USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 419 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 22 GLN : amide:sc= 0.453 X(o=1.2,f=0.68) USER MOD Set 1.2: A 26 TYR OH : rot 175:sc= 0.701 USER MOD Single : A 1 THR N :NH3+ -101:sc= 1.1 (180deg=0.123) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.214 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0596 USER MOD Single : A 6 MET CE :methyl -115:sc= -0.739 (180deg=-4.03!) USER MOD Single : A 9 ASN : amide:sc= 0.303 K(o=0.3,f=-9.2!) USER MOD Single : A 13 GLN : amide:sc= 0.549 K(o=0.55,f=-2.8!) USER MOD Single : A 16 LYS NZ :NH3+ 161:sc= 1.09 (180deg=0.615) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 161:sc= 1.04 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 160:sc= 1.08 USER MOD Single : A 31 THR OG1 : rot 160:sc= -0.63 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.071 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 160:sc= 0 USER MOD Single : A 44 THR OG1 : rot 178:sc= 1.26 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 156:sc= 1.96 (180deg=0.155) USER MOD Single : A 52 LYS NZ :NH3+ 149:sc= 0.574 (180deg=-1.33!) USER MOD Single : A 53 TYR OH : rot 151:sc= 0.949 USER MOD Single : A 59 THR OG1 : rot 143:sc= 0.113 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 10.360 4.357 10.284 1.00 0.00 N ATOM 2 CA THR A 1 10.987 5.383 9.477 1.00 0.00 C ATOM 3 C THR A 1 9.862 5.937 8.624 1.00 0.00 C ATOM 4 O THR A 1 8.798 5.330 8.627 1.00 0.00 O ATOM 5 CB THR A 1 12.075 4.684 8.640 1.00 0.00 C ATOM 6 OG1 THR A 1 12.454 3.546 9.408 1.00 0.00 O ATOM 7 CG2 THR A 1 13.268 5.613 8.360 1.00 0.00 C ATOM 0 H1 THR A 1 10.180 4.728 11.239 1.00 0.00 H new ATOM 0 H2 THR A 1 9.460 4.074 9.847 1.00 0.00 H new ATOM 0 H3 THR A 1 10.989 3.531 10.346 1.00 0.00 H new ATOM 0 HA THR A 1 11.462 6.191 10.033 1.00 0.00 H new ATOM 0 HB THR A 1 11.707 4.400 7.654 1.00 0.00 H new ATOM 0 HG1 THR A 1 13.150 3.047 8.931 1.00 0.00 H new ATOM 0 HG21 THR A 1 14.012 5.081 7.767 1.00 0.00 H new ATOM 0 HG22 THR A 1 12.925 6.490 7.810 1.00 0.00 H new ATOM 0 HG23 THR A 1 13.713 5.928 9.304 1.00 0.00 H new ATOM 17 N ALA A 2 10.126 7.056 7.925 1.00 0.00 N ATOM 18 CA ALA A 2 9.099 7.610 7.051 1.00 0.00 C ATOM 19 C ALA A 2 8.886 6.648 5.869 1.00 0.00 C ATOM 20 O ALA A 2 9.823 6.021 5.389 1.00 0.00 O ATOM 21 CB ALA A 2 9.539 8.990 6.558 1.00 0.00 C ATOM 0 H ALA A 2 11.006 7.570 7.950 1.00 0.00 H new ATOM 0 HA ALA A 2 8.159 7.724 7.591 1.00 0.00 H new ATOM 0 HB1 ALA A 2 8.771 9.405 5.904 1.00 0.00 H new ATOM 0 HB2 ALA A 2 9.685 9.652 7.412 1.00 0.00 H new ATOM 0 HB3 ALA A 2 10.474 8.898 6.006 1.00 0.00 H new ATOM 27 N LEU A 3 7.608 6.557 5.465 1.00 0.00 N ATOM 28 CA LEU A 3 7.205 5.656 4.398 1.00 0.00 C ATOM 29 C LEU A 3 6.678 6.490 3.229 1.00 0.00 C ATOM 30 O LEU A 3 5.512 6.859 3.210 1.00 0.00 O ATOM 31 CB LEU A 3 6.100 4.702 4.907 1.00 0.00 C ATOM 32 CG LEU A 3 6.594 3.780 6.038 1.00 0.00 C ATOM 33 CD1 LEU A 3 5.423 3.252 6.866 1.00 0.00 C ATOM 34 CD2 LEU A 3 7.402 2.602 5.489 1.00 0.00 C ATOM 0 H LEU A 3 6.844 7.100 5.867 1.00 0.00 H new ATOM 0 HA LEU A 3 8.057 5.059 4.072 1.00 0.00 H new ATOM 0 HB2 LEU A 3 5.254 5.289 5.264 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.739 4.094 4.078 1.00 0.00 H new ATOM 0 HG LEU A 3 7.242 4.379 6.677 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.800 2.604 7.657 1.00 0.00 H new ATOM 0 HD12 LEU A 3 4.884 4.089 7.309 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.749 2.686 6.223 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.734 1.973 6.315 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.778 2.016 4.814 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.270 2.977 4.947 1.00 0.00 H new ATOM 46 N PHE A 4 7.599 6.739 2.266 1.00 0.00 N ATOM 47 CA PHE A 4 7.260 7.440 1.020 1.00 0.00 C ATOM 48 C PHE A 4 6.661 6.327 0.107 1.00 0.00 C ATOM 49 O PHE A 4 5.783 5.614 0.574 1.00 0.00 O ATOM 50 CB PHE A 4 8.490 8.272 0.544 1.00 0.00 C ATOM 51 CG PHE A 4 9.049 9.126 1.653 1.00 0.00 C ATOM 52 CD1 PHE A 4 8.293 10.170 2.180 1.00 0.00 C ATOM 53 CD2 PHE A 4 10.329 8.901 2.155 1.00 0.00 C ATOM 54 CE1 PHE A 4 8.805 10.975 3.189 1.00 0.00 C ATOM 55 CE2 PHE A 4 10.843 9.705 3.163 1.00 0.00 C ATOM 56 CZ PHE A 4 10.082 10.745 3.680 1.00 0.00 C ATOM 0 H PHE A 4 8.578 6.462 2.336 1.00 0.00 H new ATOM 0 HA PHE A 4 6.503 8.223 1.071 1.00 0.00 H new ATOM 0 HB2 PHE A 4 9.265 7.599 0.178 1.00 0.00 H new ATOM 0 HB3 PHE A 4 8.198 8.907 -0.292 1.00 0.00 H new ATOM 0 HD1 PHE A 4 7.299 10.355 1.800 1.00 0.00 H new ATOM 0 HD2 PHE A 4 10.926 8.094 1.757 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.209 11.780 3.592 1.00 0.00 H new ATOM 0 HE2 PHE A 4 11.836 9.521 3.546 1.00 0.00 H new ATOM 0 HZ PHE A 4 10.483 11.373 4.462 1.00 0.00 H new ATOM 66 N THR A 5 7.158 6.105 -1.132 1.00 0.00 N ATOM 67 CA THR A 5 6.633 4.993 -1.921 1.00 0.00 C ATOM 68 C THR A 5 7.533 3.763 -1.806 1.00 0.00 C ATOM 69 O THR A 5 7.133 2.646 -2.100 1.00 0.00 O ATOM 70 CB THR A 5 6.646 5.387 -3.390 1.00 0.00 C ATOM 71 OG1 THR A 5 7.837 6.139 -3.605 1.00 0.00 O ATOM 72 CG2 THR A 5 5.368 6.155 -3.759 1.00 0.00 C ATOM 0 H THR A 5 7.888 6.658 -1.581 1.00 0.00 H new ATOM 0 HA THR A 5 5.632 4.768 -1.554 1.00 0.00 H new ATOM 0 HB THR A 5 6.651 4.514 -4.043 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.886 6.413 -4.545 1.00 0.00 H new ATOM 0 HG21 THR A 5 5.399 6.427 -4.814 1.00 0.00 H new ATOM 0 HG22 THR A 5 4.498 5.525 -3.572 1.00 0.00 H new ATOM 0 HG23 THR A 5 5.299 7.059 -3.153 1.00 0.00 H new ATOM 80 N MET A 6 8.765 4.039 -1.376 1.00 0.00 N ATOM 81 CA MET A 6 9.752 3.003 -1.086 1.00 0.00 C ATOM 82 C MET A 6 10.051 2.079 -2.291 1.00 0.00 C ATOM 83 O MET A 6 10.501 0.955 -2.116 1.00 0.00 O ATOM 84 CB MET A 6 9.245 2.174 0.113 1.00 0.00 C ATOM 85 CG MET A 6 8.836 3.042 1.332 1.00 0.00 C ATOM 86 SD MET A 6 10.284 3.535 2.290 1.00 0.00 S ATOM 87 CE MET A 6 10.547 5.200 1.655 1.00 0.00 C ATOM 0 H MET A 6 9.105 4.988 -1.220 1.00 0.00 H new ATOM 0 HA MET A 6 10.695 3.497 -0.853 1.00 0.00 H new ATOM 0 HB2 MET A 6 8.389 1.578 -0.203 1.00 0.00 H new ATOM 0 HB3 MET A 6 10.024 1.476 0.418 1.00 0.00 H new ATOM 0 HG2 MET A 6 8.303 3.929 0.989 1.00 0.00 H new ATOM 0 HG3 MET A 6 8.149 2.483 1.967 1.00 0.00 H new ATOM 0 HE1 MET A 6 11.499 5.241 1.125 1.00 0.00 H new ATOM 0 HE2 MET A 6 9.739 5.460 0.971 1.00 0.00 H new ATOM 0 HE3 MET A 6 10.563 5.907 2.484 1.00 0.00 H new ATOM 97 N GLY A 7 9.766 2.597 -3.507 1.00 0.00 N ATOM 98 CA GLY A 7 9.988 1.820 -4.730 1.00 0.00 C ATOM 99 C GLY A 7 8.696 1.596 -5.530 1.00 0.00 C ATOM 100 O GLY A 7 8.735 1.353 -6.728 1.00 0.00 O ATOM 0 H GLY A 7 9.389 3.533 -3.659 