USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 338 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 47 CYS SG : rot 180:sc= 0.138 USER MOD Set 1.2: A 48 THR OG1 : rot 36:sc= -0.322! USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= -1.7 K(o=-1.7,f=-3.3) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 80:sc= 0.181 USER MOD Single : A 30 SER OG : rot 180:sc= 0.0031 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.0265 X(o=-0.026,f=-0.33) USER MOD Single : A 40 SER OG : rot 140:sc= -3.87! USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= -4.35! C(o=-4.3!,f=-11!) USER MOD Single : A 50 LYS NZ :NH3+ -106:sc= -7.38! (180deg=-14.2!) USER MOD ----------------------------------------------------------------- ATOM 85 N VAL A 6 3.472 -16.553 12.115 1.00 0.00 N ATOM 86 CA VAL A 6 4.446 -15.620 11.573 1.00 0.00 C ATOM 87 C VAL A 6 4.474 -14.360 12.440 1.00 0.00 C ATOM 88 O VAL A 6 5.544 -13.884 12.814 1.00 0.00 O ATOM 89 CB VAL A 6 4.130 -15.329 10.104 1.00 0.00 C ATOM 90 CG1 VAL A 6 2.709 -14.782 9.947 1.00 0.00 C ATOM 91 CG2 VAL A 6 5.157 -14.367 9.503 1.00 0.00 C ATOM 0 HA VAL A 6 5.446 -16.053 11.596 1.00 0.00 H new ATOM 0 HB VAL A 6 4.190 -16.269 9.555 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.510 -14.584 8.894 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.994 -15.515 10.320 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.610 -13.857 10.515 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.910 -14.177 8.459 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.143 -13.428 10.056 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.151 -14.810 9.566 1.00 0.00 H new ATOM 101 N ILE A 7 3.285 -13.855 12.734 1.00 0.00 N ATOM 102 CA ILE A 7 3.160 -12.659 13.550 1.00 0.00 C ATOM 103 C ILE A 7 3.576 -12.981 14.986 1.00 0.00 C ATOM 104 O ILE A 7 3.991 -12.094 15.730 1.00 0.00 O ATOM 105 CB ILE A 7 1.750 -12.076 13.434 1.00 0.00 C ATOM 106 CG1 ILE A 7 1.451 -11.648 11.996 1.00 0.00 C ATOM 107 CG2 ILE A 7 1.547 -10.931 14.428 1.00 0.00 C ATOM 108 CD1 ILE A 7 0.433 -12.586 11.345 1.00 0.00 C ATOM 0 H ILE A 7 2.399 -14.252 12.422 1.00 0.00 H new ATOM 0 HA ILE A 7 3.832 -11.880 13.190 1.00 0.00 H new ATOM 0 HB ILE A 7 1.034 -12.857 13.693 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.067 -10.628 11.989 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.373 -11.646 11.414 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.537 -10.534 14.325 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.690 -11.301 15.443 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.270 -10.141 14.225 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.238 -12.259 10.324 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.830 -13.601 11.332 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.496 -12.567 11.915 1.00 0.00 H new ATOM 119 N GLN A 8 3.450 -14.254 15.334 1.00 0.00 N ATOM 120 CA GLN A 8 3.807 -14.703 16.668 1.00 0.00 C ATOM 121 C GLN A 8 5.303 -14.496 16.915 1.00 0.00 C ATOM 122 O GLN A 8 5.693 -13.894 17.915 1.00 0.00 O ATOM 123 CB GLN A 8 3.416 -16.168 16.876 1.00 0.00 C ATOM 124 CG GLN A 8 2.660 -16.351 18.194 1.00 0.00 C ATOM 125 CD GLN A 8 3.620 -16.319 19.385 1.00 0.00 C ATOM 126 OE1 GLN A 8 3.861 -15.289 19.993 1.00 0.00 O ATOM 127 NE2 GLN A 8 4.150 -17.501 19.684 1.00 0.00 N ATOM 0 H GLN A 8 3.106 -14.988 14.715 1.00 0.00 H new ATOM 0 HA GLN A 8 3.252 -14.106 17.392 1.00 0.00 H new ATOM 0 HB2 GLN A 8 2.794 -16.504 16.046 1.00 0.00 H new ATOM 0 HB3 GLN A 8 4.311 -16.791 16.876 1.00 0.00 H new ATOM 0 HG2 GLN A 8 1.914 -15.563 18.302 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.123 -17.299 18.181 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.905 -18.324 19.133 1.00 0.00 H new ATOM 0 HE22 GLN A 8 4.802 -17.585 20.464 1.00 0.00 H new ATOM 134 N ALA A 9 6.100 -15.006 15.988 1.00 0.00 N ATOM 135 CA ALA A 9 7.545 -14.884 16.093 1.00 0.00 C ATOM 136 C ALA A 9 7.933 -13.406 16.030 1.00 0.00 C ATOM 137 O ALA A 9 8.638 -12.908 16.906 1.00 0.00 O ATOM 138 CB ALA A 9 8.207 -15.708 14.988 1.00 0.00 C ATOM 0 H ALA A 9 5.773 -15.505 15.160 1.00 0.00 H new ATOM 0 HA ALA A 9 7.896 -15.276 17.048 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.290 -15.617 15.066 1.00 0.00 H new ATOM 0 HB2 ALA A 9 7.922 -16.755 15.094 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.881 -15.340 14.015 1.00 0.00 H new ATOM 144 N ILE A 10 7.455 -12.745 14.985 1.00 0.00 N ATOM 145 CA ILE A 10 7.744 -11.333 14.797 1.00 0.00 C ATOM 146 C ILE A 10 7.349 -10.564 16.059 1.00 0.00 C ATOM 147 O ILE A 10 7.873 -9.482 16.320 1.00 0.00 O ATOM 148 CB ILE A 10 7.072 -10.814 13.524 1.00 0.00 C ATOM 149 CG1 ILE A 10 7.629 -11.515 12.284 1.00 0.00 C ATOM 150 CG2 ILE A 10 7.190 -9.292 13.424 1.00 0.00 C ATOM 151 CD1 ILE A 10 9.118 -11.212 12.106 1.00 0.00 C ATOM 0 H ILE A 10 6.870 -13.161 14.260 1.00 0.00 H new ATOM 0 HA ILE A 10 8.813 -11.178 14.651 1.00 0.00 H new ATOM 0 HB ILE A 10 6.010 -11.052 13.577 1.00 0.00 H new ATOM 0 HG12 ILE A 10 7.481 -12.591 12.373 1.00 0.00 H new ATOM 0 HG13 ILE A 10 7.080 -11.190 11.400 1.00 0.00 H new ATOM 0 HG21 ILE A 10 6.704 -8.949 12.511 1.00 0.00 H new ATOM 0 HG22 ILE A 10 6.707 -8.832 14.286 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.242 -9.009 13.404 1.00 0.00 H new ATOM 0 HD11 ILE A 10 9.489 -11.722 11.217 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.260 -10.137 11.993 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.667 -11.560 12.981 1.00 0.00 H new ATOM 162 N GLN A 11 6.428 -11.153 16.808 1.00 0.00 N ATOM 163 CA GLN A 11 5.957 -10.535 18.037 1.00 0.00 C ATOM 164 C GLN A 11 7.050 -10.582 19.107 1.00 0.00 C ATOM 165 O GLN A 11 7.112 -9.712 19.974 1.00 0.00 O ATOM 166 CB GLN A 11 4.677 -11.209 18.532 1.00 0.00 C ATOM 167 CG GLN A 11 3.499 -10.233 18.508 1.00 0.00 C ATOM 168 CD GLN A 11 2.235 -10.912 17.977 1.00 0.00 C ATOM 169 OE1 GLN A 11 2.081 -12.121 18.026 1.00 0.00 O ATOM 170 NE2 GLN A 11 1.341 -10.069 17.468 1.00 0.00 N ATOM 0 H GLN A 11 5.996 -12.050 16.588 1.00 0.00 H new ATOM 0 HA GLN A 11 5.723 -9.491 17.830 1.00 0.00 H new ATOM 0 HB2 