USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=11 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 14 THR OG1 : rot 180:sc= -1.05 USER MOD Set 1.2: A 18 ASN : amide:sc= -0.1 X(o=-1.1,f=-1.3) USER MOD Set 2.1: A 11 GLN : amide:sc= -0.211 K(o=-0.069,f=-1.5!) USER MOD Set 2.2: A 62 LYS NZ :NH3+ -122:sc= 0.142 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) 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+ 154:sc= -0.0477 (180deg=-0.952) USER MOD Single : A 25 SER OG : rot 44:sc= -0.417 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 33 SER OG : rot -45:sc= 1.16 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.13 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0.24) USER MOD Single : A 47 LYS NZ :NH3+ 146:sc= 0 (180deg=-0.206) USER MOD Single : A 52 SER OG : rot 102:sc= 1.22 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 11 -11.797 -11.012 -4.866 1.00 0.00 N ATOM 2 CA GLN A 11 -10.510 -11.550 -4.352 1.00 0.00 C ATOM 3 C GLN A 11 -10.385 -11.336 -2.847 1.00 0.00 C ATOM 4 O GLN A 11 -10.841 -10.324 -2.315 1.00 0.00 O ATOM 5 CB GLN A 11 -9.363 -10.848 -5.084 1.00 0.00 C ATOM 6 CG GLN A 11 -8.309 -11.804 -5.621 1.00 0.00 C ATOM 7 CD GLN A 11 -8.099 -11.663 -7.115 1.00 0.00 C ATOM 8 OE1 GLN A 11 -8.398 -10.622 -7.701 1.00 0.00 O ATOM 9 NE2 GLN A 11 -7.585 -12.714 -7.743 1.00 0.00 N ATOM 0 HA GLN A 11 -10.471 -12.624 -4.534 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -9.772 -10.269 -5.912 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -8.888 -10.141 -4.404 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -7.365 -11.624 -5.107 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.604 -12.829 -5.395 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.351 -13.557 -7.219 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -7.424 -12.678 -8.750 1.00 0.00 H new ATOM 18 N ALA A 12 -9.766 -12.294 -2.166 1.00 0.00 N ATOM 19 CA ALA A 12 -9.582 -12.209 -0.724 1.00 0.00 C ATOM 20 C ALA A 12 -8.191 -11.687 -0.378 1.00 0.00 C ATOM 21 O ALA A 12 -7.184 -12.312 -0.706 1.00 0.00 O ATOM 22 CB ALA A 12 -9.812 -13.567 -0.080 1.00 0.00 C ATOM 0 H ALA A 12 -9.383 -13.139 -2.591 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.315 -11.505 -0.331 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.671 -13.487 0.998 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.828 -13.901 -0.289 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.102 -14.287 -0.487 1.00 0.00 H new ATOM 28 N CYS A 13 -8.145 -10.535 0.285 1.00 0.00 N ATOM 29 CA CYS A 13 -6.878 -9.928 0.675 1.00 0.00 C ATOM 30 C CYS A 13 -6.831 -9.703 2.184 1.00 0.00 C ATOM 31 O CYS A 13 -7.866 -9.662 2.849 1.00 0.00 O ATOM 32 CB CYS A 13 -6.673 -8.612 -0.093 1.00 0.00 C ATOM 33 SG CYS A 13 -6.144 -7.181 0.916 1.00 0.00 S ATOM 0 H CYS A 13 -8.970 -10.004 0.563 1.00 0.00 H new ATOM 0 HA CYS A 13 -6.064 -10.606 0.419 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.929 -8.779 -0.872 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -7.607 -8.355 -0.594 1.00 0.00 H new ATOM 38 N THR A 14 -5.623 -9.559 2.717 1.00 0.00 N ATOM 39 CA THR A 14 -5.439 -9.339 4.147 1.00 0.00 C ATOM 40 C THR A 14 -5.338 -7.851 4.461 1.00 0.00 C ATOM 41 O THR A 14 -4.401 -7.177 4.031 1.00 0.00 O ATOM 42 CB THR A 14 -4.183 -10.062 4.635 1.00 0.00 C ATOM 43 OG1 THR A 14 -3.955 -9.800 6.008 1.00 0.00 O ATOM 44 CG2 THR A 14 -2.933 -9.667 3.879 1.00 0.00 C ATOM 0 H THR A 14 -4.756 -9.591 2.180 1.00 0.00 H new ATOM 0 HA THR A 14 -6.308 -9.742 4.667 1.00 0.00 H new ATOM 0 HB THR A 14 -4.374 -11.121 4.461 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.148 -10.272 6.302 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.079 -10.216 4.275 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.057 -9.903 2.822 1.00 0.00 H new ATOM 0 HG23 THR A 14 -2.761 -8.597 3.994 1.00 0.00 H new ATOM 52 N LEU A 15 -6.306 -7.345 5.216 1.00 0.00 N ATOM 53 CA LEU A 15 -6.326 -5.935 5.594 1.00 0.00 C ATOM 54 C LEU A 15 -5.085 -5.579 6.408 1.00 0.00 C ATOM 55 O LEU A 15 -4.415 -6.461 6.946 1.00 0.00 O ATOM 56 CB LEU A 15 -7.589 -5.618 6.401 1.00 0.00 C ATOM 57 CG LEU A 15 -8.008 -6.695 7.407 1.00 0.00 C ATOM 58 CD1 LEU A 15 -8.445 -6.060 8.718 1.00 0.00 C ATOM 59 CD2 LEU A 15 -9.122 -7.558 6.832 1.00 0.00 C ATOM 0 H LEU A 15 -7.088 -7.890 5.579 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.329 -5.337 4.683 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.432 -4.683 6.939 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.413 -5.452 5.706 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.147 -7.334 7.606 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.739 -6.840 9.420 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.618 -5.487 9.138 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.291 -5.397 8.537 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.407 -8.317 7.560 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.985 -6.933 6.603 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.773 -8.043 5.920 1.00 0.00 H new ATOM 71 N PRO A 16 -4.759 -4.278 6.512 1.00 0.00 N ATOM 72 CA PRO A 16 -3.593 -3.814 7.270 1.00 0.00 C ATOM 73 C PRO A 16 -3.553 -4.402 8.677 1.00 0.00 C ATOM 74 O PRO A 16 -2.484 -4.534 9.274 1.00 0.00 O ATOM 75 CB PRO A 16 -3.769 -2.287 7.326 1.00 0.00 C ATOM 76 CG PRO A 16 -5.154 -2.020 6.828 1.00 0.00 C ATOM 77 CD PRO A 16 -5.493 -3.158 5.911 1.00 0.00 C ATOM 0 HA PRO A 16 -2.658 -4.122 6.802 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -3.640 -1.915 8.342 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -3.026 -1.784 6.706 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.861 -1.962 7.655 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.202 -1.067 6.301 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.566 -3.347 5.878 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -5.172 -2.964 4.888 1.00 0.00 H new ATOM 85 N ASN A 17 -4.723 -4.759 9.199 1.00 0.00 N ATOM 86 CA ASN A 17 -4.820 -5.341 10.533 1.00 0.00 C ATOM 87 C ASN A 17 -4.515 -6.838 10.502 1.00 0.00 C ATOM 88 O ASN A 17 -4.205 -7.439 11.530 1.00 0.00 O ATOM 89 CB ASN A 17 -6.215 -5.101 11.114 1.00 0.00 C ATOM 90 CG ASN A 17 -6.169 -4.428 12.471 1.00 0.00 C ATOM 91 OD1 ASN A 17 -6.169 -5.093 13.507 1.00 0.00 O ATOM 92 ND2 ASN A 17 -6.128 -3.100 12.474 1.00 0.00 N ATOM 0 H ASN A 17 -5.617 -4.655 8.718 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.080 -4.855 11.169 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.791 -4.484 10.425 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.738 -6.053 11.202 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -6.095 -2.593 13.358 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -6.130 -2.588 11.592 1.00 0.00 H new ATOM 99 N ASN A 18 -4.607 -7.435 9.313 1.00 0.00 N ATOM 100 CA ASN A 18 -4.341 -8.860 9.144 1.00 0.00 C ATOM 101 C ASN A 18 -5.428 -9.701 9.806 1.00 0.00 C ATOM 102 O ASN A 18 -5.253 -10.197 10.918 1.00 0.00 O ATOM 103 CB ASN A 18 -2.973 -9.225 9.726 1.00 0.00 C ATOM 104 CG ASN A 18 -1.883 -8.266 9.285 1.00 0.00 C ATOM 105 OD1 ASN A 18 -1.457 -7.399 10.049 1.00 0.00 O ATOM 106 ND2 ASN A 18 -1.428 -8.416 8.047 1.00 0.00 N ATOM 0 H ASN A 18 -4.864 -6.951 8.453 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.340 -9.075 8.075 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -3.033 -9.227 10.814 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -2.709 -10.237 9.419 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.696 -7.799 7.694 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.810 -9.148 7.448 1.00 0.00 H new ATOM 113 N ASP A 19 -6.550 -9.861 9.110 1.00 0.00 N ATOM 114 CA ASP A 19 -7.665 -10.646 9.628 1.00 0.00 C ATOM 115 C ASP A 19 -8.498 -11.235 8.492 1.00 0.00 C ATOM 116 O ASP A 19 -9.674 -11.544 8.671 1.00 0.00 O ATOM 117 CB ASP A 19 -8.549 -9.782 10.528 1.00 0.00 C ATOM 118 CG ASP A 19 -9.108 -10.555 11.705 1.00 0.00 C ATOM 119 OD1 ASP A 19 -8.478 -11.553 12.113 1.00 0.00 O ATOM 120 OD2 ASP A 19 -10.176 -10.162 12.221 1.00 0.00 O ATOM 0 H ASP A 19 -6.711 -9.458 8.187 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.253 -11.468 10.213 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -7.970 -8.935 10.896 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.372 -9.375 9.941 1.00 0.00 H new ATOM 125 N LYS A 20 -7.878 -11.389 7.324 1.00 0.00 N ATOM 126 CA LYS A 20 -8.562 -11.943 6.160 1.00 0.00 C ATOM 127 C LYS A 20 -9.728 -11.053 5.736 1.00 0.00 C ATOM 128 O LYS A 20 -10.536 -10.636 6.564 1.00 0.00 O ATOM 129 CB LYS A 20 -9.067 -13.354 6.461 1.00 0.00 C ATOM 130 CG LYS A 20 -8.033 -14.237 7.141 1.00 0.00 C ATOM 131 CD LYS A 20 -6.796 -14.417 6.275 1.00 0.00 C ATOM 132 CE LYS A 20 -5.519 -14.227 7.077 1.00 0.00 C ATOM 133 NZ LYS A 20 -4.367 -14.947 6.467 1.00 0.00 N ATOM 0 H LYS A 20 -6.903 -11.138 7.160 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.846 -11.988 5.339 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -9.950 -13.287 7.096 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.380 -13.826 5.529 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.748 -13.796 8.096 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.471 -15.211 7.358 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.803 -15.413 5.832 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.820 -13.702 5.453 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.288 -13.164 7.145 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.673 -14.585 8.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.516 -14.792 7.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.576 -15.965 6.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.203 -14.588 5.505 1.00 0.00 H new ATOM 147 N GLY A 21 -9.807 -10.770 4.440 1.00 0.00 N ATOM 148 CA GLY A 21 -10.877 -9.932 3.930 1.00 0.00 C ATOM 149 C GLY A 21 -11.069 -10.074 2.432 1.00 0.00 C ATOM 150 O GLY A 21 -10.638 -11.061 1.834 1.00 0.00 O ATOM 0 H GLY A 21 -9.151 -11.105 3.735 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -11.807 -10.189 4.437 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -10.661 -8.890 4.167 1.00 0.00 H new ATOM 154 N THR A 22 -11.718 -9.085 1.830 1.00 0.00 N ATOM 155 CA THR A 22 -11.976 -9.091 0.392 1.00 0.00 C ATOM 156 C THR A 22 -11.533 -7.777 -0.234 1.00 0.00 C ATOM 157 O THR A 22 -11.840 -6.710 0.284 1.00 0.00 O ATOM 158 CB THR A 22 -13.464 -9.299 0.128 1.00 0.00 C ATOM 159 OG1 THR A 22 -14.015 -10.220 1.053 1.00 0.00 O ATOM 160 CG2 THR A 22 -13.760 -9.812 -1.265 1.00 0.00 C ATOM 0 H THR A 22 -12.078 -8.264 2.317 1.00 0.00 H new ATOM 0 HA THR A 22 -11.409 -9.908 -0.054 1.00 0.00 H new ATOM 0 HB THR A 22 -13.916 -8.313 0.237 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.970 -10.338 0.868 1.00 0.00 H new ATOM 0 HG21 THR A 22 -14.836 -9.938 -1.385 1.00 0.00 H new ATOM 0 HG22 THR A 22 -13.393 -9.097 -2.002 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.264 -10.771 -1.412 1.00 0.00 H new ATOM 168 N CYS A 23 -10.820 -7.853 -1.353 1.00 0.00 N ATOM 169 CA CYS A 23 -10.353 -6.648 -2.029 1.00 0.00 C ATOM 170 C CYS A 23 -10.928 -6.538 -3.436 1.00 0.00 C ATOM 171 O CYS A 23 -10.875 -7.485 -4.221 1.00 0.00 O ATOM 172 CB CYS A 23 -8.824 -6.614 -2.083 1.00 0.00 C ATOM 173 SG CYS A 23 -8.082 -7.887 -3.154 1.00 0.00 S ATOM 0 H CYS A 23 -10.555 -8.727 -1.807 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.705 -5.794 -1.451 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -8.506 -5.632 -2.433 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -8.434 -6.734 -1.072 1.00 0.00 H new ATOM 178 N LYS A 24 -11.477 -5.368 -3.742 1.00 0.00 N ATOM 179 CA LYS A 24 -12.067 -5.106 -5.048 1.00 0.00 C ATOM 180 C LYS A 24 -11.829 -3.655 -5.450 1.00 0.00 C ATOM 181 O LYS A 24 -11.387 -2.844 -4.638 1.00 0.00 O ATOM 182 CB LYS A 24 -13.568 -5.405 -5.025 1.00 0.00 C ATOM 183 CG LYS A 24 -14.317 -4.677 -3.920 1.00 0.00 C ATOM 184 CD LYS A 24 -15.645 -5.350 -3.612 1.00 0.00 C ATOM 185 CE LYS A 24 -15.457 -6.573 -2.730 1.00 0.00 C ATOM 186 NZ LYS A 24 -15.012 -6.206 -1.356 1.00 0.00 N ATOM 0 H LYS A 24 -11.525 -4.580 -3.096 1.00 0.00 H new ATOM 0 HA LYS A 24 -11.592 -5.758 -5.781 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -14.000 -5.130 -5.987 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -13.714 -6.478 -4.905 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.704 -4.650 -3.019 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -14.492 -3.643 -4.217 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -16.307 -4.641 -3.116 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -16.131 -5.642 -4.543 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -16.395 -7.126 -2.672 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.722 -7.238 -3.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.307 -6.945 -0.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -13.976 -6.117 -1.