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.715 2.336 -5.357 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.421 0.855 -4.469 1.00 0.00 H new ATOM 104 N GLY A 8 7.562 1.682 -4.801 1.00 0.00 N ATOM 105 CA GLY A 8 6.242 1.488 -5.403 1.00 0.00 C ATOM 106 C GLY A 8 5.861 2.617 -6.404 1.00 0.00 C ATOM 107 O GLY A 8 6.741 3.264 -6.955 1.00 0.00 O ATOM 0 H GLY A 8 7.543 1.884 -3.801 1.00 0.00 H new ATOM 0 HA2 GLY A 8 6.222 0.529 -5.920 1.00 0.00 H new ATOM 0 HA3 GLY A 8 5.492 1.441 -4.614 1.00 0.00 H new ATOM 111 N ASN A 9 4.539 2.793 -6.681 1.00 0.00 N ATOM 112 CA ASN A 9 4.150 3.666 -7.805 1.00 0.00 C ATOM 113 C ASN A 9 3.293 4.883 -7.432 1.00 0.00 C ATOM 114 O ASN A 9 2.844 5.609 -8.311 1.00 0.00 O ATOM 115 CB ASN A 9 3.409 2.811 -8.862 1.00 0.00 C ATOM 116 CG ASN A 9 2.020 2.305 -8.407 1.00 0.00 C ATOM 117 OD1 ASN A 9 1.464 2.744 -7.412 1.00 0.00 O ATOM 118 ND2 ASN A 9 1.459 1.377 -9.192 1.00 0.00 N ATOM 0 H ASN A 9 3.768 2.365 -6.168 1.00 0.00 H new ATOM 0 HA ASN A 9 5.078 4.087 -8.192 1.00 0.00 H new ATOM 0 HB2 ASN A 9 3.289 3.401 -9.771 1.00 0.00 H new ATOM 0 HB3 ASN A 9 4.030 1.953 -9.119 1.00 0.00 H new ATOM 0 HD21 ASN A 9 0.534 1.011 -8.968 1.00 0.00 H new ATOM 0 HD22 ASN A 9 1.957 1.036 -10.015 1.00 0.00 H new ATOM 125 N ALA A 10 3.070 5.090 -6.126 1.00 0.00 N ATOM 126 CA ALA A 10 2.197 6.191 -5.732 1.00 0.00 C ATOM 127 C ALA A 10 2.891 7.568 -5.752 1.00 0.00 C ATOM 128 O ALA A 10 2.937 8.227 -4.730 1.00 0.00 O ATOM 129 CB ALA A 10 1.652 5.917 -4.327 1.00 0.00 C ATOM 0 H ALA A 10 3.462 4.538 -5.363 1.00 0.00 H new ATOM 0 HA ALA A 10 1.394 6.238 -6.468 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.998 6.735 -4.024 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.088 4.984 -4.331 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.481 5.836 -3.624 1.00 0.00 H new ATOM 135 N GLU A 11 3.399 7.984 -6.931 1.00 0.00 N ATOM 136 CA GLU A 11 4.004 9.308 -7.161 1.00 0.00 C ATOM 137 C GLU A 11 4.836 9.918 -5.985 1.00 0.00 C ATOM 138 O GLU A 11 4.809 11.117 -5.747 1.00 0.00 O ATOM 139 CB GLU A 11 2.914 10.291 -7.649 1.00 0.00 C ATOM 140 CG GLU A 11 1.651 10.314 -6.765 1.00 0.00 C ATOM 141 CD GLU A 11 0.799 11.576 -6.992 1.00 0.00 C ATOM 142 OE1 GLU A 11 0.350 11.784 -8.117 1.00 0.00 O ATOM 143 OE2 GLU A 11 0.589 12.332 -6.041 1.00 0.00 O ATOM 0 H GLU A 11 3.399 7.396 -7.764 1.00 0.00 H new ATOM 0 HA GLU A 11 4.760 9.143 -7.929 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.336 11.295 -7.689 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.628 10.025 -8.667 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.049 9.430 -6.974 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.944 10.260 -5.716 1.00 0.00 H new ATOM 150 N GLY A 12 5.592 9.051 -5.277 1.00 0.00 N ATOM 151 CA GLY A 12 6.444 9.529 -4.169 1.00 0.00 C ATOM 152 C GLY A 12 5.644 9.858 -2.880 1.00 0.00 C ATOM 153 O GLY A 12 6.224 10.183 -1.850 1.00 0.00 O ATOM 0 H GLY A 12 5.630 8.046 -5.446 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.192 8.770 -3.941 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.983 10.420 -4.492 1.00 0.00 H new ATOM 157 N GLN A 13 4.304 9.771 -2.983 1.00 0.00 N ATOM 158 CA GLN A 13 3.407 10.026 -1.864 1.00 0.00 C ATOM 159 C GLN A 13 3.591 8.898 -0.828 1.00 0.00 C ATOM 160 O GLN A 13 3.940 7.775 -1.176 1.00 0.00 O ATOM 161 CB GLN A 13 1.942 10.058 -2.344 1.00 0.00 C ATOM 162 CG GLN A 13 1.598 11.231 -3.287 1.00 0.00 C ATOM 163 CD GLN A 13 1.286 12.533 -2.539 1.00 0.00 C ATOM 164 OE1 GLN A 13 1.562 12.685 -1.356 1.00 0.00 O ATOM 165 NE2 GLN A 13 0.650 13.441 -3.293 1.00 0.00 N ATOM 0 H GLN A 13 3.824 9.522 -3.848 1.00 0.00 H new ATOM 0 HA GLN A 13 3.642 10.993 -1.419 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.721 9.121 -2.856 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.289 10.107 -1.472 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.434 11.400 -3.966 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.740 10.957 -3.900 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.454 13.242 -4.274 1.00 0.00 H new ATOM 0 HE22 GLN A 13 0.362 14.331 -2.885 1.00 0.00 H new ATOM 174 N PRO A 14 3.356 9.237 0.464 1.00 0.00 N ATOM 175 CA PRO A 14 3.561 8.290 1.549 1.00 0.00 C ATOM 176 C PRO A 14 2.464 7.233 1.698 1.00 0.00 C ATOM 177 O PRO A 14 1.309 7.457 1.349 1.00 0.00 O ATOM 178 CB PRO A 14 3.621 9.180 2.798 1.00 0.00 C ATOM 179 CG PRO A 14 2.768 10.403 2.445 1.00 0.00 C ATOM 180 CD PRO A 14 2.962 10.566 0.935 1.00 0.00 C ATOM 0 HA PRO A 14 4.458 7.698 1.368 1.00 0.00 H new ATOM 0 HB2 PRO A 14 3.228 8.662 3.673 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.646 9.466 3.031 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.720 10.245 2.698 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.097 11.289 2.988 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.044 10.901 0.452 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.729 11.308 0.712 1.00 0.00 H new ATOM 188 N CYS A 15 2.899 6.088 2.278 1.00 0.00 N ATOM 189 CA CYS A 15 1.976 5.002 2.617 1.00 0.00 C ATOM 190 C CYS A 15 0.795 5.591 3.400 1.00 0.00 C ATOM 191 O CYS A 15 0.968 6.462 4.246 1.00 0.00 O ATOM 192 CB CYS A 15 2.619 4.007 3.596 1.00 0.00 C ATOM 193 SG CYS A 15 3.727 2.771 2.874 1.00 0.00 S ATOM 0 H CYS A 15 3.874 5.903 2.515 1.00 0.00 H new ATOM 0 HA CYS A 15 1.692 4.515 1.684 1.00 0.00 H new ATOM 0 HB2 CYS A 15 3.178 4.573 4.341 1.00 0.00 H new ATOM 0 HB3 CYS A 15 1.822 3.484 4.125 1.00 0.00 H new ATOM 198 N LYS A 16 -0.401 5.077 3.063 1.00 0.00 N ATOM 199 CA LYS A 16 -1.608 5.593 3.683 1.00 0.00 C ATOM 200 C LYS A 16 -2.239 4.504 4.548 1.00 0.00 C ATOM 201 O LYS A 16 -2.681 3.467 4.084 1.00 0.00 O ATOM 202 CB LYS A 16 -2.556 6.101 2.581 1.00 0.00 C ATOM 203 CG LYS A 16 -3.753 6.980 3.028 1.00 0.00 C ATOM 204 CD LYS A 16 -3.392 8.115 4.000 1.00 0.00 C ATOM 205 CE LYS A 16 -3.326 7.629 5.454 1.00 0.00 C ATOM 206 NZ LYS A 16 -4.028 8.356 6.505 1.00 0.00 N ATOM 0 H LYS A 16 -0.545 4.328 2.385 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.383 6.434 4.339 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.966 6.672 1.864 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.952 5.235 2.050 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.218 7.413 2.143 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.499 6.340 3.499 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.430 8.542 3.717 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.131 8.912 3.917 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.696 6.604 5.469 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.273 7.592 5.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.147 7.739 7.