USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 381 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 18 ASN : amide:sc= 1.01 K(o=2.2,f=-2.1) USER MOD Set 1.2: B 30 THR OG1 : rot 175:sc= 1.2 USER MOD Set 2.1: A 5 GLN : amide:sc= 1.69 K(o=2.6,f=-0.19) USER MOD Set 2.2: A 15 GLN : amide:sc= 0.928 K(o=2.6,f=0.8) USER MOD Set 2.3: A 19 TYR OH : rot -135:sc= 0.0148 USER MOD Single : A 1 GLY N :NH3+ 150:sc= 1.28 (180deg=0.749) USER MOD Single : A 8 THR OG1 : rot 79:sc= 0.752 USER MOD Single : A 9 SER OG : rot 180:sc= 0.144 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.862 K(o=0.86,f=-0.023) USER MOD Single : B 1 PHE N :NH3+ -112:sc= 0.0931 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HE2:sc= 0.905 K(o=0.91,f=-2.8!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HE2:sc= 0.105 K(o=0.1,f=-0.52) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.846 4.944 -1.651 1.00 0.00 N ATOM 2 CA GLY A 1 -3.730 4.523 -3.063 1.00 0.00 C ATOM 3 C GLY A 1 -2.429 3.778 -3.325 1.00 0.00 C ATOM 4 O GLY A 1 -1.420 4.041 -2.674 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.407 5.818 -1.594 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.315 4.195 -1.103 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.897 5.116 -1.261 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.574 3.883 -3.322 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.784 5.399 -3.709 1.00 0.00 H new ATOM 10 N ILE A 2 -2.414 2.855 -4.298 1.00 0.00 N ATOM 11 CA ILE A 2 -1.236 2.023 -4.631 1.00 0.00 C ATOM 12 C ILE A 2 -0.054 2.829 -5.203 1.00 0.00 C ATOM 13 O ILE A 2 1.106 2.544 -4.895 1.00 0.00 O ATOM 14 CB ILE A 2 -1.664 0.877 -5.576 1.00 0.00 C ATOM 15 CG1 ILE A 2 -0.553 -0.189 -5.655 1.00 0.00 C ATOM 16 CG2 ILE A 2 -2.121 1.383 -6.959 1.00 0.00 C ATOM 17 CD1 ILE A 2 -0.913 -1.392 -6.528 1.00 0.00 C ATOM 0 H ILE A 2 -3.225 2.659 -4.885 1.00 0.00 H new ATOM 0 HA ILE A 2 -0.860 1.600 -3.699 1.00 0.00 H new ATOM 0 HB ILE A 2 -2.548 0.400 -5.151 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.354 0.273 -6.045 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.325 -0.538 -4.648 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.410 0.535 -7.580 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -2.974 2.051 -6.838 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -1.303 1.921 -7.438 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.083 -2.098 -6.535 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.801 -1.880 -6.127 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.112 -1.056 -7.546 1.00 0.00 H new ATOM 29 N VAL A 3 -0.333 3.872 -5.991 1.00 0.00 N ATOM 30 CA VAL A 3 0.688 4.717 -6.648 1.00 0.00 C ATOM 31 C VAL A 3 1.508 5.528 -5.630 1.00 0.00 C ATOM 32 O VAL A 3 2.711 5.724 -5.813 1.00 0.00 O ATOM 33 CB VAL A 3 0.024 5.603 -7.724 1.00 0.00 C ATOM 34 CG1 VAL A 3 -0.881 6.702 -7.150 1.00 0.00 C ATOM 35 CG2 VAL A 3 1.049 6.238 -8.663 1.00 0.00 C ATOM 0 H VAL A 3 -1.288 4.164 -6.198 1.00 0.00 H new ATOM 0 HA VAL A 3 1.407 4.068 -7.149 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.607 4.915 -8.287 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.311 7.282 -7.966 