USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 420 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 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 38 LYS NZ :NH3+ -152:sc= -0.165 (180deg=-1.08) USER MOD Set 2.1: A 14 THR OG1 : rot -128:sc= -0.855 USER MOD Set 2.2: A 18 ASN : amide:sc= 0.129 X(o=-0.73,f=-0.99) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.0117 K(o=-0.012,f=-0.6) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0151 X(o=-0.015,f=-0.34) USER MOD Single : A 33 SER OG : rot 61:sc= 0.44 USER MOD Single : A 37 SER OG : rot 35:sc= 0.989 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -38:sc= -1.26! USER MOD Single : A 44 GLN : amide:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 47 LYS NZ :NH3+ -102:sc= -0.0138 (180deg=-1.83!) USER MOD Single : A 52 SER OG : rot 125:sc= -0.072! USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 11 -11.666 -11.652 -4.881 1.00 0.00 N ATOM 2 CA GLN A 11 -10.414 -12.194 -4.290 1.00 0.00 C ATOM 3 C GLN A 11 -10.372 -11.966 -2.784 1.00 0.00 C ATOM 4 O GLN A 11 -11.022 -11.058 -2.265 1.00 0.00 O ATOM 5 CB GLN A 11 -9.223 -11.512 -4.963 1.00 0.00 C ATOM 6 CG GLN A 11 -8.050 -12.445 -5.218 1.00 0.00 C ATOM 7 CD GLN A 11 -8.106 -13.092 -6.588 1.00 0.00 C ATOM 8 OE1 GLN A 11 -7.598 -12.546 -7.567 1.00 0.00 O ATOM 9 NE2 GLN A 11 -8.729 -14.263 -6.663 1.00 0.00 N ATOM 0 HA GLN A 11 -10.374 -13.270 -4.459 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -9.549 -11.084 -5.911 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -8.888 -10.684 -4.338 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -7.119 -11.886 -5.122 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.036 -13.222 -4.454 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -9.136 -14.679 -5.825 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -8.801 -14.746 -7.558 1.00 0.00 H new ATOM 18 N ALA A 12 -9.601 -12.794 -2.086 1.00 0.00 N ATOM 19 CA ALA A 12 -9.474 -12.682 -0.637 1.00 0.00 C ATOM 20 C ALA A 12 -8.104 -12.139 -0.246 1.00 0.00 C ATOM 21 O ALA A 12 -7.078 -12.756 -0.532 1.00 0.00 O ATOM 22 CB ALA A 12 -9.716 -14.033 0.018 1.00 0.00 C ATOM 0 H ALA A 12 -9.055 -13.550 -2.500 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.228 -11.978 -0.283 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.618 -13.936 1.099 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.720 -14.381 -0.226 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.984 -14.752 -0.349 1.00 0.00 H new ATOM 28 N CYS A 13 -8.094 -10.983 0.410 1.00 0.00 N ATOM 29 CA CYS A 13 -6.846 -10.363 0.841 1.00 0.00 C ATOM 30 C CYS A 13 -6.809 -10.206 2.357 1.00 0.00 C ATOM 31 O CYS A 13 -7.827 -10.356 3.032 1.00 0.00 O ATOM 32 CB CYS A 13 -6.666 -8.998 0.172 1.00 0.00 C ATOM 33 SG CYS A 13 -7.883 -7.742 0.685 1.00 0.00 S ATOM 0 H CYS A 13 -8.934 -10.458 0.654 1.00 0.00 H new ATOM 0 HA CYS A 13 -6.027 -11.017 0.541 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.665 -8.628 0.393 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -6.727 -9.126 -0.909 1.00 0.00 H new ATOM 38 N THR A 14 -5.628 -9.904 2.887 1.00 0.00 N ATOM 39 CA THR A 14 -5.457 -9.727 4.324 1.00 0.00 C ATOM 40 C THR A 14 -5.287 -8.254 4.676 1.00 0.00 C ATOM 41 O THR A 14 -4.311 -7.617 4.276 1.00 0.00 O ATOM 42 CB THR A 14 -4.246 -10.524 4.815 1.00 0.00 C ATOM 43 OG1 THR A 14 -3.983 -10.246 6.178 1.00 0.00 O ATOM 44 CG2 THR A 14 -2.984 -10.233 4.034 1.00 0.00 C ATOM 0 H THR A 14 -4.775 -9.777 2.342 1.00 0.00 H new ATOM 0 HA THR A 14 -6.354 -10.098 4.820 1.00 0.00 H new ATOM 0 HB THR A 14 -4.510 -11.572 4.670 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.041 -10.000 6.286 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.164 -10.830 4.432 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.139 -10.484 2.985 1.00 0.00 H new ATOM 0 HG23 THR A 14 -2.738 -9.175 4.121 1.00 0.00 H new ATOM 52 N LEU A 15 -6.240 -7.718 5.432 1.00 0.00 N ATOM 53 CA LEU A 15 -6.195 -6.318 5.842 1.00 0.00 C ATOM 54 C LEU A 15 -4.922 -6.028 6.635 1.00 0.00 C ATOM 55 O LEU A 15 -4.283 -6.944 7.150 1.00 0.00 O ATOM 56 CB LEU A 15 -7.427 -5.974 6.685 1.00 0.00 C ATOM 57 CG LEU A 15 -7.847 -7.048 7.692 1.00 0.00 C ATOM 58 CD1 LEU A 15 -8.254 -6.413 9.015 1.00 0.00 C ATOM 59 CD2 LEU A 15 -8.984 -7.889 7.132 1.00 0.00 C ATOM 0 H LEU A 15 -7.053 -8.231 5.773 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.193 -5.698 4.945 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.231 -5.048 7.226 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.264 -5.780 6.014 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.993 -7.700 7.873 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.549 -7.193 9.717 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.412 -5.855 9.425 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.092 -5.736 8.851 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.269 -8.647 7.861 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.840 -7.249 6.920 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.658 -8.375 6.212 1.00 0.00 H new ATOM 71 N PRO A 16 -4.538 -4.745 6.748 1.00 0.00 N ATOM 72 CA PRO A 16 -3.338 -4.340 7.485 1.00 0.00 C ATOM 73 C PRO A 16 -3.295 -4.937 8.889 1.00 0.00 C ATOM 74 O PRO A 16 -2.223 -5.112 9.467 1.00 0.00 O ATOM 75 CB PRO A 16 -3.442 -2.806 7.554 1.00 0.00 C ATOM 76 CG PRO A 16 -4.822 -2.473 7.090 1.00 0.00 C ATOM 77 CD PRO A 16 -5.234 -3.587 6.174 1.00 0.00 C ATOM 0 HA PRO A 16 -2.429 -4.689 6.996 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -3.273 -2.447 8.569 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.691 -2.334 6.920 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.507 -2.389 7.934 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.838 -1.515 6.570 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.315 -3.727 6.166 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.929 -3.400 5.145 1.00 0.00 H new ATOM 85 N ASN A 17 -4.469 -5.252 9.430 1.00 0.00 N ATOM 86 CA ASN A 17 -4.565 -5.834 10.764 1.00 0.00 C ATOM 87 C ASN A 17 -4.405 -7.353 10.715 1.00 0.00 C ATOM 88 O ASN A 17 -4.176 -7.994 11.741 1.00 0.00 O ATOM 89 CB ASN A 17 -5.905 -5.472 11.404 1.00 0.00 C ATOM 90 CG ASN A 17 -5.825 -4.208 12.240 1.00 0.00 C ATOM 91 OD1 ASN A 17 -4.967 -3.356 12.015 1.00 0.00 O ATOM 92 ND2 ASN A 17 -6.722 -4.083 13.211 1.00 0.00 N ATOM 0 H ASN A 17 -5.366 -5.114 8.965 1.00 0.00 H new ATOM 0 HA ASN A 17 -3.756 -5.424 11.369 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.654 -5.341 10.623 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.240 -6.298 12.031 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -6.717 -3.255 13.806 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.416 -4.815 13.362 1.00 0.00 H new ATOM 99 N ASN A 18 -4.525 -7.925 9.518 1.00 0.00 N ATOM 100 CA ASN A 18 -4.393 -9.369 9.336 1.00 0.00 C ATOM 101 C ASN A 18 -5.554 -10.110 9.993 1.00 0.00 C ATOM 102 O ASN A 18 -5.452 -10.555 11.137 1.00 0.00 O ATOM 103 CB ASN A 18 -3.062 -9.863 9.911 1.00 0.00 C ATOM 104 CG ASN A 18 -2.058 -10.208 8.828 1.00 0.00 C ATOM 105 OD1 ASN A 18 -1.755 -9.387 7.962 1.00 0.00 O ATOM 106 ND2 ASN A 18 -1.538 -11.428 8.872 1.00 0.00 N ATOM 0 H ASN A 18 -4.714 -7.409 8.659 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.413 -9.576 8.266 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -2.642 -9.095 10.561 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.241 -10.742 10.531 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.858 -11.718 8.169 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.819 -12.076 9.608 1.00 0.00 H new ATOM 113 N ASP A 19 -6.655 -10.240 9.259 1.00 0.00 N ATOM 114 CA ASP A 19 -7.835 -10.930 9.770 1.00 0.00 C ATOM 115 C ASP A 19 -8.685 -11.478 8.626 1.00 0.00 C ATOM 116 O ASP A 19 -9.892 -11.665 8.773 1.00 0.00 O ATOM 117 CB ASP A 19 -8.671 -9.982 10.634 1.00 0.00 C ATOM 118 CG ASP A 19 -8.358 -10.122 12.111 1.00 0.00 C ATOM 119 OD1 ASP A 19 -8.169 -11.268 12.572 1.00 0.00 O ATOM 120 OD2 ASP A 19 -8.303 -9.087 12.807 1.00 0.00 O ATOM 0 H ASP A 19 -6.755 -9.878 8.311 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.499 -11.768 10.381 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -8.488 -8.954 10.322 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.730 -10.182 10.469 1.00 0.00 H new ATOM 125 N LYS A 20 -8.046 -11.738 7.489 1.00 0.00 N ATOM 126 CA LYS A 20 -8.743 -12.269 6.321 1.00 0.00 C ATOM 127 C LYS A 20 -9.787 -11.279 5.812 1.00 0.00 C ATOM 128 O LYS A 20 -10.507 -10.662 6.598 1.00 0.00 O ATOM 129 CB LYS A 20 -9.413 -13.603 6.662 1.00 0.00 C ATOM 130 CG LYS A 20 -8.561 -14.509 7.536 1.00 0.00 C ATOM 131 CD LYS A 20 -7.460 -15.185 6.735 1.00 0.00 C ATOM 132 CE LYS A 20 -6.202 -14.331 6.685 1.00 0.00 C ATOM 133 NZ LYS A 20 -5.353 -14.662 5.507 1.00 0.00 N ATOM 0 H LYS A 20 -7.046 -11.590 7.351 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.007 -12.430 5.534 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.357 -13.406 7.170 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.652 -14.126 5.736 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.119 -13.925 8.343 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.192 -15.267 8.000 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.227 -16.152 7.180 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.811 -15.377 5.721 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.480 -13.278 6.648 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.627 -14.477 7.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.506 -14.059 5.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.067 -15.661 5.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.893 -14.498 4.633 1.00 0.00 H new ATOM 147 N GLY A 21 -9.865 -11.135 4.493 1.00 0.00 N ATOM 148 CA GLY A 21 -10.823 -10.221 3.903 1.00 0.00 C ATOM 149 C GLY A 21 -10.969 -10.416 2.406 1.00 0.00 C ATOM 150 O GLY A 21 -10.488 -11.404 1.853 1.00 0.00 O ATOM 0 H GLY A 21 -9.281 -11.636 3.823 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -11.793 -10.359 4.380 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -10.513 -9.196 4.104 1.00 0.00 H new ATOM 154 N THR A 22 -11.635 -9.471 1.754 1.00 0.00 N ATOM 155 CA THR A 22 -11.850 -9.534 0.313 1.00 0.00 C ATOM 156 C THR A 22 -11.229 -8.323 -0.375 1.00 0.00 C ATOM 157 O THR A 22 -11.195 -7.232 0.190 1.00 0.00 O ATOM 158 CB THR A 22 -13.345 -9.602 -0.001 1.00 0.00 C ATOM 159 OG1 THR A 22 -13.970 -10.626 0.752 1.00 0.00 O ATOM 160 CG2 THR A 22 -13.638 -9.865 -1.464 1.00 0.00 C ATOM 0 H THR A 22 -12.037 -8.648 2.203 1.00 0.00 H new ATOM 0 HA THR A 22 -11.369 -10.436 -0.064 1.00 0.00 H new ATOM 0 HB THR A 22 -13.740 -8.621 0.262 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.926 -10.652 0.538 1.00 0.00 H new ATOM 0 HG21 THR A 22 -14.716 -9.901 -1.618 1.00 0.00 H new ATOM 0 HG22 THR A 22 -13.211 -9.066 -2.070 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.197 -10.818 -1.758 1.00 0.00 H new ATOM 168 N CYS A 23 -10.734 -8.518 -1.592 1.00 0.00 N ATOM 169 CA CYS A 23 -10.111 -7.431 -2.340 1.00 0.00 C ATOM 170 C CYS A 23 -10.862 -7.150 -3.636 1.00 0.00 C ATOM 171 O CYS A 23 -11.018 -8.031 -4.481 1.00 0.00 O ATOM 172 CB CYS A 23 -8.651 -7.765 -2.651 1.00 0.00 C ATOM 173 SG CYS A 23 -7.565 -6.306 -2.763 1.00 0.00 S ATOM 0 H CYS A 23 -10.751 -9.413 -2.080 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.151 -6.536 -1.719 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -8.269 -8.431 -1.878 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -8.607 -8.311 -3.593 1.00 0.00 H new ATOM 178 N LYS A 24 -11.325 -5.913 -3.781 1.00 0.00 N ATOM 179 CA LYS A 24 -12.059 -5.500 -4.971 1.00 0.00 C ATOM 180 C LYS A 24 -11.709 -4.065 -5.344 1.00 0.00 C ATOM 181 O LYS A 24 -11.170 -3.316 -4.529 1.00 0.00 O ATOM 182 CB LYS A 24 -13.566 -5.630 -4.737 1.00 0.00 C ATOM 183 CG LYS A 24 -14.018 -5.118 -3.380 1.00 0.00 C ATOM 184 CD LYS A 24 -15.533 -5.011 -3.302 1.00 0.00 C ATOM 185 CE LYS A 24 -16.174 -6.363 -3.040 1.00 0.00 C ATOM 186 NZ LYS A 24 -17.422 -6.241 -2.237 1.00 0.00 N ATOM 0 H LYS A 24 -11.204 -5.176 -3.086 1.00 0.00 H new ATOM 0 HA LYS A 24 -11.773 -6.153 -5.795 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -14.095 -5.082 -5.517 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -13.851 -6.678 -4.834 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.659 -5.788 -2.599 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.573 -4.141 -3.192 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -15.809 -4.316 -2.509 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -15.918 -4.599 -4.235 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -16.400 -6.848 -3.990 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.466 -7.005 -2.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -17.828 -7.186 -2.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -17.203 -5.802 -1.