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.476 9.195 6.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.962 8.653 6.157 1.00 0.00 H new ATOM 220 N PHE A 17 -2.257 4.844 5.845 1.00 0.00 N ATOM 221 CA PHE A 17 -2.880 4.026 6.869 1.00 0.00 C ATOM 222 C PHE A 17 -3.978 4.922 7.502 1.00 0.00 C ATOM 223 O PHE A 17 -3.718 6.096 7.785 1.00 0.00 O ATOM 224 CB PHE A 17 -1.825 3.642 7.928 1.00 0.00 C ATOM 225 CG PHE A 17 -0.653 2.875 7.362 1.00 0.00 C ATOM 226 CD1 PHE A 17 -0.824 1.631 6.764 1.00 0.00 C ATOM 227 CD2 PHE A 17 0.635 3.389 7.457 1.00 0.00 C ATOM 228 CE1 PHE A 17 0.272 0.909 6.306 1.00 0.00 C ATOM 229 CE2 PHE A 17 1.730 2.669 7.003 1.00 0.00 C ATOM 230 CZ PHE A 17 1.556 1.414 6.440 1.00 0.00 C ATOM 0 H PHE A 17 -1.835 5.700 6.204 1.00 0.00 H new ATOM 0 HA PHE A 17 -3.299 3.103 6.467 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.457 4.549 8.408 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.302 3.042 8.703 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.818 1.222 6.654 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.786 4.366 7.892 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.122 -0.054 5.841 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.722 3.088 7.088 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.408 0.838 6.111 1.00 0.00 H new ATOM 240 N PRO A 18 -5.216 4.388 7.679 1.00 0.00 N ATOM 241 CA PRO A 18 -5.712 3.136 7.108 1.00 0.00 C ATOM 242 C PRO A 18 -6.127 3.325 5.631 1.00 0.00 C ATOM 243 O PRO A 18 -6.756 4.318 5.286 1.00 0.00 O ATOM 244 CB PRO A 18 -6.944 2.811 7.963 1.00 0.00 C ATOM 245 CG PRO A 18 -7.467 4.181 8.406 1.00 0.00 C ATOM 246 CD PRO A 18 -6.216 5.062 8.505 1.00 0.00 C ATOM 0 HA PRO A 18 -4.959 2.348 7.116 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.693 2.265 7.390 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.682 2.189 8.819 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -8.179 4.584 7.686 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.983 4.117 9.364 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.413 6.071 8.142 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -5.879 5.155 9.537 1.00 0.00 H new ATOM 254 N PHE A 19 -5.756 2.331 4.798 1.00 0.00 N ATOM 255 CA PHE A 19 -6.158 2.322 3.389 1.00 0.00 C ATOM 256 C PHE A 19 -7.175 1.179 3.211 1.00 0.00 C ATOM 257 O PHE A 19 -7.045 0.113 3.797 1.00 0.00 O ATOM 258 CB PHE A 19 -4.989 2.143 2.392 1.00 0.00 C ATOM 259 CG PHE A 19 -4.227 0.816 2.527 1.00 0.00 C ATOM 260 CD1 PHE A 19 -3.313 0.516 3.559 1.00 0.00 C ATOM 261 CD2 PHE A 19 -4.448 -0.161 1.547 1.00 0.00 C ATOM 262 CE1 PHE A 19 -2.607 -0.680 3.560 1.00 0.00 C ATOM 263 CE2 PHE A 19 -3.739 -1.383 1.563 1.00 0.00 C ATOM 264 CZ PHE A 19 -2.811 -1.620 2.564 1.00 0.00 C ATOM 0 H PHE A 19 -5.184 1.534 5.079 1.00 0.00 H new ATOM 0 HA PHE A 19 -6.582 3.299 3.158 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.380 2.220 1.377 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.286 2.965 2.526 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.160 1.226 4.359 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.172 0.023 0.767 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.892 -0.879 4.345 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.919 -2.127 0.801 1.00 0.00 H new ATOM 0 HZ PHE A 19 -2.245 -2.540 2.567 1.00 0.00 H new ATOM 274 N ARG A 20 -8.199 1.459 2.389 1.00 0.00 N ATOM 275 CA ARG A 20 -9.255 0.483 2.126 1.00 0.00 C ATOM 276 C ARG A 20 -8.886 -0.305 0.858 1.00 0.00 C ATOM 277 O ARG A 20 -8.566 0.283 -0.167 1.00 0.00 O ATOM 278 CB ARG A 20 -10.575 1.268 1.949 1.00 0.00 C ATOM 279 CG ARG A 20 -11.812 0.481 1.490 1.00 0.00 C ATOM 280 CD ARG A 20 -12.422 -0.441 2.584 1.00 0.00 C ATOM 281 NE ARG A 20 -12.351 0.172 3.934 1.00 0.00 N ATOM 282 CZ ARG A 20 -13.121 1.226 4.281 1.00 0.00 C ATOM 283 NH1 ARG A 20 -13.953 1.777 3.402 1.00 0.00 N ATOM 284 NH2 ARG A 20 -13.024 1.704 5.517 1.00 0.00 N ATOM 0 H ARG A 20 -8.313 2.347 1.901 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.372 -0.230 2.942 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.813 1.744 2.900 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.398 2.066 1.228 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.574 1.185 1.158 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.542 -0.127 0.627 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -13.462 -0.656 2.338 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.893 -1.394 2.591 1.00 0.00 H new ATOM 0 HE ARG A 20 -11.702 -0.214 4.620 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -14.014 1.404 2.455 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -14.530 2.573 3.675 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.378 1.276 6.180 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.595 2.499 5.803 1.00 0.00 H new ATOM 298 N PHE A 21 -8.942 -1.645 0.989 1.00 0.00 N ATOM 299 CA PHE A 21 -8.641 -2.549 -0.120 1.00 0.00 C ATOM 300 C PHE A 21 -9.562 -3.768 0.053 1.00 0.00 C ATOM 301 O PHE A 21 -9.818 -4.212 1.161 1.00 0.00 O ATOM 302 CB PHE A 21 -7.162 -2.950 -0.056 1.00 0.00 C ATOM 303 CG PHE A 21 -6.794 -4.058 -1.011 1.00 0.00 C ATOM 304 CD1 PHE A 21 -7.114 -3.981 -2.358 1.00 0.00 C ATOM 305 CD2 PHE A 21 -6.111 -5.175 -0.555 1.00 0.00 C ATOM 306 CE1 PHE A 21 -6.701 -4.962 -3.250 1.00 0.00 C ATOM 307 CE2 PHE A 21 -5.700 -6.169 -1.433 1.00 0.00 C ATOM 308 CZ PHE A 21 -5.982 -6.057 -2.788 1.00 0.00 C ATOM 0 H PHE A 21 -9.194 -2.118 1.857 1.00 0.00 H new ATOM 0 HA PHE A 21 -8.811 -2.085 -1.092 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -6.548 -2.076 -0.273 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -6.923 -3.263 0.960 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -7.694 -3.145 -2.719 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -5.895 -5.273 0.499 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.938 -4.874 -4.300 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.161 -7.029 -1.062 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.645 -6.816 -3.478 1.00 0.00 H new ATOM 318 N GLN A 22 -10.078 -4.273 -1.073 1.00 0.00 N ATOM 319 CA GLN A 22 -11.018 -5.386 -1.100 1.00 0.00 C ATOM 320 C GLN A 22 -12.236 -5.140 -0.162 1.00 0.00 C ATOM 321 O GLN A 22 -12.869 -6.082 0.296 1.00 0.00 O ATOM 322 CB GLN A 22 -10.358 -6.756 -0.758 1.00 0.00 C ATOM 323 CG GLN A 22 -9.226 -7.232 -1.704 1.00 0.00 C ATOM 324 CD GLN A 22 -8.367 -8.364 -1.106 1.00 0.00 C ATOM 325 OE1 GLN A 22 -8.122 -9.364 -1.767 1.00 0.00 O ATOM 326 NE2 GLN A 22 -7.910 -8.190 0.140 1.00 0.00 N ATOM 0 H GLN A 22 -9.848 -3.912 -1.999 1.00 0.00 H new ATOM 0 HA