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.682 6.247 -6.567 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.294 7.359 -6.508 1.00 0.00 H new ATOM 0 HG21 VAL A 3 0.534 6.852 -9.402 1.00 0.00 H new ATOM 0 HG22 VAL A 3 1.733 6.861 -8.087 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.612 5.455 -9.170 1.00 0.00 H new ATOM 45 N GLU A 4 0.901 5.893 -4.498 1.00 0.00 N ATOM 46 CA GLU A 4 1.559 6.574 -3.373 1.00 0.00 C ATOM 47 C GLU A 4 2.548 5.661 -2.616 1.00 0.00 C ATOM 48 O GLU A 4 3.329 6.147 -1.794 1.00 0.00 O ATOM 49 CB GLU A 4 0.495 7.109 -2.397 1.00 0.00 C ATOM 50 CG GLU A 4 -0.485 8.130 -2.997 1.00 0.00 C ATOM 51 CD GLU A 4 0.213 9.433 -3.439 1.00 0.00 C ATOM 52 OE1 GLU A 4 0.798 10.134 -2.578 1.00 0.00 O ATOM 53 OE2 GLU A 4 0.144 9.782 -4.642 1.00 0.00 O ATOM 0 H GLU A 4 -0.090 5.719 -4.331 1.00 0.00 H new ATOM 0 HA GLU A 4 2.139 7.397 -3.791 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.076 6.266 -2.008 1.00 0.00 H new ATOM 0 HB3 GLU A 4 1.001 7.570 -1.549 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.990 7.684 -3.854 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.254 8.366 -2.261 1.00 0.00 H new ATOM 60 N GLN A 5 2.542 4.350 -2.898 1.00 0.00 N ATOM 61 CA GLN A 5 3.366 3.340 -2.224 1.00 0.00 C ATOM 62 C GLN A 5 4.407 2.719 -3.161 1.00 0.00 C ATOM 63 O GLN A 5 5.603 2.812 -2.897 1.00 0.00 O ATOM 64 CB GLN A 5 2.454 2.249 -1.627 1.00 0.00 C ATOM 65 CG GLN A 5 1.531 2.742 -0.499 1.00 0.00 C ATOM 66 CD GLN A 5 0.419 1.730 -0.229 1.00 0.00 C ATOM 67 OE1 GLN A 5 0.557 0.798 0.550 1.00 0.00 O ATOM 68 NE2 GLN A 5 -0.708 1.864 -0.888 1.00 0.00 N ATOM 0 H GLN A 5 1.945 3.953 -3.624 1.00 0.00 H new ATOM 0 HA GLN A 5 3.919 3.836 -1.426 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.841 1.828 -2.424 1.00 0.00 H new ATOM 0 HB3 GLN A 5 3.077 1.441 -1.244 1.00 0.00 H new ATOM 0 HG2 GLN A 5 2.112 2.902 0.409 1.00 0.00 H new ATOM 0 HG3 GLN A 5 1.096 3.703 -0.772 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.829 2.640 -1.539 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.463 1.193 -0.749 1.00 0.00 H new ATOM 77 N CYS A 6 3.971 2.113 -4.267 1.00 0.00 N ATOM 78 CA CYS A 6 4.825 1.306 -5.148 1.00 0.00 C ATOM 79 C CYS A 6 5.493 2.090 -6.289 1.00 0.00 C ATOM 80 O CYS A 6 6.507 1.633 -6.816 1.00 0.00 O ATOM 81 CB CYS A 6 3.949 0.188 -5.711 1.00 0.00 C ATOM 82 SG CYS A 6 3.521 -1.092 -4.510 1.00 0.00 S ATOM 0 H CYS A 6 3.003 2.168 -4.582 1.00 0.00 H new ATOM 0 HA CYS A 6 5.659 0.927 -4.557 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.030 0.624 -6.104 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.466 -0.276 -6.551 1.00 0.00 H new ATOM 87 N CYS A 7 4.943 3.254 -6.655 1.00 0.00 N ATOM 88 CA CYS A 7 5.514 4.160 -7.654 1.00 0.00 C ATOM 89 C CYS A 7 6.228 5.352 -6.987 1.00 0.00 C ATOM 90 O CYS A 7 7.329 5.725 -7.399 1.00 0.00 O ATOM 91 CB CYS A 7 4.392 4.599 -8.601 1.00 0.00 C ATOM 92 SG CYS A 7 4.879 5.724 -9.932 1.00 0.00 S ATOM 0 H CYS A 7 4.070 3.598 -6.255 1.00 0.00 H new ATOM 0 HA CYS A 7 6.281 3.646 -8.233 1.00 0.00 H new ATOM 0 HB2 CYS A 7 3.950 3.708 -9.047 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.612 5.081 -8.011 1.00 0.00 H new ATOM 97 N