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -18.108 -5.650 -2.749 1.00 0.00 H new ATOM 200 N SER A 25 -12.017 -3.684 -6.580 1.00 0.00 N ATOM 201 CA SER A 25 -11.732 -2.334 -7.057 1.00 0.00 C ATOM 202 C SER A 25 -12.354 -1.287 -6.139 1.00 0.00 C ATOM 203 O SER A 25 -12.973 -1.622 -5.129 1.00 0.00 O ATOM 204 CB SER A 25 -12.257 -2.153 -8.483 1.00 0.00 C ATOM 205 OG SER A 25 -11.720 -3.134 -9.353 1.00 0.00 O ATOM 0 H SER A 25 -12.463 -4.290 -7.269 1.00 0.00 H new ATOM 0 HA SER A 25 -10.651 -2.197 -7.053 1.00 0.00 H new ATOM 0 HB2 SER A 25 -13.345 -2.218 -8.484 1.00 0.00 H new ATOM 0 HB3 SER A 25 -11.997 -1.159 -8.846 1.00 0.00 H new ATOM 0 HG SER A 25 -12.072 -2.997 -10.257 1.00 0.00 H new ATOM 211 N LEU A 26 -12.185 -0.016 -6.494 1.00 0.00 N ATOM 212 CA LEU A 26 -12.732 1.078 -5.701 1.00 0.00 C ATOM 213 C LEU A 26 -14.080 1.534 -6.253 1.00 0.00 C ATOM 214 O LEU A 26 -14.463 2.694 -6.099 1.00 0.00 O ATOM 215 CB LEU A 26 -11.753 2.254 -5.673 1.00 0.00 C ATOM 216 CG LEU A 26 -11.398 2.837 -7.045 1.00 0.00 C ATOM 217 CD1 LEU A 26 -12.203 4.101 -7.318 1.00 0.00 C ATOM 218 CD2 LEU A 26 -9.905 3.123 -7.133 1.00 0.00 C ATOM 0 H LEU A 26 -11.674 0.280 -7.325 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.883 0.715 -4.684 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.179 3.047 -5.058 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -10.834 1.930 -5.184 1.00 0.00 H new ATOM 0 HG LEU A 26 -11.653 2.100 -7.806 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.935 4.498 -8.297 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -13.267 3.866 -7.300 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.983 4.845 -6.552 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.671 3.536 -8.114 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.626 3.840 -6.361 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.348 2.197 -6.987 1.00 0.00 H new ATOM 230 N LEU A 27 -14.796 0.614 -6.892 1.00 0.00 N ATOM 231 CA LEU A 27 -16.101 0.921 -7.465 1.00 0.00 C ATOM 232 C LEU A 27 -17.075 -0.231 -7.240 1.00 0.00 C ATOM 233 O LEU A 27 -17.990 -0.446 -8.034 1.00 0.00 O ATOM 234 CB LEU A 27 -15.970 1.211 -8.961 1.00 0.00 C ATOM 235 CG LEU A 27 -14.951 2.292 -9.324 1.00 0.00 C ATOM 236 CD1 LEU A 27 -14.612 2.230 -10.805 1.00 0.00 C ATOM 237 CD2 LEU A 27 -15.480 3.670 -8.954 1.00 0.00 C ATOM 0 H LEU A 27 -14.494 -0.351 -7.026 1.00 0.00 H new ATOM 0 HA LEU A 27 -16.492 1.807 -6.965 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -15.695 0.288 -9.472 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -16.946 1.509 -9.345 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.039 2.110 -8.755 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.886 3.007 -11.045 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.190 1.253 -11.041 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -15.517 2.386 -11.392 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.742 4.427 -9.220 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.407 3.861 -9.495 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.671 3.710 -7.882 1.00 0.00 H new ATOM 249 N GLN A 28 -16.870 -0.969 -6.154 1.00 0.00 N ATOM 250 CA GLN A 28 -17.727 -2.101 -5.825 1.00 0.00 C ATOM 251 C GLN A 28 -18.140 -2.060 -4.357 1.00 0.00 C ATOM 252 O GLN A 28 -19.327 -2.117 -4.034 1.00 0.00 O ATOM 253 CB GLN A 28 -17.011 -3.416 -6.130 1.00 0.00 C ATOM 254 CG GLN A 28 -16.963 -3.756 -7.612 1.00 0.00 C ATOM 255 CD GLN A 28 -17.813 -4.964 -7.962 1.00 0.00 C ATOM 256 OE1 GLN A 28 -18.879 -5.175 -7.386 1.00 0.00 O ATOM 257 NE2 GLN A 28 -17.340 -5.763 -8.911 1.00 0.00 N ATOM 0 H GLN A 28 -16.117 -0.803 -5.486 1.00 0.00 H new ATOM 0 HA GLN A 28 -18.625 -2.036 -6.439 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.993 -3.363 -5.745 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -17.511 -4.224 -5.597 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -17.304 -2.897 -8.189 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -15.930 -3.946 -7.904 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -16.451 -5.548 -9.362 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -17.866 -6.591 -9.189 1.00 0.00 H new ATOM 266 N CYS A 29 -17.154 -1.960 -3.471 1.00 0.00 N ATOM 267 CA CYS A 29 -17.416 -1.910 -2.037 1.00 0.00 C ATOM 268 C CYS A 29 -18.234 -0.673 -1.680 1.00 0.00 C ATOM 269 O CYS A 29 -17.857 0.450 -2.016 1.00 0.00 O ATOM 270 CB CYS A 29 -16.103 -1.916 -1.255 1.00 0.00 C ATOM 271 SG CYS A 29 -16.132 -2.964 0.237 1.00 0.00 S ATOM 0 H CYS A 29 -16.166 -1.912 -3.721 1.00 0.00 H new ATOM 0 HA CYS A 29 -17.991 -2.795 -1.765 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -15.303 -2.258 -1.911 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -15.861 -0.894 -0.964 1.00 0.00 H new ATOM 276 N ASP A 30 -19.356 -0.886 -1.001 1.00 0.00 N ATOM 277 CA ASP A 30 -20.229 0.212 -0.601 1.00 0.00 C ATOM 278 C ASP A 30 -19.496 1.190 0.310 1.00 0.00 C ATOM 279 O ASP A 30 -19.645 2.404 0.180 1.00 0.00 O ATOM 280 CB ASP A 30 -21.472 -0.328 0.108 1.00 0.00 C ATOM 281 CG ASP A 30 -22.587 -0.673 -0.861 1.00 0.00 C ATOM 282 OD1 ASP A 30 -22.279 -1.148 -1.974 1.00 0.00 O ATOM 283 OD2 ASP A 30 -23.766 -0.467 -0.506 1.00 0.00 O ATOM 0 H ASP A 30 -19.683 -1.809 -0.716 1.00 0.00 H new ATOM 0 HA ASP A 30 -20.534 0.744 -1.502 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -21.204 -1.216 0.680 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -21.831 0.414 0.821 1.00 0.00 H new ATOM 288 N VAL A 31 -18.705 0.653 1.230 1.00 0.00 N ATOM 289 CA VAL A 31 -17.949 1.480 2.163 1.00 0.00 C ATOM 290 C VAL A 31 -16.904 2.315 1.433 1.00 0.00 C ATOM 291 O VAL A 31 -16.696 3.485 1.749 1.00 0.00 O ATOM 292 CB VAL A 31 -17.250 0.624 3.235 1.00 0.00 C ATOM 293 CG1 VAL A 31 -18.274 -0.082 4.109 1.00 0.00 C ATOM 294 CG2 VAL A 31 -16.307 -0.380 2.590 1.00 0.00 C ATOM 0 H VAL A 31 -18.570 -0.351 1.350 1.00 0.00 H new ATOM 0 HA VAL A 31 -18.665 2.143 2.650 1.00 0.00 H new ATOM 0 HB VAL A 31 -16.660 1.285 3.869 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -17.760 -0.682 4.860 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -18.902 0.659 4.604 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -18.895 -0.730 3.491 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -15.823 -0.975 3.365 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -16.872 -1.037 1.928 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -15.549 0.151 2.014 1.00 0.00 H new ATOM 304 N ALA A 32 -16.250 1.705 0.454 1.00 0.00 N ATOM 305 CA ALA A 32 -15.229 2.394 -0.324 1.00 0.00 C ATOM 306 C ALA A 32 -15.833 3.534 -1.134 1.00 