GLN A 22 -11.369 -5.439 -2.131 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -9.956 -6.698 0.254 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -11.138 -7.518 -0.748 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -9.665 -7.575 -2.641 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -8.583 -6.385 -1.944 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -8.140 -7.339 0.653 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -7.332 -8.908 0.576 1.00 0.00 H new ATOM 335 N GLY A 23 -12.527 -3.847 0.115 1.00 0.00 N ATOM 336 CA GLY A 23 -13.655 -3.530 0.995 1.00 0.00 C ATOM 337 C GLY A 23 -13.332 -3.599 2.507 1.00 0.00 C ATOM 338 O GLY A 23 -14.185 -3.306 3.335 1.00 0.00 O ATOM 0 H GLY A 23 -12.015 -3.042 -0.246 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -14.013 -2.528 0.759 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.472 -4.219 0.780 1.00 0.00 H new ATOM 342 N THR A 24 -12.073 -3.948 2.826 1.00 0.00 N ATOM 343 CA THR A 24 -11.596 -4.041 4.207 1.00 0.00 C ATOM 344 C THR A 24 -10.570 -2.916 4.436 1.00 0.00 C ATOM 345 O THR A 24 -9.885 -2.502 3.513 1.00 0.00 O ATOM 346 CB THR A 24 -10.958 -5.430 4.381 1.00 0.00 C ATOM 347 OG1 THR A 24 -11.965 -6.375 4.057 1.00 0.00 O ATOM 348 CG2 THR A 24 -10.433 -5.683 5.806 1.00 0.00 C ATOM 0 H THR A 24 -11.362 -4.172 2.130 1.00 0.00 H new ATOM 0 HA THR A 24 -12.401 -3.925 4.933 1.00 0.00 H new ATOM 0 HB THR A 24 -10.086 -5.510 3.731 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.605 -7.282 4.151 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.996 -6.680 5.861 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.674 -4.940 6.052 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.257 -5.609 6.516 1.00 0.00 H new ATOM 356 N SER A 25 -10.507 -2.415 5.689 1.00 0.00 N ATOM 357 CA SER A 25 -9.558 -1.352 6.007 1.00 0.00 C ATOM 358 C SER A 25 -8.280 -1.985 6.586 1.00 0.00 C ATOM 359 O SER A 25 -8.338 -2.871 7.427 1.00 0.00 O ATOM 360 CB SER A 25 -10.207 -0.358 6.976 1.00 0.00 C ATOM 361 OG SER A 25 -11.574 -0.143 6.640 1.00 0.00 O ATOM 0 H SER A 25 -11.087 -2.725 6.468 1.00 0.00 H new ATOM 0 HA SER A 25 -9.282 -0.796 5.111 1.00 0.00 H new ATOM 0 HB2 SER A 25 -10.134 -0.737 7.996 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.668 0.589 6.948 1.00 0.00 H new ATOM 0 HG SER A 25 -12.045 0.233 7.412 1.00 0.00 H new ATOM 367 N TYR A 26 -7.148 -1.495 6.057 1.00 0.00 N ATOM 368 CA TYR A 26 -5.819 -1.987 6.379 1.00 0.00 C ATOM 369 C TYR A 26 -5.018 -0.853 7.017 1.00 0.00 C ATOM 370 O TYR A 26 -4.845 0.203 6.424 1.00 0.00 O ATOM 371 CB TYR A 26 -5.074 -2.341 5.081 1.00 0.00 C ATOM 372 CG TYR A 26 -5.620 -3.540 4.364 1.00 0.00 C ATOM 373 CD1 TYR A 26 -6.878 -3.523 3.778 1.00 0.00 C ATOM 374 CD2 TYR A 26 -4.850 -4.688 4.255 1.00 0.00 C ATOM 375 CE1 TYR A 26 -7.359 -4.649 3.136 1.00 0.00 C ATOM 376 CE2 TYR A 26 -5.329 -5.801 3.586 1.00 0.00 C ATOM 377 CZ TYR A 26 -6.600 -5.797 3.038 1.00 0.00 C ATOM 378 OH TYR A 26 -7.133 -6.891 2.383 1.00 0.00 O ATOM 0 H TYR A 26 -7.142 -0.731 5.381 1.00 0.00 H new ATOM 0 HA TYR A 26 -5.915 -2.851 7.037 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -5.110 -1.483 4.410 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.024 -2.519 5.315 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -7.482 -2.629 3.824 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -3.865 -4.714 4.697 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -8.348 -4.630 2.703 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -4.707 -6.679 3.491 1.00 0.00 H new ATOM 0 HH TYR A 26 -6.456 -7.597 2.322 1.00 0.00 H new ATOM 388 N ASP A 27 -4.511 -1.153 8.225 1.00 0.00 N ATOM 389 CA ASP A 27 -3.683 -0.199 8.961 1.00 0.00 C ATOM 390 C ASP A 27 -2.270 -0.785 9.136 1.00 0.00 C ATOM 391 O ASP A 27 -1.569 -0.532 10.106 1.00 0.00 O ATOM 392 CB ASP A 27 -4.386 0.125 10.294 1.00 0.00 C ATOM 393 CG ASP A 27 -4.032 1.534 10.797 1.00 0.00 C ATOM 394 OD1 ASP A 27 -4.272 2.493 10.062 1.00 0.00 O ATOM 395 OD2 ASP A 27 -3.538 1.662 11.915 1.00 0.00 O ATOM 0 H ASP A 27 -4.661 -2.041 8.704 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.564 0.739 8.419 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.465 0.046 10.165 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.100 -0.612 11.045 1.00 0.00 H new ATOM 400 N SER A 28 -1.887 -1.610 8.135 1.00 0.00 N ATOM 401 CA SER A 28 -0.571 -2.223 8.181 1.00 0.00 C ATOM 402 C SER A 28 -0.270 -2.839 6.804 1.00 0.00 C ATOM 403 O SER A 28 -1.156 -3.074 5.990 1.00 0.00 O ATOM 404 CB SER A 28 -0.531 -3.296 9.298 1.00 0.00 C ATOM 405 OG SER A 28 -1.547 -4.263 9.102 1.00 0.00 O ATOM 0 H SER A 28 -2.455 -1.850 7.323 1.00 0.00 H new ATOM 0 HA SER A 28 0.190 -1.477 8.410 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.444 -3.783 9.306 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.658 -2.820 10.270 1.00 0.00 H new ATOM 0 HG SER A 28 -1.504 -4.932 9.817 1.00 0.00 H new ATOM 411 N CYS A 29 1.041 -3.072 6.635 1.00 0.00 N ATOM 412 CA CYS A 29 1.645 -3.674 5.451 1.00 0.00 C ATOM 413 C CYS A 29 1.079 -5.073 5.103 1.00 0.00 C ATOM 414 O CYS A 29 1.137 -5.974 5.938 1.00 0.00 O ATOM 415 CB CYS A 29 3.101 -3.893 5.857 1.00 0.00 C ATOM 416 SG CYS A 29 3.897 -2.384 6.445 1.00 0.00 S ATOM 0 H CYS A 29 1.729 -2.835 7.350 1.00 0.00 H new ATOM 0 HA CYS A 29 1.469 -3.032 4.588 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.145 -4.650 6.640 1.00 0.00 H new ATOM 0 HB3 CYS A 29 3.657 -4.283 5.004 1.00 0.00 H new ATOM 421 N THR A 30 0.585 -5.252 3.852 1.00 0.00 N ATOM 422 CA THR A 30 0.104 -6.577 3.439 1.00 0.00 C ATOM 423 C THR A 30 0.900 -7.042 2.218 1.00 0.00 C ATOM 424 O THR A 30 1.645 -6.291 1.612 1.00 0.00 O ATOM 425 CB THR A 30 -1.413 -6.611 3.177 1.00 0.00 C ATOM 426 OG1 THR A 30 -1.737 -7.976 2.942 1.00 0.00 O ATOM 427 CG2 THR A 30 -1.844 -5.756 1.965 1.00 0.00 C ATOM 0 H THR A 30 0.514 -4.522 3.143 1.00 0.00 H new ATOM 0 HA THR A 30 0.269 -7.269 4.265 1.00 0.00 H new ATOM 0 HB THR A 30 -1.939 -6.189 4.034 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.696 -8.114 3.087 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.924 -5.825 1.837 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.564 -4.716 2.135 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.348 -6.123 1.066 1.00 0.00 H new ATOM 435 N THR A 31 0.689 -8.330 1.909 1.00 0.00 N ATOM 436 CA THR A 31 1.301 -8.989 0.759 1.00 0.00 C ATOM 437 C THR A 31 0.217 -9.463 -0.234 1.00 0.00 C ATOM 438 O THR A 31 0.520 -10.018 -1.281 1.00 0.00 O ATOM 439 CB THR A 31 2.167 -10.162 1.280 1.00 0.00 C ATOM 440 OG1 THR A 31 2.237 -10.125 2.695 1.00 0.00 O ATOM 441 CG2 THR A 31 3.586 -10.145 