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.442 -5.299 -1.082 1.00 0.00 H new ATOM 200 N SER A 25 -12.122 -3.331 -6.707 1.00 0.00 N ATOM 201 CA SER A 25 -11.937 -1.973 -7.207 1.00 0.00 C ATOM 202 C SER A 25 -12.578 -0.954 -6.269 1.00 0.00 C ATOM 203 O SER A 25 -13.218 -1.320 -5.283 1.00 0.00 O ATOM 204 CB SER A 25 -12.532 -1.839 -8.610 1.00 0.00 C ATOM 205 OG SER A 25 -12.025 -0.693 -9.272 1.00 0.00 O ATOM 0 H SER A 25 -12.487 -3.989 -7.396 1.00 0.00 H new ATOM 0 HA SER A 25 -10.867 -1.772 -7.253 1.00 0.00 H new ATOM 0 HB2 SER A 25 -12.302 -2.731 -9.193 1.00 0.00 H new ATOM 0 HB3 SER A 25 -13.618 -1.773 -8.543 1.00 0.00 H new ATOM 0 HG SER A 25 -11.058 -0.630 -9.123 1.00 0.00 H new ATOM 211 N LEU A 26 -12.409 0.324 -6.584 1.00 0.00 N ATOM 212 CA LEU A 26 -12.975 1.391 -5.766 1.00 0.00 C ATOM 213 C LEU A 26 -14.381 1.758 -6.235 1.00 0.00 C ATOM 214 O LEU A 26 -14.805 2.907 -6.112 1.00 0.00 O ATOM 215 CB LEU A 26 -12.073 2.626 -5.805 1.00 0.00 C ATOM 216 CG LEU A 26 -11.791 3.179 -7.206 1.00 0.00 C ATOM 217 CD1 LEU A 26 -12.567 4.467 -7.440 1.00 0.00 C ATOM 218 CD2 LEU A 26 -10.300 3.413 -7.399 1.00 0.00 C ATOM 0 H LEU A 26 -11.886 0.647 -7.398 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.040 1.028 -4.740 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.533 3.412 -5.206 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.123 2.379 -5.331 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.121 2.441 -7.937 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -12.353 4.844 -8.440 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -13.635 4.270 -7.347 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.269 5.211 -6.701 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.120 3.806 -8.400 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.945 4.130 -6.659 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.765 2.471 -7.277 1.00 0.00 H new ATOM 230 N LEU A 27 -15.100 0.778 -6.775 1.00 0.00 N ATOM 231 CA LEU A 27 -16.458 1.003 -7.257 1.00 0.00 C ATOM 232 C LEU A 27 -17.329 -0.225 -7.012 1.00 0.00 C ATOM 233 O LEU A 27 -18.244 -0.512 -7.785 1.00 0.00 O ATOM 234 CB LEU A 27 -16.445 1.342 -8.749 1.00 0.00 C ATOM 235 CG LEU A 27 -15.323 2.284 -9.192 1.00 0.00 C ATOM 236 CD1 LEU A 27 -14.121 1.490 -9.682 1.00 0.00 C ATOM 237 CD2 LEU A 27 -15.817 3.228 -10.279 1.00 0.00 C ATOM 0 H LEU A 27 -14.765 -0.178 -6.889 1.00 0.00 H new ATOM 0 HA LEU A 27 -16.878 1.844 -6.705 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -16.364 0.414 -9.316 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -17.402 1.793 -9.011 1.00 0.00 H new ATOM 0 HG LEU A 27 -15.015 2.879 -8.332 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.334 2.177 -9.993 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.752 0.855 -8.877 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -14.416 0.869 -10.528 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.006 3.890 -10.582 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.153 2.649 -11.139 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.647 3.822 -9.896 1.00 0.00 H new ATOM 249 N GLN A 28 -17.036 -0.948 -5.937 1.00 0.00 N ATOM 250 CA GLN A 28 -17.792 -2.148 -5.596 1.00 0.00 C ATOM 251 C GLN A 28 -18.145 -2.171 -4.111 1.00 0.00 C ATOM 252 O GLN A 28 -19.312 -2.305 -3.744 1.00 0.00 O ATOM 253 CB GLN A 28 -16.994 -3.400 -5.959 1.00 0.00 C ATOM 254 CG GLN A 28 -16.772 -3.567 -7.454 1.00 0.00 C ATOM 255 CD GLN A 28 -17.669 -4.629 -8.061 1.00 0.00 C ATOM 256 OE1 GLN A 28 -18.839 -4.752 -7.698 1.00 0.00 O ATOM 257 NE2 GLN A 28 -17.122 -5.404 -8.990 1.00 0.00 N ATOM 0 H GLN A 28 -16.282 -0.725 -5.287 1.00 0.00 H new ATOM 0 HA GLN A 28 -18.718 -2.135 -6.170 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -16.027 -3.362 -5.458 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -17.516 -4.277 -5.577 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -16.953 -2.615 -7.953 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -15.730 -3.829 -7.636 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -16.148 -5.266 -9.260 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -17.676 -6.137 -9.434 1.00 0.00 H new ATOM 266 N CYS A 29 -17.130 -2.042 -3.261 1.00 0.00 N ATOM 267 CA CYS A 29 -17.340 -2.050 -1.818 1.00 0.00 C ATOM 268 C CYS A 29 -18.193 -0.864 -1.384 1.00 0.00 C ATOM 269 O CYS A 29 -17.992 0.260 -1.843 1.00 0.00 O ATOM 270 CB CYS A 29 -16.001 -2.023 -1.079 1.00 0.00 C ATOM 271 SG CYS A 29 -16.103 -2.567 0.657 1.00 0.00 S ATOM 0 H CYS A 29 -16.157 -1.931 -3.546 1.00 0.00 H new ATOM 0 HA CYS A 29 -17.867 -2.969 -1.564 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -15.293 -2.661 -1.608 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -15.601 -1.009 -1.109 1.00 0.00 H new ATOM 276 N ASP A 30 -19.145 -1.122 -0.493 1.00 0.00 N ATOM 277 CA ASP A 30 -20.028 -0.075 0.006 1.00 0.00 C ATOM 278 C ASP A 30 -19.229 1.009 0.723 1.00 0.00 C ATOM 279 O ASP A 30 -19.604 2.182 0.711 1.00 0.00 O ATOM 280 CB ASP A 30 -21.072 -0.667 0.953 1.00 0.00 C ATOM 281 CG ASP A 30 -22.476 -0.187 0.640 1.00 0.00 C ATOM 282 OD1 ASP A 30 -22.614 0.932 0.104 1.00 0.00 O ATOM 283 OD2 ASP A 30 -23.437 -0.930 0.930 1.00 0.00 O ATOM 0 H ASP A 30 -19.324 -2.047 -0.102 1.00 0.00 H new ATOM 0 HA ASP A 30 -20.537 0.375 -0.846 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -21.040 -1.755 0.890 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -20.820 -0.400 1.979 1.00 0.00 H new ATOM 288 N VAL A 31 -18.125 0.609 1.345 1.00 0.00 N ATOM 289 CA VAL A 31 -17.273 1.545 2.066 1.00 0.00 C ATOM 290 C VAL A 31 -16.543 2.472 1.101 1.00 0.00 C ATOM 291 O VAL A 31 -16.404 3.668 1.353 1.00 0.00 O ATOM 292 CB VAL A 31 -16.236 0.810 2.939 1.00 0.00 C ATOM 293 CG1 VAL A 31 -15.457 1.796 3.794 1.00 0.00 C ATOM 294 CG2 VAL A 31 -16.917 -0.238 3.808 1.00 0.00 C ATOM 0 H VAL A 31 -17.800 -0.358 1.364 1.00 0.00 H new ATOM 0 HA VAL A 31 -17.925 2.133 2.712 1.00 0.00 H new ATOM 0 HB VAL A 31 -15.531 0.303 2.280 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -14.731 1.256 4.402 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -14.936 2.504 3.150 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -16.145 2.336 4.445 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -16.170 -0.747 4.417 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -17.647 0.246 4.457 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -17.423 -0.965 3.172 1.00 0.00 H new ATOM 304 N ALA A 32 -16.079 1.913 -0.008 1.00 0.00 N ATOM 305 CA ALA A 32 -15.366 2.692 -1.012 1.00 0.00 C ATOM 306 C ALA A 32 -16.282 3.727 -1.655 1.00 0.00 C ATOM 307 