GLN A 11 4.451 -12.073 17.906 1.00 0.00 H new ATOM 0 HB3 GLN A 11 4.826 -11.580 19.546 1.00 0.00 H new ATOM 0 HG2 GLN A 11 3.317 -9.853 19.513 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.746 -9.375 17.882 1.00 0.00 H new ATOM 0 HE21 GLN A 11 1.533 -9.067 17.458 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.464 -10.424 17.088 1.00 0.00 H new ATOM 177 N LYS A 12 7.886 -11.604 19.010 1.00 0.00 N ATOM 178 CA LYS A 12 8.974 -11.775 19.959 1.00 0.00 C ATOM 179 C LYS A 12 10.049 -10.720 19.690 1.00 0.00 C ATOM 180 O LYS A 12 10.662 -10.202 20.622 1.00 0.00 O ATOM 181 CB LYS A 12 9.498 -13.212 19.919 1.00 0.00 C ATOM 182 CG LYS A 12 8.364 -14.216 20.137 1.00 0.00 C ATOM 183 CD LYS A 12 7.755 -14.061 21.532 1.00 0.00 C ATOM 184 CE LYS A 12 7.464 -15.427 22.158 1.00 0.00 C ATOM 185 NZ LYS A 12 6.561 -15.282 23.321 1.00 0.00 N ATOM 0 H LYS A 12 7.833 -12.323 18.289 1.00 0.00 H new ATOM 0 HA LYS A 12 8.620 -11.618 20.978 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.977 -13.402 18.958 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.260 -13.346 20.687 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.593 -14.069 19.381 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.743 -15.230 20.012 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.439 -13.502 22.171 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.833 -13.482 21.468 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.009 -16.084 21.417 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.397 -15.897 22.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.374 -16.218 23.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.009 -14.672 24.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.665 -14.854 23.013 1.00 0.00 H new ATOM 195 N SER A 13 10.246 -10.433 18.412 1.00 0.00 N ATOM 196 CA SER A 13 11.237 -9.450 18.009 1.00 0.00 C ATOM 197 C SER A 13 10.648 -8.041 18.112 1.00 0.00 C ATOM 198 O SER A 13 11.384 -7.066 18.253 1.00 0.00 O ATOM 199 CB SER A 13 11.729 -9.716 16.585 1.00 0.00 C ATOM 200 OG SER A 13 12.247 -11.035 16.436 1.00 0.00 O ATOM 0 H SER A 13 9.736 -10.864 17.641 1.00 0.00 H new ATOM 0 HA SER A 13 12.091 -9.530 18.681 1.00 0.00 H new ATOM 0 HB2 SER A 13 10.907 -9.568 15.884 1.00 0.00 H new ATOM 0 HB3 SER A 13 12.502 -8.992 16.327 1.00 0.00 H new ATOM 0 HG SER A 13 12.549 -11.166 15.513 1.00 0.00 H new ATOM 205 N ASP A 14 9.326 -7.981 18.040 1.00 0.00 N ATOM 206 CA ASP A 14 8.631 -6.708 18.124 1.00 0.00 C ATOM 207 C ASP A 14 8.447 -6.328 19.594 1.00 0.00 C ATOM 208 O ASP A 14 8.333 -5.149 19.925 1.00 0.00 O ATOM 209 CB ASP A 14 7.245 -6.793 17.481 1.00 0.00 C ATOM 210 CG ASP A 14 7.198 -6.437 15.995 1.00 0.00 C ATOM 211 OD1 ASP A 14 8.286 -6.430 15.377 1.00 0.00 O ATOM 212 OD2 ASP A 14 6.076 -6.177 15.507 1.00 0.00 O ATOM 0 H ASP A 14 8.719 -8.792 17.925 1.00 0.00 H new ATOM 0 HA ASP A 14 9.228 -5.963 17.597 1.00 0.00 H new ATOM 0 HB2 ASP A 14 6.864 -7.806 17.608 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.570 -6.128 18.020 1.00 0.00 H new ATOM 216 N GLU A 15 8.423 -7.349 20.437 1.00 0.00 N ATOM 217 CA GLU A 15 8.255 -7.137 21.865 1.00 0.00 C ATOM 218 C GLU A 15 9.610 -7.201 22.574 1.00 0.00 C ATOM 219 O GLU A 15 9.783 -6.615 23.641 1.00 0.00 O ATOM 220 CB GLU A 15 7.277 -8.153 22.458 1.00 0.00 C ATOM 221 CG GLU A 15 5.851 -7.892 21.969 1.00 0.00 C ATOM 222 CD GLU A 15 4.847 -8.782 22.704 1.00 0.00 C ATOM 223 OE1 GLU A 15 4.987 -8.892 23.942 1.00 0.00 O ATOM 224 OE2 GLU A 15 3.964 -9.332 22.013 1.00 0.00 O ATOM 0 H GLU A 15 8.517 -8.326 20.159 1.00 0.00 H new ATOM 0 HA GLU A 15 7.833 -6.144 22.019 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.582 -9.162 22.179 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.307 -8.100 23.546 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.595 -6.844 22.125 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.791 -8.079 20.897 1.00 0.00 H new ATOM 304 N ALA A 21 10.571 -0.186 20.852 1.00 0.00 N ATOM 305 CA ALA A 21 9.374 -1.005 20.753 1.00 0.00 C ATOM 306 C ALA A 21 8.207 -0.282 21.426 1.00 0.00 C ATOM 307 O ALA A 21 7.049 -0.508 21.082 1.00 0.00 O ATOM 308 CB ALA A 21 9.644 -2.378 21.371 1.00 0.00 C ATOM 0 HA ALA A 21 9.103 -1.164 19.709 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.747 -2.993 21.297 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.461 -2.863 20.837 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.916 -2.258 22.420 1.00 0.00 H new ATOM 314 N TYR A 22 8.554 0.575 22.376 1.00 0.00 N ATOM 315 CA TYR A 22 7.549 1.334 23.102 1.00 0.00 C ATOM 316 C TYR A 22 6.713 2.191 22.147 1.00 0.00 C ATOM 317 O TYR A 22 5.567 2.521 22.447 1.00 0.00 O ATOM 318 CB TYR A 22 8.319 2.254 24.051 1.00 0.00 C ATOM 319 CG TYR A 22 7.511 2.710 25.268 1.00 0.00 C ATOM 320 CD1 TYR A 22 7.461 1.920 26.398 1.00 0.00 C ATOM 321 CD2 TYR A 22 6.834 3.911 25.235 1.00 0.00 C ATOM 322 CE1 TYR A 22 6.700 2.349 27.543 1.00 0.00 C ATOM 323 CE2 TYR A 22 6.074 4.340 26.380 1.00 0.00 C ATOM 324 CZ TYR A 22 6.045 3.538 27.477 1.00 0.00 C ATOM 325 OH TYR A 22 5.326 3.944 28.559 1.00 0.00 O ATOM 0 H TYR A 22 9.516 0.760 22.659 1.00 0.00 H new ATOM 0 HA TYR A 22 6.869 0.664 23.629 1.00 0.00 H new ATOM 0 HB2 TYR A 22 9.214 1.736 24.395 1.00 0.00 H new ATOM 0 HB3 TYR A 22 8.651 3.133 23.498 1.00 0.00 H new ATOM 0 HD1 TYR A 22 7.992 0.980 26.424 1.00 0.00 H new ATOM 0 HD2 TYR A 22 6.874 4.529 24.351 1.00 0.00 H new ATOM 0 HE1 TYR A 22 6.651 1.740 28.434 1.00 0.00 H new ATOM 0 HE2 TYR A 22 5.539 5.278 26.368 1.00 0.00 H new ATOM 0 HH TYR A 22 4.912 4.812 28.370 1.00 0.00 H new ATOM 334 N LEU A 23 7.320 2.526 21.019 1.00 0.00 N ATOM 335 CA LEU A 23 6.648 3.337 20.019 1.00 0.00 C ATOM 336 C LEU A 23 5.724 2.448 19.185 1.00 0.00 C ATOM 337 O LEU A 23 4.528 2.716 19.077 1.00 0.00 O ATOM 338 CB LEU A 23 7.667 4.117 19.186 1.00 0.00 C ATOM 339 CG LEU A 23 7.406 5.617 19.040 1.00 0.00 C ATOM 340 CD1 LEU A 23 6.097 5.876 18.293 1.00 0.00 C ATOM 341 CD2 LEU A 23 7.437 6.314 20.403 1.00 0.00 C ATOM 0 H LEU A 23 8.271 2.250 20.775 1.00 0.00 H new ATOM 0 HA LEU A 23 6.021 4.089 20.498 