0.691 1.00 0.00 C ATOM 0 H THR A 31 0.084 -8.942 2.457 1.00 0.00 H new ATOM 0 HA THR A 31 1.938 -8.293 0.213 1.00 0.00 H new ATOM 0 HB THR A 31 1.686 -11.085 0.956 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.495 -11.008 3.033 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.154 -10.987 1.087 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.530 -10.223 -0.395 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.082 -9.213 0.963 1.00 0.00 H new ATOM 449 N GLU A 32 -1.062 -9.228 0.134 1.00 0.00 N ATOM 450 CA GLU A 32 -2.164 -9.657 -0.718 1.00 0.00 C ATOM 451 C GLU A 32 -2.059 -8.993 -2.101 1.00 0.00 C ATOM 452 O GLU A 32 -2.125 -7.778 -2.224 1.00 0.00 O ATOM 453 CB GLU A 32 -3.477 -9.262 -0.028 1.00 0.00 C ATOM 454 CG GLU A 32 -3.761 -10.121 1.215 1.00 0.00 C ATOM 455 CD GLU A 32 -4.743 -9.410 2.153 1.00 0.00 C ATOM 456 OE1 GLU A 32 -5.921 -9.316 1.826 1.00 0.00 O ATOM 457 OE2 GLU A 32 -4.318 -8.934 3.200 1.00 0.00 O ATOM 0 H GLU A 32 -1.340 -8.756 0.994 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.130 -10.736 -0.866 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.432 -8.212 0.261 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.301 -9.364 -0.734 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.173 -11.084 0.911 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.829 -10.325 1.743 1.00 0.00 H new ATOM 464 N GLY A 33 -1.883 -9.858 -3.118 1.00 0.00 N ATOM 465 CA GLY A 33 -1.778 -9.385 -4.495 1.00 0.00 C ATOM 466 C GLY A 33 -0.359 -9.513 -5.064 1.00 0.00 C ATOM 467 O GLY A 33 -0.172 -9.401 -6.268 1.00 0.00 O ATOM 0 H GLY A 33 -1.813 -10.870 -3.007 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.468 -9.951 -5.122 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.089 -8.341 -4.540 1.00 0.00 H new ATOM 471 N ARG A 34 0.623 -9.758 -4.171 1.00 0.00 N ATOM 472 CA ARG A 34 2.005 -9.904 -4.676 1.00 0.00 C ATOM 473 C ARG A 34 2.516 -11.314 -4.362 1.00 0.00 C ATOM 474 O ARG A 34 2.365 -11.832 -3.265 1.00 0.00 O ATOM 475 CB ARG A 34 2.926 -8.888 -3.994 1.00 0.00 C ATOM 476 CG ARG A 34 2.536 -7.439 -4.322 1.00 0.00 C ATOM 477 CD ARG A 34 3.710 -6.466 -4.092 1.00 0.00 C ATOM 478 NE ARG A 34 4.655 -6.570 -5.219 1.00 0.00 N ATOM 479 CZ ARG A 34 4.650 -5.714 -6.268 1.00 0.00 C ATOM 480 NH1 ARG A 34 3.767 -4.724 -6.328 1.00 0.00 N ATOM 481 NH2 ARG A 34 5.538 -5.870 -7.240 1.00 0.00 N ATOM 0 H ARG A 34 0.502 -9.854 -3.163 1.00 0.00 H new ATOM 0 HA ARG A 34 2.005 -9.732 -5.752 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.891 -9.036 -2.915 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.955 -9.065 -4.307 1.00 0.00 H new ATOM 0 HG2 ARG A 34 2.209 -7.376 -5.360 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.690 -7.141 -3.703 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.340 -5.445 -4.006 1.00 0.00 H new ATOM 0 HD3 ARG A 34 4.215 -6.702 -3.155 1.00 0.00 H new ATOM 0 HE ARG A 34 5.344 -7.322 -5.208 1.00 0.00 H new ATOM 0 HH11 ARG A 34 3.085 -4.603 -5.580 1.00 0.00 H new ATOM 0 HH12 ARG A 34 3.771 -4.084 -7.122 1.00 0.00 H new ATOM 0 HH21 ARG A 34 6.217 -6.630 -7.193 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.542 -5.230 -8.034 1.00 0.00 H new ATOM 495 N THR A 35 3.157 -11.881 -5.396 1.00 0.00 N ATOM 496 CA THR A 35 3.735 -13.213 -5.334 1.00 0.00 C ATOM 497 C THR A 35 5.269 -13.138 -5.456 1.00 0.00 C ATOM 498 O THR A 35 5.931 -14.139 -5.698 1.00 0.00 O ATOM 499 CB THR A 35 3.135 -13.986 -6.518 1.00 0.00 C ATOM 500 OG1 THR A 35 3.156 -13.101 -7.631 1.00 0.00 O ATOM 501 CG2 THR A 35 1.691 -14.420 -6.221 1.00 0.00 C ATOM 0 H THR A 35 3.284 -11.419 -6.297 1.00 0.00 H new ATOM 0 HA THR A 35 3.515 -13.704 -4.386 1.00 0.00 H new ATOM 0 HB THR A 35 3.709 -14.892 -6.713 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.782 -13.553 -8.416 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.292 -14.965 -7.076 1.00 0.00 H new ATOM 0 HG22 THR A 35 1.678 -15.064 -5.342 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.077 -13.539 -6.034 1.00 0.00 H new ATOM 509 N ASP A 36 5.792 -11.907 -5.268 1.00 0.00 N ATOM 510 CA ASP A 36 7.226 -11.651 -5.399 1.00 0.00 C ATOM 511 C ASP A 36 7.917 -11.457 -4.033 1.00 0.00 C ATOM 512 O ASP A 36 9.126 -11.275 -3.966 1.00 0.00 O ATOM 513 CB ASP A 36 7.435 -10.427 -6.311 1.00 0.00 C ATOM 514 CG ASP A 36 6.778 -9.129 -5.811 1.00 0.00 C ATOM 515 OD1 ASP A 36 6.325 -9.062 -4.670 1.00 0.00 O ATOM 516 OD2 ASP A 36 6.721 -8.170 -6.573 1.00 0.00 O ATOM 0 H ASP A 36 5.239 -11.085 -5.027 1.00 0.00 H new ATOM 0 HA ASP A 36 7.693 -12.527 -5.849 1.00 0.00 H new ATOM 0 HB2 ASP A 36 8.505 -10.255 -6.425 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.042 -10.658 -7.301 1.00 0.00 H new ATOM 521 N GLY A 37 7.106 -11.545 -2.953 1.00 0.00 N ATOM 522 CA GLY A 37 7.656 -11.463 -1.601 1.00 0.00 C ATOM 523 C GLY A 37 7.424 -10.117 -0.913 1.00 0.00 C ATOM 524 O GLY A 37 7.424 -10.025 0.308 1.00 0.00 O ATOM 0 H GLY A 37 6.095 -11.670 -2.999 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.214 -12.251 -0.992 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.728 -11.657 -1.644 1.00 0.00 H new ATOM 528 N TYR A 38 7.285 -9.074 -1.746 1.00 0.00 N ATOM 529 CA TYR A 38 7.254 -7.724 -1.189 1.00 0.00 C ATOM 530 C TYR A 38 5.897 -7.362 -0.574 1.00 0.00 C ATOM 531 O TYR A 38 4.830 -7.671 -1.090 1.00 0.00 O ATOM 532 CB TYR A 38 7.753 -6.748 -2.272 1.00 0.00 C ATOM 533 CG TYR A 38 9.067 -7.266 -2.798 1.00 0.00 C ATOM 534 CD1 TYR A 38 10.130 -7.524 -1.945 1.00 0.00 C ATOM 535 CD2 TYR A 38 9.232 -7.587 -4.133 1.00 0.00 C ATOM 536 CE1 TYR A 38 11.273 -8.144 -2.392 1.00 0.00 C ATOM 537 CE2 TYR A 38 10.374 -8.208 -4.585 1.00 0.00 C ATOM 538 CZ TYR A 38 11.407 -8.506 -3.717 1.00 0.00 C ATOM 539 OH TYR A 38 12.541 -9.159 -4.151 1.00 0.00 O ATOM 0 H TYR A 38 7.196 -9.136 -2.760 1.00 0.00 H new ATOM 0 HA TYR A 38 7.929 -7.656 -0.336 1.00 0.00 H new ATOM 0 HB2 TYR A 38 7.024 -6.669 -3.079 1.00 0.00 H new ATOM 0 HB3 TYR A 38 7.877 -5.748 -1.856 1.00 0.00 H new ATOM 0 HD1 TYR A 38 10.058 -7.232 -0.908 1.00 0.00 H new ATOM 0 HD2 TYR A 38 8.448 -7.345 -4.836 1.00 0.00 H new ATOM 0 HE1 TYR A 38 12.075 -8.350 -1.698 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.464 -8.465 -5.630 1.00 0.00 H new ATOM 0 HH TYR A 38 12.467 -9.339 -5.111 1.00 0.00 H new ATOM 549 N ARG A 39 6.031 -6.684 0.581 1.00 0.00 N ATOM 550 CA ARG A 39 4.827 -6.211 1.294 1.00 0.00 C ATOM 551 C ARG A 39 4.598 -4.769 0.815 1.00 0.00 C ATOM 552 O ARG A 39 5.544 -3.990 0.722 1.00 0.00 O ATOM 553 CB ARG A 39 5.098 -6.234 2.812 1.00 0.00 C ATOM 554 CG ARG A 39 5.467 -7.622 3.357 1.00 0.00 C ATOM 555 CD ARG A 39 5.443 -7.653 4.903 1.00 