USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 582 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 39 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 40 SER OG : rot -40:sc= -0.791! USER MOD Single : A 1 ASN : amide:sc= -0.0357 K(o=-0.036,f=-0.84) USER MOD Single : A 1 ASN N :NH3+ -135:sc= 0 (180deg=-0.011) USER MOD Single : A 8 TYR OH : rot -35:sc= 0.161 USER MOD Single : A 12 THR OG1 : rot 11:sc= -1.39! USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 105:sc= 0.7 USER MOD Single : A 34 ASN : amide:sc= -3.68! C(o=-3.7!,f=-7.6!) USER MOD Single : A 42 ASN : amide:sc= -4.99! C(o=-5!,f=-6.9!) USER MOD Single : A 43 HIS : no HD1:sc= -22! C(o=-22!,f=-23!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -1! C(o=-1!,f=-1.3!) USER MOD Single : A 54 SER OG : rot 180:sc= -0.502 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HE2:sc= 0.00297 X(o=0.003,f=-0.047) USER MOD Single : A 61 TYR OH : rot 180:sc= -0.0138 USER MOD Single : A 64 THR OG1 : rot -102:sc= 0.112 USER MOD Single : A 65 TYR OH : rot 180:sc= -0.897 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -49:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 11.828 8.407 -11.930 1.00 0.00 N ATOM 2 CA ASN A 1 11.496 7.356 -10.926 1.00 0.00 C ATOM 3 C ASN A 1 11.847 7.840 -9.517 1.00 0.00 C ATOM 4 O ASN A 1 13.006 7.934 -9.162 1.00 0.00 O ATOM 5 CB ASN A 1 12.361 6.154 -11.311 1.00 0.00 C ATOM 6 CG ASN A 1 11.750 5.456 -12.528 1.00 0.00 C ATOM 7 OD1 ASN A 1 10.548 5.298 -12.612 1.00 0.00 O ATOM 8 ND2 ASN A 1 12.532 5.028 -13.480 1.00 0.00 N ATOM 0 H1 ASN A 1 11.042 8.504 -12.604 1.00 0.00 H new ATOM 0 H2 ASN A 1 11.982 9.314 -11.445 1.00 0.00 H new ATOM 0 H3 ASN A 1 12.692 8.137 -12.442 1.00 0.00 H new ATOM 0 HA ASN A 1 10.434 7.110 -10.921 1.00 0.00 H new ATOM 0 HB2 ASN A 1 13.376 6.480 -11.537 1.00 0.00 H new ATOM 0 HB3 ASN A 1 12.429 5.458 -10.475 1.00 0.00 H new ATOM 0 HD21 ASN A 1 12.135 4.561 -14.295 1.00 0.00 H new ATOM 0 HD22 ASN A 1 13.541 5.161 -13.410 1.00 0.00 H new ATOM 17 N PRO A 2 10.826 8.131 -8.758 1.00 0.00 N ATOM 18 CA PRO A 2 11.020 8.613 -7.369 1.00 0.00 C ATOM 19 C PRO A 2 11.490 7.467 -6.466 1.00 0.00 C ATOM 20 O PRO A 2 11.337 6.307 -6.791 1.00 0.00 O ATOM 21 CB PRO A 2 9.630 9.095 -6.959 1.00 0.00 C ATOM 22 CG PRO A 2 8.685 8.330 -7.829 1.00 0.00 C ATOM 23 CD PRO A 2 9.407 8.041 -9.120 1.00 0.00 C ATOM 0 HA PRO A 2 11.777 9.393 -7.288 1.00 0.00 H new ATOM 0 HB2 PRO A 2 9.440 8.901 -5.903 1.00 0.00 H new ATOM 0 HB3 PRO A 2 9.524 10.169 -7.110 1.00 0.00 H new ATOM 0 HG2 PRO A 2 8.378 7.404 -7.343 1.00 0.00 H new ATOM 0 HG3 PRO A 2 7.779 8.907 -8.015 1.00 0.00 H new ATOM 0 HD2 PRO A 2 9.155 7.053 -9.506 1.00 0.00 H new ATOM 0 HD3 PRO A 2 9.146 8.762 -9.894 1.00 0.00 H new ATOM 31 N LEU A 3 12.060 7.786 -5.336 1.00 0.00 N ATOM 32 CA LEU A 3 12.540 6.716 -4.414 1.00 0.00 C ATOM 33 C LEU A 3 11.384 5.785 -4.035 1.00 0.00 C ATOM 34 O LEU A 3 10.346 5.779 -4.666 1.00 0.00 O ATOM 35 CB LEU A 3 13.056 7.459 -3.181 1.00 0.00 C ATOM 36 CG LEU A 3 14.574 7.302 -3.088 1.00 0.00 C ATOM 37 CD1 LEU A 3 15.242 8.661 -3.308 1.00 0.00 C ATOM 38 CD2 LEU A 3 14.946 6.771 -1.701 1.00 0.00 C ATOM 0 H LEU A 3 12.214 8.740 -5.011 1.00 0.00 H new ATOM 0 HA LEU A 3 13.311 6.094 -4.869 1.00 0.00 H new ATOM 0 HB2 LEU A 3 12.792 8.515 -3.243 1.00 0.00 H new ATOM 0 HB3 LEU A 3 12.583 7.065 -2.282 1.00 0.00 H new ATOM 0 HG LEU A 3 14.915 6.602 -3.851 1.00 0.00 H new ATOM 0 HD11 LEU A 3 16.324 8.549 -3.242 1.00 0.00 H new ATOM 0 HD12 LEU A 3 14.976 9.042 -4.294 1.00 0.00 H new ATOM 0 HD13 LEU A 3 14.902 9.361 -2.545 1.00 0.00 H new ATOM 0 HD21 LEU A 3 16.028 6.658 -1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 3 14.605 7.473 -0.939 1.00 0.00 H new ATOM 0 HD23 LEU A 3 14.470 5.804 -1.542 1.00 0.00 H new ATOM 50 N ILE A 4 11.558 4.996 -3.009 1.00 0.00 N ATOM 51 CA ILE A 4 10.470 4.066 -2.589 1.00 0.00 C ATOM 52 C ILE A 4 9.262 4.861 -2.086 1.00 0.00 C ATOM 53 O ILE A 4 9.404 5.953 -1.572 1.00 0.00 O ATOM 54 CB ILE A 4 11.093 3.216 -1.466 1.00 0.00 C ATOM 55 CG1 ILE A 4 11.539 1.874 -2.047 1.00 0.00 C ATOM 56 CG2 ILE A 4 10.075 2.962 -0.340 1.00 0.00 C ATOM 57 CD1 ILE A 4 11.963 0.944 -0.911 1.00 0.00 C ATOM 0 H ILE A 4 12.406 4.955 -2.444 1.00 0.00 H new ATOM 0 HA ILE A 4 10.107 3.444 -3.407 1.00 0.00 H new ATOM 0 HB ILE A 4 11.944 3.756 -1.051 1.00 0.00 H new ATOM 0 HG12 ILE A 4 10.726 1.423 -2.616 1.00 0.00 H new ATOM 0 HG13 ILE A 4 12.368 2.022 -2.739 1.00 0.00 H new ATOM 0 HG21 ILE A 4 10.539 2.360 0.441 1.00 0.00 H new ATOM 0 HG22 ILE A 4 9.752 3.914 0.080 1.00 0.00 H new ATOM 0 HG23 ILE A 4 9.212 2.432 -0.743 1.00 0.00 H new ATOM 0 HD11 ILE A 4 12.281 -0.013 -1.324 1.00 0.00 H new ATOM 0 HD12 ILE A 4 12.789 1.395 -0.361 1.00 0.00 H new ATOM 0 HD13 ILE A 4 11.121 0.786 -0.237 1.00 0.00 H new ATOM 69 N PRO A 5 8.111 4.269 -2.240 1.00 0.00 N ATOM 70 CA PRO A 5 6.862 4.913 -1.782 1.00 0.00 C ATOM 71 C PRO A 5 6.755 4.837 -0.258 1.00 0.00 C ATOM 72 O PRO A 5 7.455 4.084 0.391 1.00 0.00 O ATOM 73 CB PRO A 5 5.765 4.087 -2.442 1.00 0.00 C ATOM 74 CG PRO A 5 6.383 2.746 -2.693 1.00 0.00 C ATOM 75 CD PRO A 5 7.867 2.959 -2.855 1.00 0.00 C ATOM 0 HA PRO A 5 6.805 5.970 -2.042 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.891 4.004 -1.795 1.00 0.00 H new ATOM 0 HB3 PRO A 5 5.431 4.547 -3.372 1.00 0.00 H new ATOM 0 HG2 PRO A 5 6.180 2.068 -1.864 1.00 0.00 H new ATOM 0 HG3 PRO A 5 5.960 2.290 -3.588 1.00 0.00 H new ATOM 0 HD2 PRO A 5 8.439 2.174 -2.360 1.00 0.00 H new ATOM 0 HD3 PRO A 5 8.158 2.951 -3.905 1.00 0.00 H new ATOM 83 N ALA A 6 5.883 5.613 0.313 1.00 0.00 N ATOM 84 CA ALA A 6 5.718 5.600 1.791 1.00 0.00 C ATOM 85 C ALA A 6 4.759 4.482 2.210 1.00 0.00 C ATOM 86 O ALA A 6 4.784 4.018 3.333 1.00 0.00 O ATOM 87 CB ALA A 6 5.128 6.969 2.135 1.00 0.00 C ATOM 0 H ALA A 6 5.272 6.261 -0.183 1.00 0.00 H new ATOM 0 HA ALA A 6 6.660 5.419 2.309 1.00 0.00 H new ATOM 0 HB1 ALA A 6 4.976 7.039 3.212 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.815 7.752 1.814 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.173 7.092 1.625 1.00 0.00 H new ATOM 93 N ILE A 7 3.909 4.054 1.319 1.00 0.00 N ATOM 94 CA ILE A 7 2.941 2.971 1.669 1.00 0.00 C ATOM 95 C ILE A 7 3.683 1.695 2.086 1.00 0.00 C ATOM 96 O ILE A 7 3.271 0.991 2.986 1.00 0.00 O ATOM 97 CB ILE A 7 2.098 2.730 0.403 1.00 0.00 C ATOM 98 CG1 ILE A 7 1.453 1.343 0.466 1.00 0.00 C ATOM 99 CG2 ILE A 7 2.973 2.810 -0.851 1.00 0.00 C ATOM 100 CD1 ILE A 7 0.716 1.175 1.794 1.00 0.00 C ATOM 0 H ILE A 7 3.841 4.405 0.364 1.00 0.00 H new ATOM 0 HA ILE A 7 2.312 3.255 2.513 1.00 0.00 H new ATOM 0 HB ILE A 7 1.328 3.500 0.354 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.758 1.217 -0.364 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.216 0.572 0.363 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.359 2.637 -1.735 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.429 3.798 -0.914 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.755 2.052 -0.798 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.259 0.186 1.834 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.422 1.282 2.618 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.059 1.937 1.879 1.00 0.00 H new ATOM 112 N TYR A 8 4.769 1.387 1.440 1.00 0.00 N ATOM 113 CA TYR A 8 5.519 0.152 1.804 1.00 0.00 C ATOM 114 C TYR A 8 6.059 0.260 3.227 1.00 0.00 C ATOM 115 O TYR A 8 6.376 -0.728 3.858 1.00 0.00 O ATOM 116 CB TYR A 8 6.647 0.063 0.776 1.00 0.00 C ATOM 117 CG TYR A 8 6.066 -0.299 -0.577 1.00 0.00 C ATOM 118 CD1 TYR A 8 4.674 -0.365 -0.757 1.00 0.00 C ATOM 119 CD2 TYR A 8 6.918 -0.569 -1.653 1.00 0.00 C ATOM 120 CE1 TYR A 8 4.142 -0.698 -2.003 1.00 0.00 C ATOM 121 CE2 TYR A 8 6.382 -0.904 -2.903 1.00 0.00 C ATOM 122 CZ TYR A 8 4.995 -0.969 -3.079 1.00 0.00 C ATOM 123 OH TYR A 8 4.469 -1.298 -4.311 1.00 0.00 O ATOM 0 H TYR A 8 5.171 1.933 0.678 1.00 0.00 H new ATOM 0 HA TYR A 8 4.894 -0.741 1.787 1.00 0.00 H new ATOM 0 HB2 TYR A 8 7.175 1.015 0.715 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.376 -0.686 1.084 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.014 -0.157 0.072 1.00 0.00 H new ATOM 0 HD2 TYR A 8 7.989 -0.519 -1.520 1.00 0.00 H new ATOM 0 HE1 TYR A 8 3.071 -0.747 -2.137 1.00 0.00 H new ATOM 0 HE2 TYR A 8 7.041 -1.113 -3.733 1.00 0.00 H new ATOM 0 HH TYR A 8 3.649 -1.820 -4.188 1.00 0.00 H new ATOM 133 N ILE A 9 6.142 1.450 3.751 1.00 0.00 N ATOM 134 CA ILE A 9 6.634 1.607 5.146 1.00 0.00 C ATOM 135 C ILE A 9 5.490 1.317 6.112 1.00 0.00 C ATOM 136 O ILE A 9 4.430 1.907 6.031 1.00 0.00 O ATOM 137 CB ILE A 9 7.091 3.062 5.257 1.00 0.00 C ATOM 138 CG1 ILE A 9 8.120 3.358 4.162 1.00 0.00 C ATOM 139 CG2 ILE A 9 7.724 3.293 6.631 1.00 0.00 C ATOM 140 CD1 ILE A 9 8.823 4.684 4.462 1.00 0.00 C ATOM 0 H ILE A 9 5.892 2.317 3.276 1.00 0.00 H new ATOM 0 HA ILE A 9 7.448 0.924 5.387 1.00 0.00 H new ATOM 0 HB ILE A 9 6.233 3.724 