USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 641 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 38 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 40 ASN : amide:sc= -4.23! K(o=-6!,f=-2.1) USER MOD Set 1.3: A 41 THR OG1 : rot 180:sc= -1.74 USER MOD Single : A 10 HIS : no HE2:sc= 0.278 K(o=0.28,f=-5.2!) USER MOD Single : A 16 SER OG : rot 33:sc= 0.785 USER MOD Single : A 22 SER OG : rot 100:sc= -2.96! USER MOD Single : A 24 HIS : no HD1:sc= -2.15! K(o=-2.2!,f=-0.86) USER MOD Single : A 28 GLN : amide:sc= -4.99! C(o=-5!,f=-3.5!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 136:sc= -1.05 (180deg=-4.96!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -1.99 K(o=-2,f=-3.6!) USER MOD Single : A 65 THR OG1 : rot -142:sc= -4.18! USER MOD Single : A 67 GLN : amide:sc= -0.901 K(o=-0.9,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 9 -7.425 -15.119 -2.299 1.00 0.00 N ATOM 2 CA ARG A 9 -6.533 -14.142 -1.682 1.00 0.00 C ATOM 3 C ARG A 9 -5.861 -13.274 -2.742 1.00 0.00 C ATOM 4 O ARG A 9 -6.133 -13.411 -3.935 1.00 0.00 O ATOM 5 CB ARG A 9 -5.471 -14.846 -0.832 1.00 0.00 C ATOM 6 CG ARG A 9 -5.956 -15.295 0.540 1.00 0.00 C ATOM 7 CD ARG A 9 -7.169 -16.213 0.459 1.00 0.00 C ATOM 8 NE ARG A 9 -8.400 -15.481 0.165 1.00 0.00 N ATOM 9 CZ ARG A 9 -9.601 -16.049 0.099 1.00 0.00 C ATOM 10 NH1 ARG A 9 -9.742 -17.351 0.317 1.00 0.00 N ATOM 11 NH2 ARG A 9 -10.667 -15.312 -0.182 1.00 0.00 N ATOM 0 HA ARG A 9 -7.132 -13.500 -1.037 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.106 -15.716 -1.377 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -4.623 -14.173 -0.702 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -5.147 -15.812 1.056 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -6.207 -14.419 1.138 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -7.002 -16.964 -0.313 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.282 -16.746 1.403 1.00 0.00 H new ATOM 0 HE ARG A 9 -8.334 -14.476 0.001 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -8.926 -17.923 0.537 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -10.666 -17.780 0.265 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -10.566 -14.311 -0.347 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.588 -15.747 -0.233 1.00 0.00 H new ATOM 25 N HIS A 10 -4.984 -12.378 -2.296 1.00 0.00 N ATOM 26 CA HIS A 10 -4.272 -11.482 -3.201 1.00 0.00 C ATOM 27 C HIS A 10 -5.242 -10.518 -3.879 1.00 0.00 C ATOM 28 O HIS A 10 -5.557 -10.664 -5.059 1.00 0.00 O ATOM 29 CB HIS A 10 -3.502 -12.283 -4.254 1.00 0.00 C ATOM 30 CG HIS A 10 -2.656 -11.437 -5.157 1.00 0.00 C ATOM 31 ND1 HIS A 10 -3.176 -10.465 -5.986 1.00 0.00 N ATOM 32 CD2 HIS A 10 -1.316 -11.421 -5.356 1.00 0.00 C ATOM 33 CE1 HIS A 10 -2.192 -9.889 -6.656 1.00 0.00 C ATOM 34 NE2 HIS A 10 -1.055 -10.451 -6.291 1.00 0.00 N ATOM 0 H HIS A 10 -4.750 -12.254 -1.311 1.00 0.00 H new ATOM 0 HA HIS A 10 -3.560 -10.902 -2.614 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -2.865 -13.010 -3.750 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -4.212 -12.847 -4.859 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -4.165 -10.228 -6.069 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -0.589 -12.054 -4.869 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -2.300 -9.094 -7.379 1.00 0.00 H new ATOM 43 N GLU A 11 -5.713 -9.532 -3.120 1.00 0.00 N ATOM 44 CA GLU A 11 -6.650 -8.540 -3.641 1.00 0.00 C ATOM 45 C GLU A 11 -7.018 -7.525 -2.563 1.00 0.00 C ATOM 46 O GLU A 11 -8.062 -7.637 -1.922 1.00 0.00 O ATOM 47 CB GLU A 11 -7.916 -9.224 -4.166 1.00 0.00 C ATOM 48 CG GLU A 11 -8.941 -8.254 -4.730 1.00 0.00 C ATOM 49 CD GLU A 11 -10.186 -8.955 -5.238 1.00 0.00 C ATOM 50 OE1 GLU A 11 -10.064 -9.794 -6.153 1.00 0.00 O ATOM 51 OE2 GLU A 11 -11.284 -8.663 -4.720 1.00 0.00 O ATOM 0 H GLU A 11 -5.461 -9.398 -2.141 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.164 -8.015 -4.463 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.638 -9.938 -4.941 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.373 -9.794 -3.357 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.221 -7.537 -3.958 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.490 -7.686 -5.544 1.00 0.00 H new ATOM 58 N LEU A 12 -6.155 -6.532 -2.371 1.00 0.00 N ATOM 59 CA LEU A 12 -6.392 -5.497 -1.372 1.00 0.00 C ATOM 60 C LEU A 12 -6.924 -4.220 -2.014 1.00 0.00 C ATOM 61 O LEU A 12 -6.744 -3.126 -1.478 1.00 0.00 O ATOM 62 CB LEU A 12 -5.107 -5.194 -0.596 1.00 0.00 C ATOM 63 CG LEU A 12 -4.602 -6.331 0.294 1.00 0.00 C ATOM 64 CD1 LEU A 12 -4.289 -7.567 -0.537 1.00 0.00 C ATOM 65 CD2 LEU A 12 -3.375 -5.888 1.076 1.00 0.00 C ATOM 0 H LEU A 12 -5.286 -6.423 -2.894 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.146 -5.873 -0.680 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.323 -4.936 -1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.275 -4.314 0.025 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.390 -6.588 1.002 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.931 -8.363 0.116 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.191 -7.897 -1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.520 -7.327 -1.271 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.028 -6.708 1.704 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.584 -5.603 0.382 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.632 -5.034 1.703 1.00 0.00 H new ATOM 77 N ILE A 13 -7.583 -4.363 -3.159 1.00 0.00 N ATOM 78 CA ILE A 13 -8.144 -3.217 -3.863 1.00 0.00 C ATOM 79 C ILE A 13 -9.585 -2.961 -3.427 1.00 0.00 C ATOM 80 O ILE A 13 -10.344 -3.899 -3.182 1.00 0.00 O ATOM 81 CB ILE A 13 -8.108 -3.423 -5.391 1.00 0.00 C ATOM 82 CG1 ILE A 13 -6.688 -3.759 -5.849 1.00 0.00 C ATOM 83 CG2 ILE A 13 -8.617 -2.179 -6.106 1.00 0.00 C ATOM 84 CD1 ILE A 13 -5.678 -2.680 -5.526 1.00 0.00 C ATOM 0 H ILE A 13 -7.741 -5.260 -3.618 1.00 0.00 H new ATOM 0 HA ILE A 13 -7.530 -2.354 -3.608 1.00 0.00 H new ATOM 0 HB ILE A 13 -8.760 -4.259 -5.644 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.374 -4.691 -5.379 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -6.693 -3.930 -6.925 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -8.585 -2.340 -7.184 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -9.643 -1.977 -5.799 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -7.987 -1.328 -5.848 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -4.693 -2.986 -5.879 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -5.968 -1.751 -6.018 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.644 -2.524 -4.448 1.00 0.00 H new ATOM 96 N GLY A 14 -9.956 -1.689 -3.336 1.00 0.00 N ATOM 97 CA GLY A 14 -11.309 -1.339 -2.932 1.00 0.00 C ATOM 98 C GLY A 14 -11.396 -0.881 -1.487 1.00 0.00 C ATOM 99 O GLY A 14 -12.367 -0.238 -1.094 1.00 0.00 O ATOM 0 H GLY A 14 -9.348 -0.894 -3.534 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.683 -0.548 -3.582 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.960 -2.202 -3.074 1.00 0.00 H new ATOM 103 N LEU A 15 -10.377 -1.207 -0.695 1.00 0.00 N ATOM 104 CA LEU A 15 -10.350 -0.817 0.710 1.00 0.00 C ATOM 105 C LEU A 15 -9.282 0.244 0.967 1.00 0.00 C ATOM 106 O LEU A 15 -8.338 0.393 0.190 1.00 0.00 O ATOM 107 CB LEU A 15 -10.123 -2.033 1.618 1.00 0.00 C ATOM 108 CG LEU A 15 -8.992 -2.981 1.202 1.00 0.00 C ATOM 109 CD1 LEU A 15 -8.613 -3.891 2.361 1.00 0.00 C ATOM 110 CD2 LEU A 15 -9.410 -3.815 -0.001 1.00 0.00 C ATOM 0 H LEU A 15 -9.562 -1.738 -1.002 1.00 0.00 H new ATOM 0 HA LEU A 15 -11.323 -0.388 0.949 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.917 -1.675 2.627 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -11.050 -2.604 1.665 1.00 0.00 H new ATOM 0 HG LEU A 15 -8.125 -2.381 0.926 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.809 -4.559 2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.278 -3.286 3.204 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.480 -4.481 2.659 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -8.595 -4.482 -0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.290 -4.405 0.254 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.644 -3.156 -0.837 1.00 0.00 H new ATOM 122 N SER A 16 -9.444 0.983 2.061 1.00 0.00 N ATOM 123 CA SER A 16 -8.504 2.037 2.425 1.00 0.00 C ATOM 124 C SER A 16 -7.203 1.452 2.965 1.00 0.00 C ATOM 125 O SER A 16 -7.167 0.307 3.414 1.00 0.00 O ATOM 126 CB SER A 16 -9.129 2.968 3.466 1.00 0.00 C ATOM 127 OG SER A 16 -8.225 3.994 3.841 1.00 0.00 O ATOM 0 H SER A 16 -10.221 0.870 2.713 1.00 0.00 H new ATOM 0 HA SER A 16 -8.275 2.608 1.525 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.040 3.411 3.062 1.00 0.00 H new ATOM 0 HB3 SER A 16 -9.417 2.393 4.346 1.00 0.00 H new ATOM 0 HG SER A 16 -7.662 4.230 3.074 1.00 0.00 H new ATOM 133 N VAL A 17 -6.137 2.246 2.912 1.00 0.00 N ATOM 134 CA VAL A 17 -4.832 1.809 3.390 1.00 0.00 C ATOM 135 C VAL A 17 -4.125 2.926 4.158 1.00 0.00 C ATOM 136 O VAL A 17 -3.701 3.924 3.577 1.00 0.00 O ATOM 137 CB VAL A 17 -3.945 1.340 2.219 1.00 0.00 C ATOM 138 CG1 VAL A 17 -3.838 2.425 1.156 1.00 0.00 C ATOM 139 CG2 VAL A 17 -2.567 0.926 2.716 1.00 0.00 C ATOM 0 H VAL A 17 -6.153 3.196 2.542 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.996 0.970 4.066 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.414 0.467 1.765 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.208 2.073 0.339 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.831 