0.00 C ATOM 556 NE ARG A 39 4.077 -7.565 5.425 1.00 0.00 N ATOM 557 CZ ARG A 39 3.238 -8.623 5.429 1.00 0.00 C ATOM 558 NH1 ARG A 39 3.658 -9.800 4.975 1.00 0.00 N ATOM 559 NH2 ARG A 39 1.991 -8.474 5.868 1.00 0.00 N ATOM 0 H ARG A 39 6.920 -6.458 1.027 1.00 0.00 H new ATOM 0 HA ARG A 39 3.956 -6.836 1.097 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.907 -5.539 3.037 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.212 -5.873 3.335 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.770 -8.363 2.967 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.459 -7.900 3.003 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.909 -8.573 5.256 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.036 -6.826 5.293 1.00 0.00 H new ATOM 0 HE ARG A 39 3.749 -6.674 5.798 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.611 -9.901 4.625 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.027 -10.602 4.976 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.672 -7.564 6.200 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.354 -9.270 5.873 1.00 0.00 H new ATOM 573 N TRP A 40 3.324 -4.462 0.494 1.00 0.00 N ATOM 574 CA TRP A 40 2.941 -3.152 0.003 1.00 0.00 C ATOM 575 C TRP A 40 1.900 -2.509 0.944 1.00 0.00 C ATOM 576 O TRP A 40 1.238 -3.177 1.735 1.00 0.00 O ATOM 577 CB TRP A 40 2.406 -3.269 -1.442 1.00 0.00 C ATOM 578 CG TRP A 40 1.117 -4.074 -1.515 1.00 0.00 C ATOM 579 CD1 TRP A 40 1.023 -5.470 -1.568 1.00 0.00 C ATOM 580 CD2 TRP A 40 -0.245 -3.579 -1.567 1.00 0.00 C ATOM 581 NE1 TRP A 40 -0.278 -5.832 -1.655 1.00 0.00 N ATOM 582 CE2 TRP A 40 -1.085 -4.709 -1.659 1.00 0.00 C ATOM 583 CE3 TRP A 40 -0.800 -2.327 -1.550 1.00 0.00 C ATOM 584 CZ2 TRP A 40 -2.442 -4.559 -1.730 1.00 0.00 C ATOM 585 CZ3 TRP A 40 -2.190 -2.163 -1.620 1.00 0.00 C ATOM 586 CH2 TRP A 40 -3.011 -3.289 -1.714 1.00 0.00 C ATOM 0 H TRP A 40 2.548 -5.120 0.572 1.00 0.00 H new ATOM 0 HA TRP A 40 3.816 -2.502 -0.012 1.00 0.00 H new ATOM 0 HB2 TRP A 40 2.232 -2.271 -1.845 1.00 0.00 H new ATOM 0 HB3 TRP A 40 3.162 -3.740 -2.070 1.00 0.00 H new ATOM 0 HD1 TRP A 40 1.860 -6.153 -1.543 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -0.614 -6.793 -1.710 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -0.161 -1.459 -1.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.076 -5.431 -1.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.623 -1.174 -1.601 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -4.083 -3.175 -1.774 1.00 0.00 H new ATOM 597 N CYS A 41 1.794 -1.176 0.778 1.00 0.00 N ATOM 598 CA CYS A 41 0.815 -0.347 1.452 1.00 0.00 C ATOM 599 C CYS A 41 0.081 0.424 0.349 1.00 0.00 C ATOM 600 O CYS A 41 0.676 0.791 -0.660 1.00 0.00 O ATOM 601 CB CYS A 41 1.510 0.648 2.385 1.00 0.00 C ATOM 602 SG CYS A 41 2.563 1.829 1.481 1.00 0.00 S ATOM 0 H CYS A 41 2.406 -0.649 0.155 1.00 0.00 H new ATOM 0 HA CYS A 41 0.136 -0.953 2.052 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.758 1.196 2.952 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.118 0.102 3.106 1.00 0.00 H new ATOM 607 N GLY A 42 -1.222 0.647 0.571 1.00 0.00 N ATOM 608 CA GLY A 42 -1.972 1.426 -0.402 1.00 0.00 C ATOM 609 C GLY A 42 -1.769 2.914 -0.094 1.00 0.00 C ATOM 610 O GLY A 42 -1.416 3.274 1.025 1.00 0.00 O ATOM 0 H GLY A 42 -1.751 0.314 1.377 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.632 1.199 -1.412 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.031 1.171 -0.357 1.00 0.00 H new ATOM 614 N THR A 43 -2.071 3.751 -1.103 1.00 0.00 N ATOM 615 CA THR A 43 -2.154 5.183 -0.848 1.00 0.00 C ATOM 616 C THR A 43 -3.638 5.512 -1.022 1.00 0.00 C ATOM 617 O THR A 43 -4.395 4.718 -1.566 1.00 0.00 O ATOM 618 CB THR A 43 -1.246 6.059 -1.720 1.00 0.00 C ATOM 619 OG1 THR A 43 -1.452 5.740 -3.086 1.00 0.00 O ATOM 620 CG2 THR A 43 0.226 5.923 -1.308 1.00 0.00 C ATOM 0 H THR A 43 -2.254 3.466 -2.065 1.00 0.00 H new ATOM 0 HA THR A 43 -1.780 5.412 0.150 1.00 0.00 H new ATOM 0 HB THR A 43 -1.509 7.106 -1.570 1.00 0.00 H new ATOM 0 HG1 THR A 43 -1.139 6.481 -3.646 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.842 6.557 -1.946 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.343 6.231 -0.269 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.540 4.885 -1.416 1.00 0.00 H new ATOM 628 N THR A 44 -3.974 6.704 -0.492 1.00 0.00 N ATOM 629 CA THR A 44 -5.339 7.214 -0.438 1.00 0.00 C ATOM 630 C THR A 44 -6.114 6.417 0.621 1.00 0.00 C ATOM 631 O THR A 44 -5.667 5.396 1.133 1.00 0.00 O ATOM 632 CB THR A 44 -6.081 7.274 -1.800 1.00 0.00 C ATOM 633 OG1 THR A 44 -6.784 6.064 -2.030 1.00 0.00 O ATOM 634 CG2 THR A 44 -5.136 7.641 -2.960 1.00 0.00 C ATOM 0 H THR A 44 -3.288 7.341 -0.086 1.00 0.00 H new ATOM 0 HA THR A 44 -5.280 8.265 -0.154 1.00 0.00 H new ATOM 0 HB THR A 44 -6.815 8.079 -1.754 1.00 0.00 H new ATOM 0 HG1 THR A 44 -7.273 6.126 -2.877 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.699 7.671 -3.893 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.692 8.619 -2.772 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.347 6.893 -3.037 1.00 0.00 H new ATOM 642 N GLU A 45 -7.298 6.962 0.928 1.00 0.00 N ATOM 643 CA GLU A 45 -8.184 6.280 1.848 1.00 0.00 C ATOM 644 C GLU A 45 -8.766 5.011 1.189 1.00 0.00 C ATOM 645 O GLU A 45 -9.124 4.060 1.874 1.00 0.00 O ATOM 646 CB GLU A 45 -9.269 7.251 2.372 1.00 0.00 C ATOM 647 CG GLU A 45 -10.509 7.487 1.475 1.00 0.00 C ATOM 648 CD GLU A 45 -10.274 8.234 0.146 1.00 0.00 C ATOM 649 OE1 GLU A 45 -9.328 7.941 -0.580 1.00 0.00 O ATOM 650 OE2 GLU A 45 -11.077 9.096 -0.194 1.00 0.00 O ATOM 0 H GLU A 45 -7.647 7.847 0.560 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.622 5.947 2.720 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.617 6.879 3.336 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.797 8.216 2.555 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.952 6.518 1.246 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.245 8.046 2.053 1.00 0.00 H new ATOM 657 N ASP A 46 -8.870 5.068 -0.164 1.00 0.00 N ATOM 658 CA ASP A 46 -9.488 3.986 -0.930 1.00 0.00 C ATOM 659 C ASP A 46 -8.584 3.517 -2.088 1.00 0.00 C ATOM 660 O ASP A 46 -8.525 4.106 -3.165 1.00 0.00 O ATOM 661 CB ASP A 46 -10.897 4.413 -1.383 1.00 0.00 C ATOM 662 CG ASP A 46 -11.730 3.185 -1.752 1.00 0.00 C ATOM 663 OD1 ASP A 46 -11.457 2.595 -2.791 1.00 0.00 O ATOM 664 OD2 ASP A 46 -12.630 2.827 -0.993 1.00 0.00 O ATOM 0 H ASP A 46 -8.534 5.848 -0.730 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.603 3.111 -0.290 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.390 4.969 -0.586 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.824 5.082 -2.240 1.00 