0.00 C ATOM 307 O ALA A 32 -15.220 4.586 -1.299 1.00 0.00 O ATOM 308 CB ALA A 32 -14.511 1.414 -1.238 1.00 0.00 C ATOM 0 H ALA A 32 -16.408 0.735 0.180 1.00 0.00 H new ATOM 0 HA ALA A 32 -14.505 2.822 0.370 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.751 1.943 -1.813 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -14.037 0.637 -0.638 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -15.230 0.958 -1.919 1.00 0.00 H new ATOM 314 N SER A 33 -17.040 3.311 -1.641 1.00 0.00 N ATOM 315 CA SER A 33 -17.730 4.315 -2.443 1.00 0.00 C ATOM 316 C SER A 33 -18.103 5.535 -1.607 1.00 0.00 C ATOM 317 O SER A 33 -18.060 6.666 -2.094 1.00 0.00 O ATOM 318 CB SER A 33 -18.987 3.715 -3.077 1.00 0.00 C ATOM 319 OG SER A 33 -19.470 2.623 -2.314 1.00 0.00 O ATOM 0 H SER A 33 -17.561 2.444 -1.511 1.00 0.00 H new ATOM 0 HA SER A 33 -17.048 4.638 -3.230 1.00 0.00 H new ATOM 0 HB2 SER A 33 -19.760 4.480 -3.154 1.00 0.00 H new ATOM 0 HB3 SER A 33 -18.764 3.384 -4.091 1.00 0.00 H new ATOM 0 HG SER A 33 -19.696 2.930 -1.411 1.00 0.00 H new ATOM 325 N LYS A 34 -18.470 5.306 -0.351 1.00 0.00 N ATOM 326 CA LYS A 34 -18.850 6.402 0.534 1.00 0.00 C ATOM 327 C LYS A 34 -17.643 7.272 0.872 1.00 0.00 C ATOM 328 O LYS A 34 -17.762 8.490 0.988 1.00 0.00 O ATOM 329 CB LYS A 34 -19.510 5.866 1.812 1.00 0.00 C ATOM 330 CG LYS A 34 -18.558 5.159 2.765 1.00 0.00 C ATOM 331 CD LYS A 34 -18.874 5.485 4.215 1.00 0.00 C ATOM 332 CE LYS A 34 -18.118 4.576 5.172 1.00 0.00 C ATOM 333 NZ LYS A 34 -17.514 5.336 6.301 1.00 0.00 N ATOM 0 H LYS A 34 -18.513 4.380 0.075 1.00 0.00 H new ATOM 0 HA LYS A 34 -19.577 7.022 0.010 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -19.981 6.696 2.338 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -20.305 5.174 1.533 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -18.622 4.082 2.611 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -17.533 5.453 2.540 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -18.616 6.524 4.419 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -19.946 5.383 4.386 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -18.796 3.819 5.566 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -17.334 4.049 4.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -17.008 4.680 6.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -16.847 6.041 5.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -18.264 5.818 6.836 1.00 0.00 H new ATOM 347 N ILE A 35 -16.481 6.640 1.019 1.00 0.00 N ATOM 348 CA ILE A 35 -15.249 7.357 1.334 1.00 0.00 C ATOM 349 C ILE A 35 -14.835 8.265 0.182 1.00 0.00 C ATOM 350 O ILE A 35 -14.307 9.357 0.396 1.00 0.00 O ATOM 351 CB ILE A 35 -14.093 6.385 1.649 1.00 0.00 C ATOM 352 CG1 ILE A 35 -14.517 5.380 2.723 1.00 0.00 C ATOM 353 CG2 ILE A 35 -12.858 7.153 2.094 1.00 0.00 C ATOM 354 CD1 ILE A 35 -13.804 4.051 2.621 1.00 0.00 C ATOM 0 H ILE A 35 -16.367 5.631 0.925 1.00 0.00 H new ATOM 0 HA ILE A 35 -15.453 7.962 2.218 1.00 0.00 H new ATOM 0 HB ILE A 35 -13.847 5.835 0.741 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -14.328 5.810 3.707 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -15.592 5.213 2.649 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -12.052 6.452 2.312 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -12.545 7.830 1.299 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.091 7.728 2.990 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -14.154 3.389 3.413 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -14.013 3.599 1.651 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -12.730 4.205 2.725 1.00 0.00 H new ATOM 366 N ILE A 36 -15.079 7.811 -1.040 1.00 0.00 N ATOM 367 CA ILE A 36 -14.736 8.593 -2.220 1.00 0.00 C ATOM 368 C ILE A 36 -15.606 9.842 -2.305 1.00 0.00 C ATOM 369 O ILE A 36 -15.145 10.904 -2.721 1.00 0.00 O ATOM 370 CB ILE A 36 -14.897 7.762 -3.511 1.00 0.00 C ATOM 371 CG1 ILE A 36 -13.974 6.542 -3.475 1.00 0.00 C ATOM 372 CG2 ILE A 36 -14.607 8.616 -4.740 1.00 0.00 C ATOM 373 CD1 ILE A 36 -12.504 6.887 -3.586 1.00 0.00 C ATOM 0 H ILE A 36 -15.511 6.909 -1.240 1.00 0.00 H new ATOM 0 HA ILE A 36 -13.691 8.887 -2.126 1.00 0.00 H new ATOM 0 HB ILE A 36 -15.929 7.416 -3.573 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -14.141 5.998 -2.545 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -14.243 5.870 -4.290 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -14.726 8.012 -5.639 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -15.302 9.455 -4.772 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -13.585 8.993 -4.689 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.912 5.972 -3.553 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -12.322 7.404 -4.528 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -12.218 7.534 -2.756 1.00 0.00 H new ATOM 385 N SER A 37 -16.864 9.707 -1.904 1.00 0.00 N ATOM 386 CA SER A 37 -17.801 10.826 -1.932 1.00 0.00 C ATOM 387 C SER A 37 -17.556 11.779 -0.765 1.00 0.00 C ATOM 388 O SER A 37 -17.677 12.996 -0.910 1.00 0.00 O ATOM 389 CB SER A 37 -19.242 10.314 -1.893 1.00 0.00 C ATOM 390 OG SER A 37 -19.366 9.205 -1.019 1.00 0.00 O ATOM 0 H SER A 37 -17.260 8.834 -1.555 1.00 0.00 H new ATOM 0 HA SER A 37 -17.641 11.373 -2.861 1.00 0.00 H new ATOM 0 HB2 SER A 37 -19.907 11.114 -1.567 1.00 0.00 H new ATOM 0 HB3 SER A 37 -19.557 10.027 -2.896 1.00 0.00 H new ATOM 0 HG SER A 37 -18.764 9.322 -0.254 1.00 0.00 H new ATOM 396 N LYS A 38 -17.217 11.217 0.389 1.00 0.00 N ATOM 397 CA LYS A 38 -16.961 12.019 1.585 1.00 0.00 C ATOM 398 C LYS A 38 -15.599 12.705 1.514 1.00 0.00 C ATOM 399 O LYS A 38 -15.368 13.709 2.187 1.00 0.00 O ATOM 400 CB LYS A 38 -17.037 11.149 2.843 1.00 0.00 C ATOM 401 CG LYS A 38 -16.259 9.863 2.744 1.00 0.00 C ATOM 402 CD LYS A 38 -15.125 9.807 3.762 1.00 0.00 C ATOM 403 CE LYS A 38 -15.404 8.784 4.852 1.00 0.00 C ATOM 404 NZ LYS A 38 -16.810 8.860 5.339 1.00 0.00 N ATOM 0 H LYS A 38 -17.112 10.211 0.525 1.00 0.00 H new ATOM 0 HA LYS A 38 -17.731 12.789 1.634 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -16.666 11.722 3.692 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -18.082 10.915 3.049 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -16.931 9.019 2.901 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.850 9.762 1.739 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -14.193 9.556 3.256 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -14.989 10.791 4.211 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -15.206 7.783 4.469 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.722 8.947 5.