O ALA A 32 -15.859 4.837 -1.968 1.00 0.00 O ATOM 308 CB ALA A 32 -14.773 1.775 -2.071 1.00 0.00 C ATOM 0 H ALA A 32 -16.183 0.924 -0.236 1.00 0.00 H new ATOM 0 HA ALA A 32 -14.554 3.223 -0.515 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -14.244 2.372 -2.814 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -14.077 1.079 -1.602 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -15.572 1.216 -2.557 1.00 0.00 H new ATOM 314 N SER A 33 -17.540 3.349 -1.856 1.00 0.00 N ATOM 315 CA SER A 33 -18.520 4.238 -2.469 1.00 0.00 C ATOM 316 C SER A 33 -18.854 5.415 -1.557 1.00 0.00 C ATOM 317 O SER A 33 -19.074 6.532 -2.029 1.00 0.00 O ATOM 318 CB SER A 33 -19.795 3.465 -2.808 1.00 0.00 C ATOM 319 OG SER A 33 -20.526 3.147 -1.634 1.00 0.00 O ATOM 0 H SER A 33 -17.905 2.431 -1.603 1.00 0.00 H new ATOM 0 HA SER A 33 -18.082 4.634 -3.385 1.00 0.00 H new ATOM 0 HB2 SER A 33 -20.417 4.059 -3.478 1.00 0.00 H new ATOM 0 HB3 SER A 33 -19.538 2.549 -3.340 1.00 0.00 H new ATOM 0 HG SER A 33 -19.914 2.800 -0.952 1.00 0.00 H new ATOM 325 N LYS A 34 -18.898 5.162 -0.255 1.00 0.00 N ATOM 326 CA LYS A 34 -19.214 6.207 0.712 1.00 0.00 C ATOM 327 C LYS A 34 -18.079 7.222 0.815 1.00 0.00 C ATOM 328 O LYS A 34 -18.315 8.409 1.040 1.00 0.00 O ATOM 329 CB LYS A 34 -19.512 5.599 2.087 1.00 0.00 C ATOM 330 CG LYS A 34 -18.300 4.989 2.770 1.00 0.00 C ATOM 331 CD LYS A 34 -18.413 5.068 4.284 1.00 0.00 C ATOM 332 CE LYS A 34 -17.316 4.268 4.967 1.00 0.00 C ATOM 333 NZ LYS A 34 -16.589 5.077 5.983 1.00 0.00 N ATOM 0 H LYS A 34 -18.720 4.245 0.155 1.00 0.00 H new ATOM 0 HA LYS A 34 -20.105 6.728 0.361 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -19.928 6.373 2.732 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -20.278 4.831 1.975 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -18.196 3.947 2.466 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -17.398 5.508 2.444 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -18.356 6.110 4.600 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -19.387 4.693 4.597 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -17.751 3.390 5.445 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -16.611 3.906 4.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.849 4.495 6.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -16.152 5.901 5.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -17.257 5.401 6.711 1.00 0.00 H new ATOM 347 N ILE A 35 -16.847 6.751 0.648 1.00 0.00 N ATOM 348 CA ILE A 35 -15.681 7.623 0.723 1.00 0.00 C ATOM 349 C ILE A 35 -15.615 8.551 -0.486 1.00 0.00 C ATOM 350 O ILE A 35 -15.207 9.706 -0.373 1.00 0.00 O ATOM 351 CB ILE A 35 -14.371 6.812 0.814 1.00 0.00 C ATOM 352 CG1 ILE A 35 -14.433 5.837 1.992 1.00 0.00 C ATOM 353 CG2 ILE A 35 -13.173 7.742 0.954 1.00 0.00 C ATOM 354 CD1 ILE A 35 -13.580 4.602 1.799 1.00 0.00 C ATOM 0 H ILE A 35 -16.631 5.772 0.460 1.00 0.00 H new ATOM 0 HA ILE A 35 -15.788 8.218 1.630 1.00 0.00 H new ATOM 0 HB ILE A 35 -14.253 6.240 -0.106 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -14.112 6.353 2.897 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -15.468 5.533 2.148 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -12.259 7.151 1.017 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -13.121 8.401 0.087 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.281 8.341 1.859 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -13.672 3.956 2.672 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -13.915 4.064 0.912 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -12.538 4.896 1.673 1.00 0.00 H new ATOM 366 N ILE A 36 -16.020 8.036 -1.640 1.00 0.00 N ATOM 367 CA ILE A 36 -16.010 8.819 -2.872 1.00 0.00 C ATOM 368 C ILE A 36 -17.141 9.843 -2.881 1.00 0.00 C ATOM 369 O ILE A 36 -17.025 10.903 -3.496 1.00 0.00 O ATOM 370 CB ILE A 36 -16.136 7.910 -4.112 1.00 0.00 C ATOM 371 CG1 ILE A 36 -15.013 6.868 -4.120 1.00 0.00 C ATOM 372 CG2 ILE A 36 -16.117 8.738 -5.391 1.00 0.00 C ATOM 373 CD1 ILE A 36 -13.658 7.435 -4.491 1.00 0.00 C ATOM 0 H ILE A 36 -16.359 7.080 -1.750 1.00 0.00 H new ATOM 0 HA ILE A 36 -15.055 9.342 -2.911 1.00 0.00 H new ATOM 0 HB ILE A 36 -17.091 7.387 -4.065 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -14.947 6.410 -3.133 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -15.270 6.075 -4.823 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -16.207 8.077 -6.253 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -16.951 9.440 -5.383 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -15.179 9.290 -5.453 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.914 6.639 -4.475 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -13.706 7.867 -5.490 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -13.378 8.207 -3.775 1.00 0.00 H new ATOM 385 N SER A 37 -18.233 9.521 -2.194 1.00 0.00 N ATOM 386 CA SER A 37 -19.383 10.415 -2.126 1.00 0.00 C ATOM 387 C SER A 37 -19.245 11.392 -0.961 1.00 0.00 C ATOM 388 O SER A 37 -19.730 12.521 -1.025 1.00 0.00 O ATOM 389 CB SER A 37 -20.674 9.607 -1.976 1.00 0.00 C ATOM 390 OG SER A 37 -21.778 10.454 -1.704 1.00 0.00 O ATOM 0 H SER A 37 -18.345 8.649 -1.677 1.00 0.00 H new ATOM 0 HA SER A 37 -19.423 10.986 -3.054 1.00 0.00 H new ATOM 0 HB2 SER A 37 -20.861 9.042 -2.889 1.00 0.00 H new ATOM 0 HB3 SER A 37 -20.561 8.882 -1.170 1.00 0.00 H new ATOM 0 HG SER A 37 -22.591 9.914 -1.614 1.00 0.00 H new ATOM 396 N LYS A 38 -18.581 10.949 0.102 1.00 0.00 N ATOM 397 CA LYS A 38 -18.381 11.783 1.280 1.00 0.00 C ATOM 398 C LYS A 38 -17.392 12.907 0.992 1.00 0.00 C ATOM 399 O LYS A 38 -17.756 14.083 0.982 1.00 0.00 O ATOM 400 CB LYS A 38 -17.880 10.938 2.452 1.00 0.00 C ATOM 401 CG LYS A 38 -18.998 10.360 3.306 1.00 0.00 C ATOM 402 CD LYS A 38 -19.143 11.112 4.620 1.00 0.00 C ATOM 403 CE LYS A 38 -19.825 12.458 4.423 1.00 0.00 C ATOM 404 NZ LYS A 38 -21.106 12.545 5.177 1.00 0.00 N ATOM 0 H LYS A 38 -18.173 10.017 0.171 1.00 0.00 H new ATOM 0 HA LYS A 38 -19.341 12.227 1.544 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -17.270 10.122 2.066 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -17.233 11.550 3.080 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -19.938 10.404 2.755 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -18.796 9.308 3.508 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -19.720 10.510 5.322 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -18.159 11.264 5.064 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -19.157 13.255 4.749 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -20.017 12.616 3.