2.659 0.773 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.398 3.321 1.594 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.959 0.599 1.872 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.086 1.774 3.203 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.668 0.108 3.429 1.00 0.00 H new ATOM 149 N ARG A 18 -4.001 2.745 5.471 1.00 0.00 N ATOM 150 CA ARG A 18 -3.345 3.733 6.321 1.00 0.00 C ATOM 151 C ARG A 18 -1.837 3.504 6.353 1.00 0.00 C ATOM 152 O ARG A 18 -1.375 2.366 6.422 1.00 0.00 O ATOM 153 CB ARG A 18 -3.914 3.672 7.740 1.00 0.00 C ATOM 154 CG ARG A 18 -3.284 4.676 8.694 1.00 0.00 C ATOM 155 CD ARG A 18 -3.887 4.573 10.086 1.00 0.00 C ATOM 156 NE ARG A 18 -3.284 5.525 11.018 1.00 0.00 N ATOM 157 CZ ARG A 18 -2.015 5.469 11.421 1.00 0.00 C ATOM 158 NH1 ARG A 18 -1.225 4.484 11.017 1.00 0.00 N ATOM 159 NH2 ARG A 18 -1.542 6.395 12.244 1.00 0.00 N ATOM 0 H ARG A 18 -4.346 1.924 5.968 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.535 4.722 5.904 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.989 3.848 7.699 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.770 2.667 8.137 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.209 4.504 8.748 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.426 5.685 8.308 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.961 4.752 10.030 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.752 3.560 10.465 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.870 6.277 11.381 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.587 3.763 10.394 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.255 4.448 11.330 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.149 7.148 12.567 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -0.571 6.354 12.554 1.00 0.00 H new ATOM 173 N ILE A 19 -1.076 4.592 6.299 1.00 0.00 N ATOM 174 CA ILE A 19 0.380 4.505 6.317 1.00 0.00 C ATOM 175 C ILE A 19 0.927 4.667 7.732 1.00 0.00 C ATOM 176 O ILE A 19 0.878 5.753 8.308 1.00 0.00 O ATOM 177 CB ILE A 19 1.017 5.572 5.403 1.00 0.00 C ATOM 178 CG1 ILE A 19 0.502 5.424 3.970 1.00 0.00 C ATOM 179 CG2 ILE A 19 2.537 5.467 5.434 1.00 0.00 C ATOM 180 CD1 ILE A 19 0.831 4.077 3.345 1.00 0.00 C ATOM 0 H ILE A 19 -1.442 5.542 6.243 1.00 0.00 H new ATOM 0 HA ILE A 19 0.642 3.515 5.944 1.00 0.00 H new ATOM 0 HB ILE A 19 0.732 6.556 5.775 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.579 5.564 3.964 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.930 6.216 3.355 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.968 6.228 4.783 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.891 5.619 6.454 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.841 4.479 5.088 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.436 4.041 2.330 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.912 3.942 3.319 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.380 3.281 3.938 1.00 0.00 H new ATOM 192 N ALA A 20 1.458 3.578 8.284 1.00 0.00 N ATOM 193 CA ALA A 20 2.025 3.601 9.627 1.00 0.00 C ATOM 194 C ALA A 20 3.430 4.188 9.608 1.00 0.00 C ATOM 195 O ALA A 20 3.885 4.780 10.586 1.00 0.00 O ATOM 196 CB ALA A 20 2.039 2.200 10.222 1.00 0.00 C ATOM 0 H ALA A 20 1.507 2.670 7.821 1.00 0.00 H new ATOM 0 HA ALA A 20 1.399 4.236 10.253 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.465 2.235 11.225 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.020 1.817 10.274 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.642 1.544 9.594 1.00 0.00 H new ATOM 202 N ARG A 21 4.105 4.026 8.478 1.00 0.00 N ATOM 203 CA ARG A 21 5.455 4.542 8.304 1.00 0.00 C ATOM 204 C ARG A 21 5.867 4.476 6.841 1.00 0.00 C ATOM 205 O ARG A 21 5.492 3.553 6.119 1.00 0.00 O ATOM 206 CB ARG A 21 6.451 3.759 9.154 1.00 0.00 C ATOM 207 CG ARG A 21 7.870 4.299 9.085 1.00 0.00 C ATOM 208 CD ARG A 21 7.948 5.724 9.613 1.00 0.00 C ATOM 209 NE ARG A 21 9.310 6.251 9.569 1.00 0.00 N ATOM 210 CZ ARG A 21 9.648 7.470 9.982 1.00 0.00 C ATOM 211 NH1 ARG A 21 8.726 8.291 10.471 1.00 0.00 N ATOM 212 NH2 ARG A 21 10.909 7.870 9.909 1.00 0.00 N ATOM 0 H ARG A 21 3.736 3.537 7.663 1.00 0.00 H new ATOM 0 HA ARG A 21 5.459 5.582 8.629 1.00 0.00 H new ATOM 0 HB2 ARG A 21 6.117 3.770 10.192 1.00 0.00 H new ATOM 0 HB3 ARG A 21 6.452 2.718 8.831 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.534 3.658 9.665 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.222 4.272 8.054 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.292 6.365 9.024 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.582 5.751 10.639 1.00 0.00 H new ATOM 0 HE ARG A 21 10.046 5.649 9.200 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.754 7.988 10.531 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.990 9.224 10.786 1.00 0.00 H new ATOM 0 HH21 ARG A 21 11.622 7.243 9.536 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.167 8.805 10.226 1.00 0.00 H new ATOM 226 N SER A 22 6.635 5.464 6.414 1.00 0.00 N ATOM 227 CA SER A 22 7.104 5.529 5.034 1.00 0.00 C ATOM 228 C SER A 22 8.551 6.001 4.963 1.00 0.00 C ATOM 229 O SER A 22 9.087 6.542 5.930 1.00 0.00 O ATOM 230 CB SER A 22 6.212 6.454 4.207 1.00 0.00 C ATOM 231 OG SER A 22 6.594 6.439 2.844 1.00 0.00 O ATOM 0 H SER A 22 6.949 6.236 7.002 1.00 0.00 H new ATOM 0 HA SER A 22 7.053 4.522 4.620 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.172 6.142 4.301 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.276 7.470 4.596 1.00 0.00 H new ATOM 0 HG SER A 22 5.993 5.849 2.342 1.00 0.00 H new ATOM 237 N VAL A 23 9.178 5.796 3.809 1.00 0.00 N ATOM 238 CA VAL A 23 10.563 6.202 3.606 1.00 0.00 C ATOM 239 C VAL A 23 10.716 7.719 3.709 1.00 0.00 C ATOM 240 O VAL A 23 11.639 8.215 4.355 1.00 0.00 O ATOM 241 CB VAL A 23 11.086 5.737 2.231 1.00 0.00 C ATOM 242 CG1 VAL A 23 10.247 6.334 1.108 1.00 0.00 C ATOM 243 CG2 VAL A 23 12.555 6.103 2.062 1.00 0.00 C ATOM 0 H VAL A 23 8.747 5.350 2.999 1.00 0.00 H new ATOM 0 HA VAL A 23 11.150 5.728 4.392 1.00 0.00 H new ATOM 0 HB VAL A 23 10.999 4.652 2.181 1.00 0.00 H new ATOM 0 HG11 VAL A 23 10.632 5.994 0.146 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.211 6.014 1.218 1.00 0.00 H new ATOM 0 HG13 VAL A 23 10.297 7.422 1.155 1.00 0.00 H new ATOM 0 HG21 VAL A 23 12.904 5.766 1.086 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.671 7.184 2.136 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.142 5.621 2.843 1.00 0.00 H new ATOM 253 N HIS A 24 9.811 8.449 3.065 1.00 0.00 N ATOM 254 CA HIS A 24 9.855 9.907 3.083 1.00 0.00 C ATOM 255 C HIS A 24 8.752 10.473 3.976 1.00 0.00 C ATOM 256 O HIS A 24 7.619 9.993 3.964 1.00 0.00 O ATOM 257 CB HIS A 24 9.734 10.453 1.657 1.00 0.00 C ATOM 258 CG HIS A 24 9.963 11.927 1.551 1.00 0.00 C ATOM 259 ND1 HIS A 24 11.040 12.564 2.134 1.00 0.00 N ATOM 260 CD2 HIS A 24 9.262 12.888 0.909 1.00 0.00 C ATOM 261 CE1 HIS A 24 10.987 13.855 1.855 1.00 0.00 C ATOM 262 NE2 HIS A 24 9.918 14.077 1.112 1.00 0.00 N ATOM 0 H HIS A 24 9.040 8.056 2.525 1.00 0.00 H new ATOM 0 HA HIS A 24 10.813 10.221 3.497 1.00 0.00 H new ATOM 0 HB2 HIS A 24 10.451 9.937 1.019 1.00 0.00 H new ATOM 0 HB3 HIS A 24 8.741 10.221 1.273 1.00 0.00 H new ATOM 0 HD2 HIS A 24 8.354 12.747 0.341 1.00 0.00 H new ATOM 0 HE1 HIS A 24 11.697 14.601 2.179 1.00 0.00 H new ATOM 0 HE2 HIS A 24 9.627 14.984 0.748 1.00 0.00 H new ATOM 271 N ARG A 25 9.104 11.481 4.770 1.00 0.00 N ATOM 272 CA ARG A 25 8.164 12.103 5.701 1.00 0.00 C ATOM 273 C ARG A 25 6.942 12.681 4.997 1.00 0.00 C ATOM 274 O ARG A 25 5.826 12.605 5.510 1.00 0.00 O ATOM 275 CB ARG A 25 8.866 13.199 6.506 1.00 0.00 C ATOM 276 CG ARG A 25 7.968 13.870 7.532 1.00 0.00 C ATOM 277 CD ARG A 25 8.713 14.950 8.301 1.00 0.00 C ATOM 278 NE ARG A 25 7.864 15.601 9.297 1.00 0.00 N ATOM 279 CZ ARG A 25 6.810 16.357 8.995 1.00 0.00 C ATOM 280 NH1 ARG A 25 6.498 16.603 7.729 1.00 0.00 N ATOM 281 NH2 ARG A 25 6.074 16.883 9.965 1.00 0.00 N ATOM 0 H ARG A 25 10.039 11.887 4.787 1.00 0.00 H new ATOM 0 HA ARG A 25 7.813 11.319 6.372 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.728 12.768 7.016 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.247 13.955 5.819 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.105 14.308 7.031 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.587 13.123 8.228 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.579 14.510 8.795 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.090 15.697 7.603 1.00 0.00 H new ATOM 0 HE ARG A 25 8.092 15.468 10.282 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.067 16.212 6.978 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.689 17.183 7.507 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.316 16.708 10.940 1.00 0.00 H new ATOM 0 HH22 ARG A 25 5.266 17.462 9.735 1.00 0.00 H new ATOM 295 N ASP A 26 7.156 13.268 3.831 1.00 0.00 N ATOM 296 CA ASP A 26 6.065 13.873 3.068 1.00 0.00 C ATOM 297 C ASP A 26 4.946 12.870 2.806 1.00 0.00 C ATOM 298 O ASP A 26 3.800 13.251 2.568 1.00 0.00 O ATOM 299 CB ASP A 26 6.579 14.436 1.744 1.00 0.00 C ATOM 300 CG ASP A 26 5.504 15.179 0.977 1.00 0.00 C ATOM 301 OD1 ASP A 26 4.968 16.171 1.517 1.00 0.00 O ATOM 302 OD2 ASP A 26 5.198 14.772 -0.162 1.00 0.00 O ATOM 0 H ASP A 26 8.072 13.341 3.389 1.00 0.00 H new ATOM 0 HA ASP A 26 5.660 14.688 3.667 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.414 15.109 1.938 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.962 13.621 1.130 1.00 