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -16.853 8.538 6.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -17.145 9.843 5.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -17.415 8.252 4.750 1.00 0.00 H new ATOM 418 N LYS A 39 -14.696 12.160 0.704 1.00 0.00 N ATOM 419 CA LYS A 39 -13.360 12.731 0.564 1.00 0.00 C ATOM 420 C LYS A 39 -12.694 12.263 -0.728 1.00 0.00 C ATOM 421 O LYS A 39 -11.851 11.367 -0.712 1.00 0.00 O ATOM 422 CB LYS A 39 -12.496 12.355 1.769 1.00 0.00 C ATOM 423 CG LYS A 39 -12.248 13.512 2.724 1.00 0.00 C ATOM 424 CD LYS A 39 -12.458 13.097 4.172 1.00 0.00 C ATOM 425 CE LYS A 39 -13.838 13.495 4.670 1.00 0.00 C ATOM 426 NZ LYS A 39 -13.847 13.746 6.138 1.00 0.00 N ATOM 0 H LYS A 39 -14.863 11.328 0.138 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.458 13.816 0.521 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.979 11.543 2.313 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -11.538 11.976 1.414 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -11.230 13.880 2.594 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -12.918 14.336 2.480 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -12.334 12.018 4.264 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -11.696 13.560 4.799 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -14.168 14.392 4.146 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -14.551 12.706 4.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -14.806 14.015 6.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -13.556 12.883 6.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -13.185 14.516 6.363 1.00 0.00 H new ATOM 440 N PRO A 40 -13.067 12.868 -1.869 1.00 0.00 N ATOM 441 CA PRO A 40 -12.507 12.517 -3.172 1.00 0.00 C ATOM 442 C PRO A 40 -11.209 13.259 -3.483 1.00 0.00 C ATOM 443 O PRO A 40 -10.886 13.496 -4.648 1.00 0.00 O ATOM 444 CB PRO A 40 -13.609 12.948 -4.136 1.00 0.00 C ATOM 445 CG PRO A 40 -14.274 14.108 -3.466 1.00 0.00 C ATOM 446 CD PRO A 40 -14.071 13.942 -1.978 1.00 0.00 C ATOM 0 HA PRO A 40 -12.240 11.462 -3.231 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -13.198 13.234 -5.104 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -14.315 12.138 -4.316 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -13.844 15.049 -3.810 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -15.336 14.135 -3.709 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -13.718 14.865 -1.518 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -15.000 13.671 -1.477 1.00 0.00 H new ATOM 454 N ARG A 41 -10.470 13.623 -2.440 1.00 0.00 N ATOM 455 CA ARG A 41 -9.206 14.337 -2.605 1.00 0.00 C ATOM 456 C ARG A 41 -8.591 14.680 -1.252 1.00 0.00 C ATOM 457 O ARG A 41 -8.788 15.776 -0.730 1.00 0.00 O ATOM 458 CB ARG A 41 -9.415 15.618 -3.420 1.00 0.00 C ATOM 459 CG ARG A 41 -8.292 15.899 -4.407 1.00 0.00 C ATOM 460 CD ARG A 41 -8.389 17.306 -4.976 1.00 0.00 C ATOM 461 NE ARG A 41 -7.127 18.032 -4.855 1.00 0.00 N ATOM 462 CZ ARG A 41 -6.088 17.857 -5.669 1.00 0.00 C ATOM 463 NH1 ARG A 41 -6.157 16.982 -6.664 1.00 0.00 N ATOM 464 NH2 ARG A 41 -4.979 18.559 -5.488 1.00 0.00 N ATOM 0 H ARG A 41 -10.724 13.436 -1.470 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.520 13.681 -3.142 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -10.356 15.543 -3.964 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -9.508 16.463 -2.737 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.330 15.772 -3.911 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -8.330 15.173 -5.219 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -8.678 17.254 -6.026 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -9.174 17.854 -4.456 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.036 18.714 -4.102 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.009 16.440 -6.808 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.358 16.852 -7.285 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.921 19.233 -4.725 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.183 18.425 -6.112 1.00 0.00 H new ATOM 478 N THR A 42 -7.842 13.736 -0.689 1.00 0.00 N ATOM 479 CA THR A 42 -7.197 13.942 0.601 1.00 0.00 C ATOM 480 C THR A 42 -6.090 12.918 0.823 1.00 0.00 C ATOM 481 O THR A 42 -6.222 11.754 0.443 1.00 0.00 O ATOM 482 CB THR A 42 -8.224 13.853 1.732 1.00 0.00 C ATOM 483 OG1 THR A 42 -9.470 14.388 1.321 1.00 0.00 O ATOM 484 CG2 THR A 42 -7.799 14.589 2.984 1.00 0.00 C ATOM 0 H THR A 42 -7.668 12.822 -1.107 1.00 0.00 H new ATOM 0 HA THR A 42 -6.754 14.938 0.602 1.00 0.00 H new ATOM 0 HB THR A 42 -8.308 12.791 1.964 1.00 0.00 H new ATOM 0 HG1 THR A 42 -9.318 15.175 0.757 1.00 0.00 H new ATOM 0 HG21 THR A 42 -8.571 14.486 3.746 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.865 14.167 3.355 1.00 0.00 H new ATOM 0 HG23 THR A 42 -7.654 15.645 2.754 1.00 0.00 H new ATOM 492 N ALA A 43 -5.000 13.357 1.444 1.00 0.00 N ATOM 493 CA ALA A 43 -3.870 12.478 1.720 1.00 0.00 C ATOM 494 C ALA A 43 -4.312 11.244 2.498 1.00 0.00 C ATOM 495 O ALA A 43 -3.749 10.161 2.338 1.00 0.00 O ATOM 496 CB ALA A 43 -2.794 13.232 2.488 1.00 0.00 C ATOM 0 H ALA A 43 -4.876 14.317 1.766 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.457 12.145 0.768 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.955 12.565 2.688 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.450 14.080 1.895 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.205 13.592 3.431 1.00 0.00 H new ATOM 502 N GLN A 44 -5.323 11.417 3.343 1.00 0.00 N ATOM 503 CA GLN A 44 -5.843 10.319 4.149 1.00 0.00 C ATOM 504 C GLN A 44 -6.387 9.201 3.264 1.00 0.00 C ATOM 505 O GLN A 44 -6.333 8.027 3.625 1.00 0.00 O ATOM 506 CB GLN A 44 -6.940 10.822 5.089 1.00 0.00 C ATOM 507 CG GLN A 44 -6.442 11.810 6.131 1.00 0.00 C ATOM 508 CD GLN A 44 -7.567 12.409 6.950 1.00 0.00 C ATOM 509 OE1 GLN A 44 -7.654 13.626 7.112 1.00 0.00 O ATOM 510 NE2 GLN A 44 -8.440 11.555 7.473 1.00 0.00 N ATOM 0 H GLN A 44 -5.799 12.308 3.487 1.00 0.00 H new ATOM 0 HA GLN A 44 -5.021 9.919 4.743 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -7.725 11.294 4.498 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -7.392 9.969 5.596 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.740 11.307 6.797 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.893 12.610 5.635 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.331 10.553 7.314 