0.00 H new ATOM 669 N TYR A 47 -7.889 2.398 -1.795 1.00 0.00 N ATOM 670 CA TYR A 47 -6.994 1.807 -2.792 1.00 0.00 C ATOM 671 C TYR A 47 -7.804 1.192 -3.933 1.00 0.00 C ATOM 672 O TYR A 47 -7.384 1.193 -5.083 1.00 0.00 O ATOM 673 CB TYR A 47 -6.157 0.694 -2.136 1.00 0.00 C ATOM 674 CG TYR A 47 -5.242 0.032 -3.127 1.00 0.00 C ATOM 675 CD1 TYR A 47 -4.030 0.612 -3.444 1.00 0.00 C ATOM 676 CD2 TYR A 47 -5.590 -1.164 -3.743 1.00 0.00 C ATOM 677 CE1 TYR A 47 -3.167 -0.006 -4.328 1.00 0.00 C ATOM 678 CE2 TYR A 47 -4.712 -1.797 -4.609 1.00 0.00 C ATOM 679 CZ TYR A 47 -3.490 -1.217 -4.904 1.00 0.00 C ATOM 680 OH TYR A 47 -2.591 -1.816 -5.761 1.00 0.00 O ATOM 0 H TYR A 47 -7.931 1.904 -0.904 1.00 0.00 H new ATOM 0 HA TYR A 47 -6.345 2.591 -3.183 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -5.568 1.114 -1.320 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.821 -0.052 -1.699 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -3.754 1.556 -2.997 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -6.556 -1.605 -3.545 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.226 0.466 -4.572 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -4.981 -2.743 -5.054 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.962 -2.663 -6.084 1.00 0.00 H new ATOM 690 N ASP A 48 -8.976 0.650 -3.558 1.00 0.00 N ATOM 691 CA ASP A 48 -9.788 -0.013 -4.571 1.00 0.00 C ATOM 692 C ASP A 48 -10.139 0.944 -5.727 1.00 0.00 C ATOM 693 O ASP A 48 -10.212 0.563 -6.891 1.00 0.00 O ATOM 694 CB ASP A 48 -11.081 -0.603 -3.965 1.00 0.00 C ATOM 695 CG ASP A 48 -10.774 -1.779 -3.026 1.00 0.00 C ATOM 696 OD1 ASP A 48 -10.023 -2.663 -3.435 1.00 0.00 O ATOM 697 OD2 ASP A 48 -11.279 -1.819 -1.902 1.00 0.00 O ATOM 0 H ASP A 48 -9.360 0.658 -2.613 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.189 -0.832 -4.969 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.614 0.173 -3.416 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.740 -0.937 -4.766 1.00 0.00 H new ATOM 702 N ARG A 49 -10.353 2.213 -5.347 1.00 0.00 N ATOM 703 CA ARG A 49 -10.671 3.250 -6.315 1.00 0.00 C ATOM 704 C ARG A 49 -9.425 3.662 -7.149 1.00 0.00 C ATOM 705 O ARG A 49 -9.440 3.538 -8.372 1.00 0.00 O ATOM 706 CB ARG A 49 -11.323 4.434 -5.562 1.00 0.00 C ATOM 707 CG ARG A 49 -11.731 5.655 -6.415 1.00 0.00 C ATOM 708 CD ARG A 49 -11.178 6.959 -5.784 1.00 0.00 C ATOM 709 NE ARG A 49 -11.961 7.316 -4.592 1.00 0.00 N ATOM 710 CZ ARG A 49 -11.423 7.673 -3.398 1.00 0.00 C ATOM 711 NH1 ARG A 49 -10.114 7.678 -3.178 1.00 0.00 N ATOM 712 NH2 ARG A 49 -12.233 8.031 -2.409 1.00 0.00 N ATOM 0 H ARG A 49 -10.310 2.535 -4.380 1.00 0.00 H new ATOM 0 HA ARG A 49 -11.384 2.873 -7.048 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -12.211 4.064 -5.050 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.629 4.772 -4.793 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.349 5.543 -7.430 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.817 5.710 -6.488 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.131 6.825 -5.514 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.219 7.770 -6.511 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.978 7.294 -4.667 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.471 7.407 -3.922 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.751 7.953 -2.265 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -13.243 8.035 -2.553 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.846 8.302 -1.505 1.00 0.00 H new ATOM 726 N ASP A 50 -8.389 4.170 -6.446 1.00 0.00 N ATOM 727 CA ASP A 50 -7.198 4.764 -7.079 1.00 0.00 C ATOM 728 C ASP A 50 -6.124 3.782 -7.620 1.00 0.00 C ATOM 729 O ASP A 50 -5.448 4.039 -8.615 1.00 0.00 O ATOM 730 CB ASP A 50 -6.534 5.686 -6.038 1.00 0.00 C ATOM 731 CG ASP A 50 -7.498 6.794 -5.592 1.00 0.00 C ATOM 732 OD1 ASP A 50 -7.844 7.648 -6.402 1.00 0.00 O ATOM 733 OD2 ASP A 50 -7.909 6.796 -4.435 1.00 0.00 O ATOM 0 H ASP A 50 -8.358 4.178 -5.427 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.567 5.277 -7.967 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.223 5.100 -5.173 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.634 6.131 -6.462 1.00 0.00 H new ATOM 738 N LYS A 51 -5.942 2.681 -6.873 1.00 0.00 N ATOM 739 CA LYS A 51 -4.935 1.662 -7.163 1.00 0.00 C ATOM 740 C LYS A 51 -3.531 2.252 -7.276 1.00 0.00 C ATOM 741 O LYS A 51 -2.894 2.148 -8.318 1.00 0.00 O ATOM 742 CB LYS A 51 -5.181 0.856 -8.457 1.00 0.00 C ATOM 743 CG LYS A 51 -6.529 0.116 -8.486 1.00 0.00 C ATOM 744 CD LYS A 51 -7.723 1.056 -8.669 1.00 0.00 C ATOM 745 CE LYS A 51 -8.889 0.429 -9.437 1.00 0.00 C ATOM 746 NZ LYS A 51 -10.075 1.270 -9.331 1.00 0.00 N ATOM 0 H LYS A 51 -6.499 2.476 -6.043 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.020 0.990 -6.309 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.131 1.533 -9.310 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.377 0.130 -8.579 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.520 -0.613 -9.296 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.651 -0.441 -7.557 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.076 1.376 -7.688 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.392 1.951 -9.196 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.617 0.303 -10.485 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.102 -0.564 -9.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.705 1.085 -10.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.575 1.055 -8.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.792 2.271 -9.335 1.00 0.00 H new ATOM 760 N LYS A 52 -3.070 2.862 -6.182 1.00 0.00 N ATOM 761 CA LYS A 52 -1.701 3.351 -6.151 1.00 0.00 C ATOM 762 C LYS A 52 -1.116 2.834 -4.840 1.00 0.00 C ATOM 763 O LYS A 52 -1.806 2.791 -3.826 1.00 0.00 O ATOM 764 CB LYS A 52 -1.642 4.878 -6.234 1.00 0.00 C ATOM 765 CG LYS A 52 -1.914 5.422 -7.645 1.00 0.00 C ATOM 766 CD LYS A 52 -0.810 5.089 -8.675 1.00 0.00 C ATOM 767 CE LYS A 52 -1.119 3.929 -9.636 1.00 0.00 C ATOM 768 NZ LYS A 52 -2.514 3.864 -10.083 1.00 0.00 N ATOM 0 H LYS A 52 -3.610 3.023 -5.332 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.131 2.997 -7.010 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.371 5.301 -5.543 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.659 5.215 -5.906 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.862 5.019 -8.002 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.029 6.504 -7.589 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.610 5.982 -9.267 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.106 4.853 -8.134 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.474 4.017 -10.511 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.864 2.990 -9.