5.137 1.00 0.00 H new ATOM 0 HG12 ILE A 9 8.851 2.551 4.108 1.00 0.00 H new ATOM 0 HG13 ILE A 9 7.628 3.407 3.191 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.050 4.330 6.712 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.991 3.082 7.409 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.582 2.632 6.752 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.555 4.893 3.682 1.00 0.00 H new ATOM 0 HD12 ILE A 9 8.087 5.487 4.493 1.00 0.00 H new ATOM 0 HD13 ILE A 9 9.329 4.618 5.425 1.00 0.00 H new ATOM 152 N GLY A 10 5.682 0.395 7.009 1.00 0.00 N ATOM 153 CA GLY A 10 4.591 0.050 7.956 1.00 0.00 C ATOM 154 C GLY A 10 3.478 -0.631 7.167 1.00 0.00 C ATOM 155 O GLY A 10 2.310 -0.507 7.479 1.00 0.00 O ATOM 0 H GLY A 10 6.546 -0.134 7.127 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.962 -0.611 8.740 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.215 0.947 8.447 1.00 0.00 H new ATOM 159 N ALA A 11 3.836 -1.345 6.131 1.00 0.00 N ATOM 160 CA ALA A 11 2.795 -2.030 5.302 1.00 0.00 C ATOM 161 C ALA A 11 3.010 -3.545 5.305 1.00 0.00 C ATOM 162 O ALA A 11 3.713 -4.080 6.141 1.00 0.00 O ATOM 163 CB ALA A 11 2.979 -1.464 3.894 1.00 0.00 C ATOM 0 H ALA A 11 4.798 -1.484 5.823 1.00 0.00 H new ATOM 0 HA ALA A 11 1.789 -1.859 5.686 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.250 -1.917 3.222 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.832 -0.384 3.914 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.986 -1.687 3.541 1.00 0.00 H new ATOM 169 N THR A 12 2.409 -4.246 4.376 1.00 0.00 N ATOM 170 CA THR A 12 2.584 -5.729 4.335 1.00 0.00 C ATOM 171 C THR A 12 2.346 -6.250 2.919 1.00 0.00 C ATOM 172 O THR A 12 1.227 -6.501 2.527 1.00 0.00 O ATOM 173 CB THR A 12 1.520 -6.287 5.281 1.00 0.00 C ATOM 174 OG1 THR A 12 1.899 -6.028 6.625 1.00 0.00 O ATOM 175 CG2 THR A 12 1.387 -7.796 5.063 1.00 0.00 C ATOM 0 H THR A 12 1.808 -3.858 3.649 1.00 0.00 H new ATOM 0 HA THR A 12 3.591 -6.027 4.627 1.00 0.00 H new ATOM 0 HB THR A 12 0.562 -5.807 5.078 1.00 0.00 H new ATOM 0 HG1 THR A 12 2.655 -5.404 6.637 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.629 -8.196 5.737 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.094 -7.990 4.031 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.343 -8.279 5.266 1.00 0.00 H new ATOM 183 N VAL A 13 3.384 -6.420 2.151 1.00 0.00 N ATOM 184 CA VAL A 13 3.202 -6.927 0.760 1.00 0.00 C ATOM 185 C VAL A 13 3.272 -8.455 0.739 1.00 0.00 C ATOM 186 O VAL A 13 3.607 -9.084 1.723 1.00 0.00 O ATOM 187 CB VAL A 13 4.363 -6.330 -0.039 1.00 0.00 C ATOM 188 CG1 VAL A 13 4.482 -4.832 0.251 1.00 0.00 C ATOM 189 CG2 VAL A 13 5.665 -7.029 0.361 1.00 0.00 C ATOM 0 H VAL A 13 4.349 -6.231 2.423 1.00 0.00 H new ATOM 0 HA VAL A 13 2.234 -6.646 0.345 1.00 0.00 H new ATOM 0 HB VAL A 13 4.177 -6.475 -1.103 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.311 -4.415 -0.322 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.556 -4.332 -0.034 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.664 -4.681 1.315 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.494 -6.606 -0.206 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.843 -6.884 1.427 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.586 -8.095 0.148 1.00 0.00 H new ATOM 199 N GLY A 14 2.962 -9.055 -0.377 1.00 0.00 N ATOM 200 CA GLY A 14 3.015 -10.541 -0.464 1.00 0.00 C ATOM 201 C GLY A 14 4.449 -10.980 -0.764 1.00 0.00 C ATOM 202 O GLY A 14 5.383 -10.228 -0.565 1.00 0.00 O ATOM 0 H GLY A 14 2.674 -8.580 -1.233 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.676 -10.984 0.472 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.343 -10.895 -1.246 1.00 0.00 H new ATOM 206 N PRO A 15 4.576 -12.189 -1.239 1.00 0.00 N ATOM 207 CA PRO A 15 5.911 -12.738 -1.573 1.00 0.00 C ATOM 208 C PRO A 15 6.439 -12.109 -2.867 1.00 0.00 C ATOM 209 O PRO A 15 7.586 -11.718 -2.955 1.00 0.00 O ATOM 210 CB PRO A 15 5.647 -14.229 -1.762 1.00 0.00 C ATOM 211 CG PRO A 15 4.200 -14.325 -2.132 1.00 0.00 C ATOM 212 CD PRO A 15 3.498 -13.147 -1.504 1.00 0.00 C ATOM 0 HA PRO A 15 6.662 -12.536 -0.809 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.282 -14.646 -2.544 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.858 -14.786 -0.849 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.079 -14.312 -3.215 1.00 0.00 H new ATOM 0 HG3 PRO A 15 3.773 -15.262 -1.775 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.747 -12.727 -2.173 1.00 0.00 H new ATOM 0 HD3 PRO A 15 2.983 -13.432 -0.586 1.00 0.00 H new ATOM 220 N SER A 16 5.611 -12.011 -3.871 1.00 0.00 N ATOM 221 CA SER A 16 6.066 -11.410 -5.157 1.00 0.00 C ATOM 222 C SER A 16 6.369 -9.921 -4.967 1.00 0.00 C ATOM 223 O SER A 16 7.455 -9.457 -5.257 1.00 0.00 O ATOM 224 CB SER A 16 4.894 -11.600 -6.119 1.00 0.00 C ATOM 225 OG SER A 16 4.796 -12.974 -6.472 1.00 0.00 O ATOM 0 H SER A 16 4.639 -12.321 -3.856 1.00 0.00 H new ATOM 0 HA SER A 16 6.979 -11.874 -5.530 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.967 -11.265 -5.653 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.039 -10.992 -7.012 1.00 0.00 H new ATOM 0 HG SER A 16 4.044 -13.101 -7.088 1.00 0.00 H new ATOM 231 N VAL A 17 5.420 -9.169 -4.480 1.00 0.00 N ATOM 232 CA VAL A 17 5.662 -7.713 -4.272 1.00 0.00 C ATOM 233 C VAL A 17 6.884 -7.516 -3.375 1.00 0.00 C ATOM 234 O VAL A 17 7.747 -6.709 -3.655 1.00 0.00 O ATOM 235 CB VAL A 17 4.399 -7.192 -3.587 1.00 0.00 C ATOM 236 CG1 VAL A 17 4.552 -5.697 -3.302 1.00 0.00 C ATOM 237 CG2 VAL A 17 3.195 -7.413 -4.505 1.00 0.00 C ATOM 0 H VAL A 17 4.491 -9.498 -4.218 1.00 0.00 H new ATOM 0 HA VAL A 17 5.859 -7.185 -5.205 1.00 0.00 H new ATOM 0 HB VAL A 17 4.247 -7.727 -2.650 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.651 -5.326 -2.813 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.411 -5.537 -2.650 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.703 -5.162 -4.239 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.293 -7.042 -4.018 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.348 -6.877 -5.442 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.085 -8.478 -4.710 1.00 0.00 H new ATOM 247 N TRP A 18 6.970 -8.256 -2.305 1.00 0.00 N ATOM 248 CA TRP A 18 8.146 -8.115 -1.402 1.00 0.00 C ATOM 249 C TRP A 18 9.431 -8.213 -2.220 1.00 0.00 C ATOM 250 O TRP A 18 10.206 -7.282 -2.296 1.00 0.00 O ATOM 251 CB TRP A 18 8.047 -9.289 -0.429 1.00 0.00 C ATOM 252 CG TRP A 18 9.206 -9.255 0.514 1.00 0.00 C ATOM 253 CD1 TRP A 18 10.458 -9.675 0.220 1.00 0.00 C ATOM 254 CD2 TRP A 18 9.246 -8.783 1.892 1.00 0.00 C ATOM 255 NE1 TRP A 18 11.263 -9.491 1.330 1.00 0.00 N ATOM 256 CE2 TRP A 18 10.562 -8.944 2.386 1.00 0.00 C ATOM 257 CE3 TRP A 18 8.277 -8.237 2.753 1.00 0.00 C ATOM 258 CZ2 TRP A 18 10.906 -8.576 3.687 1.00 0.00 C ATOM 259 CZ3 TRP A 18 8.619 -7.867 4.064 1.00 0.00 C ATOM 260 CH2 TRP A 18 9.931 -8.035 4.530 1.00 0.00 C ATOM 0 H TRP A 18 6.280 -8.950 -2.017 1.00 0.00 H new ATOM 0 HA TRP A 18 8.159 -7.158 -0.880 1.00 0.00 H new ATOM 0 HB2 TRP A 18 7.111 -9.236 0.127 1.00 0.00 H new ATOM 0 HB3 TRP A 18 8.039 -10.230 -0.978 1.00 0.00 H new ATOM 0 HD1 TRP A 18 10.777 -10.087 -0.726 1.00 0.00 H new ATOM 0 HE1 TRP A 18 12.254 -9.730 1.364 1.00 0.00 H new ATOM 0 HE3 TRP A 18 7.264 -8.101 2.404 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 11.918 -8.708 4.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 7.867 -7.450 4.717 1.00 0.00 H new ATOM 0 HH2 TRP A 18 10.188 -7.747 5.539 1.00 0.00 H new ATOM 271 N ALA A 19 9.659 -9.340 -2.834 1.00 0.00 N ATOM 272 CA ALA A 19 10.892 -9.510 -3.656 1.00 0.00 C ATOM 273 C ALA A 19 11.152 -8.249 -4.483 1.00 0.00 C ATOM 274 O ALA A 19 12.277 -7.825 -4.650 1.00 0.00 O ATOM 275 CB ALA A 19 10.599 -10.700 -4.569 1.00 0.00 C ATOM 0 H ALA A 19 9.044 -10.153 -2.803 1.00 0.00 H new ATOM 0 HA ALA A 19 11.778 -9.676 -3.043 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.462 -10.890 -5.208 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.396 -11.583 -3.962 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.730 -10.478 -5.189 1.00 0.00 H new ATOM 281 N TYR A 20 10.117 -7.646 -4.999 1.00 0.00 N ATOM 282 CA TYR A 20 10.306 -6.411 -5.812 1.00 0.00 C ATOM 283 C TYR A 20 10.890 -5.294 -4.944 1.00 0.00 C ATOM 284 O TYR A 20 11.962 -4.786 -5.205 1.00 0.00 O ATOM 285 CB TYR A 20 8.906 -6.033 -6.297 1.00 0.00 C ATOM 286 CG TYR A 20 9.012 -4.944 -7.338 1.00 0.00 C ATOM 287 CD1 TYR A 20 9.824 -5.129 -8.464 1.00 0.00 C ATOM 288 CD2 TYR A 20 8.300 -3.750 -7.176 1.00 0.00 C ATOM 289 CE1 TYR A 20 9.923 -4.119 -9.428 1.00 0.00 C ATOM 290 CE2 TYR A 20 8.399 -2.740 -8.141 1.00 0.00 C ATOM 291 CZ TYR A 20 9.211 -2.925 -9.267 1.00 0.00 C ATOM 292 OH TYR A 20 9.310 -1.929 -10.217 1.00 0.00 O ATOM 0 H TYR A 20 9.150 -7.954 -4.893 1.00 0.00 H new ATOM 0 HA TYR A 20 10.995 -6.566 -6.642 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.407 -6.906 -6.718 