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.652 3.982 19.633 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.706 3.676 18.190 1.00 0.00 H new ATOM 0 HG LEU A 23 8.208 6.047 18.440 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.936 6.950 18.203 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.152 5.433 17.299 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.269 5.430 18.844 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.249 7.379 20.271 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.669 5.887 21.048 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.416 6.173 20.862 1.00 0.00 H new ATOM 352 N GLU A 24 6.312 1.406 18.616 1.00 0.00 N ATOM 353 CA GLU A 24 5.556 0.475 17.794 1.00 0.00 C ATOM 354 C GLU A 24 4.481 -0.220 18.633 1.00 0.00 C ATOM 355 O GLU A 24 3.448 -0.629 18.105 1.00 0.00 O ATOM 356 CB GLU A 24 6.482 -0.548 17.132 1.00 0.00 C ATOM 357 CG GLU A 24 6.772 -1.716 18.076 1.00 0.00 C ATOM 358 CD GLU A 24 5.859 -2.906 17.773 1.00 0.00 C ATOM 359 OE1 GLU A 24 6.070 -3.525 16.709 1.00 0.00 O ATOM 360 OE2 GLU A 24 4.972 -3.168 18.614 1.00 0.00 O ATOM 0 H GLU A 24 7.304 1.185 18.708 1.00 0.00 H new ATOM 0 HA GLU A 24 5.063 1.037 17.000 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.023 -0.921 16.217 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.417 -0.066 16.846 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.814 -2.018 17.977 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.630 -1.398 19.109 1.00 0.00 H new ATOM 365 N SER A 25 4.761 -0.330 19.922 1.00 0.00 N ATOM 366 CA SER A 25 3.831 -0.970 20.838 1.00 0.00 C ATOM 367 C SER A 25 2.458 -0.301 20.739 1.00 0.00 C ATOM 368 O SER A 25 1.444 -0.980 20.584 1.00 0.00 O ATOM 369 CB SER A 25 4.347 -0.911 22.277 1.00 0.00 C ATOM 370 OG SER A 25 5.097 -2.073 22.623 1.00 0.00 O ATOM 0 H SER A 25 5.618 0.013 20.355 1.00 0.00 H new ATOM 0 HA SER A 25 3.739 -2.019 20.556 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.971 -0.026 22.403 1.00 0.00 H new ATOM 0 HB3 SER A 25 3.504 -0.806 22.960 1.00 0.00 H new ATOM 0 HG SER A 25 6.007 -1.993 22.267 1.00 0.00 H new ATOM 375 N GLU A 26 2.469 1.020 20.833 1.00 0.00 N ATOM 376 CA GLU A 26 1.238 1.787 20.757 1.00 0.00 C ATOM 377 C GLU A 26 0.486 1.454 19.467 1.00 0.00 C ATOM 378 O GLU A 26 -0.738 1.571 19.410 1.00 0.00 O ATOM 379 CB GLU A 26 1.520 3.288 20.856 1.00 0.00 C ATOM 380 CG GLU A 26 0.884 3.883 22.114 1.00 0.00 C ATOM 381 CD GLU A 26 1.447 5.276 22.405 1.00 0.00 C ATOM 382 OE1 GLU A 26 0.975 6.227 21.744 1.00 0.00 O ATOM 383 OE2 GLU A 26 2.334 5.359 23.281 1.00 0.00 O ATOM 0 H GLU A 26 3.312 1.579 20.961 1.00 0.00 H new ATOM 0 HA GLU A 26 0.608 1.513 21.603 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.596 3.459 20.872 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.130 3.794 19.973 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.197 3.943 21.986 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.069 3.227 22.965 1.00 0.00 H new ATOM 388 N VAL A 27 1.247 1.046 18.463 1.00 0.00 N ATOM 389 CA VAL A 27 0.667 0.695 17.178 1.00 0.00 C ATOM 390 C VAL A 27 0.118 -0.731 17.244 1.00 0.00 C ATOM 391 O VAL A 27 -1.015 -0.983 16.838 1.00 0.00 O ATOM 392 CB VAL A 27 1.702 0.887 16.067 1.00 0.00 C ATOM 393 CG1 VAL A 27 1.147 0.432 14.716 1.00 0.00 C ATOM 394 CG2 VAL A 27 2.176 2.341 16.004 1.00 0.00 C ATOM 0 H VAL A 27 2.261 0.950 18.513 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.169 1.354 16.943 1.00 0.00 H new ATOM 0 HB VAL A 27 2.565 0.264 16.302 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.902 0.579 13.944 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.883 -0.624 14.768 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.260 1.016 14.472 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.911 2.450 15.206 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.325 2.993 15.805 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.630 2.617 16.956 1.00 0.00 H new ATOM 404 N ALA A 28 0.948 -1.628 17.756 1.00 0.00 N ATOM 405 CA ALA A 28 0.560 -3.023 17.881 1.00 0.00 C ATOM 406 C ALA A 28 -0.608 -3.137 18.862 1.00 0.00 C ATOM 407 O ALA A 28 -1.362 -4.109 18.826 1.00 0.00 O ATOM 408 CB ALA A 28 1.769 -3.854 18.313 1.00 0.00 C ATOM 0 H ALA A 28 1.888 -1.416 18.089 1.00 0.00 H new ATOM 0 HA ALA A 28 0.223 -3.415 16.921 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.477 -4.900 18.406 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.558 -3.763 17.567 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.135 -3.492 19.274 1.00 0.00 H new ATOM 414 N ILE A 29 -0.719 -2.132 19.718 1.00 0.00 N ATOM 415 CA ILE A 29 -1.782 -2.108 20.709 1.00 0.00 C ATOM 416 C ILE A 29 -3.126 -1.915 20.004 1.00 0.00 C ATOM 417 O ILE A 29 -4.154 -2.402 20.474 1.00 0.00 O ATOM 418 CB ILE A 29 -1.492 -1.054 21.780 1.00 0.00 C ATOM 419 CG1 ILE A 29 -1.762 -1.608 23.181 1.00 0.00 C ATOM 420 CG2 ILE A 29 -2.278 0.231 21.511 1.00 0.00 C ATOM 421 CD1 ILE A 29 -3.264 -1.677 23.464 1.00 0.00 C ATOM 0 H ILE A 29 -0.091 -1.329 19.746 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.833 -3.060 21.237 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.433 -0.800 21.732 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.325 -2.602 23.273 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.277 -0.977 23.925 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.054 0.964 22.286 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.995 0.634 20.539 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.346 0.012 21.516 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.428 -2.074 24.466 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.694 -0.678 23.395 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.742 -2.329 22.733 1.00 0.00 H new ATOM 432 N SER A 30 -3.076 -1.203 18.888 1.00 0.00 N ATOM 433 CA SER A 30 -4.278 -0.940 18.114 1.00 0.00 C ATOM 434 C SER A 30 -4.735 -2.217 17.406 1.00 0.00 C ATOM 435 O SER A 30 -5.920 -2.384 17.123 1.00 0.00 O ATOM 436 CB SER A 30 -4.042 0.176 17.094 1.00 0.00 C ATOM 437 OG SER A 30 -3.141 1.165 17.584 1.00 0.00 O ATOM 0 H SER A 30 -2.223 -0.800 18.501 1.00 0.00 H new ATOM 0 HA SER A 30 -5.060 -0.612 18.798 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.645 -0.252 16.174 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.993 0.645 16.843 1.00 0.00 H new ATOM 0 HG SER A 30 -3.015 1.859 16.903 1.00 0.00 H new ATOM 442 N GLU A 31 -3.771 -3.087 17.142 1.00 0.00 N ATOM 443 CA GLU A 31 -4.060 -4.344 16.474 1.00 0.00 C ATOM 444 C GLU A 31 -5.030 -5.179 17.311 1.00 0.00 C ATOM 445 O GLU A 31 -5.771 -6.001 16.773 1.00 0.00 O ATOM 446 CB GLU A 31 -2.773 -5.121 16.186 1.00 0.00 C ATOM 447 CG GLU A 31 -3.083 -6.488 15.571 1.00 0.00 C ATOM 448 CD GLU A 31 -3.468 -6.351 14.097 1.00 0.00 C ATOM 449 OE1 GLU A 31 -2.564 -6.009 13.305 1.00 0.00 O ATOM 450 OE2 GLU A 31 -4.657 -6.591 13.796 1.00 0.00 O ATOM 0 H GLU A 31 -2.789 -2.946 17.379 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.534 -4.124 15.517 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.142 -4.547 15.507 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.209 -5.253 17.110 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.213 -7.139 15.665 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.896 -6.962 16.121 1.00 0.00 H new ATOM 455 N GLU A 32 -4.994 -4.942 18.614 1.00 0.00 N ATOM 456 CA GLU A 32 -5.861 -5.662 19.531 1.00 0.00 C ATOM 457 C GLU A 32 -7.241 -5.004 19.584 1.00 0.00 C ATOM 458 O GLU A 32 -8.247 -5.681 19.787 1.00 0.00 O ATOM 459 CB GLU A 32 -5.237 -5.742 20.925 1.00 0.00 C ATOM 460 CG GLU A 32 -5.021 -7.197 21.346 1.00 0.00 C ATOM 461 CD GLU A 32 -4.189 -7.279 22.628 1.00 0.00 C ATOM 462 OE1 GLU A 32 -2.945 -7.264 22.499 1.00 0.00 O ATOM 463 OE2 GLU A 32 -4.814 -7.355 23.707 1.00 0.00 O ATOM 0 H GLU A 32 -4.377 -4.261 19.057 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.981 -6.681 19.163 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.284 -5.212 20.932 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.884 -5.243 21.646 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.985 -7.681 21.502 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.518 -7.740 20.546 1.00 0.00 H new ATOM 468 N LEU A 33 -7.244 -3.693 19.396 1.00 0.00 N ATOM 469 CA LEU A 33 -8.484 -2.936 19.420 1.00 0.00 C ATOM 470 C LEU A 33 -9.497 -3.597 18.484 1.00 0.00 C ATOM 471 O LEU A 33 -10.653 -3.798 18.855 1.00 0.00 O ATOM 472 CB LEU A 33 -8.220 -1.463 19.100 1.00 0.00 C ATOM 473 CG LEU A 33 -8.079 -0.530 20.304 1.00 0.00 C ATOM 474 CD1 LEU A 33 -9.451 -0.117 20.840 1.00 0.00 C ATOM 475 CD2 LEU A 33 -7.206 -1.163 21.390 1.00 0.00 C ATOM 0 H LEU A 33 -6.407 -3.135 19.226 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.918 -2.947 20.420 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.308 -1.398 18.507 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.034 -1.096 18.474 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.574 0.378 19.975 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.323 0.546 21.696 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.006 0.402 20.058 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.003 -1.005 21.148 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.122 -0.479 22.234 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.659 -2.097 21.723 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.214 -1.365 20.987 1.00 0.00 H new ATOM 486 N VAL A 34 -9.029 -3.916 17.286 1.00 0.00 N ATOM 487 CA VAL A 34 -9.879 -4.550 16.294 1.00 0.00 C ATOM 488 C VAL A 34 -10.343 -5.910 16.818 1.00 0.00 C ATOM 489 O VAL A 34 -11.379 -6.422 16.397 1.00 0.00 O ATOM 490 CB VAL A 34 -9.142 -4.645 14.956 1.00 0.00 C ATOM 491 CG1 VAL A 34 -7.771 -5.300 15.132 1.00 0.00 C ATOM 492 CG2 VAL A 34 -9.981 -5.395 13.920 1.00 0.00 C ATOM 0 H VAL A 34 -8.071 -3.747 16.980 1.00 0.00 H new ATOM 0 HA VAL A 34 -10.771 -3.949 16.117 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.984 -3.632 14.587 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.268 -5.356 14.167 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.170 -4.707 15.821 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.897 -6.305 15.534 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -9.434 -5.448 12.979 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -10.185 -6.404 14.279 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -10.922 -4.868 13.764 1.00 0.00 H new ATOM 502 N GLN A 35 -9.552 -6.456 17.731 1.00 0.00 N ATOM 503 CA GLN A 35 -9.869 -7.747 18.318 1.00 0.00 C ATOM 504 C GLN A 35 -10.941 -7.590 19.399 1.00 0.00 C ATOM 505 O GLN A 35 -11.600 -8.561 19.770 1.00 0.00 O ATOM 506 CB GLN A 35 -8.614 -8.415 18.884 1.00 0.00 C ATOM 507 CG GLN A 35 -8.882 -9.880 19.231 1.00 0.00 C ATOM 508 CD GLN A 35 -8.312 -10.811 18.160 1.00 0.00 C ATOM 509 OE1 GLN A 35 -7.224 -11.349 18.283 1.00 0.00 O ATOM 510 NE2 GLN A 35 -9.105 -10.971 17.105 1.00 0.00 N ATOM 0 H GLN A 35 -8.693 -6.028 18.078 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.263 -8.394 17.534 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.805 -8.352 18.157 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.284 -7.881 19.775 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -8.436 -10.116 20.197 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.955 -10.044 19.327 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -10.004 -10.491 17.065 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -8.814 -11.574 16.335 1.00 0.00 H new ATOM 517 N LYS A 36 -11.083 -6.361 19.874 1.00 0.00 N ATOM 518 CA LYS A 36 -12.063 -6.065 20.904 1.00 0.00 C ATOM 519 C LYS A 36 -13.444 -5.923 20.261 1.00 0.00 C ATOM 520 O LYS A 36 -14.463 -6.137 20.917 1.00 0.00 O ATOM 521 CB LYS A 36 -11.634 -4.842 21.717 1.00 0.00 C ATOM 522 CG LYS A 36 -12.176 -4.915 23.145 1.00 0.00 C ATOM 523 CD LYS A 36 -11.913 -3.609 23.899 1.00 0.00 C ATOM 524 CE LYS A 36 -12.398 -3.705 25.347 1.00 0.00 C ATOM 525 NZ LYS A 36 -11.362 -3.202 26.275 1.00 0.00 N ATOM 0 H LYS A 36 -10.535 -5.559 19.564 1.00 0.00 H new ATOM 0 HA LYS A 36 -12.126 -6.886 21.618 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.546 -4.780 21.740 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.995 -3.934 21.233 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -13.247 -5.116 23.121 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.707 -5.745 23.674 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.847 -3.384 23.883 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.420 -2.786 23.396 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -13.315 -3.128 25.469 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.639 -4.740 25.