0.00 H new ATOM 307 N ILE A 27 5.287 11.590 2.852 1.00 0.00 N ATOM 308 CA ILE A 27 4.320 10.531 2.620 1.00 0.00 C ATOM 309 C ILE A 27 4.085 9.696 3.879 1.00 0.00 C ATOM 310 O ILE A 27 3.137 8.914 3.946 1.00 0.00 O ATOM 311 CB ILE A 27 4.767 9.605 1.475 1.00 0.00 C ATOM 312 CG1 ILE A 27 6.170 9.060 1.751 1.00 0.00 C ATOM 313 CG2 ILE A 27 4.726 10.343 0.144 1.00 0.00 C ATOM 314 CD1 ILE A 27 6.675 8.116 0.679 1.00 0.00 C ATOM 0 H ILE A 27 6.232 11.260 3.049 1.00 0.00 H new ATOM 0 HA ILE A 27 3.386 11.019 2.342 1.00 0.00 H new ATOM 0 HB ILE A 27 4.076 8.764 1.417 1.00 0.00 H new ATOM 0 HG12 ILE A 27 6.864 9.896 1.844 1.00 0.00 H new ATOM 0 HG13 ILE A 27 6.167 8.540 2.709 1.00 0.00 H new ATOM 0 HG21 ILE A 27 5.045 9.672 -0.654 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.709 10.683 -0.053 1.00 0.00 H new ATOM 0 HG23 ILE A 27 5.394 11.203 0.184 1.00 0.00 H new ATOM 0 HD11 ILE A 27 7.675 7.769 0.941 1.00 0.00 H new ATOM 0 HD12 ILE A 27 6.003 7.261 0.601 1.00 0.00 H new ATOM 0 HD13 ILE A 27 6.711 8.637 -0.278 1.00 0.00 H new ATOM 326 N GLN A 28 4.955 9.863 4.873 1.00 0.00 N ATOM 327 CA GLN A 28 4.844 9.123 6.121 1.00 0.00 C ATOM 328 C GLN A 28 3.722 9.677 6.994 1.00 0.00 C ATOM 329 O GLN A 28 3.549 10.890 7.108 1.00 0.00 O ATOM 330 CB GLN A 28 6.177 9.172 6.876 1.00 0.00 C ATOM 331 CG GLN A 28 6.183 8.399 8.188 1.00 0.00 C ATOM 332 CD GLN A 28 5.386 9.082 9.284 1.00 0.00 C ATOM 333 OE1 GLN A 28 5.649 10.231 9.636 1.00 0.00 O ATOM 334 NE2 GLN A 28 4.407 8.372 9.834 1.00 0.00 N ATOM 0 H GLN A 28 5.745 10.507 4.835 1.00 0.00 H new ATOM 0 HA GLN A 28 4.603 8.087 5.884 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.961 8.776 6.231 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.428 10.213 7.080 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.776 7.402 8.018 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.212 8.270 8.522 1.00 0.00 H new ATOM 0 HE21 GLN A 28 4.223 7.422 9.512 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.840 8.777 10.579 1.00 0.00 H new ATOM 343 N GLY A 29 2.972 8.774 7.620 1.00 0.00 N ATOM 344 CA GLY A 29 1.883 9.183 8.490 1.00 0.00 C ATOM 345 C GLY A 29 0.651 9.644 7.732 1.00 0.00 C ATOM 346 O GLY A 29 -0.272 10.199 8.326 1.00 0.00 O ATOM 0 H GLY A 29 3.099 7.765 7.540 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.612 8.349 9.138 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.227 9.990 9.136 1.00 0.00 H new ATOM 350 N ILE A 30 0.630 9.417 6.421 1.00 0.00 N ATOM 351 CA ILE A 30 -0.500 9.818 5.605 1.00 0.00 C ATOM 352 C ILE A 30 -1.370 8.624 5.234 1.00 0.00 C ATOM 353 O ILE A 30 -0.884 7.636 4.686 1.00 0.00 O ATOM 354 CB ILE A 30 -0.049 10.530 4.314 1.00 0.00 C ATOM 355 CG1 ILE A 30 0.863 11.712 4.652 1.00 0.00 C ATOM 356 CG2 ILE A 30 -1.258 10.997 3.510 1.00 0.00 C ATOM 357 CD1 ILE A 30 1.235 12.555 3.448 1.00 0.00 C ATOM 0 H ILE A 30 1.383 8.959 5.907 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.082 10.515 6.208 1.00 0.00 H new ATOM 0 HB ILE A 30 0.513 9.822 3.704 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.367 12.344 5.388 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.774 11.336 5.117 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.920 11.497 2.602 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.872 10.137 3.243 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.847 11.691 4.109 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.882 13.374 3.763 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.760 11.937 2.719 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.331 12.961 2.995 1.00 0.00 H new ATOM 369 N SER A 31 -2.661 8.730 5.522 1.00 0.00 N ATOM 370 CA SER A 31 -3.605 7.665 5.205 1.00 0.00 C ATOM 371 C SER A 31 -4.245 7.924 3.847 1.00 0.00 C ATOM 372 O SER A 31 -4.361 9.074 3.422 1.00 0.00 O ATOM 373 CB SER A 31 -4.684 7.567 6.284 1.00 0.00 C ATOM 374 OG SER A 31 -5.408 8.780 6.394 1.00 0.00 O ATOM 0 H SER A 31 -3.079 9.543 5.975 1.00 0.00 H new ATOM 0 HA SER A 31 -3.064 6.719 5.169 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.368 6.752 6.046 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.223 7.327 7.242 1.00 0.00 H new ATOM 0 HG SER A 31 -6.093 8.690 7.089 1.00 0.00 H new ATOM 380 N GLY A 32 -4.659 6.862 3.164 1.00 0.00 N ATOM 381 CA GLY A 32 -5.271 7.032 1.862 1.00 0.00 C ATOM 382 C GLY A 32 -5.953 5.778 1.364 1.00 0.00 C ATOM 383 O GLY A 32 -6.202 4.851 2.130 1.00 0.00 O ATOM 0 H GLY A 32 -4.582 5.897 3.485 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.000 7.841 1.912 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.508 7.334 1.144 1.00 0.00 H new ATOM 387 N ARG A 33 -6.265 5.764 0.076 1.00 0.00 N ATOM 388 CA ARG A 33 -6.932 4.634 -0.554 1.00 0.00 C ATOM 389 C ARG A 33 -5.984 3.876 -1.494 1.00 0.00 C ATOM 390 O ARG A 33 -4.837 4.255 -1.673 1.00 0.00 O ATOM 391 CB ARG A 33 -8.236 5.049 -1.218 1.00 0.00 C ATOM 392 CG ARG A 33 -9.372 5.302 -0.230 1.00 0.00 C ATOM 393 CD ARG A 33 -8.924 6.115 0.977 1.00 0.00 C ATOM 394 NE ARG A 33 -10.058 6.573 1.778 1.00 0.00 N ATOM 395 CZ ARG A 33 -9.937 7.310 2.880 1.00 0.00 C ATOM 396 NH1 ARG A 33 -8.737 7.674 3.317 1.00 0.00 N ATOM 397 NH2 ARG A 33 -11.019 7.686 3.548 1.00 0.00 N ATOM 0 H ARG A 33 -6.063 6.535 -0.561 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.210 3.928 0.229 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.065 5.954 -1.801 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -8.541 4.271 -1.918 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.181 5.827 -0.738 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.775 4.347 0.108 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.263 5.510 1.597 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.346 6.976 0.641 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.996 6.313 1.475 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.901 7.389 2.808 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -8.652 8.239 4.162 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.944 7.411 3.217 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -10.926 8.251 4.392 1.00 0.00 H new ATOM 411 N VAL A 34 -6.444 2.741 -1.988 1.00 0.00 N ATOM 412 CA VAL A 34 -5.611 1.842 -2.815 1.00 0.00 C ATOM 413 C VAL A 34 -5.864 1.901 -4.324 1.00 0.00 C ATOM 414 O VAL A 34 -6.962 2.222 -4.761 1.00 0.00 O ATOM 415 CB VAL A 34 -5.781 0.382 -2.351 1.00 0.00 C ATOM 416 CG1 VAL A 34 -7.205 -0.097 -2.587 1.00 0.00 C ATOM 417 CG2 VAL A 34 -4.779 -0.526 -3.052 1.00 0.00 C ATOM 0 H VAL A 34 -7.395 2.405 -1.838 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.595 2.206 -2.663 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.584 0.340 -1.280 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.302 -1.130 -2.252 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.898 0.532 -2.028 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.438 -0.037 -3.650 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.916 -1.552 -2.710 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.937 -0.479 -4.129 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.766 -0.198 -2.819 1.00 0.00 H new ATOM 427 N VAL A 35 -4.836 1.518 -5.108 1.00 0.00 N ATOM 428 CA VAL A 35 -4.951 1.428 -6.571 1.00 0.00 C ATOM 429 C VAL A 35 -4.312 0.139 -7.055 1.00 0.00 C ATOM 430 O VAL A 35 -4.915 -0.641 -7.792 1.00 0.00 O ATOM 431 CB VAL A 35 -4.220 2.541 -7.329 1.00 0.00 C ATOM 432 CG1 VAL A 35 -4.615 2.535 -8.798 1.00 0.00 C ATOM 433 CG2 VAL A 35 -4.458 3.884 -6.712 1.00 0.00 C ATOM 0 H VAL A 35 -3.916 1.266 -4.747 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.021 1.495 -6.770 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.151 2.342 -7.259 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.086 3.332 -9.320 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.353 1.574 -9.241 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.690 2.694 -8.886 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.922 4.645 -7.279 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.525 4.106 -6.724 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.100 3.880 -5.682 1.00 0.00 H new ATOM 443 N ASP A 36 -3.070 -0.064 -6.625 1.00 0.00 N ATOM 444 CA ASP A 36 -2.308 -1.245 -6.994 1.00 0.00 C ATOM 445 C ASP A 36 -1.144 -1.469 -6.032 1.00 0.00 C ATOM 446 O ASP A 36 -0.710 -0.544 -5.339 1.00 0.00 O ATOM 447 CB ASP A 36 -1.787 -1.114 -8.427 1.00 0.00 C ATOM 448 CG ASP A 36 -1.009 -2.336 -8.877 1.00 0.00 C ATOM 449 OD1 ASP A 36 -1.592 -3.439 -8.891 1.00 0.00 O ATOM 450 OD2 ASP A 36 0.184 -2.187 -9.217 1.00 0.00 O ATOM 0 H ASP A 36 -2.569 0.583 -6.015 1.00 0.00 H new ATOM 0 HA ASP A 36 -2.972 -2.107 -6.934 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.627 -0.954 -9.102 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.148 -0.234 -8.499 1.00 0.00 H new ATOM 455 N GLU A 37 -0.621 -2.689 -6.023 1.00 0.00 N ATOM 456 CA GLU A 37 0.516 -3.036 -5.179 1.00 0.00 C ATOM 457 C GLU A 37 1.687 -3.485 -6.048 1.00 0.00 C ATOM 458 O GLU A 37 1.664 -4.580 -6.610 1.00 0.00 O ATOM 459 CB GLU A 37 0.137 -4.140 -4.192 1.00 0.00 C ATOM 460 CG GLU A 37 -0.998 -3.757 -3.257 1.00 0.00 C ATOM 461 CD GLU A 37 -1.351 -4.865 -2.284 1.00 0.00 C ATOM 462 OE1 GLU A 37 -1.730 -5.963 -2.746 1.00 0.00 O ATOM 463 OE2 GLU A 37 -1.247 -4.636 -1.060 1.00 0.00 O ATOM 0 H GLU A 37 -0.969 -3.459 -6.594 1.00 0.00 H new ATOM 0 HA GLU A 37 0.811 -2.154 -4.610 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.148 -5.032 -4.750 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.013 -4.402 -3.598 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.718 -2.864 -2.699 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.879 -3.502 -3.846 1.00 0.00 H new ATOM 470 N THR A 38 2.700 -2.631 -6.173 1.00 0.00 N ATOM 471 CA THR A 38 3.859 -2.949 -6.995 1.00 0.00 C ATOM 472 C THR A 38 5.044 -3.369 -6.136 1.00 0.00 C ATOM 473 O THR A 38 5.199 -2.915 -5.002 1.00 0.00 O ATOM 474 CB THR A 38 4.237 -1.742 -7.855 1.00 0.00 C ATOM 475 OG1 THR A 38 3.126 -1.304 -8.616 1.00 0.00 O ATOM 476 CG2 THR A 38 5.370 -2.018 -8.820 1.00 0.00 C ATOM 0 H THR A 38 2.740 -1.719 -5.717 1.00 0.00 H new ATOM 0 HA THR A 38 3.597 -3.786 -7.643 1.00 0.00 H new ATOM 0 HB THR A 38 4.563 -0.979 -7.149 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.386 -0.530 -9.159 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.584 -1.118 -9.397 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.259 -2.312 -8.262 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.084 -2.823 -9.497 1.00 0.00 H new ATOM 484 N ARG A 39 5.879 -4.240 -6.690 1.00 0.00 N ATOM 485 CA ARG A 39 7.059 -4.733 -5.991 1.00 0.00 C ATOM 486 C ARG A 39 7.917 -3.587 -5.464 1.00 0.00 C ATOM 487 O ARG A 39 8.697 -3.767 -4.528 1.00 0.00 O ATOM 488 CB ARG A 39 7.887 -5.614 -6.927 1.00 0.00 C ATOM 489 CG ARG A 39 8.368 -4.888 -8.174 1.00 0.00 C ATOM 490 CD ARG A 39 9.094 -5.825 -9.125 1.00 0.00 C ATOM 491 NE ARG A 39 9.557 -5.134 -10.327 1.00 0.00 N ATOM 492 CZ ARG A 39 10.175 -5.740 -11.339 1.00 0.00 C ATOM 493 NH1 ARG A 39 10.395 -7.049 -11.304 1.00 0.00 N ATOM 494 NH2 ARG A 39 10.570 -5.036 -12.390 1.00 0.00 N ATOM 0 H ARG A 39 5.759 -4.622 -7.628 1.00 0.00 H new ATOM 0 HA ARG A 39 6.722 -5.320 -5.137 1.00 0.00 H new ATOM 0 HB2 ARG A 39 8.750 -5.997 -6.383 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.290 -6.476 -7.225 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.516 -4.439 -8.685 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.033 -4.074 -7.887 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.946 -6.272 -8.613 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.429 -6.640 -9.409 1.00 0.00 H new ATOM 0 HE ARG A 39 9.397 -4.129 -10.395 1.00 0.00 H new ATOM 0 HH11 ARG A 39 10.090 -7.596 -10.499 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.869 -7.507 -12.082 1.00 0.00 H new ATOM 0 HH21 ARG A 39 10.401 -4.031 -12.423 1.00 0.00 H new ATOM 0 HH22 ARG A 39 11.043 -5.499 -13.166 1.00 0.00 H new ATOM 508 N ASN A 40 7.784 -2.408 -6.066 1.00 0.00 N ATOM 509 CA ASN A 40 8.571 -1.254 -5.639 1.00 0.00 C ATOM 510 C ASN A 40 7.745 0.031 -5.567 1.00 0.00 C ATOM 511 O ASN A 40 8.305 1.121 -5.461 1.00 0.00 O ATOM 512 CB ASN A 40 9.776 -1.054 -6.570 1.00 0.00 C ATOM 513 CG ASN A 40 9.414 -0.799 -8.033 1.00 0.00 C ATOM 514 OD1 ASN A 40 10.304 -0.683 -8.875 1.00 0.00 O ATOM 515 ND2 ASN A 40 8.124 -0.698 -8.355 1.00 0.00 N ATOM 0 H ASN A 40 7.147 -2.227 -6.842 1.00 0.00 H new ATOM 0 HA ASN A 40 8.920 -1.468 -4.629 1.00 0.00 H new ATOM 0 HB2 ASN A 40 10.366 -0.214 -6.204 1.00 0.00 H new ATOM 0 HB3 ASN A 40 10.411 -1.938 -6.515 1.00 0.00 H new ATOM 0 HD21 ASN A 40 7.852 -0.520 -9.322 1.00 0.00 H new ATOM 0 HD22 ASN A 40 7.409 -0.799 -7.634 1.00 0.00 H new ATOM 522 N THR A 41 6.418 -0.089 -5.615 1.00 0.00 N ATOM 523 CA THR A 41 5.564 1.091 -5.541 1.00 0.00 C ATOM 524 C THR A 41 4.158 0.743 -5.081 1.00 0.00 C ATOM 525 O THR A 41 3.697 -0.387 -5.231 1.00 0.00 O ATOM 526 CB THR A 41 5.512 1.812 -6.888 1.00 0.00 C ATOM 527 OG1 THR A 41 5.302 0.900 -7.950 1.00 0.00 O ATOM 528 CG2 THR A 41 6.768 2.598 -7.190 1.00 0.00 C ATOM 0 H THR A 41 5.921 -0.975 -5.703 1.00 0.00 H new ATOM 0 HA THR A 41 6.004 1.758 -4.800 1.00 0.00 H new ATOM 0 HB THR A 41 4.676 2.507 -6.808 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.271 1.388 -8.799 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.668 3.086 -8.160 1.00 0.00 H new ATOM 0 HG22 THR A 41 6.920 3.352 -6.418 1.00 0.00 H new ATOM 0 HG23 THR A 41 7.624 1.923 -7.210 1.00 0.00 H new ATOM 536 N LEU A 42 3.484 1.736 -4.517 1.00 0.00 N ATOM 537 CA LEU A 42 2.124 1.566 -4.023 1.00 0.00 C ATOM 538 C LEU A 42 1.254 2.713 -4.511 1.00 0.00 C ATOM 539 O LEU A 42 1.434 3.860 -4.099 1.00 0.00 O ATOM 540 CB LEU A 42 2.132 1.501 -2.493 1.00 0.00 C ATOM 541 CG LEU A 42 0.786 1.216 -1.819 1.00 0.00 C ATOM 542 CD1 LEU A 42 -0.195 2.361 -2.047 1.00 0.00 C ATOM 543 CD2 LEU A 42 0.202 -0.095 -2.332 1.00 0.00 C ATOM 0 H LEU A 42 3.861 2.675 -4.389 1.00 0.00 H new ATOM 0 HA LEU A 42 1.711 0.632 -4.405 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.838 0.729 -2.187 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.511 2.449 -2.112 1.00 0.00 H new ATOM 0 HG LEU A 42 0.957 1.127 -0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.142 2.132 -1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.216 3.281 -1.630 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.361 2.490 -3.116 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.754 -0.283 -1.844 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.052 -0.030 -3.410 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.890 -0.911 -2.110 1.00 0.00 H new ATOM 555 N ARG A 43 0.319 2.405 -5.400 1.00 0.00 N ATOM 556 CA ARG A 43 -0.564 3.423 -5.947 1.00 0.00 C ATOM 557 C ARG A 43 -1.838 3.528 -5.104 1.00 0.00 C ATOM 558 O ARG A 43 -2.524 2.532 -4.867 1.00 0.00 O ATOM 559 CB ARG A 43 -0.873 3.106 -7.412 1.00 0.00 C ATOM 560 CG ARG A 43 -1.448 4.278 -8.192 1.00 0.00 C ATOM 561 CD ARG A 43 -1.685 3.915 -9.651 1.00 0.00 C ATOM 562 NE ARG A 43 -2.225 5.036 -10.416 1.00 0.00 N ATOM 563 CZ ARG A 43 -1.550 6.155 -10.672 1.00 0.00 C ATOM 564 NH1 ARG A 43 -0.292 6.287 -10.269 1.00 0.00 N ATOM 565 NH2 ARG A 43 -2.128 7.139 -11.345 1.00 0.00 N ATOM 0 H ARG A 43 0.154 1.463 -5.755 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.070 4.394 -5.912 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.042 2.772 -7.901 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.578 2.276 -7.452 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.387 4.593 -7.737 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.765 5.126 -8.133 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.747 3.589 -10.100 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.375 3.073 -9.707 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.176 4.957 -10.776 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.163 5.529 -9.760 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.220 7.147 -10.468 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.091 7.040 -11.667 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.610 7.996 -11.541 1.00 0.00 H new ATOM 579 N ILE A 44 -2.110 4.745 -4.626 1.00 0.00 N ATOM 580 CA ILE A 44 -3.263 5.030 -3.758 1.00 0.00 C ATOM 581 C ILE A 44 -4.455 5.634 -4.508 1.00 0.00 C ATOM 582 O ILE A 44 -4.366 6.738 -5.037 1.00 0.00 O ATOM 583 CB ILE A 44 -2.833 6.018 -2.641 1.00 0.00 C ATOM 584 CG1 ILE A 44 -1.808 5.356 -1.716 1.00 0.00 C ATOM 585 CG2 ILE A 44 -4.019 6.550 -1.839 1.00 0.00 C ATOM 586 CD1 ILE A 44 -1.323 6.258 -0.603 1.00 0.00 C ATOM 0 H ILE A 44 -1.538 5.565 -4.829 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.586 4.074 -3.347 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.375 6.878 -3.130 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.250 4.461 -1.280 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.952 5.032 -2.309 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.661 7.236 -1.072 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.702 7.076 -2.506 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.541 5.718 -1.367 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.600 5.721 0.011 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.851 7.142 -1.031 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.169 6.561 0.014 1.00 0.00 H new ATOM 598 N GLU A 45 -5.589 4.923 -4.514 1.00 0.00 N ATOM 599 CA GLU A 45 -6.796 5.424 -5.159 1.00 0.00 C ATOM 600 C GLU A 45 -7.960 5.357 -4.197 1.00 0.00 C ATOM 601 O GLU A 45 -8.140 4.349 -3.473 1.00 0.00 O ATOM 602 CB GLU A 45 -7.149 4.660 -6.448 1.00 0.00 C ATOM 603 CG GLU A 45 -8.576 4.882 -6.933 1.00 0.00 C ATOM 604 CD GLU A 45 -8.887 4.109 -8.199 1.00 0.00 C ATOM 605 OE1 GLU A 45 -8.209 4.346 -9.221 1.00 0.00 O ATOM 606 OE2 GLU A 45 -9.808 3.266 -8.170 1.00 0.00 O ATOM 0 H GLU A 45 -5.690 4.005 -4.081 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.596 6.458 -5.441 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.458 4.960 -7.236 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.996 3.594 -6.279 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.273 4.584 -6.149 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.734 5.945 -7.113 1.00 0.00 H new ATOM 613 N MET A 46 -8.733 6.447 -4.219 1.00 0.00 N ATOM 614 CA MET A 46 -9.914 6.620 -3.389 1.00 0.00 C ATOM 615 C MET A 46 -11.176 6.369 -4.208 1.00 0.00 C ATOM 616 O MET A 46 -11.319 6.885 -5.320 1.00 0.00 O ATOM 617 CB MET A 46 -9.944 8.044 -2.818 1.00 0.00 C ATOM 618 CG MET A 46 -8.895 8.323 -1.745 1.00 0.00 C ATOM 619 SD MET A 46 -7.192 8.102 -2.297 1.00 0.00 S ATOM 620 CE MET A 46 -6.930 9.605 -3.221 1.00 0.00 C ATOM 0 H MET A 46 -8.546 7.244 -4.827 1.00 0.00 H new ATOM 0 HA MET A 46 -9.875 5.902 -2.570 1.00 0.00 H new ATOM 0 HB2 MET A 46 -9.805 8.752 -3.635 1.00 0.00 H new ATOM 0 HB3 MET A 46 -10.932 8.232 -2.398 1.00 0.00 H