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -21.540 13.476 5.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -21.753 11.800 4.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -20.920 12.419 6.193 1.00 0.00 H new ATOM 418 N LYS A 39 -16.143 12.532 0.759 1.00 0.00 N ATOM 419 CA LYS A 39 -15.092 13.503 0.471 1.00 0.00 C ATOM 420 C LYS A 39 -13.773 12.804 0.175 1.00 0.00 C ATOM 421 O LYS A 39 -12.905 12.702 1.044 1.00 0.00 O ATOM 422 CB LYS A 39 -14.913 14.464 1.647 1.00 0.00 C ATOM 423 CG LYS A 39 -15.040 13.800 3.008 1.00 0.00 C ATOM 424 CD LYS A 39 -15.199 14.826 4.118 1.00 0.00 C ATOM 425 CE LYS A 39 -14.308 14.505 5.307 1.00 0.00 C ATOM 426 NZ LYS A 39 -14.795 15.153 6.557 1.00 0.00 N ATOM 0 H LYS A 39 -15.830 11.561 0.763 1.00 0.00 H new ATOM 0 HA LYS A 39 -15.393 14.069 -0.410 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.933 14.935 1.573 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -15.655 15.259 1.570 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.898 13.128 3.007 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.158 13.190 3.200 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.954 15.817 3.736 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -16.240 14.856 4.440 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -14.268 13.425 5.450 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -13.291 14.837 5.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -14.160 14.910 7.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -14.809 16.185 6.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.756 14.817 6.770 1.00 0.00 H new ATOM 440 N PRO A 40 -13.600 12.308 -1.058 1.00 0.00 N ATOM 441 CA PRO A 40 -12.380 11.615 -1.459 1.00 0.00 C ATOM 442 C PRO A 40 -11.255 12.580 -1.821 1.00 0.00 C ATOM 443 O PRO A 40 -11.044 12.888 -2.994 1.00 0.00 O ATOM 444 CB PRO A 40 -12.826 10.824 -2.685 1.00 0.00 C ATOM 445 CG PRO A 40 -13.897 11.663 -3.297 1.00 0.00 C ATOM 446 CD PRO A 40 -14.582 12.377 -2.159 1.00 0.00 C ATOM 0 HA PRO A 40 -11.971 10.999 -0.658 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.000 10.666 -3.378 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -13.202 9.839 -2.408 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -13.475 12.376 -4.005 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -14.605 11.046 -3.850 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -14.820 13.409 -2.419 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -15.520 11.892 -1.889 1.00 0.00 H new ATOM 454 N ARG A 41 -10.539 13.054 -0.808 1.00 0.00 N ATOM 455 CA ARG A 41 -9.436 13.984 -1.023 1.00 0.00 C ATOM 456 C ARG A 41 -8.676 14.244 0.274 1.00 0.00 C ATOM 457 O ARG A 41 -8.747 15.334 0.841 1.00 0.00 O ATOM 458 CB ARG A 41 -9.960 15.303 -1.596 1.00 0.00 C ATOM 459 CG ARG A 41 -8.869 16.193 -2.169 1.00 0.00 C ATOM 460 CD ARG A 41 -9.442 17.482 -2.736 1.00 0.00 C ATOM 461 NE ARG A 41 -9.770 17.357 -4.154 1.00 0.00 N ATOM 462 CZ ARG A 41 -10.053 18.391 -4.943 1.00 0.00 C ATOM 463 NH1 ARG A 41 -10.052 19.626 -4.456 1.00 0.00 N ATOM 464 NH2 ARG A 41 -10.340 18.190 -6.223 1.00 0.00 N ATOM 0 H ARG A 41 -10.702 12.810 0.169 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.748 13.532 -1.737 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -10.688 15.086 -2.377 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -10.486 15.847 -0.812 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -8.143 16.428 -1.390 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -8.334 15.656 -2.952 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.338 17.756 -2.179 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -8.723 18.289 -2.600 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.783 16.423 -4.563 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.834 19.786 -3.473 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.270 20.415 -5.065 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.344 17.243 -6.602 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.557 18.982 -6.828 1.00 0.00 H new ATOM 478 N THR A 42 -7.945 13.235 0.737 1.00 0.00 N ATOM 479 CA THR A 42 -7.170 13.354 1.962 1.00 0.00 C ATOM 480 C THR A 42 -5.920 12.483 1.888 1.00 0.00 C ATOM 481 O THR A 42 -5.982 11.328 1.470 1.00 0.00 O ATOM 482 CB THR A 42 -8.017 12.952 3.171 1.00 0.00 C ATOM 483 OG1 THR A 42 -9.396 13.111 2.890 1.00 0.00 O ATOM 484 CG2 THR A 42 -7.705 13.757 4.414 1.00 0.00 C ATOM 0 H THR A 42 -7.875 12.326 0.280 1.00 0.00 H new ATOM 0 HA THR A 42 -6.867 14.395 2.076 1.00 0.00 H new ATOM 0 HB THR A 42 -7.771 11.908 3.364 1.00 0.00 H new ATOM 0 HG1 THR A 42 -9.922 12.848 3.674 1.00 0.00 H new ATOM 0 HG21 THR A 42 -8.340 13.422 5.234 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.659 13.617 4.685 1.00 0.00 H new ATOM 0 HG23 THR A 42 -7.891 14.813 4.220 1.00 0.00 H new ATOM 492 N ALA A 43 -4.790 13.044 2.299 1.00 0.00 N ATOM 493 CA ALA A 43 -3.526 12.320 2.280 1.00 0.00 C ATOM 494 C ALA A 43 -3.638 11.009 3.048 1.00 0.00 C ATOM 495 O ALA A 43 -2.985 10.021 2.712 1.00 0.00 O ATOM 496 CB ALA A 43 -2.413 13.185 2.858 1.00 0.00 C ATOM 0 H ALA A 43 -4.723 13.999 2.650 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.283 12.084 1.244 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.474 12.631 2.838 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.312 14.093 2.263 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.656 13.450 3.887 1.00 0.00 H new ATOM 502 N GLN A 44 -4.471 11.007 4.081 1.00 0.00 N ATOM 503 CA GLN A 44 -4.670 9.819 4.900 1.00 0.00 C ATOM 504 C GLN A 44 -5.509 8.784 4.159 1.00 0.00 C ATOM 505 O GLN A 44 -5.308 7.579 4.313 1.00 0.00 O ATOM 506 CB GLN A 44 -5.342 10.188 6.223 1.00 0.00 C ATOM 507 CG GLN A 44 -5.084 9.185 7.337 1.00 0.00 C ATOM 508 CD GLN A 44 -6.332 8.424 7.739 1.00 0.00 C ATOM 509 OE1 GLN A 44 -6.782 7.527 7.024 1.00 0.00 O ATOM 510 NE2 GLN A 44 -6.898 8.777 8.886 1.00 0.00 N ATOM 0 H GLN A 44 -5.020 11.816 4.371 1.00 0.00 H new ATOM 0 HA GLN A 44 -3.692 9.386 5.110 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -4.988 11.169 6.540 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.417 10.273 6.064 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -4.320 8.478 7.014 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -4.686 9.708 8.207 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -6.491 9.526 9.446 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.740 