THR A 8 5.646 5.929 -5.925 1.00 0.00 N ATOM 98 CA THR A 8 6.204 7.106 -5.219 1.00 0.00 C ATOM 99 C THR A 8 7.326 6.713 -4.244 1.00 0.00 C ATOM 100 O THR A 8 8.244 7.494 -3.992 1.00 0.00 O ATOM 101 CB THR A 8 5.073 7.849 -4.492 1.00 0.00 C ATOM 102 OG1 THR A 8 4.077 8.236 -5.419 1.00 0.00 O ATOM 103 CG2 THR A 8 5.515 9.129 -3.787 1.00 0.00 C ATOM 0 H THR A 8 4.769 5.595 -5.525 1.00 0.00 H new ATOM 0 HA THR A 8 6.653 7.770 -5.958 1.00 0.00 H new ATOM 0 HB THR A 8 4.712 7.144 -3.744 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.515 7.463 -5.637 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.656 9.591 -3.299 1.00 0.00 H new ATOM 0 HG22 THR A 8 6.272 8.890 -3.040 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.933 9.821 -4.518 1.00 0.00 H new ATOM 111 N SER A 9 7.286 5.477 -3.742 1.00 0.00 N ATOM 112 CA SER A 9 8.316 4.834 -2.914 1.00 0.00 C ATOM 113 C SER A 9 8.546 3.393 -3.413 1.00 0.00 C ATOM 114 O SER A 9 8.177 3.052 -4.542 1.00 0.00 O ATOM 115 CB SER A 9 7.882 4.901 -1.438 1.00 0.00 C ATOM 116 OG SER A 9 8.964 4.577 -0.580 1.00 0.00 O ATOM 0 H SER A 9 6.491 4.861 -3.910 1.00 0.00 H new ATOM 0 HA SER A 9 9.271 5.353 -2.996 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.516 5.901 -1.207 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.056 4.211 -1.265 1.00 0.00 H new ATOM 0 HG SER A 9 8.668 4.627 0.353 1.00 0.00 H new ATOM 122 N ILE A 10 9.177 2.544 -2.603 1.00 0.00 N ATOM 123 CA ILE A 10 9.406 1.130 -2.921 1.00 0.00 C ATOM 124 C ILE A 10 8.167 0.272 -2.613 1.00 0.00 C ATOM 125 O ILE A 10 7.533 0.404 -1.564 1.00 0.00 O ATOM 126 CB ILE A 10 10.676 0.616 -2.209 1.00 0.00 C ATOM 127 CG1 ILE A 10 11.947 1.423 -2.576 1.00 0.00 C ATOM 128 CG2 ILE A 10 10.878 -0.869 -2.535 1.00 0.00 C ATOM 129 CD1 ILE A 10 12.306 1.462 -4.071 1.00 0.00 C ATOM 0 H ILE A 10 9.550 2.820 -1.694 1.00 0.00 H new ATOM 0 HA ILE A 10 9.576 1.041 -3.994 1.00 0.00 H new ATOM 0 HB ILE A 10 10.524 0.751 -1.138 1.00 0.00 H new ATOM 0 HG12 ILE A 10 11.818 2.447 -2.226 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.792 1.003 -2.030 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.774 -1.233 -2.033 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.014 -1.438 -2.192 1.00 0.00 H new ATOM 0 HG23 ILE A 10 10.990 -0.993 -3.612 1.00 0.00 H new ATOM 0 HD11 ILE A 10 13.211 2.053 -4.213 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.475 0.447 -4.431 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.487 1.914 -4.630 1.00 0.00 H new ATOM 141 N CYS A 11 7.848 -0.649 -3.529 1.00 0.00 N ATOM 142 CA CYS A 11 6.700 -1.555 -3.441 1.00 0.00 C ATOM 143 C CYS A 11 6.906 -2.741 -2.481 1.00 0.00 C ATOM 144 O CYS A 11 8.034 -3.180 -2.245 1.00 0.00 O ATOM 145 CB CYS A 11 6.373 -2.049 -4.858 1.00 0.00 C ATOM 146 SG CYS A 11 4.684 -2.655 -5.104 1.00 0.00 S ATOM 0 H CYS A 11 8.398 -0.788 -4.377 1.00 0.00 H new ATOM 0 HA CYS A 11 5.867 -0.995 -3.016 1.00 0.00 H new ATOM 0 HB2 CYS A 11 6.553 -1.234 -5.558 1.00 0.00 H new ATOM 0 HB3 CYS A 11 7.068 -2.849 -5.114 1.00 0.00 H new ATOM 151 N SER A 12 5.804 -3.300 -1.966 1.00 0.00 N ATOM 152 CA SER A 12 5.792 -4.499 -1.121 1.00 0.00 C ATOM 153 C SER A 12 4.602 -5.391 -1.468 1.00 0.00 C ATOM 154 O SER A 12 3.455 -4.935 -1.529 1.00 0.00 O ATOM 155 CB SER A 12 5.758 -4.095 0.352 1.00 0.00 C ATOM 156 OG SER A 12 5.585 -5.236 1.178 1.00 0.00 O ATOM 0 H SER A 12 4.872 -2.920 -2.130 1.00 0.00 H new ATOM 0 HA SER A 12 6.702 -5.070 -1.306 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.684 -3.585 0.616 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.945 -3.389 0.523 1.00 0.00 H new ATOM 0 HG SER A 12 5.567 -4.960 2.118 1.00 0.00 H new ATOM 162 N LEU A 13 4.859 -6.685 -1.660 1.00 0.00 N ATOM 163 CA LEU A 13 3.842 -7.692 -1.974 1.00 0.00 C ATOM 164 C LEU A 13 2.773 -7.834 -0.878 1.00 0.00 C ATOM 165 O LEU A 13 1.624 -8.133 -1.188 1.00 0.00 O ATOM 166 CB LEU A 13 4.525 -9.039 -2.286 1.00 0.00 C ATOM 167 CG LEU A 13 5.143 -9.832 -1.113 1.00 0.00 C ATOM 168 CD1 LEU A 13 5.631 -11.184 -1.634 1.00 0.00 C ATOM 169 CD2 LEU A 13 6.340 -9.135 -0.455 1.00 0.00 C ATOM 0 H LEU A 13 5.801 -7.072 -1.600 1.00 0.00 H new ATOM 0 HA LEU A 13 3.303 -7.352 -2.858 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.790 -9.681 -2.771 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.314 -8.852 -3.014 1.00 0.00 H new ATOM 0 HG LEU A 13 4.359 -9.926 -0.361 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.070 -11.753 -0.814 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.790 -11.738 -2.051 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.382 -11.026 -2.408 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.718 -9.753 0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.127 -8.988 -1.195 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.027 -8.168 -0.061 1.00 0.00 H new ATOM 181 N TYR A 14 3.118 -7.535 0.376 1.00 0.00 N ATOM 182 CA TYR A 14 2.175 -7.528 1.496 1.00 0.00 C ATOM 183 C TYR A 14 1.130 -6.406 1.376 1.00 0.00 C ATOM 184 O TYR A 14 0.010 -6.554 1.870 1.00 0.00 O ATOM 185 CB TYR A 14 2.964 -7.428 2.803 1.00 0.00 C ATOM 186 CG TYR A 14 3.994 -8.532 2.991 1.00 0.00 C ATOM 187 CD1 TYR A 14 3.587 -9.884 2.999 1.00 0.00 C ATOM 188 CD2 TYR A 14 5.360 -8.213 3.124 1.00 0.00 C ATOM 189 CE1 TYR A 14 4.540 -10.913 3.130 1.00 0.00 C ATOM 190 CE2 TYR A 14 6.316 -9.241 3.258 1.00 0.00 C ATOM 191 CZ TYR A 14 5.908 -10.593 3.260 1.00 0.00 C ATOM 192 OH TYR A 14 6.837 -11.578 3.389 1.00 0.00 O ATOM 0 H TYR A 14 4.070 -7.288 0.645 1.00 0.00 H new ATOM 0 HA TYR A 14 1.609 -8.459 1.483 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.470 -6.463 2.837 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.266 -7.451 3.640 1.00 0.00 H new ATOM 0 HD1 TYR A 14 2.540 -10.130 2.904 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.675 -7.180 3.123 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.224 -11.946 3.131 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.362 -8.994 3.359 1.00 0.00 H new ATOM 0 HH TYR A 14 7.729 -11.179 3.466 1.00 0.00 H new ATOM 202 N GLN A 15 1.467 -5.318 0.671 1.00 0.00 N ATOM 203 CA GLN A 15 0.513 -4.275 0.281 1.00 0.00 C ATOM 204 C GLN A 15 -0.299 -4.712 -0.947 1.00 0.00 C ATOM 205 O GLN A 15 -1.509 -4.501 -0.986 1.00 0.00 O ATOM 206 CB GLN A 15 1.232 -2.941 0.011 1.00 0.00 C ATOM 207 CG GLN A 15 2.100 -2.452 1.181 1.00 0.00 C ATOM 