new ATOM 0 HG2 MET A 46 -9.019 9.346 -1.389 1.00 0.00 H new ATOM 0 HG3 MET A 46 -9.077 7.665 -0.895 1.00 0.00 H new ATOM 0 HE1 MET A 46 -5.953 10.019 -2.972 1.00 0.00 H new ATOM 0 HE2 MET A 46 -6.971 9.388 -4.288 1.00 0.00 H new ATOM 0 HE3 MET A 46 -7.706 10.328 -2.968 1.00 0.00 H new ATOM 630 N ASP A 47 -12.090 5.576 -3.648 1.00 0.00 N ATOM 631 CA ASP A 47 -13.348 5.243 -4.316 1.00 0.00 C ATOM 632 C ASP A 47 -14.012 6.478 -4.917 1.00 0.00 C ATOM 633 O ASP A 47 -14.755 6.382 -5.895 1.00 0.00 O ATOM 634 CB ASP A 47 -14.305 4.564 -3.334 1.00 0.00 C ATOM 635 CG ASP A 47 -13.733 3.280 -2.765 1.00 0.00 C ATOM 636 OD1 ASP A 47 -13.439 2.359 -3.555 1.00 0.00 O ATOM 637 OD2 ASP A 47 -13.579 3.197 -1.528 1.00 0.00 O ATOM 0 H ASP A 47 -11.981 5.150 -2.728 1.00 0.00 H new ATOM 0 HA ASP A 47 -13.116 4.557 -5.131 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -14.532 5.250 -2.518 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -15.246 4.347 -3.839 1.00 0.00 H new ATOM 642 N ASP A 48 -13.737 7.635 -4.330 1.00 0.00 N ATOM 643 CA ASP A 48 -14.304 8.891 -4.810 1.00 0.00 C ATOM 644 C ASP A 48 -13.830 9.207 -6.230 1.00 0.00 C ATOM 645 O ASP A 48 -14.361 10.106 -6.882 1.00 0.00 O ATOM 646 CB ASP A 48 -13.924 10.036 -3.869 1.00 0.00 C ATOM 647 CG ASP A 48 -14.431 9.816 -2.457 1.00 0.00 C ATOM 648 OD1 ASP A 48 -14.047 8.801 -1.839 1.00 0.00 O ATOM 649 OD2 ASP A 48 -15.214 10.659 -1.969 1.00 0.00 O ATOM 0 H ASP A 48 -13.125 7.731 -3.520 1.00 0.00 H new ATOM 0 HA ASP A 48 -15.388 8.783 -4.828 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -12.839 10.143 -3.850 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -14.329 10.971 -4.256 1.00 0.00 H new ATOM 654 N GLY A 49 -12.830 8.467 -6.704 1.00 0.00 N ATOM 655 CA GLY A 49 -12.304 8.690 -8.035 1.00 0.00 C ATOM 656 C GLY A 49 -11.011 9.476 -8.021 1.00 0.00 C ATOM 657 O GLY A 49 -10.649 10.113 -9.012 1.00 0.00 O ATOM 0 H GLY A 49 -12.375 7.715 -6.186 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.137 7.729 -8.522 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.044 9.224 -8.630 1.00 0.00 H new ATOM 661 N ARG A 50 -10.310 9.425 -6.895 1.00 0.00 N ATOM 662 CA ARG A 50 -9.040 10.131 -6.749 1.00 0.00 C ATOM 663 C ARG A 50 -7.873 9.154 -6.830 1.00 0.00 C ATOM 664 O ARG A 50 -8.046 7.955 -6.616 1.00 0.00 O ATOM 665 CB ARG A 50 -9.003 10.891 -5.423 1.00 0.00 C ATOM 666 CG ARG A 50 -10.078 11.959 -5.305 1.00 0.00 C ATOM 667 CD ARG A 50 -10.041 12.638 -3.944 1.00 0.00 C ATOM 668 NE ARG A 50 -8.756 13.283 -3.687 1.00 0.00 N ATOM 669 CZ ARG A 50 -8.468 13.936 -2.564 1.00 0.00 C ATOM 670 NH1 ARG A 50 -9.368 14.032 -1.593 1.00 0.00 N ATOM 671 NH2 ARG A 50 -7.275 14.494 -2.410 1.00 0.00 N ATOM 0 H ARG A 50 -10.599 8.902 -6.068 1.00 0.00 H new ATOM 0 HA ARG A 50 -8.949 10.848 -7.565 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -9.116 10.181 -4.603 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -8.025 11.358 -5.308 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -9.940 12.704 -6.089 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -11.058 11.509 -5.462 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -10.837 13.381 -3.888 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -10.238 11.901 -3.166 1.00 0.00 H new ATOM 0 HE ARG A 50 -8.038 13.230 -4.410 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -10.287 13.604 -1.705 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -9.141 14.534 -0.735 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -6.579 14.422 -3.152 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -7.053 14.995 -1.549 1.00 0.00 H new ATOM 685 N GLU A 51 -6.685 9.662 -7.144 1.00 0.00 N ATOM 686 CA GLU A 51 -5.510 8.806 -7.251 1.00 0.00 C ATOM 687 C GLU A 51 -4.230 9.544 -6.865 1.00 0.00 C ATOM 688 O GLU A 51 -4.071 10.733 -7.143 1.00 0.00 O ATOM 689 CB GLU A 51 -5.384 8.262 -8.675 1.00 0.00 C ATOM 690 CG GLU A 51 -6.573 7.422 -9.112 1.00 0.00 C ATOM 691 CD GLU A 51 -6.422 6.891 -10.525 1.00 0.00 C ATOM 692 OE1 GLU A 51 -6.302 7.711 -11.459 1.00 0.00 O ATOM 693 OE2 GLU A 51 -6.424 5.652 -10.697 1.00 0.00 O ATOM 0 H GLU A 51 -6.512 10.650 -7.327 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.642 7.980 -6.552 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -5.266 9.097 -9.365 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.478 7.660 -8.746 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.695 6.585 -8.424 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.481 8.022 -9.048 1.00 0.00 H new ATOM 700 N ILE A 52 -3.317 8.815 -6.231 1.00 0.00 N ATOM 701 CA ILE A 52 -2.035 9.365 -5.799 1.00 0.00 C ATOM 702 C ILE A 52 -1.021 8.240 -5.583 1.00 0.00 C ATOM 703 O ILE A 52 -1.363 7.194 -5.044 1.00 0.00 O ATOM 704 CB ILE A 52 -2.183 10.179 -4.499 1.00 0.00 C ATOM 705 CG1 ILE A 52 -0.844 10.807 -4.104 1.00 0.00 C ATOM 706 CG2 ILE A 52 -2.715 9.300 -3.378 1.00 0.00 C ATOM 707 CD1 ILE A 52 -0.919 11.635 -2.831 1.00 0.00 C ATOM 0 H ILE A 52 -3.444 7.829 -6.002 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.680 10.031 -6.585 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.899 10.982 -4.674 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.105 10.017 -3.972 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.492 11.439 -4.920 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.813 9.891 -2.468 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.690 8.902 -3.659 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.024 8.476 -3.203 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.064 12.051 -2.609 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.634 12.446 -2.966 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.241 11.002 -2.004 1.00 0.00 H new ATOM 719 N THR A 53 0.218 8.451 -6.019 1.00 0.00 N ATOM 720 CA THR A 53 1.260 7.432 -5.880 1.00 0.00 C ATOM 721 C THR A 53 2.053 7.592 -4.584 1.00 0.00 C ATOM 722 O THR A 53 2.268 8.706 -4.105 1.00 0.00 O ATOM 723 CB THR A 53 2.211 7.486 -7.077 1.00 0.00 C ATOM 724 OG1 THR A 53 3.223 6.504 -6.957 1.00 0.00 O ATOM 725 CG2 THR A 53 2.891 8.829 -7.240 1.00 0.00 C ATOM 0 H THR A 53 0.526 9.313 -6.469 1.00 0.00 H new ATOM 0 HA THR A 53 0.763 6.463 -5.846 1.00 0.00 H new ATOM 0 HB THR A 53 1.586 7.304 -7.952 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.820 6.553 -7.733 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.551 8.800 -8.107 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.137 9.603 -7.384 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.474 9.052 -6.347 1.00 0.00 H new ATOM 733 N VAL A 54 2.497 6.462 -4.026 1.00 0.00 N ATOM 734 CA VAL A 54 3.278 6.463 -2.791 1.00 0.00 C ATOM 735 C VAL A 54 4.206 5.241 -2.725 1.00 0.00 C ATOM 736 O VAL A 54 3.744 4.101 -2.787 1.00 0.00 O ATOM 737 CB VAL A 54 2.364 6.472 -1.547 1.00 0.00 C ATOM 738 CG1 VAL A 54 3.192 6.536 -0.270 1.00 0.00 C ATOM 739 CG2 VAL A 54 1.387 7.638 -1.612 1.00 0.00 C ATOM 0 H VAL A 54 2.327 5.534 -4.413 1.00 0.00 H new ATOM 0 HA VAL A 54 3.879 7.372 -2.795 1.00 0.00 H new ATOM 0 HB VAL A 54 1.792 5.544 -1.535 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.528 6.541 0.594 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.848 5.667 -0.218 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.793 7.445 -0.271 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.750 7.629 -0.727 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.942 8.576 -1.651 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.769 7.545 -2.505 1.00 0.00 H new ATOM 749 N PRO A 55 5.533 5.460 -2.605 1.00 0.00 N ATOM 750 CA PRO A 55 6.521 4.368 -2.539 1.00 0.00 C ATOM 751 C PRO A 55 6.359 3.488 -1.296 1.00 0.00 C ATOM 752 O PRO A 55 6.459 3.970 -0.169 1.00 0.00 O ATOM 753 CB PRO A 55 7.868 5.102 -2.483 1.00 0.00 C ATOM 754 CG PRO A 55 7.585 6.481 -2.968 1.00 0.00 C ATOM 755 CD PRO A 55 6.179 6.780 -2.541 1.00 0.00 C ATOM 0 HA PRO A 55 6.414 3.689 -3.385 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.266 5.116 -1.468 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.611 4.609 -3.110 1.00 0.00 H new ATOM 0 HG2 PRO A 55 8.285 7.198 -2.540 1.00 0.00 H new ATOM 0 HG3 PRO A 55 7.687 6.544 -4.051 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.142 7.200 -1.536 1.00 0.00 H new ATOM 0 HD3 PRO A 55 5.698 7.498 -3.205 1.00 0.00 H new ATOM 763 N LYS A 56 6.114 2.194 -1.510 1.00 0.00 N ATOM 764 CA LYS A 56 5.949 1.254 -0.401 1.00 0.00 C ATOM 765 C LYS A 56 7.211 0.429 -0.150 1.00 0.00 C ATOM 766 O LYS A 56 7.240 -0.385 0.770 1.00 0.00 O ATOM 767 CB LYS A 56 4.779 0.304 -0.654 1.00 0.00 C ATOM 768 CG LYS A 56 4.926 -0.518 -1.925 1.00 0.00 C ATOM 769 CD LYS A 56 3.880 -1.621 -2.005 1.00 0.00 C ATOM 770 CE LYS A 56 4.092 -2.676 -0.928 1.00 0.00 C ATOM 771 NZ LYS A 56 3.064 -3.750 -0.994 1.00 0.00 N ATOM 0 H LYS A 56 6.026 1.775 -2.436 1.00 0.00 H new ATOM 0 HA LYS A 56 5.748 1.858 0.483 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.680 -0.371 0.196 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.857 0.883 -0.710 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.834 0.135 -2.793 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.923 -0.958 -1.961 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.885 -1.188 -1.900 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.921 -2.091 -2.988 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.083 -3.115 -1.040 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.061 -2.204 0.