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.299 -5.692 -5.459 1.00 0.00 H new ATOM 0 HD1 TYR A 20 10.373 -6.050 -8.588 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.675 -3.608 -6.307 1.00 0.00 H new ATOM 0 HE1 TYR A 20 10.549 -4.261 -10.296 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.849 -1.819 -8.017 1.00 0.00 H new ATOM 0 HH TYR A 20 8.752 -1.168 -9.953 1.00 0.00 H new ATOM 302 N LEU A 21 10.192 -4.911 -3.911 1.00 0.00 N ATOM 303 CA LEU A 21 10.703 -3.829 -3.022 1.00 0.00 C ATOM 304 C LEU A 21 12.166 -4.097 -2.654 1.00 0.00 C ATOM 305 O LEU A 21 13.033 -3.272 -2.868 1.00 0.00 O ATOM 306 CB LEU A 21 9.813 -3.895 -1.781 1.00 0.00 C ATOM 307 CG LEU A 21 9.833 -2.546 -1.062 1.00 0.00 C ATOM 308 CD1 LEU A 21 9.100 -2.667 0.274 1.00 0.00 C ATOM 309 CD2 LEU A 21 11.283 -2.127 -0.811 1.00 0.00 C ATOM 0 H LEU A 21 9.288 -5.301 -3.643 1.00 0.00 H new ATOM 0 HA LEU A 21 10.672 -2.848 -3.496 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.793 -4.151 -2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.163 -4.680 -1.111 1.00 0.00 H new ATOM 0 HG LEU A 21 9.338 -1.797 -1.680 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.115 -1.705 0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.067 -2.968 0.097 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.594 -3.415 0.894 1.00 0.00 H new ATOM 0 HD21 LEU A 21 11.300 -1.165 -0.298 1.00 0.00 H new ATOM 0 HD22 LEU A 21 11.777 -2.877 -0.193 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.807 -2.040 -1.763 1.00 0.00 H new ATOM 321 N VAL A 22 12.448 -5.248 -2.105 1.00 0.00 N ATOM 322 CA VAL A 22 13.853 -5.571 -1.726 1.00 0.00 C ATOM 323 C VAL A 22 14.809 -5.160 -2.846 1.00 0.00 C ATOM 324 O VAL A 22 15.726 -4.389 -2.644 1.00 0.00 O ATOM 325 CB VAL A 22 13.871 -7.088 -1.533 1.00 0.00 C ATOM 326 CG1 VAL A 22 15.248 -7.522 -1.029 1.00 0.00 C ATOM 327 CG2 VAL A 22 12.806 -7.485 -0.509 1.00 0.00 C ATOM 0 H VAL A 22 11.765 -5.979 -1.903 1.00 0.00 H new ATOM 0 HA VAL A 22 14.172 -5.042 -0.828 1.00 0.00 H new ATOM 0 HB VAL A 22 13.661 -7.577 -2.484 1.00 0.00 H new ATOM 0 HG11 VAL A 22 15.261 -8.603 -0.891 1.00 0.00 H new ATOM 0 HG12 VAL A 22 16.008 -7.240 -1.758 1.00 0.00 H new ATOM 0 HG13 VAL A 22 15.458 -7.033 -0.078 1.00 0.00 H new ATOM 0 HG21 VAL A 22 12.819 -8.566 -0.371 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.015 -6.996 0.442 1.00 0.00 H new ATOM 0 HG23 VAL A 22 11.824 -7.176 -0.867 1.00 0.00 H new ATOM 337 N ALA A 23 14.598 -5.668 -4.025 1.00 0.00 N ATOM 338 CA ALA A 23 15.490 -5.309 -5.165 1.00 0.00 C ATOM 339 C ALA A 23 15.646 -3.789 -5.254 1.00 0.00 C ATOM 340 O ALA A 23 16.727 -3.277 -5.464 1.00 0.00 O ATOM 341 CB ALA A 23 14.783 -5.849 -6.408 1.00 0.00 C ATOM 0 H ALA A 23 13.845 -6.318 -4.252 1.00 0.00 H new ATOM 0 HA ALA A 23 16.491 -5.726 -5.053 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.379 -5.624 -7.292 1.00 0.00 H new ATOM 0 HB2 ALA A 23 14.662 -6.928 -6.318 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.803 -5.380 -6.502 1.00 0.00 H new ATOM 347 N LEU A 24 14.572 -3.064 -5.091 1.00 0.00 N ATOM 348 CA LEU A 24 14.657 -1.579 -5.162 1.00 0.00 C ATOM 349 C LEU A 24 15.733 -1.070 -4.200 1.00 0.00 C ATOM 350 O LEU A 24 16.516 -0.201 -4.530 1.00 0.00 O ATOM 351 CB LEU A 24 13.273 -1.093 -4.733 1.00 0.00 C ATOM 352 CG LEU A 24 12.985 0.269 -5.369 1.00 0.00 C ATOM 353 CD1 LEU A 24 13.164 0.174 -6.885 1.00 0.00 C ATOM 354 CD2 LEU A 24 11.546 0.683 -5.053 1.00 0.00 C ATOM 0 H LEU A 24 13.640 -3.437 -4.912 1.00 0.00 H new ATOM 0 HA LEU A 24 14.926 -1.219 -6.155 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.514 -1.814 -5.035 1.00 0.00 H new ATOM 0 HB3 LEU A 24 13.225 -1.016 -3.647 1.00 0.00 H new ATOM 0 HG LEU A 24 13.676 1.010 -4.967 1.00 0.00 H new ATOM 0 HD11 LEU A 24 12.959 1.144 -7.337 1.00 0.00 H new ATOM 0 HD12 LEU A 24 14.188 -0.123 -7.113 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.473 -0.567 -7.287 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.339 1.653 -5.505 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.857 -0.060 -5.456 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.416 0.751 -3.973 1.00 0.00 H new ATOM 366 N VAL A 25 15.780 -1.610 -3.013 1.00 0.00 N ATOM 367 CA VAL A 25 16.810 -1.165 -2.028 1.00 0.00 C ATOM 368 C VAL A 25 17.568 -2.381 -1.478 1.00 0.00 C ATOM 369 O VAL A 25 18.606 -2.756 -1.988 1.00 0.00 O ATOM 370 CB VAL A 25 16.032 -0.433 -0.916 1.00 0.00 C ATOM 371 CG1 VAL A 25 14.663 -1.085 -0.702 1.00 0.00 C ATOM 372 CG2 VAL A 25 16.821 -0.478 0.395 1.00 0.00 C ATOM 0 H VAL A 25 15.150 -2.340 -2.681 1.00 0.00 H new ATOM 0 HA VAL A 25 17.557 -0.509 -2.475 1.00 0.00 H new ATOM 0 HB VAL A 25 15.892 0.604 -1.223 1.00 0.00 H new ATOM 0 HG11 VAL A 25 14.127 -0.556 0.086 1.00 0.00 H new ATOM 0 HG12 VAL A 25 14.088 -1.037 -1.627 1.00 0.00 H new ATOM 0 HG13 VAL A 25 14.798 -2.127 -0.413 1.00 0.00 H new ATOM 0 HG21 VAL A 25 16.263 0.042 1.174 1.00 0.00 H new ATOM 0 HG22 VAL A 25 16.976 -1.516 0.691 1.00 0.00 H new ATOM 0 HG23 VAL A 25 17.787 0.008 0.255 1.00 0.00 H new ATOM 382 N GLY A 26 17.061 -3.001 -0.448 1.00 0.00 N ATOM 383 CA GLY A 26 17.757 -4.186 0.124 1.00 0.00 C ATOM 384 C GLY A 26 17.008 -4.664 1.369 1.00 0.00 C ATOM 385 O GLY A 26 16.164 -3.970 1.900 1.00 0.00 O ATOM 0 H GLY A 26 16.195 -2.738 0.022 1.00 0.00 H new ATOM 0 HA2 GLY A 26 17.804 -4.986 -0.615 1.00 0.00 H new ATOM 0 HA3 GLY A 26 18.785 -3.929 0.381 1.00 0.00 H new ATOM 389 N ALA A 27 17.307 -5.844 1.838 1.00 0.00 N ATOM 390 CA ALA A 27 16.607 -6.363 3.045 1.00 0.00 C ATOM 391 C ALA A 27 16.868 -5.452 4.248 1.00 0.00 C ATOM 392 O ALA A 27 16.136 -5.464 5.216 1.00 0.00 O ATOM 393 CB ALA A 27 17.203 -7.751 3.284 1.00 0.00 C ATOM 0 H ALA A 27 18.005 -6.470 1.437 1.00 0.00 H new ATOM 0 HA ALA A 27 15.526 -6.401 2.908 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.737 -8.201 4.160 1.00 0.00 H new ATOM 0 HB2 ALA A 27 17.021 -8.380 2.413 1.00 0.00 H new ATOM 0 HB3 ALA A 27 18.277 -7.662 3.450 1.00 0.00 H new ATOM 399 N ALA A 28 17.904 -4.658 4.197 1.00 0.00 N ATOM 400 CA ALA A 28 18.200 -3.754 5.339 1.00 0.00 C ATOM 401 C ALA A 28 17.172 -2.625 5.385 1.00 0.00 C ATOM 402 O ALA A 28 16.410 -2.506 6.324 1.00 0.00 O ATOM 403 CB ALA A 28 19.598 -3.202 5.063 1.00 0.00 C ATOM 0 H ALA A 28 18.555 -4.598 3.414 1.00 0.00 H new ATOM 0 HA ALA A 28 18.155 -4.268 6.299 1.00 0.00 H new ATOM 0 HB1 ALA A 28 19.887 -2.524 5.866 1.00 0.00 H new ATOM 0 HB2 ALA A 28 20.310 -4.025 5.010 1.00 0.00 H new ATOM 0 HB3 ALA A 28 19.596 -2.662 4.116 1.00 0.00 H new ATOM 409 N ALA A 29 17.135 -1.802 4.375 1.00 0.00 N ATOM 410 CA ALA A 29 16.141 -0.693 4.364 1.00 0.00 C ATOM 411 C ALA A 29 14.732 -1.282 4.304 1.00 0.00 C ATOM 412 O ALA A 29 13.760 -0.637 4.645 1.00 0.00 O ATOM 413 CB ALA A 29 16.444 0.109 3.100 1.00 0.00 C ATOM 0 H ALA A 29 17.747 -1.848 3.560 1.00 0.00 H new ATOM 0 HA ALA A 29 16.199 -0.067 5.254 1.00 0.00 H new ATOM 0 HB1 ALA A 29 15.749 0.945 3.024 1.00 0.00 H new ATOM 0 HB2 ALA A 29 17.465 0.488 3.146 1.00 0.00 H new ATOM 0 HB3 ALA A 29 16.335 -0.534 2.226 1.00 0.00 H new ATOM 419 N VAL A 30 14.619 -2.509 3.874 1.00 0.00 N ATOM 420 CA VAL A 30 13.280 -3.150 3.794 1.00 0.00 C ATOM 421 C VAL A 30 12.832 -3.596 5.188 1.00 0.00 C ATOM 422 O VAL A 30 11.661 -3.568 5.512 1.00 0.00 O ATOM 423 CB VAL A 30 13.473 -4.360 2.878 1.00 0.00 C ATOM 424 CG1 VAL A 30 12.276 -5.303 3.018 1.00 0.00 C ATOM 425 CG2 VAL A 30 13.580 -3.886 1.427 1.00 0.00 C ATOM 0 H VAL A 30 15.399 -3.095 3.575 1.00 0.00 H new ATOM 0 HA VAL A 30 12.516 -2.472 3.413 1.00 0.00 H new ATOM 0 HB VAL A 30 14.385 -4.887 3.159 1.00 0.00 H new ATOM 0 HG11 VAL A 30 12.414 -6.165 2.365 1.00 0.00 H new ATOM 0 HG12 VAL A 30 12.197 -5.640 4.052 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.364 -4.777 2.737 1.00 0.00 H new ATOM 0 HG21 VAL A 30 13.718 -4.747 0.772 1.00 0.00 H new ATOM 0 HG22 VAL A 30 12.667 -3.360 1.148 1.00 0.00 H new ATOM 0 HG23 VAL A 30 14.432 -3.213 1.326 1.00 0.00 H new ATOM 435 N THR A 31 13.758 -4.001 6.017 1.00 0.00 N ATOM 436 CA THR A 31 13.382 -4.441 7.390 1.00 0.00 C ATOM 437 C THR A 31 13.192 -3.222 8.296 1.00 0.00 C ATOM 438 O THR A 31 12.367 -3.220 9.188 1.00 0.00 O ATOM 439 CB THR A 31 14.557 -5.293 7.872 1.00 0.00 C ATOM 440 OG1 THR A 31 14.808 -6.326 6.931 1.00 0.00 O ATOM 441 CG2 THR A 31 14.220 -5.909 9.231 1.00 0.00 C ATOM 0 H THR A 31 14.754 -4.046 5.803 1.00 0.00 H new ATOM 0 HA THR A 31 12.446 -4.999 7.405 1.00 0.00 H new ATOM 0 HB THR A 31 15.444 -4.667 7.970 1.00 0.00 H new ATOM 0 HG1 THR A 31 15.613 -6.110 6.415 1.00 0.00 H new ATOM 0 HG21 THR A 31 15.058 -6.516 9.573 1.00 0.00 H new ATOM 0 HG22 THR A 31 14.028 -5.115 9.953 1.00 0.00 H new ATOM 0 HG23 THR A 31 13.333 -6.536 9.137 1.00 0.00 H new ATOM 449 N ALA A 32 13.948 -2.182 8.068 1.00 0.00 N ATOM 450 CA ALA A 32 13.809 -0.961 8.911 1.00 0.00 C ATOM 451 C ALA A 32 12.588 -0.157 8.463 1.00 0.00 C