 1.00 0.00 H new ATOM 0 HG1 THR A 72 -8.098 13.578 7.199 1.00 0.00 H new ATOM 0 HG21 THR A 72 -9.314 13.568 5.142 1.00 0.00 H new ATOM 0 HG22 THR A 72 -8.393 13.211 3.661 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.703 11.923 4.850 1.00 0.00 H new ATOM 1125 N GLY A 73 -6.257 12.290 2.485 1.00 0.00 N ATOM 1126 CA GLY A 73 -5.984 12.572 1.089 1.00 0.00 C ATOM 1127 C GLY A 73 -5.761 11.288 0.330 1.00 0.00 C ATOM 1128 O GLY A 73 -5.764 11.259 -0.901 1.00 0.00 O ATOM 0 H GLY A 73 -6.894 11.509 2.642 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -6.818 13.121 0.652 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -5.104 13.210 1.005 1.00 0.00 H new ATOM 1132 N CYS A 74 -5.563 10.222 1.092 1.00 0.00 N ATOM 1133 CA CYS A 74 -5.383 8.892 0.547 1.00 0.00 C ATOM 1134 C CYS A 74 -6.690 8.094 0.641 1.00 0.00 C ATOM 1135 O CYS A 74 -7.775 8.674 0.561 1.00 0.00 O ATOM 1136 CB CYS A 74 -4.248 8.196 1.304 1.00 0.00 C ATOM 1137 SG CYS A 74 -4.385 8.324 3.103 1.00 0.00 S ATOM 0 H CYS A 74 -5.523 10.260 2.111 1.00 0.00 H new ATOM 0 HA CYS A 74 -5.117 8.956 -0.508 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -4.230 7.143 1.024 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -3.297 8.626 0.990 1.00 0.00 H new ATOM 0 HG CYS A 74 -4.016 9.511 3.483 1.00 0.00 H new ATOM 1143 N LEU A 75 -6.571 6.776 0.824 1.00 0.00 N ATOM 1144 CA LEU A 75 -7.715 5.854 0.792 1.00 0.00 C ATOM 1145 C LEU A 75 -8.298 5.763 -0.615 1.00 0.00 C ATOM 1146 O LEU A 75 -9.105 6.595 -1.030 1.00 0.00 O ATOM 1147 CB LEU A 75 -8.811 6.239 1.803 1.00 0.00 C ATOM 1148 CG LEU A 75 -8.484 5.968 3.278 1.00 0.00 C ATOM 1149 CD1 LEU A 75 -7.836 4.603 3.436 1.00 0.00 C ATOM 1150 CD2 LEU A 75 -7.597 7.060 3.856 1.00 0.00 C ATOM 0 H LEU A 75 -5.678 6.315 0.999 1.00 0.00 H new ATOM 0 HA LEU A 75 -7.337 4.874 1.084 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.028 7.301 1.688 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.722 5.698 1.547 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.419 5.973 3.838 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.611 4.427 4.488 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.518 3.833 3.077 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.913 4.569 2.857 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -7.383 6.839 4.902 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -6.663 7.104 3.296 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.109 8.020 3.785 1.00 0.00 H new ATOM 1162 N TYR A 76 -7.883 4.739 -1.347 1.00 0.00 N ATOM 1163 CA TYR A 76 -8.275 4.600 -2.738 1.00 0.00 C ATOM 1164 C TYR A 76 -9.615 3.896 -2.852 1.00 0.00 C ATOM 1165 O TYR A 76 -9.686 2.670 -2.924 1.00 0.00 O ATOM 1166 CB TYR A 76 -7.212 3.837 -3.537 1.00 0.00 C ATOM 1167 CG TYR A 76 -7.416 3.896 -5.040 1.00 0.00 C ATOM 1168 CD1 TYR A 76 -7.070 5.035 -5.757 1.00 0.00 C ATOM 1169 CD2 TYR A 76 -7.956 2.820 -5.739 1.00 0.00 C ATOM 1170 CE1 TYR A 76 -7.254 5.104 -7.123 1.00 0.00 C ATOM 1171 CE2 TYR A 76 -8.142 2.883 -7.110 1.00 0.00 C ATOM 1172 CZ TYR A 76 -7.789 4.028 -7.796 1.00 0.00 C ATOM 1173 OH TYR A 76 -7.969 4.101 -9.163 1.00 0.00 O ATOM 0 H TYR A 76 -7.277 3.996 -1.000 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.368 5.602 -3.157 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -6.229 4.243 -3.297 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.212 2.794 -3.220 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -6.649 5.882 -5.236 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -8.234 1.923 -5.205 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -6.979 5.999 -7.662 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -8.561 2.040 -7.640 1.00 0.00 H new ATOM 0 HH TYR A 76 -8.355 3.261 -9.487 1.00 0.00 H new ATOM 1183 N ASN A 77 -10.676 4.681 -2.824 1.00 0.00 N ATOM 1184 CA ASN A 77 -12.004 4.171 -3.108 1.00 0.00 C ATOM 1185 C ASN A 77 -12.185 4.108 -4.616 1.00 0.00 C ATOM 1186 O ASN A 77 -11.606 4.936 -5.324 1.00 0.00 O ATOM 1187 CB ASN A 77 -13.079 5.059 -2.471 1.00 0.00 C ATOM 1188 CG ASN A 77 -13.157 4.897 -0.965 1.00 0.00 C ATOM 1189 OD1 ASN A 77 -13.918 4.077 -0.460 1.00 0.00 O ATOM 1190 ND2 ASN A 77 -12.371 5.677 -0.235 1.00 0.00 N ATOM 0 H ASN A 77 -10.643 5.677 -2.607 1.00 0.00 H new ATOM 0 HA ASN A 77 -12.111 3.174 -2.681 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -12.871 6.102 -2.710 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -14.048 4.819 -2.909 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -12.386 5.607 0.782 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -11.752 6.347 -0.691 1.00 0.00 H new