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.708 -3.274 27.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.497 -3.770 26.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.152 -2.208 26.055 1.00 0.00 H new ATOM 535 N TYR A 37 -13.435 -5.562 18.987 1.00 0.00 N ATOM 536 CA TYR A 37 -14.674 -5.389 18.248 1.00 0.00 C ATOM 537 C TYR A 37 -15.526 -6.659 18.299 1.00 0.00 C ATOM 538 O TYR A 37 -16.743 -6.601 18.138 1.00 0.00 O ATOM 539 CB TYR A 37 -14.267 -5.120 16.798 1.00 0.00 C ATOM 540 CG TYR A 37 -14.929 -6.053 15.783 1.00 0.00 C ATOM 541 CD1 TYR A 37 -16.304 -6.082 15.666 1.00 0.00 C ATOM 542 CD2 TYR A 37 -14.152 -6.867 14.985 1.00 0.00 C ATOM 543 CE1 TYR A 37 -16.928 -6.960 14.711 1.00 0.00 C ATOM 544 CE2 TYR A 37 -14.775 -7.746 14.029 1.00 0.00 C ATOM 545 CZ TYR A 37 -16.132 -7.749 13.939 1.00 0.00 C ATOM 546 OH TYR A 37 -16.721 -8.579 13.036 1.00 0.00 O ATOM 0 H TYR A 37 -12.588 -5.384 18.447 1.00 0.00 H new ATOM 0 HA TYR A 37 -15.264 -4.577 18.674 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -14.518 -4.089 16.546 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -13.185 -5.215 16.712 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -16.912 -5.445 16.291 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -13.076 -6.845 15.077 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -18.003 -6.992 14.610 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -14.178 -8.388 13.398 1.00 0.00 H new ATOM 0 HH TYR A 37 -16.031 -9.081 12.555 1.00 0.00 H new ATOM 555 N SER A 38 -14.850 -7.777 18.526 1.00 0.00 N ATOM 556 CA SER A 38 -15.530 -9.059 18.601 1.00 0.00 C ATOM 557 C SER A 38 -16.197 -9.219 19.969 1.00 0.00 C ATOM 558 O SER A 38 -17.306 -9.742 20.065 1.00 0.00 O ATOM 559 CB SER A 38 -14.557 -10.212 18.346 1.00 0.00 C ATOM 560 OG SER A 38 -15.213 -11.351 17.794 1.00 0.00 O ATOM 0 H SER A 38 -13.840 -7.821 18.660 1.00 0.00 H new ATOM 0 HA SER A 38 -16.296 -9.087 17.826 1.00 0.00 H new ATOM 0 HB2 SER A 38 -13.772 -9.881 17.666 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.072 -10.491 19.281 1.00 0.00 H new ATOM 0 HG SER A 38 -14.558 -12.065 17.644 1.00 0.00 H new ATOM 565 N ASN A 39 -15.492 -8.759 20.992 1.00 0.00 N ATOM 566 CA ASN A 39 -16.002 -8.844 22.350 1.00 0.00 C ATOM 567 C ASN A 39 -16.957 -7.677 22.606 1.00 0.00 C ATOM 568 O ASN A 39 -17.914 -7.808 23.368 1.00 0.00 O ATOM 569 CB ASN A 39 -14.867 -8.759 23.372 1.00 0.00 C ATOM 570 CG ASN A 39 -15.071 -9.769 24.503 1.00 0.00 C ATOM 571 OD1 ASN A 39 -16.182 -10.088 24.893 1.00 0.00 O ATOM 572 ND2 ASN A 39 -13.938 -10.254 25.006 1.00 0.00 N ATOM 0 H ASN A 39 -14.572 -8.326 20.908 1.00 0.00 H new ATOM 0 HA ASN A 39 -16.513 -9.801 22.458 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -13.914 -8.948 22.879 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -14.819 -7.751 23.784 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -13.967 -10.935 25.764 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -13.041 -9.944 24.633 1.00 0.00 H new ATOM 578 N SER A 40 -16.665 -6.561 21.954 1.00 0.00 N ATOM 579 CA SER A 40 -17.485 -5.371 22.102 1.00 0.00 C ATOM 580 C SER A 40 -18.738 -5.487 21.231 1.00 0.00 C ATOM 581 O SER A 40 -19.765 -4.883 21.533 1.00 0.00 O ATOM 582 CB SER A 40 -16.699 -4.111 21.733 1.00 0.00 C ATOM 583 OG SER A 40 -16.438 -3.293 22.871 1.00 0.00 O ATOM 0 H SER A 40 -15.872 -6.456 21.322 1.00 0.00 H new ATOM 0 HA SER A 40 -17.782 -5.289 23.147 1.00 0.00 H new ATOM 0 HB2 SER A 40 -15.756 -4.395 21.267 1.00 0.00 H new ATOM 0 HB3 SER A 40 -17.259 -3.537 20.995 1.00 0.00 H new ATOM 0 HG SER A 40 -15.528 -2.933 22.813 1.00 0.00 H new ATOM 588 N ALA A 41 -18.611 -6.270 20.170 1.00 0.00 N ATOM 589 CA ALA A 41 -19.721 -6.475 19.255 1.00 0.00 C ATOM 590 C ALA A 41 -20.984 -6.799 20.055 1.00 0.00 C ATOM 591 O ALA A 41 -22.097 -6.610 19.567 1.00 0.00 O ATOM 592 CB ALA A 41 -19.364 -7.577 18.256 1.00 0.00 C ATOM 0 H ALA A 41 -17.757 -6.770 19.923 1.00 0.00 H new ATOM 0 HA ALA A 41 -19.918 -5.569 18.683 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -20.197 -7.730 17.570 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -18.479 -7.284 17.692 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -19.161 -8.503 18.793 1.00 0.00 H new ATOM 598 N LEU A 42 -20.768 -7.281 21.269 1.00 0.00 N ATOM 599 CA LEU A 42 -21.875 -7.635 22.141 1.00 0.00 C ATOM 600 C LEU A 42 -22.508 -6.358 22.698 1.00 0.00 C ATOM 601 O LEU A 42 -22.621 -6.194 23.911 1.00 0.00 O ATOM 602 CB LEU A 42 -21.415 -8.614 23.223 1.00 0.00 C ATOM 603 CG LEU A 42 -20.901 -9.968 22.728 1.00 0.00 C ATOM 604 CD1 LEU A 42 -19.523 -10.279 23.314 1.00 0.00 C ATOM 605 CD2 LEU A 42 -21.913 -11.077 23.020 1.00 0.00 C ATOM 0 H LEU A 42 -19.843 -7.435 21.670 1.00 0.00 H new ATOM 0 HA LEU A 42 -22.649 -8.158 21.579 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -20.625 -8.138 23.804 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -22.248 -8.791 23.903 1.00 0.00 H new ATOM 0 HG LEU A 42 -20.785 -9.915 21.646 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -19.181 -11.246 22.946 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -18.816 -9.506 23.012 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -19.588 -10.307 24.402 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -21.524 -12.029 22.659 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -22.084 -11.140 24.095 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -22.853 -10.854 22.515 1.00 0.00 H new ATOM 616 N GLY A 43 -22.904 -5.484 21.783 1.00 0.00 N ATOM 617 CA GLY A 43 -23.522 -4.227 22.167 1.00 0.00 C ATOM 618 C GLY A 43 -22.690 -3.037 21.684 1.00 0.00 C ATOM 