208 CD GLN A 15 1.313 -2.260 2.477 1.00 0.00 C ATOM 209 OE1 GLN A 15 1.362 -3.070 3.394 1.00 0.00 O ATOM 210 NE2 GLN A 15 0.554 -1.194 2.610 1.00 0.00 N ATOM 0 H GLN A 15 2.419 -5.137 0.353 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.177 -4.124 1.111 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.860 -3.051 -0.873 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.488 -2.179 -0.219 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.902 -3.169 1.354 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.570 -1.508 0.906 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.501 -0.509 1.857 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.019 -1.053 3.467 1.00 0.00 H new ATOM 219 N LEU A 16 0.332 -5.379 -1.928 1.00 0.00 N ATOM 220 CA LEU A 16 -0.331 -5.828 -3.159 1.00 0.00 C ATOM 221 C LEU A 16 -1.427 -6.879 -2.919 1.00 0.00 C ATOM 222 O LEU A 16 -2.451 -6.864 -3.605 1.00 0.00 O ATOM 223 CB LEU A 16 0.702 -6.329 -4.189 1.00 0.00 C ATOM 224 CG LEU A 16 1.736 -5.293 -4.677 1.00 0.00 C ATOM 225 CD1 LEU A 16 2.293 -5.705 -6.039 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.156 -3.891 -4.845 1.00 0.00 C ATOM 0 H LEU A 16 1.322 -5.622 -1.887 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.839 -4.953 -3.565 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.240 -7.171 -3.753 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.163 -6.710 -5.057 1.00 0.00 H new ATOM 0 HG LEU A 16 2.507 -5.268 -3.907 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.022 -4.966 -6.373 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.776 -6.679 -5.955 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.479 -5.765 -6.762 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.937 -3.213 -5.190 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.348 -3.917 -5.576 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.768 -3.541 -3.888 1.00 0.00 H new ATOM 238 N GLU A 17 -1.287 -7.721 -1.895 1.00 0.00 N ATOM 239 CA GLU A 17 -2.340 -8.657 -1.465 1.00 0.00 C ATOM 240 C GLU A 17 -3.651 -7.957 -1.035 1.00 0.00 C ATOM 241 O GLU A 17 -4.713 -8.578 -1.083 1.00 0.00 O ATOM 242 CB GLU A 17 -1.821 -9.547 -0.321 1.00 0.00 C ATOM 243 CG GLU A 17 -0.854 -10.632 -0.808 1.00 0.00 C ATOM 244 CD GLU A 17 -0.440 -11.559 0.355 1.00 0.00 C ATOM 245 OE1 GLU A 17 0.411 -11.165 1.191 1.00 0.00 O ATOM 246 OE2 GLU A 17 -0.967 -12.696 0.442 1.00 0.00 O ATOM 0 H GLU A 17 -0.437 -7.777 -1.334 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.584 -9.266 -2.336 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.319 -8.924 0.419 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.667 -10.018 0.180 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.326 -11.219 -1.596 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.032 -10.168 -1.242 1.00 0.00 H new ATOM 253 N ASN A 18 -3.620 -6.664 -0.677 1.00 0.00 N ATOM 254 CA ASN A 18 -4.818 -5.890 -0.321 1.00 0.00 C ATOM 255 C ASN A 18 -5.712 -5.575 -1.538 1.00 0.00 C ATOM 256 O ASN A 18 -6.932 -5.440 -1.399 1.00 0.00 O ATOM 257 CB ASN A 18 -4.378 -4.589 0.369 1.00 0.00 C ATOM 258 CG ASN A 18 -5.505 -3.963 1.171 1.00 0.00 C ATOM 259 OD1 ASN A 18 -6.230 -3.098 