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.553 3.465 -11.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.059 3.260 -9.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.921 4.821 -10.089 1.00 0.00 H new ATOM 782 N TYR A 53 0.151 2.390 -4.926 1.00 0.00 N ATOM 783 CA TYR A 53 0.777 1.795 -3.760 1.00 0.00 C ATOM 784 C TYR A 53 2.252 2.178 -3.643 1.00 0.00 C ATOM 785 O TYR A 53 2.865 2.797 -4.505 1.00 0.00 O ATOM 786 CB TYR A 53 0.608 0.259 -3.806 1.00 0.00 C ATOM 787 CG TYR A 53 1.431 -0.416 -4.871 1.00 0.00 C ATOM 788 CD1 TYR A 53 0.925 -0.602 -6.150 1.00 0.00 C ATOM 789 CD2 TYR A 53 2.705 -0.886 -4.580 1.00 0.00 C ATOM 790 CE1 TYR A 53 1.661 -1.282 -7.112 1.00 0.00 C ATOM 791 CE2 TYR A 53 3.450 -1.554 -5.538 1.00 0.00 C ATOM 792 CZ TYR A 53 2.924 -1.770 -6.801 1.00 0.00 C ATOM 793 OH TYR A 53 3.661 -2.495 -7.722 1.00 0.00 O ATOM 0 H TYR A 53 0.733 2.434 -5.763 1.00 0.00 H new ATOM 0 HA TYR A 53 0.279 2.185 -2.872 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.879 -0.155 -2.835 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.444 0.024 -3.971 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.051 -0.214 -6.400 1.00 0.00 H new ATOM 0 HD2 TYR A 53 3.120 -0.729 -3.595 1.00 0.00 H new ATOM 0 HE1 TYR A 53 1.252 -1.431 -8.100 1.00 0.00 H new ATOM 0 HE2 TYR A 53 4.443 -1.907 -5.300 1.00 0.00 H new ATOM 0 HH TYR A 53 4.617 -2.366 -7.550 1.00 0.00 H new ATOM 803 N GLY A 54 2.751 1.718 -2.491 1.00 0.00 N ATOM 804 CA GLY A 54 4.137 1.868 -2.082 1.00 0.00 C ATOM 805 C GLY A 54 4.585 0.542 -1.438 1.00 0.00 C ATOM 806 O GLY A 54 3.755 -0.339 -1.231 1.00 0.00 O ATOM 0 H GLY A 54 2.182 1.220 -1.806 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.765 2.107 -2.940 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.239 2.690 -1.374 1.00 0.00 H new ATOM 810 N PHE A 55 5.896 0.433 -1.115 1.00 0.00 N ATOM 811 CA PHE A 55 6.401 -0.767 -0.449 1.00 0.00 C ATOM 812 C PHE A 55 6.493 -0.440 1.040 1.00 0.00 C ATOM 813 O PHE A 55 6.533 0.712 1.451 1.00 0.00 O ATOM 814 CB PHE A 55 7.742 -1.275 -1.008 1.00 0.00 C ATOM 815 CG PHE A 55 7.581 -1.788 -2.413 1.00 0.00 C ATOM 816 CD1 PHE A 55 6.772 -2.888 -2.680 1.00 0.00 C ATOM 817 CD2 PHE A 55 8.230 -1.166 -3.468 1.00 0.00 C ATOM 818 CE1 PHE A 55 6.600 -3.335 -3.982 1.00 0.00 C ATOM 819 CE2 PHE A 55 8.058 -1.607 -4.771 1.00 0.00 C ATOM 820 CZ PHE A 55 7.240 -2.695 -5.033 1.00 0.00 C ATOM 0 H PHE A 55 6.599 1.148 -1.303 1.00 0.00 H new ATOM 0 HA PHE A 55 5.714 -1.593 -0.632 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.475 -0.468 -0.993 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.129 -2.069 -0.369 1.00 0.00 H new ATOM 0 HD1 PHE A 55 6.274 -3.397 -1.868 1.00 0.00 H new ATOM 0 HD2 PHE A 55 8.879 -0.325 -3.272 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.964 -4.186 -4.178 1.00 0.00 H new ATOM 0 HE2 PHE A 55 8.562 -1.103 -5.582 1.00 0.00 H new ATOM 0 HZ PHE A 55 7.102 -3.041 -6.047 1.00 0.00 H new ATOM 830 N CYS A 56 6.434 -1.538 1.801 1.00 0.00 N ATOM 831 CA CYS A 56 6.350 -1.439 3.272 1.00 0.00 C ATOM 832 C CYS A 56 7.596 -2.163 3.823 1.00 0.00 C ATOM 833 O CYS A 56 8.306 -2.816 3.069 1.00 0.00 O ATOM 834 CB CYS A 56 5.034 -2.157 3.690 1.00 0.00 C ATOM 835 SG CYS A 56 3.907 -1.231 4.768 1.00 0.00 S ATOM 0 H CYS A 56 6.442 -2.491 1.437 1.00 0.00 H new ATOM 0 HA CYS A 56 6.331 -0.417 3.651 1.00 0.00 H new ATOM 0 HB2 CYS A 56 4.492 -2.428 2.784 1.00 0.00 H new ATOM 0 HB3 CYS A 56 5.299 -3.087 4.193 1.00 0.00 H new ATOM 840 N PRO A 57 7.854 -2.043 5.156 1.00 0.00 N ATOM 841 CA PRO A 57 8.910 -2.825 5.799 1.00 0.00 C ATOM 842 C PRO A 57 8.538 -4.321 5.856 1.00 0.00 C ATOM 843 O PRO A 57 7.457 -4.729 5.448 1.00 0.00 O ATOM 844 CB PRO A 57 9.027 -2.211 7.203 1.00 0.00 C ATOM 845 CG PRO A 57 7.664 -1.564 7.461 1.00 0.00 C ATOM 846 CD PRO A 57 7.151 -1.154 6.079 1.00 0.00 C ATOM 0 HA PRO A 57 9.854 -2.787 5.255 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.251 -2.972 7.950 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.829 -1.475 7.247 1.00 0.00 H new ATOM 0 HG2 PRO A 57 6.981 -2.263 7.944 1.00 0.00 H new ATOM 0 HG3 PRO A 57 7.756 -0.701 8.120 1.00 0.00 H new ATOM 0 HD2 PRO A 57 6.070 -1.276 6.003 1.00 0.00 H new ATOM 0 HD3 PRO A 57 7.370 -0.107 5.868 1.00 0.00 H new ATOM 854 N GLU A 58 9.524 -5.101 6.363 1.00 0.00 N ATOM 855 CA GLU A 58 9.345 -6.576 6.489 1.00 0.00 C ATOM 856 C GLU A 58 9.030 -7.206 5.109 1.00 0.00 C ATOM 857 O GLU A 58 8.288 -8.167 4.960 1.00 0.00 O ATOM 858 CB GLU A 58 8.251 -6.847 7.543 1.00 0.00 C ATOM 859 CG GLU A 58 8.308 -8.255 8.157 1.00 0.00 C ATOM 860 CD GLU A 58 9.581 -8.503 8.989 1.00 0.00 C ATOM 861 OE1 GLU A 58 10.119 -7.551 9.556 1.00 0.00 O ATOM 862 OE2 GLU A 58 10.021 -9.648 9.058 1.00 0.00 O ATOM 0 H GLU A 58 10.427 -4.751 6.684 1.00 0.00 H new ATOM 0 HA GLU A 58 10.266 -7.049 6.829 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.340 -6.110 8.341 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.274 -6.702 7.083 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.433 -8.404 8.790 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.254 -8.995 7.359 1.00 0.00 H new ATOM 869 N THR A 59 9.646 -6.548 4.113 1.00 0.00 N ATOM 870 CA THR A 59 9.483 -6.869 2.699 1.00 0.00 C ATOM 871 C THR A 59 10.727 -7.621 2.180 1.00 0.00 C ATOM 872 O THR A 59 10.697 -8.331 1.183 1.00 0.00 O ATOM 873 CB THR A 59 9.220 -5.517 2.002 1.00 0.00 C ATOM 874 OG1 THR A 59 8.702 -5.691 0.695 1.00 0.00 O ATOM 875 CG2 THR A 59 10.462 -4.600 1.986 1.00 0.00 C ATOM 0 H THR A 59 10.280 -5.766 4.278 1.00 0.00 H new ATOM 0 HA THR A 59 8.652 -7.545 2.497 1.00 0.00 H new ATOM 0 HB THR A 59 8.462 -5.013 2.601 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.037 -4.995 0.511 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.217 -3.664 1.483 1.00 0.00 H new ATOM 0 HG22 THR A 59 10.773 -4.391 3.010 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.274 -5.096 1.454 1.00 0.00 H new ATOM 883 N ALA A 60 11.815 -7.410 2.939 1.00 0.00 N ATOM 884 CA ALA A 60 13.115 -7.996 2.686 1.00 0.00 C ATOM 885 C ALA A 60 13.979 -7.709 3.926 1.00 0.00 C ATOM 886 O ALA A 60 13.622 -6.810 4.694 1.00 0.00 O ATOM 887 CB ALA A 60 13.753 -7.373 1.438 1.00 0.00 C ATOM 888 OXT ALA A 60 14.989 -8.384 4.110 1.00 0.00 O ATOM 0 H ALA A 60 11.800 -6.810 3.764 1.00 0.00 H new ATOM 0 HA ALA A 60 13.029 -9.068 2.506 1.00 0.00 H new ATOM 0 HB1 ALA A 60 14.729 -7.826 1.264 1.00 0.00 H new ATOM 0 HB2 ALA A 60 13.112 -7.550 0.575 1.00 0.00 H new ATOM 0 HB3 ALA A 60 13.872 -6.300 1.587 1.00 0.00 H new TER 894 ALA A 60