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.243 -4.449 -0.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.120 -3.335 -0.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.110 -4.218 -1.922 1.00 0.00 H new ATOM 785 N GLY A 57 8.244 0.623 -0.968 1.00 0.00 N ATOM 786 CA GLY A 57 9.473 -0.141 -0.795 1.00 0.00 C ATOM 787 C GLY A 57 9.970 -0.130 0.637 1.00 0.00 C ATOM 788 O GLY A 57 10.672 -1.046 1.066 1.00 0.00 O ATOM 0 H GLY A 57 8.254 1.289 -1.741 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.303 -1.171 -1.109 1.00 0.00 H new ATOM 0 HA3 GLY A 57 10.245 0.268 -1.447 1.00 0.00 H new ATOM 792 N ILE A 58 9.585 0.897 1.378 1.00 0.00 N ATOM 793 CA ILE A 58 9.964 1.028 2.768 1.00 0.00 C ATOM 794 C ILE A 58 8.838 1.718 3.529 1.00 0.00 C ATOM 795 O ILE A 58 9.027 2.789 4.105 1.00 0.00 O ATOM 796 CB ILE A 58 11.271 1.838 2.943 1.00 0.00 C ATOM 797 CG1 ILE A 58 12.399 1.252 2.084 1.00 0.00 C ATOM 798 CG2 ILE A 58 11.681 1.882 4.410 1.00 0.00 C ATOM 799 CD1 ILE A 58 12.277 1.581 0.612 1.00 0.00 C ATOM 0 H ILE A 58 9.003 1.659 1.030 1.00 0.00 H new ATOM 0 HA ILE A 58 10.141 0.027 3.162 1.00 0.00 H new ATOM 0 HB ILE A 58 11.085 2.858 2.606 1.00 0.00 H new ATOM 0 HG12 ILE A 58 13.355 1.624 2.452 1.00 0.00 H new ATOM 0 HG13 ILE A 58 12.411 0.169 2.205 1.00 0.00 H new ATOM 0 HG21 ILE A 58 12.602 2.456 4.513 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.892 2.355 4.994 1.00 0.00 H new ATOM 0 HG23 ILE A 58 11.843 0.867 4.773 1.00 0.00 H new ATOM 0 HD11 ILE A 58 13.109 1.133 0.069 1.00 0.00 H new ATOM 0 HD12 ILE A 58 11.337 1.185 0.227 1.00 0.00 H new ATOM 0 HD13 ILE A 58 12.296 2.663 0.478 1.00 0.00 H new ATOM 811 N ALA A 59 7.650 1.113 3.501 1.00 0.00 N ATOM 812 CA ALA A 59 6.499 1.713 4.171 1.00 0.00 C ATOM 813 C ALA A 59 5.495 0.689 4.699 1.00 0.00 C ATOM 814 O ALA A 59 4.827 -0.001 3.932 1.00 0.00 O ATOM 815 CB ALA A 59 5.798 2.681 3.227 1.00 0.00 C ATOM 0 H ALA A 59 7.462 0.227 3.032 1.00 0.00 H new ATOM 0 HA ALA A 59 6.890 2.241 5.041 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.940 3.125 3.732 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.492 3.467 2.931 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.459 2.144 2.341 1.00 0.00 H new ATOM 821 N VAL A 60 5.356 0.632 6.021 1.00 0.00 N ATOM 822 CA VAL A 60 4.396 -0.272 6.646 1.00 0.00 C ATOM 823 C VAL A 60 3.010 0.362 6.645 1.00 0.00 C ATOM 824 O VAL A 60 2.855 1.522 7.026 1.00 0.00 O ATOM 825 CB VAL A 60 4.789 -0.619 8.097 1.00 0.00 C ATOM 826 CG1 VAL A 60 4.872 0.640 8.947 1.00 0.00 C ATOM 827 CG2 VAL A 60 3.799 -1.612 8.695 1.00 0.00 C ATOM 0 H VAL A 60 5.893 1.199 6.677 1.00 0.00 H new ATOM 0 HA VAL A 60 4.392 -1.194 6.064 1.00 0.00 H new ATOM 0 HB VAL A 60 5.775 -1.084 8.085 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.150 0.373 9.966 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.622 1.312 8.530 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.903 1.139 8.954 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.091 -1.846 9.719 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.800 -1.176 8.694 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.796 -2.526 8.101 1.00 0.00 H new ATOM 837 N PHE A 61 2.006 -0.390 6.213 1.00 0.00 N ATOM 838 CA PHE A 61 0.649 0.132 6.170 1.00 0.00 C ATOM 839 C PHE A 61 -0.390 -0.973 6.284 1.00 0.00 C ATOM 840 O PHE A 61 -0.149 -2.118 5.900 1.00 0.00 O ATOM 841 CB PHE A 61 0.434 0.955 4.895 1.00 0.00 C ATOM 842 CG PHE A 61 0.976 0.318 3.646 1.00 0.00 C ATOM 843 CD1 PHE A 61 0.537 -0.928 3.230 1.00 0.00 C ATOM 844 CD2 PHE A 61 1.922 0.980 2.880 1.00 0.00 C ATOM 845 CE1 PHE A 61 1.036 -1.503 2.075 1.00 0.00 C ATOM 846 CE2 PHE A 61 2.423 0.411 1.725 1.00 0.00 C ATOM 847 CZ PHE A 61 1.979 -0.831 1.322 1.00 0.00 C ATOM 0 H PHE A 61 2.105 -1.353 5.891 1.00 0.00 H new ATOM 0 HA PHE A 61 0.519 0.784 7.034 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.634 1.129 4.765 1.00 0.00 H new ATOM 0 HB3 PHE A 61 0.903 1.931 5.024 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.203 -1.456 3.813 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.272 1.953 3.190 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.689 -2.477 1.762 1.00 0.00 H new ATOM 0 HE2 PHE A 61 3.161 0.938 1.139 1.00 0.00 H new ATOM 0 HZ PHE A 61 2.368 -1.278 0.419 1.00 0.00 H new ATOM 857 N HIS A 62 -1.547 -0.615 6.828 1.00 0.00 N ATOM 858 CA HIS A 62 -2.640 -1.557 7.016 1.00 0.00 C ATOM 859 C HIS A 62 -3.834 -1.169 6.149 1.00 0.00 C ATOM 860 O HIS A 62 -4.169 0.010 6.039 1.00 0.00 O ATOM 861 CB HIS A 62 -3.055 -1.575 8.490 1.00 0.00 C ATOM 862 CG HIS A 62 -1.914 -1.776 9.436 1.00 0.00 C ATOM 863 ND1 HIS A 62 -1.150 -2.923 9.467 1.00 0.00 N ATOM 864 CD2 HIS A 62 -1.402 -0.960 10.389 1.00 0.00 C ATOM 865 CE1 HIS A 62 -0.219 -2.804 10.398 1.00 0.00 C ATOM 866 NE2 HIS A 62 -0.351 -1.623 10.972 1.00 0.00 N ATOM 0 H HIS A 62 -1.752 0.331 7.149 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.302 -2.550 6.720 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -3.552 -0.635 8.729 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.785 -2.370 8.642 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.755 0.029 10.643 1.00 0.00 H new ATOM 0 HE1 HIS A 62 0.524 -3.547 10.647 1.00 0.00 H new ATOM 0 HE2 HIS A 62 0.233 -1.262 11.726 1.00 0.00 H new ATOM 875 N PHE A 63 -4.480 -2.158 5.540 1.00 0.00 N ATOM 876 CA PHE A 63 -5.638 -1.893 4.696 1.00 0.00 C ATOM 877 C PHE A 63 -6.932 -2.116 5.468 1.00 0.00 C ATOM 878 O PHE A 63 -7.206 -3.220 5.936 1.00 0.00 O ATOM 879 CB PHE A 63 -5.627 -2.777 3.445 1.00 0.00 C ATOM 880 CG PHE A 63 -4.445 -2.546 2.547 1.00 0.00 C ATOM 881 CD1 PHE A 63 -3.156 -2.749 3.008 1.00 0.00 C ATOM 882 CD2 PHE A 63 -4.627 -2.125 1.239 1.00 0.00 C ATOM 883 CE1 PHE A 63 -2.070 -2.538 2.183 1.00 0.00 C ATOM 884 CE2 PHE A 63 -3.545 -1.911 0.408 1.00 0.00 C ATOM 885 CZ PHE A 63 -2.264 -2.120 0.881 1.00 0.00 C ATOM 0 H PHE A 63 -4.224 -3.142 5.614 1.00 0.00 H new ATOM 0 HA PHE A 63 -5.583 -0.850 4.386 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.639 -3.823 3.751 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.541 -2.600 2.879 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -2.998 -3.076 4.025 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.627 -1.962 0.865 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -1.069 -2.700 2.555 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.700 -1.581 -0.609 1.00 0.00 H new ATOM 0 HZ PHE A 63 -1.415 -1.957 0.233 1.00 0.00 H new ATOM 895 N ARG A 64 -7.723 -1.058 5.599 1.00 0.00 N ATOM 896 CA ARG A 64 -8.988 -1.137 6.316 1.00 0.00 C ATOM 897 C ARG A 64 -10.150 -1.289 5.338 1.00 0.00 C ATOM 898 O ARG A 64 -10.330 -0.462 4.443 1.00 0.00 O ATOM 899 CB ARG A 64 -9.195 0.115 7.169 1.00 0.00 C ATOM 900 CG ARG A 64 -8.031 0.427 8.095 1.00 0.00 C ATOM 901 CD ARG A 64 -7.767 -0.708 9.071 1.00 0.00 C ATOM 902 NE ARG A 64 -6.681 -0.390 9.996 1.00 0.00 N ATOM 903 CZ ARG A 64 -6.748 0.562 10.924 1.00 0.00 C ATOM 904 NH1 ARG A 64 -7.865 1.261 11.089 1.00 0.00 N ATOM 905 NH2 ARG A 64 -5.702 0.805 11.700 1.00 0.00 N ATOM 0 H ARG A 64 -7.510 -0.136 5.218 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.956 -2.011 6.966 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -9.362 0.968 6.511 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -10.099 -0.009 7.766 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.135 0.613 7.503 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.242 1.341 8.649 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.675 -0.919 9.636 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.518 -1.613 8.517 1.00 0.00 H new ATOM 0 HE ARG A 64 -5.819 -0.931 9.926 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.678 1.070 10.503 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.910 1.989 11.802 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -4.846 0.263 11.586 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -5.753 1.534 12.411 1.00 0.00 H new ATOM 919 N THR A 65 -10.937 -2.345 5.512 1.00 0.00 N ATOM 920 CA THR A 65 -12.080 -2.593 4.640 1.00 0.00 C ATOM 921 C THR A 65 -13.375 -2.130 5.304 1.00 0.00 C ATOM 922 O THR A 65 -13.667 -2.513 6.440 1.00 0.00 O ATOM 923 CB THR A 65 -12.178 -4.079 4.297 1.00 0.00 C ATOM 924 OG1 THR A 65 -10.977 -4.538 3.703 1.00 0.00 O ATOM 925 CG2 THR A 65 -13.312 -4.399 3.346 1.00 0.00 C ATOM 0 H THR A 65 -10.806 -3.041 6.246 1.00 0.00 H new ATOM 0 HA THR A 65 -11.934 -2.025 3.721 1.00 0.00 H new ATOM 0 HB THR A 65 -12.366 -4.582 5.245 1.00 0.00 H new ATOM 0 HG1 THR A 65 -11.188 -5.181 2.994 1.00 0.00 H new ATOM 0 HG21 THR A 65 -13.326 -5.470 3.144 1.00 0.00 H new ATOM 0 HG22 THR A 65 -14.259 -4.103 3.796 1.00 0.00 H new ATOM 0 HG23 THR A 65 -13.168 -3.855 2.412 1.00 0.00 H new ATOM 933 N PRO A 66 -14.173 -1.300 4.602 1.00 0.00 N ATOM 934 CA PRO A 66 -15.443 -0.786 5.129 1.00 0.00 C ATOM 935 C PRO A 66 -16.301 -1.883 5.751 1.00 0.00 C ATOM 936 O PRO A 66 -17.055 -1.635 6.692 1.00 0.00 O ATOM 937 CB PRO A 66 -16.128 -0.208 3.891 1.00 0.00 C ATOM 938 CG PRO A 66 -15.006 0.196 2.999 1.00 0.00 C ATOM 939 CD PRO A 66 -13.903 -0.799 3.239 1.00 0.00 C ATOM 0 HA PRO A 66 -15.290 -0.060 5.928 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -16.770 -0.947 3.411 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -16.758 0.644 4.147 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -15.317 0.189 1.954 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -14.673 1.209 