8.300 9.207 1.00 0.00 H new ATOM 519 N ASP A 45 -6.453 9.262 3.357 1.00 0.00 N ATOM 520 CA ASP A 45 -7.324 8.378 2.593 1.00 0.00 C ATOM 521 C ASP A 45 -6.556 7.683 1.475 1.00 0.00 C ATOM 522 O ASP A 45 -6.818 6.522 1.160 1.00 0.00 O ATOM 523 CB ASP A 45 -8.503 9.163 2.013 1.00 0.00 C ATOM 524 CG ASP A 45 -9.817 8.811 2.681 1.00 0.00 C ATOM 525 OD1 ASP A 45 -10.453 7.823 2.255 1.00 0.00 O ATOM 526 OD2 ASP A 45 -10.211 9.520 3.630 1.00 0.00 O ATOM 0 H ASP A 45 -6.635 10.256 3.219 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.705 7.614 3.270 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.316 10.231 2.126 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.577 8.964 0.944 1.00 0.00 H new ATOM 531 N GLU A 46 -5.608 8.395 0.876 1.00 0.00 N ATOM 532 CA GLU A 46 -4.809 7.837 -0.207 1.00 0.00 C ATOM 533 C GLU A 46 -3.841 6.784 0.317 1.00 0.00 C ATOM 534 O GLU A 46 -3.648 5.741 -0.305 1.00 0.00 O ATOM 535 CB GLU A 46 -4.041 8.942 -0.934 1.00 0.00 C ATOM 536 CG GLU A 46 -3.176 9.788 -0.016 1.00 0.00 C ATOM 537 CD GLU A 46 -2.321 10.784 -0.774 1.00 0.00 C ATOM 538 OE1 GLU A 46 -2.864 11.822 -1.207 1.00 0.00 O ATOM 539 OE2 GLU A 46 -1.110 10.527 -0.937 1.00 0.00 O ATOM 0 H GLU A 46 -5.375 9.357 1.122 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.488 7.359 -0.913 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.410 8.491 -1.700 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.752 9.589 -1.448 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.814 10.324 0.687 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.531 9.135 0.573 1.00 0.00 H new ATOM 546 N LYS A 47 -3.239 7.061 1.465 1.00 0.00 N ATOM 547 CA LYS A 47 -2.300 6.127 2.070 1.00 0.00 C ATOM 548 C LYS A 47 -3.026 4.878 2.548 1.00 0.00 C ATOM 549 O LYS A 47 -2.506 3.766 2.445 1.00 0.00 O ATOM 550 CB LYS A 47 -1.562 6.785 3.236 1.00 0.00 C ATOM 551 CG LYS A 47 -2.479 7.213 4.368 1.00 0.00 C ATOM 552 CD LYS A 47 -1.694 7.792 5.535 1.00 0.00 C ATOM 553 CE LYS A 47 -0.907 9.024 5.120 1.00 0.00 C ATOM 554 NZ LYS A 47 0.520 8.704 4.846 1.00 0.00 N ATOM 0 H LYS A 47 -3.383 7.921 1.994 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.569 5.840 1.314 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.819 6.089 3.624 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.021 7.657 2.868 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.188 7.955 4.002 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.061 6.357 4.709 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.379 8.051 6.343 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.011 7.037 5.926 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.359 9.460 4.229 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.966 9.775 5.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.871 9.311 4.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.084 8.870 5.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.604 7.706 4.565 1.00 0.00 H new ATOM 568 N PHE A 48 -4.232 5.068 3.072 1.00 0.00 N ATOM 569 CA PHE A 48 -5.030 3.956 3.569 1.00 0.00 C ATOM 570 C PHE A 48 -5.477 3.053 2.428 1.00 0.00 C ATOM 571 O PHE A 48 -5.418 1.828 2.536 1.00 0.00 O ATOM 572 CB PHE A 48 -6.246 4.472 4.338 1.00 0.00 C ATOM 573 CG PHE A 48 -6.813 3.472 5.306 1.00 0.00 C ATOM 574 CD1 PHE A 48 -5.991 2.822 6.212 1.00 0.00 C ATOM 575 CD2 PHE A 48 -8.168 3.181 5.307 1.00 0.00 C ATOM 576 CE1 PHE A 48 -6.512 1.902 7.103 1.00 0.00 C ATOM 577 CE2 PHE A 48 -8.693 2.262 6.194 1.00 0.00 C ATOM 578 CZ PHE A 48 -7.864 1.621 7.094 1.00 0.00 C ATOM 0 H PHE A 48 -4.677 5.981 3.163 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.407 3.371 4.246 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.966 5.374 4.882 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -7.021 4.757 3.627 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -4.932 3.036 6.222 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -8.821 3.679 4.606 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -5.861 1.403 7.806 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -9.751 2.045 6.184 1.00 0.00 H new ATOM 0 HZ PHE A 48 -8.272 0.902 7.789 1.00 0.00 H new ATOM 588 N LEU A 49 -5.915 3.659 1.332 1.00 0.00 N ATOM 589 CA LEU A 49 -6.359 2.890 0.176 1.00 0.00 C ATOM 590 C LEU A 49 -5.161 2.260 -0.522 1.00 0.00 C ATOM 591 O LEU A 49 -5.218 1.113 -0.965 1.00 0.00 O ATOM 592 CB LEU A 49 -7.147 3.770 -0.799 1.00 0.00 C ATOM 593 CG LEU A 49 -6.411 5.009 -1.310 1.00 0.00 C ATOM 594 CD1 LEU A 49 -5.479 4.645 -2.458 1.00 0.00 C ATOM 595 CD2 LEU A 49 -7.410 6.072 -1.747 1.00 0.00 C ATOM 0 H LEU A 49 -5.972 4.671 1.219 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.023 2.098 0.523 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.438 3.162 -1.656 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.066 4.091 -0.309 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.807 5.413 -0.498 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.965 5.540 -2.807 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.745 3.916 -2.114 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.059 4.217 -3.276 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.873 6.949 -2.109 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.037 5.676 -2.545 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.036 6.353 -0.900 1.00 0.00 H new ATOM 607 N ARG A 50 -4.071 3.016 -0.601 1.00 0.00 N ATOM 608 CA ARG A 50 -2.849 2.529 -1.227 1.00 0.00 C ATOM 609 C ARG A 50 -2.233 1.404 -0.403 1.00 0.00 C ATOM 610 O ARG A 50 -1.706 0.436 -0.950 1.00 0.00 O ATOM 611 CB ARG A 50 -1.842 3.669 -1.391 1.00 0.00 C ATOM 612 CG ARG A 50 -2.045 4.484 -2.658 1.00 0.00 C ATOM 613 CD ARG A 50 -0.734 4.711 -3.395 1.00 0.00 C ATOM 614 NE ARG A 50 -0.946 5.248 -4.737 1.00 0.00 N ATOM 615 CZ ARG A 50 -1.344 6.495 -4.983 1.00 0.00 C ATOM 616 NH1 ARG A 50 -1.570 7.335 -3.981 1.00 0.00 N ATOM 617 NH2 ARG A 50 -1.512 6.903 -6.232 1.00 0.00 N ATOM 0 H ARG A 50 -4.010 3.968 -0.239 1.00 0.00 H new ATOM 0 HA ARG A 50 -3.104 2.139 -2.212 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.912 4.331 -0.528 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.834 3.254 -1.394 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.747 3.969 -3.314 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.492 5.445 -2.405 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.111 5.399 -2.823 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.189 3.770 -3.463 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.779 