619 O GLY A 43 -22.134 -2.294 22.492 1.00 0.00 O ATOM 0 H GLY A 43 -22.808 -5.622 20.777 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -24.526 -4.168 21.747 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -23.627 -4.186 23.251 1.00 0.00 H new ATOM 623 N HIS A 44 -22.631 -2.892 20.367 1.00 0.00 N ATOM 624 CA HIS A 44 -21.877 -1.805 19.767 1.00 0.00 C ATOM 625 C HIS A 44 -20.464 -1.776 20.354 1.00 0.00 C ATOM 626 O HIS A 44 -19.813 -2.814 20.468 1.00 0.00 O ATOM 627 CB HIS A 44 -22.615 -0.476 19.931 1.00 0.00 C ATOM 628 CG HIS A 44 -24.040 -0.499 19.431 1.00 0.00 C ATOM 629 ND1 HIS A 44 -25.080 0.119 20.103 1.00 0.00 N ATOM 630 CD2 HIS A 44 -24.584 -1.069 18.319 1.00 0.00 C ATOM 631 CE1 HIS A 44 -26.196 -0.078 19.418 1.00 0.00 C ATOM 632 NE2 HIS A 44 -25.887 -0.816 18.313 1.00 0.00 N ATOM 0 H HIS A 44 -23.093 -3.510 19.700 1.00 0.00 H new ATOM 0 HA HIS A 44 -21.784 -1.971 18.694 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -22.615 -0.200 20.985 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -22.066 0.301 19.398 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -24.046 -1.631 17.570 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -27.178 0.282 19.687 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -26.548 -1.123 17.600 1.00 0.00 H new ATOM 640 N VAL A 45 -20.031 -0.575 20.710 1.00 0.00 N ATOM 641 CA VAL A 45 -18.707 -0.397 21.281 1.00 0.00 C ATOM 642 C VAL A 45 -17.652 -0.625 20.196 1.00 0.00 C ATOM 643 O VAL A 45 -16.820 0.246 19.943 1.00 0.00 O ATOM 644 CB VAL A 45 -18.530 -1.319 22.490 1.00 0.00 C ATOM 645 CG1 VAL A 45 -17.312 -0.909 23.318 1.00 0.00 C ATOM 646 CG2 VAL A 45 -19.795 -1.344 23.350 1.00 0.00 C ATOM 0 H VAL A 45 -20.573 0.283 20.614 1.00 0.00 H new ATOM 0 HA VAL A 45 -18.583 0.623 21.645 1.00 0.00 H new ATOM 0 HB VAL A 45 -18.358 -2.329 22.119 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -17.209 -1.580 24.171 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -16.416 -0.967 22.700 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -17.441 0.113 23.674 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -19.643 -2.006 24.202 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -20.012 -0.337 23.707 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -20.633 -1.706 22.754 1.00 0.00 H new ATOM 656 N ASN A 46 -17.721 -1.798 19.586 1.00 0.00 N ATOM 657 CA ASN A 46 -16.783 -2.150 18.534 1.00 0.00 C ATOM 658 C ASN A 46 -16.810 -1.072 17.450 1.00 0.00 C ATOM 659 O ASN A 46 -15.869 -0.951 16.666 1.00 0.00 O ATOM 660 CB ASN A 46 -17.158 -3.484 17.885 1.00 0.00 C ATOM 661 CG ASN A 46 -18.447 -3.352 17.070 1.00 0.00 C ATOM 662 OD1 ASN A 46 -18.433 -3.155 15.866 1.00 0.00 O ATOM 663 ND2 ASN A 46 -19.558 -3.473 17.791 1.00 0.00 N ATOM 0 H ASN A 46 -18.412 -2.517 19.800 1.00 0.00 H new ATOM 0 HA ASN A 46 -15.792 -2.232 18.980 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -16.347 -3.819 17.238 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -17.286 -4.244 18.655 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -20.470 -3.402 17.339 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -19.498 -3.637 18.796 1.00 0.00 H new ATOM 669 N CYS A 47 -17.897 -0.314 17.440 1.00 0.00 N ATOM 670 CA CYS A 47 -18.059 0.750 16.464 1.00 0.00 C ATOM 671 C CYS A 47 -17.475 2.035 17.055 1.00 0.00 C ATOM 672 O CYS A 47 -17.041 2.920 16.319 1.00 0.00 O ATOM 673 CB CYS A 47 -19.523 0.924 16.055 1.00 0.00 C ATOM 674 SG CYS A 47 -20.439 1.811 17.367 1.00 0.00 S ATOM 0 H CYS A 47 -18.674 -0.416 18.093 1.00 0.00 H new ATOM 0 HA CYS A 47 -17.523 0.494 15.550 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -19.584 1.479 15.119 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -19.978 -0.051 15.878 1.00 0.00 H new ATOM 0 HG CYS A 47 -21.680 1.955 17.008 1.00 0.00 H new ATOM 679 N THR A 48 -17.483 2.097 18.378 1.00 0.00 N ATOM 680 CA THR A 48 -16.961 3.260 19.076 1.00 0.00 C ATOM 681 C THR A 48 -15.445 3.136 19.256 1.00 0.00 C ATOM 682 O THR A 48 -14.710 4.096 19.031 1.00 0.00 O ATOM 683 CB THR A 48 -17.719 3.401 20.396 1.00 0.00 C ATOM 684 OG1 THR A 48 -19.086 3.493 20.003 1.00 0.00 O ATOM 685 CG2 THR A 48 -17.440 4.734 21.093 1.00 0.00 C ATOM 0 H THR A 48 -17.843 1.361 18.986 1.00 0.00 H new ATOM 0 HA THR A 48 -17.117 4.171 18.498 1.00 0.00 H new ATOM 0 HB THR A 48 -17.446 2.581 21.060 1.00 0.00 H new ATOM 0 HG1 THR A 48 -19.244 2.911 19.230 1.00 0.00 H new ATOM 0 HG21 THR A 48 -18.003 4.782 22.025 1.00 0.00 H new ATOM 0 HG22 THR A 48 -16.375 4.816 21.308 1.00 0.00 H new ATOM 0 HG23 THR A 48 -17.743 5.555 20.443 1.00 0.00 H new ATOM 693 N ILE A 49 -15.025 1.947 19.661 1.00 0.00 N ATOM 694 CA ILE A 49 -13.612 1.685 19.873 1.00 0.00 C ATOM 695 C ILE A 49 -12.861 1.859 18.552 1.00 0.00 C ATOM 696 O ILE A 49 -11.857 2.569 18.493 1.00 0.00 O ATOM 697 CB ILE A 49 -13.412 0.313 20.518 1.00 0.00 C ATOM 698 CG1 ILE A 49 -14.056 -0.789 19.674 1.00 0.00 C ATOM 699 CG2 ILE A 49 -13.925 0.303 21.959 1.00 0.00 C ATOM 700 CD1 ILE A 49 -13.017 -1.477 18.785 1.00 0.00 C ATOM 0 H ILE A 49 -15.639 1.154 19.848 1.00 0.00 H new ATOM 0 HA ILE A 49 -13.193 2.406 20.575 1.00 0.00 H new ATOM 0 HB ILE A 49 -12.342 0.107 20.556 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -14.525 -1.525 20.327 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -14.845 -0.363 19.054 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -13.770 -0.685 22.393 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -13.382 1.046 22.544 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -14.989 0.541 21.968 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -13.501 -2.256 18.196 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -12.567 -0.743 18.117 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -12.242 -1.923 19.409 1.00 0.00 H new ATOM 711 N LYS A 50 -13.376 1.201 17.525 1.00 0.00 N ATOM 712 CA LYS A 50 -12.766 1.274 16.207 1.00 0.00 C ATOM 713 C LYS A 50 -12.582 2.742 15.816 1.00 0.00 C ATOM 714 O LYS A 50 -11.475 3.167 15.487 1.00 0.00 O ATOM 715 CB LYS A 50 -13.579 0.465 15.195 1.00 0.00 C ATOM 716 CG LYS A 50 -12.981 -0.931 15.003 1.00 0.00 C ATOM 717 CD LYS A 50 -14.070 -1.950 14.661 1.00 0.00 C ATOM 718 CE LYS A 50 -13.488 -3.134 13.884 1.00 0.00 C ATOM 719 NZ LYS A 50 -12.541 -3.893 14.730 1.00 0.00 N ATOM 0 H LYS A 50 -14.209 0.614 17.578 1.00 0.00 H new ATOM 0 HA LYS A 50 -11.775 0.820 16.220 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -14.610 0.379 15.537 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -13.603 0.989 14.240 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.238 -0.906 14.206 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.463 -1.237 15.912 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -14.540 -2.307 15.577 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -14.850 -1.470 14.069 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.293 -3.789 13.551 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -12.979 -2.775 12.