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -9.219 11.901 8.033 1.00 0.00 H new ATOM 519 N ASP A 45 -6.913 9.578 2.103 1.00 0.00 N ATOM 520 CA ASP A 45 -7.466 8.607 1.168 1.00 0.00 C ATOM 521 C ASP A 45 -6.363 7.764 0.539 1.00 0.00 C ATOM 522 O ASP A 45 -6.546 6.574 0.285 1.00 0.00 O ATOM 523 CB ASP A 45 -8.270 9.318 0.076 1.00 0.00 C ATOM 524 CG ASP A 45 -9.596 8.640 -0.201 1.00 0.00 C ATOM 525 OD1 ASP A 45 -10.528 8.802 0.616 1.00 0.00 O ATOM 526 OD2 ASP A 45 -9.706 7.947 -1.234 1.00 0.00 O ATOM 0 H ASP A 45 -6.968 10.547 1.788 1.00 0.00 H new ATOM 0 HA ASP A 45 -8.129 7.944 1.724 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.449 10.351 0.375 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.683 9.349 -0.842 1.00 0.00 H new ATOM 531 N GLU A 46 -5.217 8.389 0.291 1.00 0.00 N ATOM 532 CA GLU A 46 -4.083 7.697 -0.310 1.00 0.00 C ATOM 533 C GLU A 46 -3.487 6.683 0.657 1.00 0.00 C ATOM 534 O GLU A 46 -3.152 5.562 0.273 1.00 0.00 O ATOM 535 CB GLU A 46 -3.012 8.701 -0.742 1.00 0.00 C ATOM 536 CG GLU A 46 -3.319 9.388 -2.062 1.00 0.00 C ATOM 537 CD GLU A 46 -2.321 10.477 -2.398 1.00 0.00 C ATOM 538 OE1 GLU A 46 -2.372 11.548 -1.757 1.00 0.00 O ATOM 539 OE2 GLU A 46 -1.486 10.261 -3.302 1.00 0.00 O ATOM 0 H GLU A 46 -5.049 9.374 0.497 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.443 7.163 -1.189 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.901 9.458 0.035 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.055 8.186 -0.824 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.324 8.646 -2.861 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.320 9.818 -2.019 1.00 0.00 H new ATOM 546 N LYS A 47 -3.362 7.080 1.915 1.00 0.00 N ATOM 547 CA LYS A 47 -2.814 6.201 2.939 1.00 0.00 C ATOM 548 C LYS A 47 -3.767 5.045 3.213 1.00 0.00 C ATOM 549 O LYS A 47 -3.339 3.914 3.444 1.00 0.00 O ATOM 550 CB LYS A 47 -2.547 6.980 4.228 1.00 0.00 C ATOM 551 CG LYS A 47 -3.779 7.671 4.785 1.00 0.00 C ATOM 552 CD LYS A 47 -3.452 8.477 6.032 1.00 0.00 C ATOM 553 CE LYS A 47 -2.691 9.748 5.689 1.00 0.00 C ATOM 554 NZ LYS A 47 -3.094 10.888 6.557 1.00 0.00 N ATOM 0 H LYS A 47 -3.632 8.004 2.252 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.870 5.797 2.574 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.152 6.297 4.980 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.776 7.727 4.039 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.202 8.329 4.026 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.539 6.926 5.021 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.374 8.733 6.553 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.858 7.869 6.715 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.621 9.571 5.797 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.868 10.006 4.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.738 11.513 6.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.577 10.526 7.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.249 11.423 6.842 1.00 0.00 H new ATOM 568 N PHE A 48 -5.062 5.340 3.189 1.00 0.00 N ATOM 569 CA PHE A 48 -6.082 4.329 3.437 1.00 0.00 C ATOM 570 C PHE A 48 -6.160 3.331 2.291 1.00 0.00 C ATOM 571 O PHE A 48 -6.292 2.128 2.514 1.00 0.00 O ATOM 572 CB PHE A 48 -7.444 4.990 3.650 1.00 0.00 C ATOM 573 CG PHE A 48 -8.383 4.175 4.494 1.00 0.00 C ATOM 574 CD1 PHE A 48 -8.195 4.077 5.863 1.00 0.00 C ATOM 575 CD2 PHE A 48 -9.451 3.508 3.917 1.00 0.00 C ATOM 576 CE1 PHE A 48 -9.056 3.329 6.643 1.00 0.00 C ATOM 577 CE2 PHE A 48 -10.315 2.757 4.691 1.00 0.00 C ATOM 578 CZ PHE A 48 -10.118 2.668 6.056 1.00 0.00 C ATOM 0 H PHE A 48 -5.430 6.272 3.000 1.00 0.00 H new ATOM 0 HA PHE A 48 -5.803 3.787 4.341 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -7.297 5.962 4.120 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -7.906 5.172 2.680 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -7.366 4.591 6.326 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -9.610 3.576 2.851 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -8.899 3.261 7.709 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -11.143 2.240 4.230 1.00 0.00 H new ATOM 0 HZ PHE A 48 -10.793 2.083 6.663 1.00 0.00 H new ATOM 588 N LEU A 49 -6.072 3.829 1.063 1.00 0.00 N ATOM 589 CA LEU A 49 -6.130 2.960 -0.106 1.00 0.00 C ATOM 590 C LEU A 49 -4.845 2.153 -0.227 1.00 0.00 C ATOM 591 O LEU A 49 -4.862 1.002 -0.664 1.00 0.00 O ATOM 592 CB LEU A 49 -6.376 3.771 -1.382 1.00 0.00 C ATOM 593 CG LEU A 49 -5.317 4.828 -1.703 1.00 0.00 C ATOM 594 CD1 LEU A 49 -4.062 4.179 -2.270 1.00 0.00 C ATOM 595 CD2 LEU A 49 -5.877 5.856 -2.675 1.00 0.00 C ATOM 0 H LEU A 49 -5.961 4.821 0.852 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.966 2.272 0.022 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -6.443 3.081 -2.223 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.344 4.265 -1.297 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.045 5.337 -0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.323 4.949 -2.491 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.652 3.481 -1.540 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.312 3.642 -3.185 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.114 6.602 -2.895 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.176 5.359 -3.598 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.744 6.344 -2.229 1.00 0.00 H new ATOM 607 N ARG A 50 -3.732 2.758 0.176 1.00 0.00 N ATOM 608 CA ARG A 50 -2.439 2.090 0.125 1.00 0.00 C ATOM 609 C ARG A 50 -2.400 0.932 1.117 1.00 0.00 C ATOM 610 O ARG A 50 -1.849 -0.131 0.828 1.00 0.00 O ATOM 611 CB ARG A 50 -1.314 3.079 0.430 1.00 0.00 C ATOM 612 CG ARG A 50 0.077 2.489 0.262 1.00 0.00 C ATOM 613 CD ARG A 50 1.072 3.537 -0.205 1.00 0.00 C ATOM 614 NE ARG A 50 1.229 3.535 -1.658 1.00 0.00 N ATOM 615 CZ ARG A 50 2.263 4.080 -2.295 1.00 0.00 C ATOM 616 NH1 ARG A 50 3.234 4.671 -1.611 1.00 0.00 N ATOM 617 NH2 ARG A 50 2.325 4.035 -3.618 1.00 0.00 N ATOM 0 H ARG A 50 -3.701 3.710 0.541 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.295 1.696 -0.881 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.414 3.944 -0.226 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.426 3.439 1.453 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.411 2.065 1.209 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.042 1.672 -0.458 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.741 4.523 0.122 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.039 3.354 0.264 1.00 0.00 H new ATOM 