ATOM 452 O ALA A 32 12.023 0.610 9.218 1.00 0.00 O ATOM 453 CB ALA A 32 15.093 -0.166 8.671 1.00 0.00 C ATOM 0 H ALA A 32 14.655 -2.126 7.335 1.00 0.00 H new ATOM 0 HA ALA A 32 13.669 -1.196 9.966 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.068 0.752 9.259 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.953 -0.765 8.970 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.174 0.083 7.613 1.00 0.00 H new ATOM 459 N ALA A 33 12.172 -0.331 7.237 1.00 0.00 N ATOM 460 CA ALA A 33 10.984 0.419 6.739 1.00 0.00 C ATOM 461 C ALA A 33 9.696 -0.229 7.256 1.00 0.00 C ATOM 462 O ALA A 33 8.606 0.168 6.903 1.00 0.00 O ATOM 463 CB ALA A 33 11.062 0.318 5.215 1.00 0.00 C ATOM 0 H ALA A 33 12.604 -0.960 6.560 1.00 0.00 H new ATOM 0 HA ALA A 33 10.977 1.455 7.078 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.219 0.847 4.772 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.994 0.765 4.868 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.029 -0.730 4.918 1.00 0.00 H new ATOM 469 N ASN A 34 9.818 -1.224 8.093 1.00 0.00 N ATOM 470 CA ASN A 34 8.608 -1.901 8.641 1.00 0.00 C ATOM 471 C ASN A 34 7.775 -2.520 7.510 1.00 0.00 C ATOM 472 O ASN A 34 6.642 -2.143 7.270 1.00 0.00 O ATOM 473 CB ASN A 34 7.832 -0.799 9.359 1.00 0.00 C ATOM 474 CG ASN A 34 6.650 -1.411 10.113 1.00 0.00 C ATOM 475 OD1 ASN A 34 6.218 -2.504 9.802 1.00 0.00 O ATOM 476 ND2 ASN A 34 6.106 -0.749 11.096 1.00 0.00 N ATOM 0 H ASN A 34 10.708 -1.598 8.422 1.00 0.00 H new ATOM 0 HA ASN A 34 8.862 -2.720 9.314 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.487 -0.273 10.054 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.475 -0.063 8.638 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.317 -1.148 11.605 1.00 0.00 H new ATOM 0 HD22 ASN A 34 6.469 0.168 11.356 1.00 0.00 H new ATOM 483 N ILE A 35 8.332 -3.480 6.822 1.00 0.00 N ATOM 484 CA ILE A 35 7.584 -4.143 5.716 1.00 0.00 C ATOM 485 C ILE A 35 7.310 -5.602 6.088 1.00 0.00 C ATOM 486 O ILE A 35 8.204 -6.331 6.465 1.00 0.00 O ATOM 487 CB ILE A 35 8.509 -4.065 4.502 1.00 0.00 C ATOM 488 CG1 ILE A 35 8.624 -2.609 4.043 1.00 0.00 C ATOM 489 CG2 ILE A 35 7.932 -4.913 3.366 1.00 0.00 C ATOM 490 CD1 ILE A 35 9.899 -2.435 3.216 1.00 0.00 C ATOM 0 H ILE A 35 9.275 -3.834 6.979 1.00 0.00 H new ATOM 0 HA ILE A 35 6.623 -3.669 5.519 1.00 0.00 H new ATOM 0 HB ILE A 35 9.496 -4.441 4.771 1.00 0.00 H new ATOM 0 HG12 ILE A 35 7.752 -2.334 3.449 1.00 0.00 H new ATOM 0 HG13 ILE A 35 8.644 -1.945 4.907 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.591 -4.858 2.500 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.848 -5.950 3.692 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.945 -4.536 3.096 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.982 -1.399 2.889 1.00 0.00 H new ATOM 0 HD12 ILE A 35 10.766 -2.694 3.825 1.00 0.00 H new ATOM 0 HD13 ILE A 35 9.859 -3.089 2.345 1.00 0.00 H new ATOM 502 N ARG A 36 6.083 -6.031 5.992 1.00 0.00 N ATOM 503 CA ARG A 36 5.765 -7.442 6.351 1.00 0.00 C ATOM 504 C ARG A 36 5.404 -8.245 5.099 1.00 0.00 C ATOM 505 O ARG A 36 4.800 -7.737 4.173 1.00 0.00 O ATOM 506 CB ARG A 36 4.565 -7.353 7.294 1.00 0.00 C ATOM 507 CG ARG A 36 4.795 -6.236 8.315 1.00 0.00 C ATOM 508 CD ARG A 36 4.048 -6.565 9.609 1.00 0.00 C ATOM 509 NE ARG A 36 5.112 -6.944 10.580 1.00 0.00 N ATOM 510 CZ ARG A 36 5.110 -8.131 11.120 1.00 0.00 C ATOM 511 NH1 ARG A 36 3.995 -8.648 11.557 1.00 0.00 N ATOM 512 NH2 ARG A 36 6.224 -8.803 11.222 1.00 0.00 N ATOM 0 H ARG A 36 5.290 -5.470 5.682 1.00 0.00 H new ATOM 0 HA ARG A 36 6.613 -7.946 6.815 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.656 -7.157 6.725 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.421 -8.304 7.807 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.861 -6.126 8.516 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.447 -5.284 7.913 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.476 -5.708 9.964 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.340 -7.380 9.460 1.00 0.00 H new ATOM 0 HE ARG A 36 5.843 -6.275 10.823 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.124 -8.124 11.476 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.994 -9.577 11.979 1.00 0.00 H new ATOM 0 HH21 ARG A 36 7.096 -8.400 10.879 1.00 0.00 H new ATOM 0 HH22 ARG A 36 6.223 -9.731 11.644 1.00 0.00 H new ATOM 526 N ARG A 37 5.766 -9.499 5.069 1.00 0.00 N ATOM 527 CA ARG A 37 5.442 -10.343 3.884 1.00 0.00 C ATOM 528 C ARG A 37 4.084 -11.017 4.085 1.00 0.00 C ATOM 529 O ARG A 37 3.645 -11.228 5.198 1.00 0.00 O ATOM 530 CB ARG A 37 6.557 -11.388 3.825 1.00 0.00 C ATOM 531 CG ARG A 37 7.555 -11.011 2.729 1.00 0.00 C ATOM 532 CD ARG A 37 7.965 -12.267 1.958 1.00 0.00 C ATOM 533 NE ARG A 37 9.084 -12.854 2.745 1.00 0.00 N ATOM 534 CZ ARG A 37 8.918 -13.131 4.009 1.00 0.00 C ATOM 535 NH1 ARG A 37 8.140 -14.117 4.364 1.00 0.00 N ATOM 536 NH2 ARG A 37 9.527 -12.421 4.919 1.00 0.00 N ATOM 0 H ARG A 37 6.273 -9.976 5.815 1.00 0.00 H new ATOM 0 HA ARG A 37 5.381 -9.764 2.962 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.064 -11.448 4.788 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.136 -12.373 3.624 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.109 -10.284 2.050 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.433 -10.539 3.169 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.133 -12.966 1.872 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.281 -12.022 0.944 1.00 0.00 H new ATOM 0 HE ARG A 37 9.981 -13.040 2.296 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.662 -14.671 3.653 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.010 -14.334 5.352 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.133 -11.649 4.642 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.397 -12.638 5.907 1.00 0.00 H new ATOM 550 N ALA A 38 3.412 -11.356 3.021 1.00 0.00 N ATOM 551 CA ALA A 38 2.083 -12.013 3.162 1.00 0.00 C ATOM 552 C ALA A 38 2.026 -13.282 2.308 1.00 0.00 C ATOM 553 O ALA A 38 2.910 -13.551 1.518 1.00 0.00 O ATOM 554 CB ALA A 38 1.076 -10.978 2.661 1.00 0.00 C ATOM 0 H ALA A 38 3.725 -11.207 2.062 1.00 0.00 H new ATOM 0 HA ALA A 38 1.877 -12.316 4.189 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.068 -11.387 2.732 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.146 -10.077 3.271 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.295 -10.731 1.622 1.00 0.00 H new ATOM 560 N SER A 39 0.994 -14.067 2.462 1.00 0.00 N ATOM 561 CA SER A 39 0.883 -15.320 1.662 1.00 0.00 C ATOM 562 C SER A 39 0.893 -14.998 0.166 1.00 0.00 C ATOM 563 O SER A 39 1.395 -15.757 -0.640 1.00 0.00 O ATOM 564 CB SER A 39 -0.457 -15.930 2.069 1.00 0.00 C ATOM 565 OG SER A 39 -0.945 -16.742 1.009 1.00 0.00 O ATOM 0 H SER A 39 0.223 -13.895 3.107 1.00 0.00 H new ATOM 0 HA SER A 39 1.715 -16.001 1.844 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.338 -16.526 2.974 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.174 -15.142 2.298 1.00 0.00 H new ATOM 0 HG SER A 39 -1.804 -17.136 1.268 1.00 0.00 H new ATOM 571 N SER A 40 0.343 -13.878 -0.211 1.00 0.00 N ATOM 572 CA SER A 40 0.321 -13.507 -1.654 1.00 0.00 C ATOM 573 C SER A 40 0.100 -11.999 -1.812 1.00 0.00 C ATOM 574 O SER A 40 -0.049 -11.280 -0.845 1.00 0.00 O ATOM 575 CB SER A 40 -0.853 -14.285 -2.244 1.00 0.00 C ATOM 576 OG SER A 40 -0.894 -15.583 -1.666 1.00 0.00 O ATOM 0 H SER A 40 -0.093 -13.203 0.418 1.00 0.00 H new ATOM 0 HA SER A 40 1.260 -13.743 -2.155 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.787 -13.758 -2.050 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.748 -14.359 -3.326 1.00 0.00 H new ATOM 0 HG SER A 40 0.018 -15.929 -1.573 1.00 0.00 H new ATOM 582 N ASP A 41 0.078 -11.518 -3.025 1.00 0.00 N ATOM 583 CA ASP A 41 -0.135 -10.059 -3.244 1.00 0.00 C ATOM 584 C ASP A 41 -1.388 -9.591 -2.502 1.00 0.00 C ATOM 585 O ASP A 41 -1.459 -8.476 -2.024 1.00 0.00 O ATOM 586 CB ASP A 41 -0.319 -9.910 -4.754 1.00 0.00 C ATOM 587 CG ASP A 41 1.047 -9.939 -5.441 1.00 0.00 C ATOM 588 OD1 ASP A 41 2.025 -10.208 -4.761 1.00 0.00 O ATOM 589 OD2 ASP A 41 1.094 -9.694 -6.635 1.00 0.00 O ATOM 0 H ASP A 41 0.198 -12.072 -3.873 1.00 0.00 H new ATOM 0 HA ASP A 41 0.696 -9.459 -2.873 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.947 -10.715 -5.136 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.830 -8.974 -4.978 1.00 0.00 H new ATOM 594 N ASN A 42 -2.378 -10.435 -2.399 1.00 0.00 N ATOM 595 CA ASN A 42 -3.624 -10.038 -1.685 1.00 0.00 C ATOM 596 C ASN A 42 -3.446 -10.224 -0.176 1.00 0.00 C ATOM 597 O ASN A 42 -3.557 -11.318 0.342 1.00 0.00 O ATOM 598 CB ASN A 42 -4.704 -10.981 -2.218 1.00 0.00 C ATOM 599 CG ASN A 42 -6.003 -10.764 -1.442 1.00 0.00 C ATOM 600 OD1 ASN A 42 -5.990 -10.660 -0.231 1.00 0.00 O ATOM 601 ND2 ASN A 42 -7.133 -10.689 -2.091 1.00 0.00 N ATOM 0 H ASN A 42 -2.378 -11.382 -2.778 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.881 -8.992 -1.850 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -4.868 -10.799 -3.280 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.378 -12.016 -2.119 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.005 -10.543 -1.582 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.144 -10.776 -3.107 1.00 0.00 H new ATOM 608 N HIS A 43 -3.170 -9.164 0.535 1.00 0.00 N ATOM 609 CA HIS A 43 -2.984 -9.285 2.010 1.00 0.00 C ATOM 610 C HIS A 43 -3.707 -8.150 2.733 1.00 0.00 C ATOM 611 O HIS A 43 -4.279 -7.272 2.118 1.00 0.00 O ATOM 612 CB HIS A 43 -1.474 -9.186 2.246 1.00 0.00 C ATOM 613 CG HIS A 43 -0.865 -8.165 1.321 1.00 0.00 C ATOM 614 ND1 HIS A 43 -0.975 -6.799 1.542 1.00 0.00 N ATOM 615 CD2 HIS A 43 -0.128 -8.300 0.173 1.00 0.00 C ATOM 616 CE1 HIS A 43 -0.314 -6.173 0.546 1.00 0.00 C ATOM 617 NE2 HIS A 43 0.217 -7.044 -0.314 1.00 0.00 N ATOM 0 H HIS A 43 -3.065 -8.221 0.159 1.00 0.00 H new ATOM 0 HA HIS A 43 -3.393 -10.221 2.391 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.279 -8.910 3.282 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.009 -10.158 2.082 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.144 -9.240 -0.284 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.226 -5.100 0.456 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.761 -6.833 -1.151 1.00 0.00 H new ATOM 625 N SER A 44 -3.682 -8.160 4.035 1.00 0.00 N ATOM 626 CA SER A 44 -4.366 -7.080 4.798 1.00 0.00 C ATOM 627 C SER A 44 -3.543 -5.795 4.735 1.00 0.00 C ATOM 628 O SER A 44 -2.330 -5.821 4.789 1.00 0.00 O ATOM 629 CB SER A 44 -4.446 -7.593 6.235 1.00 0.00 C ATOM 630 OG SER A 44 -3.424 -6.982 7.010 1.00 0.00 O ATOM 0 H SER A 44 -3.218 -8.868 4.604 1.00 0.00 H new ATOM 0 HA SER A 44 -5.352 -6.851 4.395 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.424 -7.367 6.660 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.333 -8.677 6.253 1.00 0.00 H new ATOM 0 HG SER A 44 -3.474 -7.308 7.933 1.00 0.00 H new ATOM 636 N CYS A 45 -4.190 -4.668 4.625 1.00 0.00 N ATOM 637 CA CYS A 45 -3.430 -3.388 4.566 1.00 0.00 C ATOM 638 C CYS A 45 -4.023 -2.370 5.536 1.00 0.00 C ATOM 639 O CYS A 45 -4.997 -2.631 6.220 1.00 0.00 O ATOM 640 CB CYS A 45 -3.563 -2.896 3.126 1.00 0.00 C ATOM 641 SG CYS A 45 -5.309 -2.865 2.650 1.00 0.00 S ATOM 0 H CYS A 45 -5.205 -4.578 4.574 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.386 -3.526 4.849 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.133 -1.899 3.031 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -3.005 -3.549 2.455 1.00 0.00 H new ATOM 646 N ALA A 46 -3.435 -1.211 5.602 1.00 0.00 N ATOM 647 CA ALA A 46 -3.947 -0.171 6.537 1.00 0.00 C ATOM 648 C ALA A 46 -4.257 -0.817 7.888 1.00 0.00 C ATOM 649 O ALA A 46 -5.291 -0.580 8.481 1.00 0.00 O ATOM 650 CB ALA A 46 -5.225 0.358 5.884 1.00 0.00 C ATOM 0 H ALA A 46 -2.622 -0.937 5.050 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.229 0.630 6.714 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.663 1.131 6.515 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.987 0.779 4.907 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.937 -0.459 5.764 1.00 0.00 H new ATOM 656 N GLY A 47 -3.370 -1.646 8.370 1.00 0.00 N ATOM 657 CA GLY A 47 -3.615 -2.325 9.673 1.00 0.00 C ATOM 658 C GLY A 47 -4.787 -3.290 9.509 1.00 0.00 C ATOM 659 O GLY A 47 -5.094 -3.722 8.416 1.00 0.00 O ATOM 0 H GLY A 47 -2.487 -1.882 7.917 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.723 -2.864 9.992 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.836 -1.590 10.447 1.00 0.00 H new ATOM 663 N ASN A 48 -5.454 -3.629 10.575 1.00 0.00 N ATOM 664 CA ASN A 48 -6.607 -4.557 10.459 1.00 0.00 C ATOM 665 C ASN A 48 -7.870 -3.777 10.083 1.00 0.00 C ATOM 666 O ASN A 48 -8.939 -4.016 10.609 1.00 0.00 O ATOM 667 CB ASN A 48 -6.754 -5.187 11.846 1.00 0.00 C ATOM 668 CG ASN A 48 -8.017 -6.050 11.883 1.00 0.00 C ATOM 669 OD1 ASN A 48 -8.298 -6.776 10.951 1.00 0.00 O ATOM 670 ND2 ASN A 48 -8.797 -6.001 12.929 1.00 0.00 N ATOM 0 H ASN A 48 -5.250 -3.303 11.520 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.456 -5.312 9.687 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.879 -5.795 12.076 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -6.810 -4.408 12.607 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -9.641 -6.572 12.963 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -8.562 -5.392 13.712 1.00 0.00 H new ATOM 677 N ARG A 49 -7.754 -2.834 9.185 1.00 0.00 N ATOM 678 CA ARG A 49 -8.941 -2.032 8.790 1.00 0.00 C ATOM 679 C ARG A 49 -9.224 -2.177 7.292 1.00 0.00 C ATOM 680 O ARG A 49 -10.359 -2.146 6.862 1.00 0.00 O ATOM 681 CB ARG A 49 -8.555 -0.595 9.123 1.00 0.00 C ATOM 682 CG ARG A 49 -8.685 -0.368 10.630 1.00 0.00 C ATOM 683 CD ARG A 49 -9.701 0.744 10.895 1.00 0.00 C ATOM 684 NE ARG A 49 -11.001 0.041 11.074 1.00 0.00 N ATOM 685 CZ ARG A 49 -11.873 0.489 11.934 1.00 0.00 C ATOM 686 NH1 ARG A 49 -11.660 0.347 13.214 1.00 0.00 N ATOM 687 NH2 ARG A 49 -12.959 1.080 11.516 1.00 0.00 N ATOM 0 H ARG A 49 -6.886 -2.587 8.710 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.846 -2.353 9.306 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.532 -0.398 8.802 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.198 0.100 8.583 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.002 -1.288 11.121 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.717 -0.098 11.052 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.436 1.317 11.783 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.743 1.447 10.063 1.00 0.00 H new ATOM 0 HE ARG A 49 -11.210 -0.792 10.523 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.811 -0.114 13.542 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -12.342 0.697 13.886 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -13.126 1.192 10.516 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -13.641 1.430 12.189 1.00 0.00 H new ATOM 701 N GLY A 50 -8.205 -2.329 6.490 1.00 0.00 N ATOM 702 CA GLY A 50 -8.439 -2.465 5.024 1.00 0.00 C ATOM 703 C GLY A 50 -7.868 -3.797 4.528 1.00 0.00 C ATOM 704 O GLY A 50 -7.235 -4.525 5.266 1.00 0.00 O ATOM 0 H GLY A 50 -7.229 -2.365 6.783 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.507 -2.415 4.811 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.969 -1.637 4.493 1.00 0.00 H new ATOM 708 N TRP A 51 -8.100 -4.127 3.284 1.00 0.00 N ATOM 709 CA TRP A 51 -7.585 -5.417 2.745 1.00 0.00 C ATOM 710 C TRP A 51 -7.315 -5.292 1.239 1.00 0.00 C ATOM 711 O TRP A 51 -7.822 -4.406 0.586 1.00 0.00 O ATOM 712 CB TRP A 51 -8.722 -6.404 2.996 1.00 0.00 C ATOM 713 CG TRP A 51 -8.466 -7.170 4.253 1.00 0.00 C ATOM 714 CD1 TRP A 51 -9.132 -6.994 5.419 1.00 0.00 C ATOM 715 CD2 TRP A 51 -7.496 -8.229 4.492 1.00 0.00 C ATOM 716 NE1 TRP A 51 -8.630 -7.877 6.357 1.00 0.00 N ATOM 717 CE2 TRP A 51 -7.621 -8.660 5.835 1.00 0.00 C ATOM 718 CE3 TRP A 51 -6.529 -8.851 3.685 1.00 0.00 C ATOM 719 CZ2 TRP A 51 -6.814 -9.672 6.356 1.00 0.00 C ATOM 720 CZ3 TRP A 51 -5.715 -9.869 4.205 1.00 0.00 C ATOM 721 CH2 TRP A 51 -5.858 -10.278 5.538 1.00 0.00 C ATOM 0 H TRP A 51 -8.624 -3.558 2.619 1.00 0.00 H new ATOM 0 HA TRP A 51 -6.649 -5.725 3.211 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -9.669 -5.869 3.073 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -8.811 -7.090 2.154 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -9.925 -6.281 5.588 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -8.965 -7.942 7.318 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -6.411 -8.543 2.656 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -6.928 -9.984 7.