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.567 -3.697 14.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.655 -3.606 15.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.734 -4.911 14.640 1.00 0.00 H new ATOM 729 N GLU A 51 -13.684 3.476 15.864 1.00 0.00 N ATOM 730 CA GLU A 51 -13.658 4.887 15.518 1.00 0.00 C ATOM 731 C GLU A 51 -12.678 5.638 16.422 1.00 0.00 C ATOM 732 O GLU A 51 -12.275 6.758 16.112 1.00 0.00 O ATOM 733 CB GLU A 51 -15.059 5.497 15.601 1.00 0.00 C ATOM 734 CG GLU A 51 -15.088 6.893 14.974 1.00 0.00 C ATOM 735 CD GLU A 51 -16.402 7.609 15.290 1.00 0.00 C ATOM 736 OE1 GLU A 51 -16.838 7.508 16.456 1.00 0.00 O ATOM 737 OE2 GLU A 51 -16.942 8.241 14.356 1.00 0.00 O ATOM 0 H GLU A 51 -14.600 3.120 16.137 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.316 4.982 14.487 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.772 4.850 15.090 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.373 5.556 16.643 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -14.250 7.481 15.348 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.964 6.813 13.894 1.00 0.00 H new ATOM 742 N LEU A 52 -12.323 4.989 17.522 1.00 0.00 N ATOM 743 CA LEU A 52 -11.399 5.582 18.473 1.00 0.00 C ATOM 744 C LEU A 52 -9.976 5.116 18.152 1.00 0.00 C ATOM 745 O LEU A 52 -9.023 5.881 18.293 1.00 0.00 O ATOM 746 CB LEU A 52 -11.836 5.277 19.907 1.00 0.00 C ATOM 747 CG LEU A 52 -11.852 6.466 20.871 1.00 0.00 C ATOM 748 CD1 LEU A 52 -13.181 6.544 21.623 1.00 0.00 C ATOM 749 CD2 LEU A 52 -10.656 6.414 21.824 1.00 0.00 C ATOM 0 H LEU A 52 -12.658 4.060 17.775 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.408 6.668 18.386 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -12.837 4.846 19.877 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -11.172 4.514 20.314 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.759 7.381 20.287 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -13.166 7.397 22.301 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -13.996 6.662 20.909 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -13.329 5.628 22.195 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -10.691 7.270 22.498 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.693 5.492 22.405 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -9.731 6.443 21.249 1.00 0.00 H new ATOM 760 N ARG A 53 -9.879 3.865 17.728 1.00 0.00 N ATOM 761 CA ARG A 53 -8.589 3.288 17.388 1.00 0.00 C ATOM 762 C ARG A 53 -8.276 3.529 15.909 1.00 0.00 C ATOM 763 O ARG A 53 -7.366 4.290 15.581 1.00 0.00 O ATOM 764 CB ARG A 53 -8.566 1.785 17.668 1.00 0.00 C ATOM 765 CG ARG A 53 -7.352 1.123 17.013 1.00 0.00 C ATOM 766 CD ARG A 53 -7.783 0.174 15.893 1.00 0.00 C ATOM 767 NE ARG A 53 -6.619 -0.607 15.417 1.00 0.00 N ATOM 768 CZ ARG A 53 -5.678 -0.126 14.592 1.00 0.00 C ATOM 769 NH1 ARG A 53 -5.758 1.136 14.148 1.00 0.00 N ATOM 770 NH2 ARG A 53 -4.658 -0.906 14.213 1.00 0.00 N ATOM 0 H ARG A 53 -10.672 3.234 17.612 1.00 0.00 H new ATOM 0 HA ARG A 53 -7.835 3.772 18.008 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.542 1.612 18.744 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.481 1.327 17.292 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.689 1.889 16.611 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.785 0.572 17.763 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.560 -0.499 16.254 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.212 0.743 15.068 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.527 -1.571 15.737 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.535 1.730 14.438 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.042 1.502 13.520 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.597 -1.866 14.552 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.942 -0.540 13.585 1.00 0.00 H new ATOM 781 N ARG A 54 -9.045 2.867 15.058 1.00 0.00 N ATOM 782 CA ARG A 54 -8.859 3.000 13.623 1.00 0.00 C ATOM 783 C ARG A 54 -9.341 4.372 13.150 1.00 0.00 C ATOM 784 O ARG A 54 -8.687 5.016 12.331 1.00 0.00 O ATOM 785 CB ARG A 54 -9.622 1.911 12.867 1.00 0.00 C ATOM 786 CG ARG A 54 -9.080 1.747 11.445 1.00 0.00 C ATOM 787 CD ARG A 54 -7.858 0.826 11.428 1.00 0.00 C ATOM 788 NE ARG A 54 -7.068 1.057 10.198 1.00 0.00 N ATOM 789 CZ ARG A 54 -7.313 0.460 9.024 1.00 0.00 C ATOM 790 NH1 ARG A 54 -8.329 -0.406 8.912 1.00 0.00 N ATOM 791 NH2 ARG A 54 -6.544 0.731 7.961 1.00 0.00 N ATOM 0 H ARG A 54 -9.798 2.237 15.334 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.794 2.894 13.415 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.539 0.965 13.403 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.682 2.164 12.829 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.858 1.338 10.800 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.811 2.722 11.040 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -7.240 1.011 12.307 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -8.176 -0.215 11.476 1.00 0.00 H new ATOM 0 HE ARG A 54 -6.288 1.712 10.247 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -8.916 -0.611 9.721 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -8.516 -0.861 8.018 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.772 