0 HE ARG A 50 0.502 3.089 -2.218 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.190 4.709 -0.593 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.024 5.087 -2.103 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.580 3.583 -4.148 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.117 4.453 -4.106 1.00 0.00 H new ATOM 631 N GLU A 51 -2.996 1.148 2.284 1.00 0.00 N ATOM 632 CA GLU A 51 -3.041 0.127 3.323 1.00 0.00 C ATOM 633 C GLU A 51 -4.024 -0.976 2.948 1.00 0.00 C ATOM 634 O GLU A 51 -3.835 -2.140 3.303 1.00 0.00 O ATOM 635 CB GLU A 51 -3.438 0.750 4.663 1.00 0.00 C ATOM 636 CG GLU A 51 -2.344 1.604 5.284 1.00 0.00 C ATOM 637 CD GLU A 51 -2.131 1.300 6.754 1.00 0.00 C ATOM 638 OE1 GLU A 51 -2.260 0.119 7.141 1.00 0.00 O ATOM 639 OE2 GLU A 51 -1.839 2.244 7.517 1.00 0.00 O ATOM 0 H GLU A 51 -3.456 2.023 2.534 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.047 -0.310 3.418 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.328 1.362 4.520 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.706 -0.045 5.359 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.411 1.442 4.744 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.600 2.657 5.168 1.00 0.00 H new ATOM 646 N SER A 52 -5.072 -0.599 2.225 1.00 0.00 N ATOM 647 CA SER A 52 -6.088 -1.547 1.793 1.00 0.00 C ATOM 648 C SER A 52 -5.999 -1.772 0.289 1.00 0.00 C ATOM 649 O SER A 52 -7.002 -1.759 -0.415 1.00 0.00 O ATOM 650 CB SER A 52 -7.485 -1.043 2.179 1.00 0.00 C ATOM 651 OG SER A 52 -8.489 -1.572 1.333 1.00 0.00 O ATOM 0 H SER A 52 -5.239 0.361 1.925 1.00 0.00 H new ATOM 0 HA SER A 52 -5.912 -2.499 2.295 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.698 -1.319 3.212 1.00 0.00 H new ATOM 0 HB3 SER A 52 -7.505 0.046 2.129 1.00 0.00 H new ATOM 0 HG SER A 52 -9.173 -2.017 1.876 1.00 0.00 H new ATOM 657 N ALA A 53 -4.785 -1.975 -0.203 1.00 0.00 N ATOM 658 CA ALA A 53 -4.573 -2.200 -1.626 1.00 0.00 C ATOM 659 C ALA A 53 -3.732 -3.448 -1.869 1.00 0.00 C ATOM 660 O ALA A 53 -2.551 -3.489 -1.524 1.00 0.00 O ATOM 661 CB ALA A 53 -3.914 -0.986 -2.264 1.00 0.00 C ATOM 0 H ALA A 53 -3.934 -1.989 0.360 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.548 -2.355 -2.089 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.763 -1.171 -3.327 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.555 -0.114 -2.135 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.951 -0.802 -1.787 1.00 0.00 H new ATOM 667 N CYS A 54 -4.346 -4.464 -2.467 1.00 0.00 N ATOM 668 CA CYS A 54 -3.650 -5.712 -2.757 1.00 0.00 C ATOM 669 C CYS A 54 -3.083 -5.701 -4.175 1.00 0.00 C ATOM 670 O CYS A 54 -3.224 -6.673 -4.918 1.00 0.00 O ATOM 671 CB CYS A 54 -4.595 -6.904 -2.577 1.00 0.00 C ATOM 672 SG CYS A 54 -5.950 -6.977 -3.794 1.00 0.00 S ATOM 0 H CYS A 54 -5.323 -4.447 -2.760 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.821 -5.809 -2.056 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -4.015 -7.825 -2.640 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -5.023 -6.865 -1.575 1.00 0.00 H new ATOM 677 N GLY A 55 -2.442 -4.597 -4.541 1.00 0.00 N ATOM 678 CA GLY A 55 -1.863 -4.477 -5.866 1.00 0.00 C ATOM 679 C GLY A 55 -1.496 -3.047 -6.209 1.00 0.00 C ATOM 680 O GLY A 55 -1.536 -2.166 -5.349 1.00 0.00 O ATOM 0 H GLY A 55 -2.313 -3.781 -3.942 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.973 -5.103 -5.928 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.570 -4.855 -6.604 1.00 0.00 H new ATOM 684 N PHE A 56 -1.134 -2.814 -7.467 1.00 0.00 N ATOM 685 CA PHE A 56 -0.758 -1.480 -7.919 1.00 0.00 C ATOM 686 C PHE A 56 -0.982 -1.331 -9.421 1.00 0.00 C ATOM 687 O PHE A 56 -0.555 -2.175 -10.209 1.00 0.00 O ATOM 688 CB PHE A 56 0.705 -1.198 -7.579 1.00 0.00 C ATOM 689 CG PHE A 56 0.890 -0.487 -6.266 1.00 0.00 C ATOM 690 CD1 PHE A 56 0.350 0.772 -6.064 1.00 0.00 C ATOM 691 CD2 PHE A 56 1.605 -1.080 -5.237 1.00 0.00 C ATOM 692 CE1 PHE A 56 0.518 1.428 -4.859 1.00 0.00 C ATOM 693 CE2 PHE A 56 1.777 -0.429 -4.031 1.00 0.00 C ATOM 694 CZ PHE A 56 1.232 0.826 -3.842 1.00 0.00 C ATOM 0 H PHE A 56 -1.093 -3.532 -8.191 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.389 -0.757 -7.403 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.252 -2.141 -7.553 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.145 -0.596 -8.374 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.209 1.247 -6.857 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.032 -2.062 -5.380 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.092 2.410 -4.713 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.337 -0.901 -3.237 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.364 1.336 -2.899 1.00 0.00 H new ATOM 704 N ASP A 57 -1.652 -0.251 -9.810 1.00 0.00 N ATOM 705 CA ASP A 57 -1.931 0.010 -11.218 1.00 0.00 C ATOM 706 C ASP A 57 -2.319 1.469 -11.434 1.00 0.00 C ATOM 707 O ASP A 57 -2.903 2.104 -10.557 1.00 0.00 O ATOM 708 CB ASP A 57 -3.049 -0.907 -11.715 1.00 0.00 C ATOM 709 CG ASP A 57 -2.543 -2.283 -12.100 1.00 0.00 C ATOM 710 OD1 ASP A 57 -1.690 -2.369 -13.008 1.00 0.00 O ATOM 711 OD2 ASP A 57 -2.998 -3.274 -11.491 1.00 0.00 O ATOM 0 H ASP A 57 -2.012 0.457 -9.170 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.024 -0.193 -11.787 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.806 -1.006 -10.937 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.535 -0.448 -12.576 1.00 0.00 H new ATOM 716 N GLY A 58 -1.989 1.995 -12.610 1.00 0.00 N ATOM 717 CA GLY A 58 -2.311 3.375 -12.921 1.00 0.00 C ATOM 718 C GLY A 58 -3.595 3.509 -13.715 1.00 0.00 C ATOM 719 O GLY A 58 -3.763 4.456 -14.483 1.00 0.00 O ATOM 0 H GLY A 58 -1.505 1.490 -13.352 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.401 3.941 -11.994 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.491 3.817 -13.486 1.00 0.00 H new ATOM 723 N GLN A 59 -4.503 2.555 -13.532 1.00 0.00 N ATOM 724 CA GLN A 59 -5.779 2.569 -14.236 1.00 0.00 C ATOM 725 C GLN A 59 -6.774 1.622 -13.575 1.00 0.00 C ATOM 726 O GLN A 59 -7.935 1.974 -13.362 1.00 0.00 O ATOM 727 CB GLN A 59 -5.580 2.181 -15.703 1.00 0.00 C ATOM 728 CG GLN A 59 -5.548 3.372 -16.649 1.00 0.00 C ATOM 729 CD GLN A 59 -6.712 3.375 -17.622 1.00 0.00 C ATOM 730 OE1 GLN A 59 -6.962 2.388 -18.313 1.00 0.00 O ATOM 731 NE2 GLN A 59 -7.430 4.492 -17.682 1.00 0.00 N ATOM 0 H GLN A 59 -4.378 1.763 -12.902 1.00 0.00 H new ATOM 0 HA GLN A 59 -6.183 3.580 -14.188 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -4.647 1.626 -15.800 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -6.384 