4.632 -5.532 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.439 7.027 -3.018 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.875 8.289 -4.174 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.337 6.262 -7.006 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -1.817 7.858 -6.420 1.00 0.00 H new ATOM 631 N GLU A 51 -2.303 1.543 0.918 1.00 0.00 N ATOM 632 CA GLU A 51 -1.750 0.543 1.824 1.00 0.00 C ATOM 633 C GLU A 51 -2.616 -0.712 1.847 1.00 0.00 C ATOM 634 O GLU A 51 -2.112 -1.824 2.013 1.00 0.00 O ATOM 635 CB GLU A 51 -1.624 1.116 3.236 1.00 0.00 C ATOM 636 CG GLU A 51 -0.364 1.938 3.448 1.00 0.00 C ATOM 637 CD GLU A 51 -0.017 2.105 4.914 1.00 0.00 C ATOM 638 OE1 GLU A 51 0.069 1.082 5.625 1.00 0.00 O ATOM 639 OE2 GLU A 51 0.169 3.261 5.353 1.00 0.00 O ATOM 0 H GLU A 51 -2.738 2.339 1.384 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.759 0.271 1.460 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.494 1.739 3.445 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.638 0.296 3.954 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.469 1.459 2.934 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.495 2.921 2.995 1.00 0.00 H new ATOM 646 N SER A 52 -3.922 -0.529 1.688 1.00 0.00 N ATOM 647 CA SER A 52 -4.857 -1.647 1.696 1.00 0.00 C ATOM 648 C SER A 52 -5.204 -2.084 0.276 1.00 0.00 C ATOM 649 O SER A 52 -6.345 -2.443 -0.012 1.00 0.00 O ATOM 650 CB SER A 52 -6.133 -1.266 2.450 1.00 0.00 C ATOM 651 OG SER A 52 -5.839 -0.439 3.563 1.00 0.00 O ATOM 0 H SER A 52 -4.357 0.383 1.552 1.00 0.00 H new ATOM 0 HA SER A 52 -4.376 -2.483 2.204 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.816 -0.747 1.777 1.00 0.00 H new ATOM 0 HB3 SER A 52 -6.643 -2.168 2.788 1.00 0.00 H new ATOM 0 HG SER A 52 -6.047 0.493 3.342 1.00 0.00 H new ATOM 657 N ALA A 53 -4.214 -2.054 -0.609 1.00 0.00 N ATOM 658 CA ALA A 53 -4.418 -2.450 -1.997 1.00 0.00 C ATOM 659 C ALA A 53 -3.752 -3.790 -2.289 1.00 0.00 C ATOM 660 O ALA A 53 -2.534 -3.927 -2.166 1.00 0.00 O ATOM 661 CB ALA A 53 -3.884 -1.378 -2.934 1.00 0.00 C ATOM 0 H ALA A 53 -3.262 -1.760 -0.390 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.489 -2.563 -2.164 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.043 -1.686 -3.967 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.408 -0.440 -2.750 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.818 -1.238 -2.757 1.00 0.00 H new ATOM 667 N CYS A 54 -4.556 -4.777 -2.673 1.00 0.00 N ATOM 668 CA CYS A 54 -4.039 -6.106 -2.981 1.00 0.00 C ATOM 669 C CYS A 54 -3.435 -6.144 -4.382 1.00 0.00 C ATOM 670 O CYS A 54 -3.885 -6.898 -5.245 1.00 0.00 O ATOM 671 CB CYS A 54 -5.153 -7.150 -2.857 1.00 0.00 C ATOM 672 SG CYS A 54 -6.526 -6.925 -4.034 1.00 0.00 S ATOM 0 H CYS A 54 -5.566 -4.682 -2.778 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.253 -6.340 -2.263 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -4.724 -8.141 -3.003 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -5.551 -7.121 -1.843 1.00 0.00 H new ATOM 677 N GLY A 55 -2.412 -5.325 -4.600 1.00 0.00 N ATOM 678 CA GLY A 55 -1.761 -5.278 -5.895 1.00 0.00 C ATOM 679 C GLY A 55 -1.585 -3.862 -6.405 1.00 0.00 C ATOM 680 O GLY A 55 -2.444 -3.007 -6.188 1.00 0.00 O ATOM 0 H GLY A 55 -2.022 -4.692 -3.902 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.786 -5.760 -5.825 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.348 -5.849 -6.614 1.00 0.00 H new ATOM 684 N PHE A 56 -0.471 -3.613 -7.082 1.00 0.00 N ATOM 685 CA PHE A 56 -0.185 -2.289 -7.625 1.00 0.00 C ATOM 686 C PHE A 56 -0.225 -2.305 -9.148 1.00 0.00 C ATOM 687 O PHE A 56 0.682 -2.824 -9.798 1.00 0.00 O ATOM 688 CB PHE A 56 1.183 -1.802 -7.142 1.00 0.00 C ATOM 689 CG PHE A 56 1.116 -0.958 -5.900 1.00 0.00 C ATOM 690 CD1 PHE A 56 0.302 0.162 -5.852 1.00 0.00 C ATOM 691 CD2 PHE A 56 1.865 -1.288 -4.783 1.00 0.00 C ATOM 692 CE1 PHE A 56 0.238 0.941 -4.712 1.00 0.00 C ATOM 693 CE2 PHE A 56 1.806 -0.514 -3.640 1.00 0.00 C ATOM 694 CZ PHE A 56 0.991 0.601 -3.604 1.00 0.00 C ATOM 0 H PHE A 56 0.250 -4.310 -7.269 1.00 0.00 H new ATOM 0 HA PHE A 56 -0.953 -1.603 -7.268 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.820 -2.665 -6.951 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.656 -1.226 -7.937 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.289 0.430 -6.715 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.502 -2.160 -4.806 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.399 1.813 -4.687 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.396 -0.780 -2.776 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.942 1.206 -2.711 1.00 0.00 H new ATOM 704 N ASP A 57 -1.282 -1.730 -9.712 1.00 0.00 N ATOM 705 CA ASP A 57 -1.442 -1.677 -11.161 1.00 0.00 C ATOM 706 C ASP A 57 -1.646 -0.240 -11.632 1.00 0.00 C ATOM 707 O ASP A 57 -2.393 0.522 -11.021 1.00 0.00 O ATOM 708 CB ASP A 57 -2.626 -2.542 -11.597 1.00 0.00 C ATOM 709 CG ASP A 57 -2.240 -3.996 -11.792 1.00 0.00 C ATOM 710 OD1 ASP A 57 -2.014 -4.689 -10.779 1.00 0.00 O ATOM 711 OD2 ASP A 57 -2.164 -4.438 -12.956 1.00 0.00 O ATOM 0 H ASP A 57 -2.041 -1.294 -9.188 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.531 -2.065 -11.617 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.416 -2.476 -10.849 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.036 -2.150 -12.528 1.00 0.00 H new ATOM 716 N GLY A 58 -0.977 0.119 -12.723 1.00 0.00 N ATOM 717 CA GLY A 58 -1.100 1.462 -13.258 1.00 0.00 C ATOM 718 C GLY A 58 -2.185 1.571 -14.311 1.00 0.00 C ATOM 719 O GLY A 58 -1.975 2.168 -15.367 1.00 0.00 O ATOM 0 H GLY A 58 -0.353 -0.496 -13.245 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.317 2.155 -12.445 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.147 1.766 -13.691 1.00 0.00 H new ATOM 723 N GLN A 59 -3.345 0.990 -14.023 1.00 0.00 N ATOM 724 CA GLN A 59 -4.468 1.023 -14.955 1.00 0.00 C ATOM 725 C GLN A 59 -5.786 0.790 -14.225 1.00 0.00 C ATOM 726 O GLN A 59 -6.766 1.499 -14.452 1.00 0.00 O ATOM 727 CB GLN A 59 -4.283 -0.032 -16.046 1.00 0.00 C ATOM 728 CG GLN A 59 -3.106 0.245 -16.968 1.00 0.00 C ATOM 729 CD GLN A 59 -3.022 -0.739 -18.119 1.00 0.00 C ATOM 730 OE1 GLN A 59 -3.266 -0.386 -19.272 1.00 0.00 O ATOM 731 NE2 GLN A 59 -2.678 -1.984 -17.809 1.00 0.00 N ATOM 0 H GLN A 59 -3.533 0.491 -13.153 1.00 0.00 H new ATOM 0 HA GLN A 59 -4.497 2.010 -15.416 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -4.145 -1.007 -15.578 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.194 -0.090 -16.641 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -3.191 1.257 -17.365 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -2.181 0.205 -16.392 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -2.484 -2.233 -16.839 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -2.608 -2.691 -18.541 1.00 0.00 H new ATOM 740 N THR A 60 -5.803 -0.208 -13.348 1.00 0.00 N ATOM 741 CA THR A 60 -7.002 -0.537 -12.584 1.00 0.00 C ATOM 742 C THR A 60 -6.700 -0.583 -11.087 1.00 0.00 C ATOM 743 O THR A 60 -6.146 -1.564 -10.590 1.00 0.00 O ATOM 744 CB THR A 60 -7.568 -1.882 -13.041 1.00 0.00 C ATOM 745 OG1 THR A 60 -7.500 -2.002 -14.451 1.00 0.00 O ATOM 746 CG2 THR A 60 -9.009 -2.095 -12.631 1.00 0.00 C ATOM 0 H THR A 60 -5.000 -0.804 -13.148 1.00 0.00 H new ATOM 0 HA THR A 60 -7.742 0.243 -12.763 1.00 0.00 H new ATOM 0 HB THR A 60 -6.952 -2.636 -12.551 1.00 0.00 H new ATOM 0 HG1 THR A 60 -7.865 -2.870 -14.723 1.00 0.00 H new ATOM 0 HG21 THR A 60 -9.348 -3.068 -12.987 1.00 0.00 H new ATOM 0 HG22 THR A 60 -9.087 -2.058 -11.544 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.631 -1.313 -13.066 1.00 0.00 H new ATOM 754 N PRO A 61 -7.064 0.477 -10.342 1.00 0.00 N ATOM 755 CA PRO A 61 -6.825 0.542 -8.895 1.00 0.00 C ATOM 756 C PRO A 61 -7.666 -0.473 -8.128 1.00 0.00 C ATOM 757 O PRO A 61 -8.769 -0.824 -8.549 1.00 0.00 O ATOM 758 CB PRO A 61 -7.236 1.969 -8.525 1.00 0.00 C ATOM 759 CG PRO A 61 -8.191 2.380 -9.591 1.00 0.00 C ATOM 760 CD PRO A 61 -7.732 1.692 -10.846 1.00 0.00 C ATOM 0 HA PRO A 61 -5.791 0.308 -8.642 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.703 2.003 -7.541 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.372 2.633 -8.491 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.210 2.088 -9.336 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.192 3.463 -9.718 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.569 1.449 -11.501 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -7.049 2.317 -11.421 1.00 0.00 H new ATOM 768 N LYS A 62 -7.141 -0.941 -7.000 1.00 0.00 N ATOM 769 CA LYS A 62 -7.845 -1.918 -6.179 1.00 0.00 C ATOM 770 C LYS A 62 -7.764 -1.549 -4.700 1.00 0.00 C ATOM 771 O LYS A 62 -6.841 -0.856 -4.272 1.00 0.00 O ATOM 772 CB LYS A 62 -7.264 -3.316 -6.399 1.00 0.00 C ATOM 773 CG LYS A 62 -7.543 -3.880 -7.783 1.00 0.00 C ATOM 774 CD LYS A 62 -8.682 -4.888 -7.759 1.00 0.00 C ATOM 775 CE LYS A 62 -8.252 -6.229 -8.335 1.00 0.00 C ATOM 776 NZ LYS A 62 -7.562 -7.074 -7.323 1.00 0.00 N ATOM 0 H LYS A 62 -6.231 -0.659 -6.634 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.893 -1.916 -6.479 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.186 -3.282 -6.240 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.675 -3.993 -5.650 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.791 -3.066 -8.465 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -6.643 -4.357 -8.170 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.027 -5.025 -6.734 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.525 -4.499 -8.330 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.126 -6.758 -8.714 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.587 -6.063 -9.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.610 -7.316 -7.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.486 -6.551 -6.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -8.107 -7.946 -7.169 1.00 0.00 H new ATOM 790 N VAL A 63 -8.736 -2.020 -3.926 1.00 0.00 N ATOM 791 CA VAL A 63 -8.778 -1.745 -2.494 1.00 0.00 C ATOM 792 C VAL A 63 -9.183 -2.989 -1.711 1.00 0.00 C ATOM 793 O VAL A 63 -9.858 -3.873 -2.239 1.00 0.00 O ATOM 794 CB VAL A 63 -9.762 -0.605 -2.169 1.00 0.00 C ATOM 795 CG1 VAL A 63 -9.644 -0.199 -0.709 1.00 0.00 C ATOM 796 CG2 VAL A 63 -9.519 0.588 -3.083 1.00 0.00 C ATOM 0 H VAL A 63 -9.507 -2.595 -4.267 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.774 -1.442 -2.199 1.00 0.00 H new ATOM 0 HB VAL A 63 -10.776 -0.965 -2.342 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -10.346 0.607 -0.498 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.872 -1.055 -0.074 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.629 0.142 -0.507 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.223 1.383 -2.839 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.500 0.951 -2.945 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.659 0.286 -4.121 1.00 0.00 H new ATOM 806 N CYS A 64 -8.766 -3.052 -0.452 1.00 0.00 N ATOM 807 CA CYS A 64 -9.084 -4.191 0.401 1.00 0.00 C ATOM 808 C CYS A 64 -10.182 -3.835 1.399 1.00 0.00 C ATOM 809 O CYS A 64 -10.056 -2.882 2.166 1.00 0.00 O ATOM 810 CB CYS A 64 -7.834 -4.666 1.147 1.00 0.00 C ATOM 811 SG CYS A 64 -7.885 -6.423 1.635 1.00 0.00 S ATOM 0 H CYS A 64 -8.207 -2.328 0.001 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.445 -4.998 -0.236 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -6.961 -4.500 0.515 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -7.702 -4.055 2.040 1.00 0.00 H new ATOM 816 N CYS A 65 -11.260 -4.613 1.380 1.00 0.00 N ATOM 817 CA CYS A 65 -12.385 -4.392 2.276 1.00 0.00 C ATOM 818 C CYS A 65 -12.557 -5.577 3.224 1.00 0.00 C ATOM 819 O CYS A 65 -12.874 -6.686 2.790 1.00 0.00 O ATOM 820 CB CYS A 65 -13.665 -4.184 1.463 1.00 0.00 C ATOM 821 SG CYS A 65 -14.188 -2.443 1.324 1.00 0.00 S ATOM 0 H CYS A 65 -11.376 -5.406 0.749 1.00 0.00 H new ATOM 0 HA CYS A 65 -12.187 -3.499 2.869 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -13.516 -4.588 0.462 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -14.470 -4.758 1.921 1.00 0.00 H new ATOM 826 N PRO A 66 -12.354 -5.365 4.537 1.00 0.00 N ATOM 827 CA PRO A 66 -12.492 -6.428 5.536 1.00 0.00 C ATOM 828 C PRO A 66 -13.823 -7.165 5.415 1.00 0.00 C ATOM 829 O PRO A 66 -14.822 -6.592 4.982 1.00 0.00 O ATOM 830 CB PRO A 66 -12.420 -5.677 6.868 1.00 0.00 C ATOM 831 CG PRO A 66 -11.643 -4.443 6.568 1.00 0.00 C ATOM 832 CD PRO A 66 -11.972 -4.077 5.145 1.00 0.00 C ATOM 0 HA PRO A 66 -11.727 -7.196 5.422 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -13.416 -5.437 7.241 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.929 -6.277 7.634 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -11.913 -3.637 7.250 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.574 -4.617 6.688 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -12.785 -3.353 5.095 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -11.117 -3.632 4.637 1.00 0.00 H new TER 840 PRO A 66