3.226 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -13.924 -1.605 2.505 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -12.921 -0.332 3.172 1.00 0.00 H new ATOM 947 N GLN A 67 -16.177 -3.095 5.224 1.00 0.00 N ATOM 948 CA GLN A 67 -16.936 -4.230 5.734 1.00 0.00 C ATOM 949 C GLN A 67 -16.576 -4.516 7.190 1.00 0.00 C ATOM 950 O GLN A 67 -17.302 -5.221 7.891 1.00 0.00 O ATOM 951 CB GLN A 67 -16.676 -5.472 4.879 1.00 0.00 C ATOM 952 CG GLN A 67 -17.444 -6.702 5.341 1.00 0.00 C ATOM 953 CD GLN A 67 -17.188 -7.939 4.489 1.00 0.00 C ATOM 954 OE1 GLN A 67 -17.745 -9.004 4.752 1.00 0.00 O ATOM 955 NE2 GLN A 67 -16.345 -7.813 3.464 1.00 0.00 N ATOM 0 H GLN A 67 -15.558 -3.317 4.444 1.00 0.00 H new ATOM 0 HA GLN A 67 -17.995 -3.978 5.683 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -16.944 -5.254 3.845 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -15.609 -5.694 4.891 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -17.174 -6.921 6.374 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -18.511 -6.479 5.330 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -15.901 -6.914 3.276 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -16.144 -8.616 2.868 1.00 0.00 H new ATOM 964 N GLY A 68 -15.451 -3.965 7.640 1.00 0.00 N ATOM 965 CA GLY A 68 -15.016 -4.174 9.006 1.00 0.00 C ATOM 966 C GLY A 68 -13.889 -5.180 9.106 1.00 0.00 C ATOM 967 O GLY A 68 -13.896 -6.045 9.981 1.00 0.00 O ATOM 0 H GLY A 68 -14.834 -3.377 7.080 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -14.690 -3.224 9.430 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -15.860 -4.517 9.605 1.00 0.00 H new ATOM 971 N GLU A 69 -12.914 -5.067 8.207 1.00 0.00 N ATOM 972 CA GLU A 69 -11.773 -5.979 8.205 1.00 0.00 C ATOM 973 C GLU A 69 -10.471 -5.224 8.442 1.00 0.00 C ATOM 974 O GLU A 69 -10.366 -4.035 8.138 1.00 0.00 O ATOM 975 CB GLU A 69 -11.698 -6.745 6.882 1.00 0.00 C ATOM 976 CG GLU A 69 -12.969 -7.508 6.544 1.00 0.00 C ATOM 977 CD GLU A 69 -13.316 -8.557 7.583 1.00 0.00 C ATOM 978 OE1 GLU A 69 -13.535 -8.184 8.754 1.00 0.00 O ATOM 979 OE2 GLU A 69 -13.369 -9.753 7.224 1.00 0.00 O ATOM 0 H GLU A 69 -12.891 -4.357 7.475 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.914 -6.691 9.018 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.482 -6.042 6.077 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.865 -7.446 6.925 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.797 -6.805 6.453 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.852 -7.989 5.573 1.00 0.00 H new ATOM 986 N LEU A 70 -9.480 -5.923 8.989 1.00 0.00 N ATOM 987 CA LEU A 70 -8.183 -5.322 9.272 1.00 0.00 C ATOM 988 C LEU A 70 -7.064 -6.109 8.595 1.00 0.00 C ATOM 989 O LEU A 70 -6.761 -7.235 8.988 1.00 0.00 O ATOM 990 CB LEU A 70 -7.949 -5.264 10.786 1.00 0.00 C ATOM 991 CG LEU A 70 -6.670 -4.550 11.236 1.00 0.00 C ATOM 992 CD1 LEU A 70 -5.434 -5.343 10.834 1.00 0.00 C ATOM 993 CD2 LEU A 70 -6.615 -3.147 10.653 1.00 0.00 C ATOM 0 H LEU A 70 -9.552 -6.908 9.245 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.178 -4.308 8.873 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.802 -4.767 11.248 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -7.928 -6.284 11.171 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.685 -4.476 12.323 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.540 -4.815 11.165 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.467 -6.328 11.299 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.410 -5.454 9.750 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.701 -2.652 10.981 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.626 -3.205 9.565 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.479 -2.577 10.995 1.00 0.00 H new ATOM 1005 N VAL A 71 -6.454 -5.508 7.578 1.00 0.00 N ATOM 1006 CA VAL A 71 -5.366 -6.158 6.852 1.00 0.00 C ATOM 1007 C VAL A 71 -4.038 -5.454 7.120 1.00 0.00 C ATOM 1008 O VAL A 71 -4.013 -4.286 7.511 1.00 0.00 O ATOM 1009 CB VAL A 71 -5.635 -6.178 5.336 1.00 0.00 C ATOM 1010 CG1 VAL A 71 -4.518 -6.900 4.598 1.00 0.00 C ATOM 1011 CG2 VAL A 71 -6.982 -6.821 5.042 1.00 0.00 C ATOM 0 H VAL A 71 -6.692 -4.576 7.238 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.309 -7.186 7.211 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.662 -5.148 4.980 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.730 -6.901 3.529 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.572 -6.389 4.780 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.450 -7.927 4.956 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -7.155 -6.827 3.966 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.986 -7.845 5.415 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -7.772 -6.253 5.534 1.00 0.00 H new ATOM 1021 N GLU A 72 -2.936 -6.172 6.919 1.00 0.00 N ATOM 1022 CA GLU A 72 -1.608 -5.613 7.151 1.00 0.00 C ATOM 1023 C GLU A 72 -0.663 -5.903 5.988 1.00 0.00 C ATOM 1024 O GLU A 72 -0.733 -6.960 5.362 1.00 0.00 O ATOM 1025 CB GLU A 72 -1.023 -6.180 8.449 1.00 0.00 C ATOM 1026 CG GLU A 72 0.401 -5.727 8.734 1.00 0.00 C ATOM 1027 CD GLU A 72 0.967 -6.348 9.996 1.00 0.00 C ATOM 1028 OE1 GLU A 72 1.048 -7.593 10.060 1.00 0.00 O ATOM 1029 OE2 GLU A 72 1.334 -5.591 10.919 1.00 0.00 O ATOM 0 H GLU A 72 -2.937 -7.140 6.597 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.712 -4.531 7.236 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.661 -5.886 9.282 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.044 -7.269 8.400 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.038 -5.987 7.888 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.422 -4.641 8.827 1.00 0.00 H new ATOM 1036 N ILE A 73 0.231 -4.953 5.717 1.00 0.00 N ATOM 1037 CA ILE A 73 1.208 -5.091 4.646 1.00 0.00 C ATOM 1038 C ILE A 73 2.489 -4.350 5.014 1.00 0.00 C ATOM 1039 O ILE A 73 2.471 -3.139 5.237 1.00 0.00 O ATOM 1040 CB ILE A 73 0.669 -4.542 3.309 1.00 0.00 C ATOM 1041 CG1 ILE A 73 -0.627 -5.254 2.917 1.00 0.00 C ATOM 1042 CG2 ILE A 73 1.711 -4.696 2.208 1.00 0.00 C ATOM 1043 CD1 ILE A 73 -0.450 -6.737 2.648 1.00 0.00 C ATOM 0 H ILE A 73 0.296 -4.074 6.231 1.00 0.00 H new ATOM 0 HA ILE A 73 1.413 -6.154 4.521 1.00 0.00 H new ATOM 0 HB ILE A 73 0.455 -3.481 3.438 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.359 -5.123 3.714 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.037 -4.778 2.026 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.313 -4.303 1.273 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.611 -4.144 2.479 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.956 -5.751 2.084 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.411 -7.175 2.376 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.257 -6.877 1.830 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.069 -7.226 3.544 1.00 0.00 H new ATOM 1055 N ASP A 74 3.593 -5.081 5.100 1.00 0.00 N ATOM 1056 CA ASP A 74 4.869 -4.480 5.467 1.00 0.00 C ATOM 1057 C ASP A 74 5.639 -3.979 4.250 1.00 0.00 C ATOM 1058 O ASP A 74 6.314 -4.745 3.565 1.00 0.00 O ATOM 1059 CB ASP A 74 5.723 -5.481 6.247 1.00 0.00 C ATOM 1060 CG ASP A 74 5.078 -5.894 7.555 1.00 0.00 C ATOM 1061 OD1 ASP A 74 4.829 -5.010 8.400 1.00 0.00 O ATOM 1062 OD2 ASP A 74 4.825 -7.104 7.737 1.00 0.00 O ATOM 0 H ASP A 74 3.631 -6.085 4.922 1.00 0.00 H new ATOM 0 HA ASP A 74 4.650 -3.618 6.097 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.893 -6.366 5.633 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.700 -5.041 6.449 1.00 0.00 H new ATOM 1067 N GLY A 75 5.555 -2.677 4.014 1.00 0.00 N ATOM 1068 CA GLY A 75 6.263 -2.061 2.912 1.00 0.00 C ATOM 1069 C GLY A 75 7.762 -2.061 3.129 1.00 0.00 C ATOM 1070 O GLY A 75 8.520 -1.728 2.227 1.00 0.00 O ATOM 0 H GLY A 75 5.001 -2.030 4.575 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.030 -2.593 1.989 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.915 -1.036 2.786 1.00 0.00 H new ATOM 1074 N ARG A 76 8.186 -2.377 4.348 1.00 0.00 N ATOM 1075 CA ARG A 76 9.599 -2.376 4.693 1.00 0.00 C ATOM 1076 C ARG A 76 10.320 -3.610 4.160 1.00 0.00 C ATOM 1077 O ARG A 76 11.198 -3.511 3.304 1.00 0.00 O ATOM 1078 CB ARG A 76 9.765 -2.304 6.214 1.00 0.00 C ATOM 1079 CG ARG A 76 11.213 -2.335 6.679 1.00 0.00 C ATOM 1080 CD ARG A 76 11.945 -1.057 6.306 1.00 0.00 C ATOM 1081 NE ARG A 76 11.414 0.102 7.019 1.00 0.00 N ATOM 1082 CZ ARG A 76 11.520 0.276 8.335 1.00 0.00 C ATOM 1083 NH1 ARG A 76 12.175 -0.609 9.078 1.00 0.00 N ATOM 1084 NH2 ARG A 76 10.982 1.343 8.908 1.00 0.00 N ATOM 0 H ARG A 76 7.566 -2.638 5.115 1.00 0.00 H new ATOM 0 HA ARG A 76 10.048 -1.499 4.226 1.00 0.00 H new ATOM 0 HB2 ARG A 76 9.297 -1.389 6.578 1.00 0.00 H new ATOM 0 HB3 ARG A 76 9.230 -3.138 6.668 1.00 0.00 H new ATOM 0 HG2 ARG A 76 11.246 -2.472 7.760 1.00 0.00 H new ATOM 0 HG3 ARG A 76 11.721 -3.190 6.233 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.006 -1.167 6.531 1.00 0.00 H new ATOM 0 HD3 ARG A 76 11.863 -0.892 5.232 1.00 0.00 H new ATOM 0 HE ARG A 76 10.934 0.820 6.477 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.600 -1.427 8.641 1.00 0.00 H new ATOM 0 HH12 ARG A 76 12.253 -0.471 10.086 1.00 0.00 H new ATOM 0 HH21 ARG A 76 10.487 2.031 8.341 1.00 0.00 H new ATOM 0 HH22 ARG A 76 11.063 1.476 9.916 1.00 0.00 H new ATOM 1098 N ALA A 77 9.966 -4.762 4.705 1.00 0.00 N ATOM 1099 CA ALA A 77 10.599 -6.020 4.327 1.00 0.00 C ATOM 1100 C ALA A 77 9.779 -6.832 3.332 1.00 0.00 C ATOM 1101 O ALA A 77 10.277 -7.219 2.274 1.00 0.00 O ATOM 1102 CB ALA A 77 10.885 -6.851 5.569 1.00 0.00 C ATOM 0 H ALA A 77 9.240 -4.855 5.415 1.00 0.00 H new ATOM 0 HA ALA A 77 11.531 -5.763 3.825 1.00 0.00 H new ATOM 0 HB1 ALA A 77 11.358 -7.789 5.278 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.552 -6.298 6.231 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.950 -7.062 6.089 1.00 0.00 H new ATOM 1108 N LEU A 78 8.536 -7.105 3.685 1.00 0.00 N ATOM 1109 CA LEU A 78 7.649 -7.899 2.835 1.00 0.00 C ATOM 1110 C LEU A 78 7.641 -7.394 1.395 1.00 0.00 C ATOM 1111 O LEU A 78 7.331 -8.143 0.469 1.00 0.00 O ATOM 1112 CB LEU A 78 6.225 -7.909 3.394 1.00 0.00 C ATOM 1113 CG LEU A 78 6.062 -8.644 4.729 1.00 0.00 C ATOM 1114 CD1 LEU A 78 4.608 -8.632 5.177 1.00 0.00 C ATOM 1115 CD2 LEU A 78 6.574 -10.073 4.615 1.00 0.00 C ATOM 0 H LEU A 78 8.111 -6.790 4.557 1.00 0.00 H new ATOM 0 HA LEU A 78 8.036 -8.918 2.832 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.892 -6.879 3.520 1.00 0.00 H new ATOM 0 HB3 LEU A 78 5.565 -8.370 2.659 1.00 0.00 H new ATOM 0 HG LEU A 78 6.654 -8.123 5.481 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.515 -9.159 6.127 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.274 -7.602 5.300 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.992 -9.126 4.426 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.451 -10.581 5.572 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.009 -10.602 3.848 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.630 -10.061 4.344 1.00 0.00 H new ATOM 1127 N VAL A 79 7.986 -6.129 1.213 1.00 0.00 N ATOM 1128 CA VAL A 79 8.020 -5.537 -0.119 1.00 0.00 C ATOM 1129 C VAL A 79 8.962 -6.312 -1.040 1.00 0.00 C ATOM 1130 O VAL A 79 10.181 -6.155 -0.975 1.00 0.00 O ATOM 1131 CB VAL A 79 8.462 -4.061 -0.068 1.00 0.00 C ATOM 1132 CG1 VAL A 79 9.862 -3.936 0.516 1.00 0.00 C ATOM 1133 CG2 VAL A 79 8.391 -3.432 -1.454 1.00 0.00 C ATOM 0 H VAL A 79 8.246 -5.493 1.967 1.00 0.00 H new ATOM 0 HA VAL A 79 7.006 -5.588 -0.516 1.00 0.00 H new ATOM 0 HB VAL A 79 7.777 -3.521 0.585 1.00 0.00 H new ATOM 0 HG11 VAL A 79 10.153 -2.886 0.542 1.00 0.00 H new ATOM 0 HG12 VAL A 79 9.871 -4.341 1.528 1.00 0.00 H new ATOM 0 HG13 VAL A 79 10.566 -4.492 -0.104 1.00 0.00 H new ATOM 0 HG21 VAL A 79 8.707 -2.390 -1.397 1.00 0.00 H new ATOM 0 HG22 VAL A 79 9.049 -3.974 -2.134 1.00 0.00 H new ATOM 0 HG23 VAL A 79 7.367 -3.481 -1.824 1.00 0.00 H new ATOM 1143 N ALA A 80 8.389 -7.148 -1.901 1.00 0.00 N ATOM 1144 CA ALA A 80 9.178 -7.944 -2.834 1.00 0.00 C ATOM 1145 C ALA A 80 10.054 -7.051 -3.706 1.00 0.00 C ATOM 1146 O ALA A 80 9.737 -5.883 -3.923 1.00 0.00 O ATOM 1147 CB ALA A 80 8.268 -8.802 -3.701 1.00 0.00 C ATOM 0 H ALA A 80 7.382 -7.291 -1.971 1.00 0.00 H new ATOM 0 HA ALA A 80 9.829 -8.599 -2.255 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.872 -9.390 -4.392 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.687 -9.472 -3.067 1.00 0.00 H new ATOM 0 HB3 ALA A 80 7.592 -8.160 -4.266 1.00 0.00 H new ATOM 1153 N ARG A 81 11.159 -7.602 -4.200 1.00 0.00 N ATOM 1154 CA ARG A 81 12.080 -6.836 -5.048 1.00 0.00 C ATOM 1155 C ARG A 81 12.146 -7.451 -6.437 1.00 0.00 C ATOM 1156 O ARG A 81 11.842 -8.626 -6.581 1.00 0.00 O ATOM 1157 CB ARG A 81 13.474 -6.800 -4.421 1.00 0.00 C ATOM 1158 CG ARG A 81 13.505 -6.155 -3.044 1.00 0.00 C ATOM 1159 CD ARG A 81 14.913 -6.147 -2.464 1.00 0.00 C ATOM 1160 NE ARG A 81 15.845 -5.386 -3.293 1.00 0.00 N ATOM 1161 CZ ARG A 81 15.771 -4.068 -3.476 1.00 0.00 C ATOM 1162 NH1 ARG A 81 14.841 -3.355 -2.854 1.00 0.00 N ATOM 1163 NH2 ARG A 81 16.641 -3.461 -4.272 1.00 0.00 N ATOM 0 H ARG A 81 11.441 -8.568 -4.032 1.00 0.00 H new ATOM 0 HA ARG A 81 11.709 -5.814 -5.132 1.00 0.00 H new ATOM 0 HB2 ARG A 81 13.856 -7.818 -4.345 1.00 0.00 H new ATOM 0 HB3 ARG A 81 14.147 -6.256 -5.083 1.00 0.00 H new ATOM 0 HG2 ARG A 81 13.132 -5.133 -3.111 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.837 -6.695 -2.373 1.00 0.00 H new ATOM 0 HD2 ARG A 81 14.889 -5.720 -1.461 1.00 0.00 H new ATOM 0 HD3 ARG A 81 15.270 -7.172 -2.366 1.00 0.00 H new ATOM 0 HE ARG A 81 16.597 -5.894 -3.759 1.00 0.00 H new ATOM 0 HH11 ARG A 81 14.177 -3.815 -2.231 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.790 -2.347 -2.998 1.00 0.00 H new ATOM 0 HH21 ARG A 81 17.365 -4.003 -4.743 1.00 0.00 H new ATOM 0 HH22 ARG A 81 16.586 -2.452 -4.413 1.00 0.00 H new ATOM 1177 N PRO A 82 12.555 -6.684 -7.491 1.00 0.00 N ATOM 1178 CA PRO A 82 12.679 -7.213 -8.861 1.00 0.00 C ATOM 1179 C PRO A 82 13.041 -8.695 -8.822 1.00 0.00 C ATOM 1180 O PRO A 82 12.535 -9.515 -9.585 1.00 0.00 O ATOM 1181 CB PRO A 82 13.811 -6.366 -9.427 1.00 0.00 C ATOM 1182 CG PRO A 82 13.655 -5.033 -8.757 1.00 0.00 C ATOM 1183 CD PRO A 82 12.967 -5.272 -7.427 1.00 0.00 C ATOM 0 HA PRO A 82 11.767 -7.156 -9.455 1.00 0.00 H new ATOM 0 HB2 PRO A 82 14.784 -6.808 -9.210 1.00 0.00 H new ATOM 0 HB3 PRO A 82 13.736 -6.277 -10.511 1.00 0.00 H new ATOM 0 HG2 PRO A 82 14.627 -4.563 -8.607 1.00 0.00 H new ATOM 0 HG3 PRO A 82 13.066 -4.358 -9.378 1.00 0.00 H new ATOM 0 HD2 PRO A 82 13.641 -5.090 -6.590 1.00 0.00 H new ATOM 0 HD3 PRO A 82 12.110 -4.611 -7.296 1.00 0.00 H new ATOM 1191 N GLU A 83 13.848 -9.002 -7.821 1.00 0.00 N ATOM 1192 CA GLU A 83 14.265 -10.348 -7.468 1.00 0.00 C ATOM 1193 C GLU A 83 13.065 -11.119 -6.913 1.00 0.00 C ATOM 1194 O GLU A 83 13.221 -12.001 -6.068 1.00 0.00 O ATOM 1195 CB GLU A 83 15.346 -10.290 -6.408 1.00 0.00 C ATOM 1196 CG GLU A 83 16.610 -9.575 -6.855 1.00 0.00 C ATOM 1197 CD GLU A 83 17.670 -9.530 -5.771 1.00 0.00 C ATOM 1198 OE1 GLU A 83 17.393 -8.960 -4.695 1.00 0.00 O ATOM 1199 OE2 GLU A 83 18.775 -10.067 -5.998 1.00 0.00 O ATOM 0 H GLU A 83 14.247 -8.291 -7.207 1.00 0.00 H new ATOM 0 HA GLU A 83 14.653 -10.848 -8.356 1.00 0.00 H new ATOM 0 HB2 GLU A 83 14.949 -9.788 -5.526 1.00 0.00 H new ATOM 0 HB3 GLU A 83 15.602 -11.306 -6.108 1.00 0.00 H new ATOM 0 HG2 GLU A 83 17.015 -10.077 -7.734 1.00 0.00 H new ATOM 0 HG3 GLU A 83 16.360 -8.558 -7.156 1.00 0.00 H new ATOM 1206 N GLU A 84 11.866 -10.681 -7.302 1.00 0.00 N ATOM 1207 CA GLU A 84 10.599 -11.201 -6.777 1.00 0.00 C ATOM 1208 C GLU A 84 10.621 -12.703 -6.567 1.00 0.00 C ATOM 1209 O GLU A 84 9.835 -13.215 -5.771 1.00 0.00 O ATOM 1210 CB GLU A 84 9.451 -10.838 -7.721 1.00 0.00 C ATOM 1211 CG GLU A 84 9.256 -9.342 -7.899 1.00 0.00 C ATOM 1212 CD GLU A 84 8.117 -9.014 -8.845 1.00 0.00 C ATOM 1213 OE1 GLU A 84 8.189 -9.420 -10.023 1.00 0.00 O ATOM 1214 OE2 GLU A 84 7.154 -8.353 -8.406 1.00 0.00 O ATOM 0 H GLU A 84 11.745 -9.946 -7.999 1.00 0.00 H new ATOM 0 HA GLU A 84 10.450 -10.737 -5.802 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.637 -11.290 -8.695 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.527 -11.273 -7.339 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.061 -8.886 -6.928 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.178 -8.901 -8.279 1.00 0.00 H new ATOM 1221 N ARG A 85 11.571 -13.401 -7.169 1.00 0.00 N ATOM 1222 CA ARG A 85 11.714 -14.809 -6.882 1.00 0.00 C ATOM 1223 C ARG A 85 12.342 -14.853 -5.491 1.00 0.00 C ATOM 1224 O ARG A 85 13.511 -15.203 -5.326 1.00 0.00 O ATOM 1225 CB ARG A 85 12.613 -15.499 -7.913 1.00 0.00 C ATOM 1226 CG ARG A 85 12.103 -15.381 -9.340 1.00 0.00 C ATOM 1227 CD ARG A 85 13.036 -16.072 -10.322 1.00 0.00 C ATOM 1228 NE ARG A 85 12.569 -15.952 -11.703 1.00 0.00 N ATOM 1229 CZ ARG A 85 12.508 -14.802 -12.369 1.00 0.00 C ATOM 1230 NH1 ARG A 85 12.926 -13.674 -11.806 1.00 0.00 N ATOM 1231 NH2 ARG A 85 12.041 -14.780 -13.610 1.00 0.00 N ATOM 0 H ARG A 85 12.237 -13.023 -7.843 1.00 0.00 H new ATOM 0 HA ARG A 85 10.760 -15.335 -6.924 1.00 0.00 H new ATOM 0 HB2 ARG A 85 13.613 -15.069 -7.857 1.00 0.00 H new ATOM 0 HB3 ARG A 85 12.705 -16.554 -7.655 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.108 -15.821 -9.410 1.00 0.00 H new ATOM 0 HG3 ARG A 85 12.006 -14.329 -9.607 1.00 0.00 H new ATOM 0 HD2 ARG A 85 14.033 -15.641 -10.238 1.00 0.00 H new ATOM 0 HD3 ARG A 85 13.122 -17.126 -10.059 1.00 0.00 H new ATOM 0 HE ARG A 85 12.272 -16.801 -12.184 1.00 0.00 H new ATOM 0 HH11 ARG A 85 13.297 -13.685 -10.856 1.00 0.00 H new ATOM 0 HH12 ARG A 85 12.876 -12.797 -12.324 1.00 0.00 H new ATOM 0 HH21 ARG A 85 11.729 -15.644 -14.053 1.00 0.00 H new ATOM 0 HH22 ARG A 85 11.994 -13.899 -14.122 1.00 0.00 H new ATOM 1245 N ILE A 86 11.561 -14.400 -4.503 1.00 0.00 N ATOM 1246 CA ILE A 86 12.022 -14.281 -3.129 1.00 0.00 C ATOM 1247 C ILE A 86 12.535 -15.614 -2.593 1.00 0.00 C ATOM 1248 O ILE A 86 11.839 -16.629 -2.657 1.00 0.00 O ATOM 1249 CB ILE A 86 10.888 -13.781 -2.207 1.00 0.00 C ATOM 1250 CG1 ILE A 86 10.332 -12.451 -2.717 1.00 0.00 C ATOM 1251 CG2 ILE A 86 11.388 -13.631 -0.776 1.00 0.00 C ATOM 1252 CD1 ILE A 86 11.376 -11.361 -2.834 1.00 0.00 C ATOM 0 H ILE A 86 10.594 -14.108 -4.641 1.00 0.00 H new ATOM 0 HA ILE A 86 12.839 -13.559 -3.133 1.00 0.00 H new ATOM 0 HB ILE A 86 10.087 -14.520 -2.217 1.00 0.00 H new ATOM 0 HG12 ILE A 86 9.873 -12.609 -3.693 1.00 0.00 H new ATOM 0 HG13 ILE A 86 9.543 -12.115 -2.045 1.00 0.00 H new ATOM 0 HG21 ILE A 86 10.575 -13.278 -0.142 1.00 0.00 H new ATOM 0 HG22 ILE A 86 11.741 -14.596 -0.411 1.00 0.00 H new ATOM 0 HG23 ILE A 86 12.207 -12.912 -0.750 1.00 0.00 H new ATOM 0 HD11 ILE A 86 10.909 -10.447 -3.201 1.00 0.00 H new ATOM 0 HD12 ILE A 86 11.818 -11.174 -1.855 1.00 0.00 H new ATOM 0 HD13 ILE A 86 12.154 -11.676 -3.530 1.00 0.00 H new TER 1264 ILE A 86