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -4.975 -10.340 3.575 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -5.229 -11.062 5.933 1.00 0.00 H new ATOM 732 N CYS A 52 -6.529 -6.175 0.678 1.00 0.00 N ATOM 733 CA CYS A 52 -6.249 -6.094 -0.785 1.00 0.00 C ATOM 734 C CYS A 52 -7.185 -7.036 -1.550 1.00 0.00 C ATOM 735 O CYS A 52 -7.003 -8.237 -1.552 1.00 0.00 O ATOM 736 CB CYS A 52 -4.799 -6.554 -0.945 1.00 0.00 C ATOM 737 SG CYS A 52 -3.674 -5.355 -0.184 1.00 0.00 S ATOM 0 H CYS A 52 -6.072 -6.944 1.168 1.00 0.00 H new ATOM 0 HA CYS A 52 -6.404 -5.088 -1.176 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -4.667 -7.532 -0.482 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.560 -6.667 -2.003 1.00 0.00 H new ATOM 742 N ARG A 53 -8.182 -6.504 -2.201 1.00 0.00 N ATOM 743 CA ARG A 53 -9.123 -7.371 -2.967 1.00 0.00 C ATOM 744 C ARG A 53 -9.110 -6.978 -4.445 1.00 0.00 C ATOM 745 O ARG A 53 -8.865 -5.839 -4.787 1.00 0.00 O ATOM 746 CB ARG A 53 -10.503 -7.096 -2.365 1.00 0.00 C ATOM 747 CG ARG A 53 -10.433 -7.134 -0.838 1.00 0.00 C ATOM 748 CD ARG A 53 -11.126 -5.891 -0.280 1.00 0.00 C ATOM 749 NE ARG A 53 -11.030 -6.023 1.199 1.00 0.00 N ATOM 750 CZ ARG A 53 -11.587 -5.130 1.972 1.00 0.00 C ATOM 751 NH1 ARG A 53 -11.026 -3.963 2.131 1.00 0.00 N ATOM 752 NH2 ARG A 53 -12.707 -5.404 2.584 1.00 0.00 N ATOM 0 H ARG A 53 -8.387 -5.505 -2.236 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.852 -8.425 -2.906 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.864 -6.122 -2.695 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -11.217 -7.838 -2.722 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -10.915 -8.036 -0.461 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.394 -7.166 -0.509 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.639 -4.979 -0.627 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -12.165 -5.840 -0.604 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.529 -6.811 1.609 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.152 -3.748 1.651 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.461 -3.266 2.735 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -13.147 -6.316 2.458 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.142 -4.707 3.188 1.00 0.00 H new ATOM 766 N SER A 54 -9.382 -7.902 -5.325 1.00 0.00 N ATOM 767 CA SER A 54 -9.394 -7.558 -6.775 1.00 0.00 C ATOM 768 C SER A 54 -10.399 -6.434 -7.014 1.00 0.00 C ATOM 769 O SER A 54 -10.084 -5.406 -7.581 1.00 0.00 O ATOM 770 CB SER A 54 -9.827 -8.843 -7.485 1.00 0.00 C ATOM 771 OG SER A 54 -11.099 -8.646 -8.090 1.00 0.00 O ATOM 0 H SER A 54 -9.595 -8.875 -5.105 1.00 0.00 H new ATOM 0 HA SER A 54 -8.427 -7.212 -7.140 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.092 -9.119 -8.241 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.875 -9.666 -6.772 1.00 0.00 H new ATOM 0 HG SER A 54 -11.375 -9.468 -8.546 1.00 0.00 H new ATOM 777 N LYS A 55 -11.605 -6.622 -6.564 1.00 0.00 N ATOM 778 CA LYS A 55 -12.646 -5.576 -6.730 1.00 0.00 C ATOM 779 C LYS A 55 -13.286 -5.301 -5.361 1.00 0.00 C ATOM 780 O LYS A 55 -13.010 -5.985 -4.396 1.00 0.00 O ATOM 781 CB LYS A 55 -13.642 -6.186 -7.732 1.00 0.00 C ATOM 782 CG LYS A 55 -15.086 -5.946 -7.280 1.00 0.00 C ATOM 783 CD LYS A 55 -16.052 -6.562 -8.293 1.00 0.00 C ATOM 784 CE LYS A 55 -16.767 -5.447 -9.058 1.00 0.00 C ATOM 785 NZ LYS A 55 -18.204 -5.591 -8.693 1.00 0.00 N ATOM 0 H LYS A 55 -11.917 -7.466 -6.083 1.00 0.00 H new ATOM 0 HA LYS A 55 -12.270 -4.620 -7.095 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -13.487 -5.747 -8.718 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -13.459 -7.256 -7.827 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -15.247 -6.386 -6.296 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -15.275 -4.877 -7.186 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -15.508 -7.203 -8.987 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -16.780 -7.191 -7.781 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -16.384 -4.466 -8.776 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -16.621 -5.549 -10.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -18.761 -4.860 -9.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -18.542 -6.532 -8.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -18.314 -5.482 -7.665 1.00 0.00 H new ATOM 799 N CYS A 56 -14.132 -4.312 -5.259 1.00 0.00 N ATOM 800 CA CYS A 56 -14.761 -4.021 -3.938 1.00 0.00 C ATOM 801 C CYS A 56 -16.164 -3.428 -4.117 1.00 0.00 C ATOM 802 O CYS A 56 -16.561 -3.058 -5.203 1.00 0.00 O ATOM 803 CB CYS A 56 -13.822 -3.014 -3.275 1.00 0.00 C ATOM 804 SG CYS A 56 -12.266 -3.842 -2.859 1.00 0.00 S ATOM 0 H CYS A 56 -14.413 -3.699 -6.024 1.00 0.00 H new ATOM 0 HA CYS A 56 -14.889 -4.921 -3.337 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -13.634 -2.176 -3.946 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -14.283 -2.605 -2.376 1.00 0.00 H new ATOM 809 N PHE A 57 -16.917 -3.350 -3.051 1.00 0.00 N ATOM 810 CA PHE A 57 -18.299 -2.797 -3.143 1.00 0.00 C ATOM 811 C PHE A 57 -18.270 -1.267 -3.164 1.00 0.00 C ATOM 812 O PHE A 57 -17.229 -0.652 -3.040 1.00 0.00 O ATOM 813 CB PHE A 57 -18.998 -3.298 -1.879 1.00 0.00 C ATOM 814 CG PHE A 57 -18.726 -4.773 -1.704 1.00 0.00 C ATOM 815 CD1 PHE A 57 -19.145 -5.684 -2.680 1.00 0.00 C ATOM 816 CD2 PHE A 57 -18.053 -5.228 -0.563 1.00 0.00 C ATOM 817 CE1 PHE A 57 -18.890 -7.051 -2.518 1.00 0.00 C ATOM 818 CE2 PHE A 57 -17.799 -6.596 -0.401 1.00 0.00 C ATOM 819 CZ PHE A 57 -18.217 -7.507 -1.377 1.00 0.00 C ATOM 0 H PHE A 57 -16.632 -3.647 -2.118 1.00 0.00 H new ATOM 0 HA PHE A 57 -18.808 -3.111 -4.054 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -18.641 -2.746 -1.010 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -20.071 -3.121 -1.950 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -19.665 -5.332 -3.559 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -17.730 -4.525 0.191 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -19.212 -7.754 -3.272 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -17.280 -6.948 0.478 1.00 0.00 H new ATOM 0 HZ PHE A 57 -18.021 -8.562 -1.251 1.00 0.00 H new ATOM 829 N ARG A 58 -19.410 -0.647 -3.319 1.00 0.00 N ATOM 830 CA ARG A 58 -19.455 0.839 -3.348 1.00 0.00 C ATOM 831 C ARG A 58 -19.287 1.403 -1.940 1.00 0.00 C ATOM 832 O ARG A 58 -18.545 2.338 -1.720 1.00 0.00 O ATOM 833 CB ARG A 58 -20.835 1.186 -3.906 1.00 0.00 C ATOM 834 CG ARG A 58 -20.787 2.559 -4.577 1.00 0.00 C ATOM 835 CD ARG A 58 -22.213 3.079 -4.781 1.00 0.00 C ATOM 836 NE ARG A 58 -22.344 4.223 -3.836 1.00 0.00 N ATOM 837 CZ ARG A 58 -23.178 5.193 -4.097 1.00 0.00 C ATOM 838 NH1 ARG A 58 -22.901 6.057 -5.035 1.00 0.00 N ATOM 839 NH2 ARG A 58 -24.289 5.300 -3.419 1.00 0.00 N ATOM 0 H ARG A 58 -20.313 -1.110 -3.427 1.00 0.00 H new ATOM 0 HA ARG A 58 -18.654 1.262 -3.954 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -21.148 0.429 -4.625 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -21.573 1.188 -3.104 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -20.219 3.257 -3.961 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -20.274 2.489 -5.536 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -22.374 3.397 -5.811 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -22.950 2.305 -4.568 1.00 0.00 H new ATOM 0 HE ARG A 58 -21.782 4.249 -2.985 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -22.033 5.974 -5.564 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -23.553 6.815 -5.239 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -24.506 4.626 -2.685 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -24.940 6.058 -3.623 1.00 0.00 H new ATOM 853 N HIS A 59 -19.964 0.837 -0.980 1.00 0.00 N ATOM 854 CA HIS A 59 -19.828 1.342 0.415 1.00 0.00 C ATOM 855 C HIS A 59 -18.345 1.502 0.762 1.00 0.00 C ATOM 856 O HIS A 59 -17.983 2.241 1.656 1.00 0.00 O ATOM 857 CB HIS A 59 -20.474 0.268 1.293 1.00 0.00 C ATOM 858 CG HIS A 59 -21.263 0.925 2.392 1.00 0.00 C ATOM 859 ND1 HIS A 59 -20.694 1.834 3.270 1.00 0.00 N ATOM 860 CD2 HIS A 59 -22.580 0.813 2.768 1.00 0.00 C ATOM 861 CE1 HIS A 59 -21.657 2.230 4.123 1.00 0.00 C ATOM 862 NE2 HIS A 59 -22.826 1.638 3.861 1.00 0.00 N ATOM 0 H HIS A 59 -20.602 0.051 -1.100 1.00 0.00 H new ATOM 0 HA HIS A 59 -20.300 2.314 0.556 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -21.126 -0.365 0.691 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -19.707 -0.379 1.719 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -19.723 2.146 3.270 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -23.313 0.181 2.288 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -21.504 2.940 4.922 1.00 0.00 H new ATOM 870 N GLU A 60 -17.487 0.813 0.059 1.00 0.00 N ATOM 871 CA GLU A 60 -16.032 0.917 0.340 1.00 0.00 C ATOM 872 C GLU A 60 -15.302 1.465 -0.889 1.00 0.00 C ATOM 873 O GLU A 60 -15.884 1.636 -1.941 1.00 0.00 O ATOM 874 CB GLU A 60 -15.599 -0.518 0.617 1.00 0.00 C ATOM 875 CG GLU A 60 -16.193 -0.988 1.946 1.00 0.00 C ATOM 876 CD GLU A 60 -15.141 -1.781 2.722 1.00 0.00 C ATOM 877 OE1 GLU A 60 -14.178 -2.211 2.107 1.00 0.00 O ATOM 878 OE2 GLU A 60 -15.315 -1.947 3.918 1.00 0.00 O ATOM 0 H GLU A 60 -17.736 0.180 -0.701 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.808 1.587 1.170 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.930 -1.170 -0.191 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.511 -0.580 0.652 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -16.523 -0.131 2.532 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -17.071 -1.608 1.765 1.00 0.00 H new ATOM 885 N TYR A 61 -14.029 1.726 -0.772 1.00 0.00 N ATOM 886 CA TYR A 61 -13.272 2.244 -1.948 1.00 0.00 C ATOM 887 C TYR A 61 -11.948 1.502 -2.091 1.00 0.00 C ATOM 888 O TYR A 61 -11.718 0.486 -1.465 1.00 0.00 O ATOM 889 CB TYR A 61 -13.027 3.729 -1.673 1.00 0.00 C ATOM 890 CG TYR A 61 -12.092 3.902 -0.496 1.00 0.00 C ATOM 891 CD1 TYR A 61 -12.524 3.585 0.797 1.00 0.00 C ATOM 892 CD2 TYR A 61 -10.795 4.394 -0.697 1.00 0.00 C ATOM 893 CE1 TYR A 61 -11.663 3.756 1.888 1.00 0.00 C ATOM 894 CE2 TYR A 61 -9.935 4.567 0.394 1.00 0.00 C ATOM 895 CZ TYR A 