1.392 8.045 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.731 0.276 7.067 1.00 0.00 H new ATOM 802 N LEU A 55 -10.482 4.782 13.688 1.00 0.00 N ATOM 803 CA LEU A 55 -11.059 6.066 13.331 1.00 0.00 C ATOM 804 C LEU A 55 -11.640 5.985 11.918 1.00 0.00 C ATOM 805 O LEU A 55 -11.997 7.005 11.331 1.00 0.00 O ATOM 806 CB LEU A 55 -10.030 7.183 13.510 1.00 0.00 C ATOM 807 CG LEU A 55 -9.284 7.202 14.846 1.00 0.00 C ATOM 808 CD1 LEU A 55 -7.832 7.645 14.658 1.00 0.00 C ATOM 809 CD2 LEU A 55 -10.019 8.068 15.871 1.00 0.00 C ATOM 0 H LEU A 55 -11.021 4.247 14.368 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.883 6.313 14.000 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.296 7.105 12.708 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.537 8.140 13.386 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.261 6.186 15.239 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.325 7.650 15.623 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.325 6.954 13.985 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.810 8.648 14.232 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.468 8.065 16.812 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.094 9.089 15.498 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -11.019 7.668 16.035 1.00 0.00 H new ATOM 820 N PHE A 56 -11.714 4.763 11.413 1.00 0.00 N ATOM 821 CA PHE A 56 -12.245 4.535 10.079 1.00 0.00 C ATOM 822 C PHE A 56 -13.023 3.218 10.016 1.00 0.00 C ATOM 823 O PHE A 56 -14.106 3.160 9.435 1.00 0.00 O ATOM 824 CB PHE A 56 -11.049 4.453 9.129 1.00 0.00 C ATOM 825 CG PHE A 56 -11.433 4.362 7.651 1.00 0.00 C ATOM 826 CD1 PHE A 56 -11.676 3.150 7.085 1.00 0.00 C ATOM 827 CD2 PHE A 56 -11.531 5.494 6.903 1.00 0.00 C ATOM 828 CE1 PHE A 56 -12.032 3.066 5.713 1.00 0.00 C ATOM 829 CE2 PHE A 56 -11.887 5.410 5.532 1.00 0.00 C ATOM 830 CZ PHE A 56 -12.130 4.198 4.965 1.00 0.00 C ATOM 0 H PHE A 56 -11.415 3.920 11.903 1.00 0.00 H new ATOM 0 HA PHE A 56 -12.926 5.342 9.807 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -10.420 5.331 9.277 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -10.448 3.582 9.392 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -11.598 2.251 7.679 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -11.338 6.457 7.353 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -12.225 2.103 5.263 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -11.965 6.309 4.939 1.00 0.00 H new ATOM 0 HZ PHE A 56 -12.401 4.134 3.921 1.00 0.00 H new ATOM 839 N LEU A 57 -12.439 2.194 10.621 1.00 0.00 N ATOM 840 CA LEU A 57 -13.063 0.882 10.640 1.00 0.00 C ATOM 841 C LEU A 57 -14.521 1.022 11.083 1.00 0.00 C ATOM 842 O LEU A 57 -15.419 0.459 10.460 1.00 0.00 O ATOM 843 CB LEU A 57 -12.250 -0.086 11.501 1.00 0.00 C ATOM 844 CG LEU A 57 -11.903 -1.429 10.855 1.00 0.00 C ATOM 845 CD1 LEU A 57 -10.837 -2.168 11.667 1.00 0.00 C ATOM 846 CD2 LEU A 57 -13.158 -2.279 10.650 1.00 0.00 C ATOM 0 H LEU A 57 -11.541 2.246 11.101 1.00 0.00 H new ATOM 0 HA LEU A 57 -13.073 0.451 9.639 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -11.321 0.407 11.789 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -12.806 -0.279 12.419 1.00 0.00 H new ATOM 0 HG LEU A 57 -11.481 -1.235 9.869 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.608 -3.119 11.187 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.933 -1.561 11.719 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -11.209 -2.351 12.675 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.883 -3.228 10.189 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -13.632 -2.467 11.614 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -13.855 -1.749 10.001 1.00 0.00 H new ATOM 857 N VAL A 58 -14.711 1.776 12.155 1.00 0.00 N ATOM 858 CA VAL A 58 -16.044 1.999 12.689 1.00 0.00 C ATOM 859 C VAL A 58 -16.858 0.709 12.568 1.00 0.00 C ATOM 860 O VAL A 58 -17.602 0.528 11.606 1.00 0.00 O ATOM 861 CB VAL A 58 -16.699 3.187 11.983 1.00 0.00 C ATOM 862 CG1 VAL A 58 -18.169 3.322 12.387 1.00 0.00 C ATOM 863 CG2 VAL A 58 -15.932 4.481 12.260 1.00 0.00 C ATOM 0 H VAL A 58 -13.963 2.241 12.669 1.00 0.00 H new ATOM 0 HA VAL A 58 -15.994 2.255 13.747 1.00 0.00 H new ATOM 0 HB VAL A 58 -16.663 3.001 10.910 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -18.611 4.174 11.871 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -18.706 2.414 12.114 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -18.238 3.474 13.464 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -16.419 5.310 11.746 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -15.921 4.675 13.333 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -14.908 4.382 11.899 1.00 0.00 H new ATOM 873 N ASP A 59 -16.687 -0.156 13.559 1.00 0.00 N ATOM 874 CA ASP A 59 -17.398 -1.423 13.575 1.00 0.00 C ATOM 875 C ASP A 59 -16.769 -2.368 12.548 1.00 0.00 C ATOM 876 O ASP A 59 -16.350 -3.472 12.891 1.00 0.00 O ATOM 877 CB ASP A 59 -18.870 -1.236 13.206 1.00 0.00 C ATOM 878 CG ASP A 59 -19.803 -2.350 13.685 1.00 0.00 C ATOM 879 OD1 ASP A 59 -19.446 -3.526 13.458 1.00 0.00 O ATOM 880 OD2 ASP A 59 -20.853 -2.000 14.267 1.00 0.00 O ATOM 0 H ASP A 59 -16.067 -0.004 14.355 1.00 0.00 H new ATOM 0 HA ASP A 59 -17.330 -1.834 14.582 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -19.216 -0.289 13.621 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -18.950 -1.157 12.122 1.00 0.00 H new ATOM 884 N ASP A 60 -16.725 -1.899 11.310 1.00 0.00 N ATOM 885 CA ASP A 60 -16.155 -2.688 10.231 1.00 0.00 C ATOM 886 C ASP A 60 -15.665 -1.751 9.124 1.00 0.00 C ATOM 887 O ASP A 60 -15.511 -2.168 7.977 1.00 0.00 O ATOM 888 CB ASP A 60 -17.199 -3.628 9.626 1.00 0.00 C ATOM 889 CG ASP A 60 -16.713 -5.057 9.376 1.00 0.00 C ATOM 890 OD1 ASP A 60 -15.599 -5.190 8.826 1.00 0.00 O ATOM 891 OD2 ASP A 60 -17.467 -5.985 9.740 1.00 0.00 O ATOM 0 H ASP A 60 -17.075 -0.983 11.030 1.00 0.00 H new ATOM 0 HA ASP A 60 -15.334 -3.276 10.640 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -18.062 -3.665 10.291 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -17.542 -3.206 8.681 1.00 0.00 H new