1.509 -16.005 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -5.563 4.294 -16.067 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -4.612 3.363 -17.208 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -7.187 5.287 -17.091 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -8.224 4.554 -18.319 1.00 0.00 H new ATOM 740 N THR A 60 -6.311 0.419 -13.251 1.00 0.00 N ATOM 741 CA THR A 60 -7.161 -0.580 -12.612 1.00 0.00 C ATOM 742 C THR A 60 -6.737 -0.804 -11.161 1.00 0.00 C ATOM 743 O THR A 60 -6.172 -1.845 -10.824 1.00 0.00 O ATOM 744 CB THR A 60 -7.102 -1.899 -13.384 1.00 0.00 C ATOM 745 OG1 THR A 60 -7.215 -1.669 -14.777 1.00 0.00 O ATOM 746 CG2 THR A 60 -8.193 -2.871 -12.990 1.00 0.00 C ATOM 0 H THR A 60 -5.353 0.112 -13.420 1.00 0.00 H new ATOM 0 HA THR A 60 -8.186 -0.210 -12.620 1.00 0.00 H new ATOM 0 HB THR A 60 -6.137 -2.339 -13.133 1.00 0.00 H new ATOM 0 HG1 THR A 60 -7.173 -2.524 -15.254 1.00 0.00 H new ATOM 0 HG21 THR A 60 -8.094 -3.786 -13.575 1.00 0.00 H new ATOM 0 HG22 THR A 60 -8.105 -3.107 -11.930 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.167 -2.422 -13.182 1.00 0.00 H new ATOM 754 N PRO A 61 -7.006 0.176 -10.282 1.00 0.00 N ATOM 755 CA PRO A 61 -6.651 0.082 -8.862 1.00 0.00 C ATOM 756 C PRO A 61 -7.470 -0.974 -8.129 1.00 0.00 C ATOM 757 O PRO A 61 -8.455 -1.489 -8.659 1.00 0.00 O ATOM 758 CB PRO A 61 -6.970 1.477 -8.321 1.00 0.00 C ATOM 759 CG PRO A 61 -8.005 2.015 -9.248 1.00 0.00 C ATOM 760 CD PRO A 61 -7.677 1.450 -10.601 1.00 0.00 C ATOM 0 HA PRO A 61 -5.612 -0.216 -8.721 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.342 1.429 -7.297 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.082 2.109 -8.309 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.005 1.718 -8.932 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.987 3.105 -9.264 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.574 1.293 -11.200 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -7.027 2.116 -11.169 1.00 0.00 H new ATOM 768 N LYS A 62 -7.060 -1.291 -6.904 1.00 0.00 N ATOM 769 CA LYS A 62 -7.756 -2.285 -6.098 1.00 0.00 C ATOM 770 C LYS A 62 -7.878 -1.823 -4.651 1.00 0.00 C ATOM 771 O LYS A 62 -7.136 -0.948 -4.204 1.00 0.00 O ATOM 772 CB LYS A 62 -7.022 -3.626 -6.157 1.00 0.00 C ATOM 773 CG LYS A 62 -6.940 -4.213 -7.558 1.00 0.00 C ATOM 774 CD LYS A 62 -8.223 -4.934 -7.937 1.00 0.00 C ATOM 775 CE LYS A 62 -8.306 -6.305 -7.283 1.00 0.00 C ATOM 776 NZ LYS A 62 -7.891 -7.389 -8.218 1.00 0.00 N ATOM 0 H LYS A 62 -6.249 -0.873 -6.449 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.759 -2.410 -6.507 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.013 -3.496 -5.767 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.527 -4.337 -5.503 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.743 -3.417 -8.276 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -6.101 -4.907 -7.614 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.082 -4.334 -7.636 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.274 -5.043 -9.020 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.670 -6.325 -6.398 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.327 -6.486 -6.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.961 -8.308 -7.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -8.514 -7.386 -9.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.908 -7.230 -8.520 1.00 0.00 H new ATOM 790 N VAL A 63 -8.817 -2.416 -3.921 1.00 0.00 N ATOM 791 CA VAL A 63 -9.036 -2.066 -2.524 1.00 0.00 C ATOM 792 C VAL A 63 -9.376 -3.300 -1.696 1.00 0.00 C ATOM 793 O VAL A 63 -10.008 -4.235 -2.189 1.00 0.00 O ATOM 794 CB VAL A 63 -10.170 -1.035 -2.375 1.00 0.00 C ATOM 795 CG1 VAL A 63 -10.251 -0.533 -0.941 1.00 0.00 C ATOM 796 CG2 VAL A 63 -9.970 0.122 -3.341 1.00 0.00 C ATOM 0 H VAL A 63 -9.439 -3.142 -4.275 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.107 -1.629 -2.158 1.00 0.00 H new ATOM 0 HB VAL A 63 -11.114 -1.523 -2.619 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -11.058 0.195 -0.855 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -10.446 -1.372 -0.272 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.307 -0.062 -0.667 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.781 0.840 -3.221 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -9.018 0.611 -3.131 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.967 -0.254 -4.364 1.00 0.00 H new ATOM 806 N CYS A 64 -8.955 -3.303 -0.432 1.00 0.00 N ATOM 807 CA CYS A 64 -9.223 -4.428 0.454 1.00 0.00 C ATOM 808 C CYS A 64 -10.394 -4.122 1.382 1.00 0.00 C ATOM 809 O CYS A 64 -10.383 -3.132 2.114 1.00 0.00 O ATOM 810 CB CYS A 64 -7.980 -4.764 1.280 1.00 0.00 C ATOM 811 SG CYS A 64 -6.877 -5.989 0.501 1.00 0.00 S ATOM 0 H CYS A 64 -8.430 -2.541 -0.003 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.484 -5.288 -0.163 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -7.418 -3.848 1.460 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -8.295 -5.141 2.253 1.00 0.00 H new ATOM 816 N CYS A 65 -11.405 -4.984 1.344 1.00 0.00 N ATOM 817 CA CYS A 65 -12.590 -4.821 2.175 1.00 0.00 C ATOM 818 C CYS A 65 -12.782 -6.036 3.083 1.00 0.00 C ATOM 819 O CYS A 65 -13.019 -7.144 2.603 1.00 0.00 O ATOM 820 CB CYS A 65 -13.828 -4.632 1.295 1.00 0.00 C ATOM 821 SG CYS A 65 -14.222 -2.891 0.922 1.00 0.00 S ATOM 0 H CYS A 65 -11.426 -5.807 0.742 1.00 0.00 H new ATOM 0 HA CYS A 65 -12.454 -3.937 2.798 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -13.679 -5.168 0.358 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -14.685 -5.089 1.790 1.00 0.00 H new ATOM 826 N PRO A 66 -12.679 -5.849 4.413 1.00 0.00 N ATOM 827 CA PRO A 66 -12.844 -6.945 5.374 1.00 0.00 C ATOM 828 C PRO A 66 -14.263 -7.506 5.379 1.00 0.00 C ATOM 829 O PRO A 66 -14.460 -8.721 5.352 1.00 0.00 O ATOM 830 CB PRO A 66 -12.523 -6.295 6.724 1.00 0.00 C ATOM 831 CG PRO A 66 -12.762 -4.839 6.514 1.00 0.00 C ATOM 832 CD PRO A 66 -12.400 -4.566 5.082 1.00 0.00 C ATOM 0 HA PRO A 66 -12.203 -7.793 5.132 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -13.161 -6.690 7.515 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.492 -6.488 7.020 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -13.803 -4.582 6.710 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -12.153 -4.241 7.192 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -12.997 -3.756 4.663 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -11.354 -4.277 4.979 1.00 0.00 H new