61 -10.369 4.249 1.686 1.00 0.00 C ATOM 896 OH TYR A 61 -9.521 4.419 2.761 1.00 0.00 O ATOM 0 H TYR A 61 -13.483 1.604 0.081 1.00 0.00 H new ATOM 0 HA TYR A 61 -13.825 2.099 -2.876 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -12.600 4.203 -2.557 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -13.974 4.228 -1.469 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -13.524 3.208 0.954 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -10.459 4.640 -1.694 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -11.997 3.508 2.884 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -8.936 4.946 0.239 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.661 4.768 2.447 1.00 0.00 H new ATOM 906 N VAL A 62 -11.076 2.006 -2.914 1.00 0.00 N ATOM 907 CA VAL A 62 -9.761 1.335 -3.111 1.00 0.00 C ATOM 908 C VAL A 62 -8.636 2.226 -2.585 1.00 0.00 C ATOM 909 O VAL A 62 -8.091 3.032 -3.309 1.00 0.00 O ATOM 910 CB VAL A 62 -9.639 1.146 -4.625 1.00 0.00 C ATOM 911 CG1 VAL A 62 -8.178 0.879 -4.997 1.00 0.00 C ATOM 912 CG2 VAL A 62 -10.498 -0.044 -5.058 1.00 0.00 C ATOM 0 H VAL A 62 -11.216 2.856 -3.461 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.691 0.387 -2.577 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.980 2.050 -5.130 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -8.096 0.745 -6.076 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.564 1.725 -4.689 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.833 -0.023 -4.492 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.413 -0.181 -6.136 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.154 -0.945 -4.550 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.539 0.145 -4.797 1.00 0.00 H new ATOM 922 N ASP A 63 -8.290 2.085 -1.331 1.00 0.00 N ATOM 923 CA ASP A 63 -7.197 2.924 -0.748 1.00 0.00 C ATOM 924 C ASP A 63 -6.056 3.087 -1.755 1.00 0.00 C ATOM 925 O ASP A 63 -5.140 2.290 -1.807 1.00 0.00 O ATOM 926 CB ASP A 63 -6.716 2.157 0.484 1.00 0.00 C ATOM 927 CG ASP A 63 -6.066 3.129 1.470 1.00 0.00 C ATOM 928 OD1 ASP A 63 -5.739 4.229 1.057 1.00 0.00 O ATOM 929 OD2 ASP A 63 -5.908 2.757 2.621 1.00 0.00 O ATOM 0 H ASP A 63 -8.718 1.423 -0.683 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.543 3.926 -0.495 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.555 1.648 0.959 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.001 1.388 0.190 1.00 0.00 H new ATOM 934 N THR A 64 -6.113 4.110 -2.559 1.00 0.00 N ATOM 935 CA THR A 64 -5.039 4.326 -3.573 1.00 0.00 C ATOM 936 C THR A 64 -3.660 4.318 -2.907 1.00 0.00 C ATOM 937 O THR A 64 -2.654 4.070 -3.542 1.00 0.00 O ATOM 938 CB THR A 64 -5.326 5.704 -4.174 1.00 0.00 C ATOM 939 OG1 THR A 64 -6.056 6.489 -3.240 1.00 0.00 O ATOM 940 CG2 THR A 64 -6.140 5.545 -5.459 1.00 0.00 C ATOM 0 H THR A 64 -6.857 4.808 -2.560 1.00 0.00 H new ATOM 0 HA THR A 64 -5.032 3.540 -4.328 1.00 0.00 H new ATOM 0 HB THR A 64 -4.383 6.201 -4.404 1.00 0.00 H new ATOM 0 HG1 THR A 64 -7.002 6.505 -3.495 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.343 6.528 -5.885 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.576 4.948 -6.176 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.082 5.046 -5.233 1.00 0.00 H new ATOM 948 N TYR A 65 -3.607 4.601 -1.638 1.00 0.00 N ATOM 949 CA TYR A 65 -2.294 4.628 -0.929 1.00 0.00 C ATOM 950 C TYR A 65 -1.761 3.210 -0.697 1.00 0.00 C ATOM 951 O TYR A 65 -0.590 2.942 -0.877 1.00 0.00 O ATOM 952 CB TYR A 65 -2.591 5.302 0.408 1.00 0.00 C ATOM 953 CG TYR A 65 -1.330 5.940 0.942 1.00 0.00 C ATOM 954 CD1 TYR A 65 -0.565 6.775 0.121 1.00 0.00 C ATOM 955 CD2 TYR A 65 -0.928 5.693 2.260 1.00 0.00 C ATOM 956 CE1 TYR A 65 0.604 7.364 0.617 1.00 0.00 C ATOM 957 CE2 TYR A 65 0.241 6.283 2.757 1.00 0.00 C ATOM 958 CZ TYR A 65 1.007 7.118 1.935 1.00 0.00 C ATOM 959 OH TYR A 65 2.160 7.699 2.423 1.00 0.00 O ATOM 0 H TYR A 65 -4.417 4.816 -1.057 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.534 5.153 -1.507 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.368 6.056 0.282 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.970 4.569 1.120 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -0.876 6.965 -0.896 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -1.519 5.048 2.893 1.00 0.00 H new ATOM 0 HE1 TYR A 65 1.195 8.008 -0.017 1.00 0.00 H new ATOM 0 HE2 TYR A 65 0.551 6.094 3.774 1.00 0.00 H new ATOM 0 HH TYR A 65 2.295 7.426 3.354 1.00 0.00 H new ATOM 969 N TYR A 66 -2.602 2.308 -0.274 1.00 0.00 N ATOM 970 CA TYR A 66 -2.127 0.919 -0.003 1.00 0.00 C ATOM 971 C TYR A 66 -2.233 0.032 -1.250 1.00 0.00 C ATOM 972 O TYR A 66 -1.713 -1.070 -1.281 1.00 0.00 O ATOM 973 CB TYR A 66 -3.032 0.412 1.118 1.00 0.00 C ATOM 974 CG TYR A 66 -2.447 0.835 2.445 1.00 0.00 C ATOM 975 CD1 TYR A 66 -1.514 0.017 3.092 1.00 0.00 C ATOM 976 CD2 TYR A 66 -2.831 2.052 3.023 1.00 0.00 C ATOM 977 CE1 TYR A 66 -0.965 0.415 4.316 1.00 0.00 C ATOM 978 CE2 TYR A 66 -2.282 2.449 4.247 1.00 0.00 C ATOM 979 CZ TYR A 66 -1.348 1.630 4.894 1.00 0.00 C ATOM 980 OH TYR A 66 -0.806 2.022 6.101 1.00 0.00 O ATOM 0 H TYR A 66 -3.595 2.470 -0.104 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.074 0.897 0.277 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -4.038 0.816 1.003 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.118 -0.674 1.072 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.218 -0.921 2.647 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.551 2.684 2.524 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -0.245 -0.216 4.815 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.578 3.387 4.693 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.179 2.891 6.360 1.00 0.00 H new ATOM 990 N SER A 67 -2.877 0.495 -2.284 1.00 0.00 N ATOM 991 CA SER A 67 -2.972 -0.340 -3.515 1.00 0.00 C ATOM 992 C SER A 67 -1.571 -0.795 -3.918 1.00 0.00 C ATOM 993 O SER A 67 -1.393 -1.779 -4.612 1.00 0.00 O ATOM 994 CB SER A 67 -3.570 0.581 -4.579 1.00 0.00 C ATOM 995 OG SER A 67 -2.529 1.066 -5.417 1.00 0.00 O ATOM 0 H SER A 67 -3.337 1.404 -2.332 1.00 0.00 H new ATOM 0 HA SER A 67 -3.581 -1.233 -3.377 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.308 0.040 -5.172 1.00 0.00 H new ATOM 0 HB3 SER A 67 -4.090 1.414 -4.105 1.00 0.00 H new ATOM 0 HG SER A 67 -2.908 1.656 -6.102 1.00 0.00 H new ATOM 1001 N ALA A 68 -0.571 -0.082 -3.477 1.00 0.00 N ATOM 1002 CA ALA A 68 0.828 -0.453 -3.819 1.00 0.00 C ATOM 1003 C ALA A 68 1.227 -1.757 -3.121 1.00 0.00 C ATOM 1004 O ALA A 68 1.701 -2.683 -3.751 1.00 0.00 O ATOM 1005 CB ALA A 68 1.679 0.711 -3.309 1.00 0.00 C ATOM 0 H ALA A 68 -0.666 0.747 -2.890 1.00 0.00 H new ATOM 0 HA ALA A 68 0.958 -0.620 -4.888 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.730 0.515 -3.523 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.373 1.631 -3.807 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.542 0.818 -2.233 1.00 0.00 H new ATOM 1011 N VAL A 69 1.056 -1.843 -1.826 1.00 0.00 N ATOM 1012 CA VAL A 69 1.449 -3.096 -1.120 1.00 0.00 C ATOM 1013 C VAL A 69 0.662 -4.287 -1.673 1.00 0.00 C ATOM 1014 O VAL A 69 1.175 -5.384 -1.765 1.00 0.00 O ATOM 1015 CB VAL A 69 1.152 -2.865 0.371 1.00 0.00 C ATOM 1016 CG1 VAL A 69 -0.352 -2.768 0.617 1.00 0.00 C ATOM 1017 CG2 VAL A 69 1.725 -4.024 1.187 1.00 0.00 C ATOM 0 H VAL A 69 0.666 -1.109 -1.235 1.00 0.00 H new ATOM 0 HA VAL A 69 2.504 -3.327 -1.267 1.00 0.00 H new ATOM 0 HB VAL A 69 1.615 -1.927 0.676 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.537 -2.605 1.679 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.761 -1.935 0.045 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.833 -3.695 0.303 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.516 -3.863 2.245 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.265 -4.958 0.865 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.803 -4.078 1.035 1.00 0.00 H new ATOM 1027 N CYS A 70 -0.569 -4.086 -2.062 1.00 0.00 N ATOM 1028 CA CYS A 70 -1.353 -5.229 -2.619 1.00 0.00 C ATOM 1029 C CYS A 70 -0.655 -5.773 -3.867 1.00 0.00 C ATOM 1030 O CYS A 70 -0.407 -6.956 -3.987 1.00 0.00 O ATOM 1031 CB CYS A 70 -2.722 -4.658 -2.995 1.00 0.00 C ATOM 1032 SG CYS A 70 -3.486 -3.878 -1.553 1.00 0.00 S ATOM 0 H CYS A 70 -1.061 -3.193 -2.020 1.00 0.00 H new ATOM 0 HA CYS A 70 -1.443 -6.045 -1.902 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.613 -3.929 -3.798 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -3.365 -5.453 -3.372 1.00 0.00 H new ATOM 1037 N GLY A 71 -0.339 -4.913 -4.798 1.00 0.00 N ATOM 1038 CA GLY A 71 0.340 -5.376 -6.041 1.00 0.00 C ATOM 1039 C GLY A 71 -0.708 -5.620 -7.126 1.00 0.00 C ATOM 1040 O GLY A 71 -1.216 -4.696 -7.731 1.00 0.00 O ATOM 0 H GLY A 71 -0.522 -3.911 -4.751 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.060 -4.629 -6.376 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.898 -6.292 -5.845 1.00 0.00 H new ATOM 1044 N ARG A 72 -1.041 -6.856 -7.375 1.00 0.00 N ATOM 1045 CA ARG A 72 -2.064 -7.154 -8.418 1.00 0.00 C ATOM 1046 C ARG A 72 -3.464 -6.854 -7.875 1.00 0.00 C ATOM 1047 O ARG A 72 -4.447 -6.931 -8.585 1.00 0.00 O ATOM 1048 CB ARG A 72 -1.906 -8.645 -8.714 1.00 0.00 C ATOM 1049 CG ARG A 72 -0.840 -8.840 -9.793 1.00 0.00 C ATOM 1050 CD ARG A 72 0.273 -9.743 -9.256 1.00 0.00 C ATOM 1051 NE ARG A 72 0.892 -10.350 -10.467 1.00 0.00 N ATOM 1052 CZ ARG A 72 0.156 -11.029 -11.304 1.00 0.00 C ATOM 1053 NH1 ARG A 72 -0.580 -12.017 -10.873 1.00 0.00 N ATOM 1054 NH2 ARG A 72 0.156 -10.721 -12.572 1.00 0.00 N ATOM 0 H ARG A 72 -0.650 -7.671 -6.903 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.934 -6.549 -9.315 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.623 -9.179 -7.807 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.856 -9.063 -9.046 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.286 -9.285 -10.683 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.428 -7.876 -10.091 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.003 -9.172 -8.683 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.126 -10.508 -8.590 1.00 0.00 H new ATOM 0 HE ARG A 72 1.890 -10.235 -10.642 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -0.580 -12.258 -9.882 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -1.155 -12.548 -11.527 1.00 0.00 H new ATOM 0 HH21 ARG A 72 0.731 -9.949 -12.909 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -0.419 -11.252 -13.226 1.00 0.00 H new ATOM 1068 N TYR A 73 -3.560 -6.509 -6.619 1.00 0.00 N ATOM 1069 CA TYR A 73 -4.894 -6.200 -6.028 1.00 0.00 C ATOM 1070 C TYR A 73 -4.919 -4.760 -5.512 1.00 0.00 C ATOM 1071 O TYR A 73 -3.933 -4.052 -5.572 1.00 0.00 O ATOM 1072 CB TYR A 73 -5.052 -7.182 -4.867 1.00 0.00 C ATOM 1073 CG TYR A 73 -5.211 -8.584 -5.404 1.00 0.00 C ATOM 1074 CD1 TYR A 73 -6.456 -9.014 -5.876 1.00 0.00 C ATOM 1075 CD2 TYR A 73 -4.115 -9.454 -5.427 1.00 0.00 C ATOM 1076 CE1 TYR A 73 -6.606 -10.315 -6.372 1.00 0.00 C ATOM 1077 CE2 TYR A 73 -4.264 -10.755 -5.922 1.00 0.00 C ATOM 1078 CZ TYR A 73 -5.509 -11.185 -6.395 1.00 0.00 C ATOM 1079 OH TYR A 73 -5.657 -12.467 -6.884 1.00 0.00 O ATOM 0 H TYR A 73 -2.772 -6.428 -5.977 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.699 -6.295 -6.756 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.182 -7.129 -4.213 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.920 -6.912 -4.265 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -7.302 -8.342 -5.858 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.154 -9.122 -5.063 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -7.567 -10.647 -6.736 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -3.418 -11.427 -5.939 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.800 -12.939 -6.830 1.00 0.00 H new ATOM 1089 N PHE A 74 -6.035 -4.326 -4.999 1.00 0.00 N ATOM 1090 CA PHE A 74 -6.121 -2.935 -4.469 1.00 0.00 C ATOM 1091 C PHE A 74 -6.493 -2.969 -2.985 1.00 0.00 C ATOM 1092 O PHE A 74 -7.350 -3.723 -2.573 1.00 0.00 O ATOM 1093 CB PHE A 74 -7.235 -2.247 -5.267 1.00 0.00 C ATOM 1094 CG PHE A 74 -7.219 -2.704 -6.708 1.00 0.00 C ATOM 1095 CD1 PHE A 74 -7.799 -3.928 -7.061 1.00 0.00 C ATOM 1096 CD2 PHE A 74 -6.635 -1.898 -7.692 1.00 0.00 C ATOM 1097 CE1 PHE A 74 -7.794 -4.347 -8.396 1.00 0.00 C ATOM 1098 CE2 PHE A 74 -6.631 -2.315 -9.028 1.00 0.00 C ATOM 1099 CZ PHE A 74 -7.211 -3.540 -9.380 1.00 0.00 C ATOM 0 H PHE A 74 -6.892 -4.873 -4.923 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.172 -2.408 -4.567 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -8.203 -2.473 -4.819 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.107 -1.165 -5.222 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -8.251 -4.550 -6.302 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -6.187 -0.954 -7.420 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.240 -5.293 -8.667 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -6.181 -1.692 -9.787 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.209 -3.862 -10.411 1.00 0.00 H new ATOM 1109 N CYS A 75 -5.871 -2.155 -2.178 1.00 0.00 N ATOM 1110 CA CYS A 75 -6.219 -2.151 -0.731 1.00 0.00 C ATOM 1111 C CYS A 75 -7.494 -1.346 -0.521 1.00 0.00 C ATOM 1112 O CYS A 75 -7.451 -0.144 -0.369 1.00 0.00 O ATOM 1113 CB CYS A 75 -5.052 -1.460 -0.018 1.00 0.00 C ATOM 1114 SG CYS A 75 -5.527 -1.099 1.692 1.00 0.00 S ATOM 0 H CYS A 75 -5.142 -1.497 -2.456 1.00 0.00 H new ATOM 0 HA CYS A 75 -6.382 -3.159 -0.350 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -4.170 -2.100 -0.035 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -4.788 -0.538 -0.537 1.00 0.00 H new ATOM 1119 N CYS A 76 -8.627 -1.983 -0.499 1.00 0.00 N ATOM 1120 CA CYS A 76 -9.874 -1.211 -0.285 1.00 0.00 C ATOM 1121 C CYS A 76 -10.001 -0.875 1.193 1.00 0.00 C ATOM 1122 O CYS A 76 -9.249 -1.357 2.021 1.00 0.00 O ATOM 1123 CB CYS A 76 -11.012 -2.124 -0.720 1.00 0.00 C ATOM 1124 SG CYS A 76 -10.967 -2.336 -2.516 1.00 0.00 S ATOM 0 H CYS A 76 -8.743 -2.989 -0.618 1.00 0.00 H new ATOM 0 HA CYS A 76 -9.885 -0.277 -0.847 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -10.924 -3.092 -0.227 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -11.969 -1.699 -0.418 1.00 0.00 H new ATOM 1129 N ARG A 77 -10.937 -0.047 1.529 1.00 0.00 N ATOM 1130 CA ARG A 77 -11.108 0.337 2.954 1.00 0.00 C ATOM 1131 C ARG A 77 -12.506 0.897 3.185 1.00 0.00 C ATOM 1132 O ARG A 77 -13.322 0.951 2.288 1.00 0.00 O ATOM 1133 CB ARG A 77 -10.059 1.424 3.187 1.00 0.00 C ATOM 1134 CG ARG A 77 -8.704 0.780 3.472 1.00 0.00 C ATOM 1135 CD ARG A 77 -7.866 1.719 4.341 1.00 0.00 C ATOM 1136 NE ARG A 77 -8.636 1.857 5.609 1.00 0.00 N ATOM 1137 CZ ARG A 77 -8.114 2.488 6.624 1.00 0.00 C ATOM 1138 NH1 ARG A 77 -7.049 3.224 6.458 1.00 0.00 N ATOM 1139 NH2 ARG A 77 -8.656 2.385 7.806 1.00 0.00 N ATOM 0 H ARG A 77 -11.595 0.384 0.880 1.00 0.00 H new ATOM 0 HA ARG A 77 -10.988 -0.510 3.630 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.989 2.069 2.311 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -10.356 2.055 4.025 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -8.843 -0.175 3.979 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.184 0.572 2.537 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.874 1.307 4.524 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.726 2.685 3.857 1.00 0.00 H new ATOM 0 HE ARG A 77 -9.572 1.458 5.683 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.625 3.306 5.534 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.641 3.717 7.252 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -9.489 1.811 7.937 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -8.247 2.879 8.599 1.00 0.00 H new ATOM 1153 N SER A 78 -12.783 1.323 4.382 1.00 0.00 N ATOM 1154 CA SER A 78 -14.129 1.891 4.668 1.00 0.00 C ATOM 1155 C SER A 78 -14.026 3.400 4.907 1.00 0.00 C ATOM 1156 O SER A 78 -13.817 3.852 6.015 1.00 0.00 O ATOM 1157 CB SER A 78 -14.606 1.175 5.933 1.00 0.00 C ATOM 1158 OG SER A 78 -14.606 -0.228 5.706 1.00 0.00 O ATOM 0 H SER A 78 -12.140 1.304 5.173 1.00 0.00 H new ATOM 0 HA SER A 78 -14.821 1.748 3.838 1.00 0.00 H new ATOM 0 HB2 SER A 78 -13.954 1.420 6.771 1.00 0.00 H new ATOM 0 HB3 SER A 78 -15.608 1.512 6.200 1.00 0.00 H new ATOM 0 HG SER A 78 -15.061 -0.423 4.860 1.00 0.00 H new ATOM 1164 N ARG A 79 -14.169 4.182 3.872 1.00 0.00 N ATOM 1165 CA ARG A 79 -14.078 5.661 4.035 1.00 0.00 C ATOM 1166 C ARG A 79 -15.347 6.198 4.704 1.00 0.00 C ATOM 1167 O ARG A 79 -15.286 6.507 5.882 1.00 0.00 O ATOM 1168 CB ARG A 79 -13.948 6.210 2.613 1.00 0.00 C ATOM 1169 CG ARG A 79 -13.335 7.611 2.661 1.00 0.00 C ATOM 1170 CD ARG A 79 -11.820 7.500 2.850 1.00 0.00 C ATOM 1171 NE ARG A 79 -11.397 8.840 3.343 1.00 0.00 N ATOM 1172 CZ ARG A 79 -10.311 8.959 4.057 1.00 0.00 C ATOM 1173 NH1 ARG A 79 -9.224 8.329 3.703 1.00 0.00 N ATOM 1174 NH2 ARG A 79 -10.312 9.709 5.125 1.00 0.00 N ATOM 1175 OXT ARG A 79 -16.356 6.291 4.025 1.00 0.00 O ATOM 0 H ARG A 79 -14.345 3.861 2.920 1.00 0.00 H new ATOM 0 HA ARG A 79 -13.238 5.956 4.664 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -13.324 5.549 2.012 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -14.927 6.246 2.135 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -13.559 8.149 1.740 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -13.773 8.183 3.479 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -11.567 6.718 3.566 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -11.322 7.248 1.914 1.00 0.00 H new ATOM 0 HE ARG A 79 -11.956 9.664 3.123 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -9.223 7.743 2.868 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -8.376 8.422 4.261 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -11.161 10.202 5.401 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -9.464 9.802 5.683 1.00 0.00 H new TER 1189 ARG A 79