0.704 1.00 0.00 O ATOM 260 ND2 ASN A 18 -5.702 -4.389 2.396 1.00 0.00 N ATOM 0 H ASN A 18 -2.757 -6.123 -0.626 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.422 -6.497 0.353 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -3.535 -4.795 1.028 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.030 -3.880 -0.382 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -6.459 -3.998 2.956 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.098 -5.111 2.788 1.00 0.00 H new ATOM 267 N TYR A 19 -5.115 -5.475 -2.729 1.00 0.00 N ATOM 268 CA TYR A 19 -5.794 -5.140 -3.990 1.00 0.00 C ATOM 269 C TYR A 19 -6.267 -6.399 -4.746 1.00 0.00 C ATOM 270 O TYR A 19 -7.072 -6.300 -5.674 1.00 0.00 O ATOM 271 CB TYR A 19 -4.828 -4.307 -4.848 1.00 0.00 C ATOM 272 CG TYR A 19 -4.338 -3.016 -4.208 1.00 0.00 C ATOM 273 CD1 TYR A 19 -3.227 -3.037 -3.346 1.00 0.00 C ATOM 274 CD2 TYR A 19 -4.987 -1.794 -4.463 1.00 0.00 C ATOM 275 CE1 TYR A 19 -2.829 -1.870 -2.665 1.00 0.00 C ATOM 276 CE2 TYR A 19 -4.594 -0.617 -3.783 1.00 0.00 C ATOM 277 CZ TYR A 19 -3.537 -0.667 -2.845 1.00 0.00 C ATOM 278 OH TYR A 19 -3.181 0.436 -2.131 1.00 0.00 O ATOM 0 H TYR A 19 -4.114 -5.629 -2.849 1.00 0.00 H new ATOM 0 HA TYR A 19 -6.693 -4.564 -3.771 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -3.963 -4.923 -5.093 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.322 -4.062 -5.788 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.675 -3.955 -3.205 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.791 -1.754 -5.183 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.977 -1.898 -2.002 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.100 0.317 -3.980 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.985 0.873 -1.781 1.00 0.00 H new ATOM 288 N CYS A 20 -5.783 -7.581 -4.349 1.00 0.00 N ATOM 289 CA CYS A 20 -6.139 -8.893 -4.895 1.00 0.00 C ATOM 290 C CYS A 20 -7.497 -9.414 -4.372 1.00 0.00 C ATOM 291 O CYS A 20 -7.913 -9.073 -3.257 1.00 0.00 O ATOM 292 CB CYS A 20 -4.995 -9.855 -4.547 1.00 0.00 C ATOM 293 SG CYS A 20 -5.079 -11.493 -5.312 1.00 0.00 S ATOM 0 H CYS A 20 -5.096 -7.651 -3.598 1.00 0.00 H new ATOM 0 HA CYS A 20 -6.265 -8.814 -5.975 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -4.053 -9.388 -4.836 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.969 -9.982 -3.465 1.00 0.00 H new ATOM 298 N ASN A 21 -8.180 -10.257 -5.163 1.00 0.00 N ATOM 299 CA ASN A 21 -9.424 -10.956 -4.797 1.00 0.00 C ATOM 300 C ASN A 21 -9.141 -12.412 -4.339 1.00 0.00 C ATOM 301 O ASN A 21 -9.617 -13.379 -4.975 1.00 0.00 O ATOM 302 CB ASN A 21 -10.424 -10.796 -5.971 1.00 0.00 C ATOM 303 CG ASN A 21 -11.868 -11.145 -5.626 1.00 0.00 C ATOM 304 OD1 ASN A 21 -12.747 -10.292 -5.601 1.00 0.00 O ATOM 305 ND2 ASN A 21 -12.156 -12.397 -5.361 1.00 0.00 N ATOM 306 OXT ASN A 21 -8.434 -12.592 -3.323 1.00 0.00 O ATOM 0 H ASN A 21 -7.871 -10.479 -6.109 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.895 -10.512 -3.920 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.387 -9.766 -6.324 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -10.099 -11.428 -6.797 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -13.114 -12.663 -5.133 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.422 -13.105 -5.383 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 9.719 -11.443 -6.704 1.00 0.00 N ATOM 315 CA PHE B 1 8.959 -10.169 -6.579 1.00 0.00 C ATOM 316 C PHE B 1 9.806 -8.974 -7.056 1.00 0.00 C ATOM 317 O PHE B 1 11.029 -9.088 -7.152 1.00 0.00 O ATOM 318 CB PHE B 1 8.436 -9.980 -5.137 1.00 0.00 C ATOM 319 CG PHE B 1 7.579 -8.743 -4.939 1.00 0.00 C ATOM 320 CD1 PHE B 1 6.388 -8.586 -5.675 1.00 0.00 C ATOM 321 CD2 PHE B 1 8.010 -7.715 -4.082 1.00 0.00 C ATOM 322 CE1 PHE B 1 5.649 -7.396 -5.570 1.00 0.00 C ATOM 323 CE2 PHE B 1 7.253 -6.536 -3.956 1.00 0.00 C ATOM 324 CZ PHE B 1 6.071 -6.375 -4.705 1.00 0.00 C ATOM 0 H1 PHE B 1 9.287 -12.034 -7.443 1.00 0.00 H new ATOM 0 H2 PHE B 1 10.705 -11.235 -6.959 1.00 0.00 H new ATOM 0 H3 PHE B 1 9.696 -11.951 -5.797 1.00 0.00 H new ATOM 0 HA PHE B 1 8.087 -10.220 -7.231 1.00 0.00 H new ATOM 0 HB2 PHE B 1 7.855 -10.859 -4.856 1.00 0.00 H new ATOM 0 HB3 PHE B 1 9.287 -9.930 -4.458 1.00 0.00 H new ATOM 0 HD1 PHE B 1 6.043 -9.381 -6.320 1.00 0.00 H new ATOM 0 HD2 PHE B 1 8.924 -7.831 -3.519 1.00 0.00 H new ATOM 0 HE1 PHE B 1 4.752 -7.266 -6.158 1.00 0.00 H new ATOM 0 HE2 PHE B 1 7.578 -5.755 -3.285 1.00 0.00 H new ATOM 0 HZ PHE B 1 5.491 -5.468 -4.614 1.00 0.00 H new ATOM 336 N VAL B 2 9.181 -7.830 -7.372 1.00 0.00 N ATOM 337 CA VAL B 2 9.842 -6.599 -7.858 1.00 0.00 C ATOM 338 C VAL B 2 9.587 -5.404 -6.943 1.00 0.00 C ATOM 339 O VAL B 2 8.487 -5.210 -6.434 1.00 0.00 O ATOM 340 CB VAL B 2 9.463 -6.258 -9.313 1.00 0.00 C ATOM 341 CG1 VAL B 2 10.096 -7.260 -10.278 1.00 0.00 C ATOM 342 CG2 VAL B 2 7.947 -6.213 -9.570 1.00 0.00 C ATOM 0 H VAL B 2 8.169 -7.728 -7.296 1.00 0.00 H new ATOM 0 HA VAL B 2 10.911 -6.813 -7.838 1.00 0.00 H new ATOM 0 HB VAL B 2 9.849 -5.253 -9.485 1.00 0.00 H new ATOM 0 HG11 VAL B 2 9.819 -7.005 -11.301 1.00 0.00 H new ATOM 0 HG12 VAL B 2 11.181 -7.227 -10.177 1.00 0.00 H new ATOM 0 HG13 VAL B 2 9.741 -8.264 -10.045 1.00 0.00 H new ATOM 0 HG21 VAL B 2 7.762 -5.967 -10.616 1.00 0.00 H new ATOM 0 HG22 VAL B 2 7.511 -7.186 -9.344 1.00 0.00 H new ATOM 0 HG23 VAL B 2 7.492 -5.454 -8.933 1.00 0.00 H new ATOM 352 N ASN B 3 10.615 -4.576 -6.749 1.00 0.00 N ATOM 353 CA ASN B 3 10.655 -3.513 -5.742 1.00 0.00 C ATOM 354 C ASN B 3 11.522 -2.314 -6.188 1.00 0.00 C ATOM 355 O ASN B 3 12.434 -1.885 -5.482 1.00 0.00 O ATOM 356 CB ASN B 3 11.100 -4.165 -4.413 1.00 0.00 C ATOM 357 CG ASN B 3 12.380 -4.994 -4.494 1.00 0.00 C ATOM 358 OD1 ASN B 3 13.209 -4.874 -5.388 1.00 0.00 O ATOM 359 ND2 ASN B 3 12.568 -5.911 -3.573 1.00 0.00 N ATOM 0 H ASN B 3 11.469 -4.628 -7.305 1.00 0.00 H new ATOM 0 HA ASN B 3 9.670 -3.067 -5.603 1.00 0.00 H new ATOM 0 HB2 ASN B 3 11.241 -3.380 -3.670 1.00 0.00 H new ATOM 0 HB3 ASN B 3 10.294 -4.804 -4.052 1.00 0.00 H new ATOM 0 HD21 ASN B 3 13.394 -6.509 -3.610 1.00 0.00 H new ATOM 0 HD22 ASN B 3 11.888 -6.025 -2.821 1.00 0.00 H new ATOM 366 N GLN B 4 11.262 -1.787 -7.392 1.00 0.00 N ATOM 367 CA GLN B 4 12.092 -0.774 -8.069 1.00 0.00 C ATOM 368 C GLN B 4 11.247 0.356 -8.702 1.00 0.00 C ATOM 369 O GLN B 4 11.325 0.594 -9.909 1.00 0.00 O ATOM 370 CB GLN B 4 13.009 -1.464 -9.105 1.00 0.00 C ATOM 371 CG GLN B 4 13.945 -2.519 -8.493 1.00 0.00 C ATOM 372 CD GLN B 4 14.937 -3.058 -9.522 1.00 0.00 C ATOM 373 OE1 GLN B 4 14.732 -4.092 -10.145 1.00 0.00 O ATOM 374 NE2 GLN B 4 16.043 -2.379 -9.760 1.00 0.00 N ATOM 0 H GLN B 4 10.446 -2.060 -7.940 1.00 0.00 H new ATOM 0 HA GLN B 4 12.716 -0.287 -7.319 1.00 0.00 H new ATOM 0 HB2 GLN B 4 12.390 -1.938 -9.867 1.00 0.00 H new ATOM 0 HB3 GLN B 4 13.609 -0.706 -9.608 1.00 0.00 H new ATOM 0 HG2 GLN B 4 14.490 -2.081 -7.657 1.00 0.00 H new ATOM 0 HG3 GLN B 4 13.353 -3.342 -8.092 1.00 0.00 H new ATOM 0 HE21 GLN B 4 16.231 -1.515 -9.251 1.00 0.00 H new ATOM 0 HE22 GLN B 4 16.710 -2.718 -10.453 1.00 0.00 H new ATOM 383 N HIS B 5 10.421 1.040 -7.895 1.00 0.00 N ATOM 384 CA HIS B 5 9.501 2.115 -8.323 1.00 0.00 C ATOM 385 C HIS B 5 8.628 1.713 -9.534 1.00 0.00 C ATOM 386 O HIS B 5 8.763 2.242 -10.641 1.00 0.00 O ATOM 387 CB HIS B 5 10.261 3.438 -8.542 1.00 0.00 C ATOM 388 CG HIS B 5 10.713 4.113 -7.275 1.00 0.00 C ATOM 389 ND1 HIS B 5 10.017 5.078 -6.584 1.00 0.00 N ATOM 390 CD2 HIS B 5 11.920 3.967 -6.648 1.00 0.00 C ATOM 391 CE1 HIS B 5 10.776 5.496 -5.560 1.00 0.00 C ATOM 392 NE2 HIS B 5 11.954 4.844 -5.550 1.00 0.00 N ATOM 0 H HIS B 5 10.371 0.857 -6.893 1.00 0.00 H new ATOM 0 HA HIS B 5 8.796 2.280 -7.509 1.00 0.00 H new ATOM 0 HB2 HIS B 5 11.133 3.243 -9.166 1.00 0.00 H new ATOM 0 HB3 HIS B 5 9.620 4.124 -9.096 1.00 0.00 H new ATOM 0 HD1 HIS B 5 9.083 5.418 -6.812 1.00 0.00 H new ATOM 0 HD2 HIS B 5 12.711 3.294 -6.945 1.00 0.00 H new ATOM 0 HE1 HIS B 5 10.483 6.250 -4.844 1.00 0.00 H new ATOM 400 N LEU B 6 7.738 0.733 -9.329 1.00 0.00 N ATOM 401 CA LEU B 6 6.853 0.213 -10.373 1.00 0.00 C ATOM 402 C LEU B 6 5.690 1.187 -10.598 1.00 0.00 C ATOM 403 O LEU B 6 4.942 1.491 -9.670 1.00 0.00 O ATOM 404 CB LEU B 6 6.334 -1.202 -10.033 1.00 0.00 C ATOM 405 CG LEU B 6 7.369 -2.329 -9.822 1.00 0.00 C ATOM 406 CD1 LEU B 6 8.590 -2.240 -10.742 1.00 0.00 C ATOM 407 CD2 LEU B 6 7.848 -2.392 -8.372 1.00 0.00 C ATOM 0 H LEU B 6 7.613 0.277 -8.425 1.00 0.00 H new ATOM 0 HA LEU B 6 7.427 0.126 -11.295 1.00 0.00 H new ATOM 0 HB2 LEU B 6 5.734 -1.127 -9.126 1.00 0.00 H new ATOM 0 HB3 LEU B 6 5.663 -1.512 -10.834 1.00 0.00 H new ATOM 0 HG LEU B 6 6.831 -3.241 -10.080 1.00 0.00 H new ATOM 0 HD11 LEU B 6 9.267 -3.068 -10.529 1.00 0.00 H new ATOM 0 HD12 LEU B 6 8.267 -2.293 -11.782 1.00 0.00 H new ATOM 0 HD13 LEU B 6 9.107 -1.296 -10.571 1.00 0.00 H new ATOM 0 HD21 LEU B 6 8.575 -3.197 -8.264 1.00 0.00 H new ATOM 0 HD22 LEU B 6 8.313 -1.444 -8.101 1.00 0.00 H new ATOM 0 HD23 LEU B 6 6.998 -2.580 -7.716 1.00 0.00 H new ATOM 419 N CYS B 7 5.516 1.644 -11.840 1.00 0.00 N ATOM 420 CA CYS B 7 4.520 2.641 -12.240 1.00 0.00 C ATOM 421 C CYS B 7 3.799 2.207 -13.532 1.00 0.00 C ATOM 422 O CYS B 7 4.398 1.562 -14.400 1.00 0.00 O ATOM 423 CB CYS B 7 5.218 3.996 -12.445 1.00 0.00 C ATOM 424 SG CYS B 7 6.196 4.665 -11.069 1.00 0.00 S ATOM 0 H CYS B 7 6.084 1.319 -12.622 1.00 0.00 H new ATOM 0 HA CYS B 7 3.770 2.732 -11.454 1.00 0.00 H new ATOM 0 HB2 CYS B 7 5.875 3.906 -13.310 1.00 0.00 H new ATOM 0 HB3 CYS B 7 4.454 4.730 -12.700 1.00 0.00 H new ATOM 429 N GLY B 8 2.517 2.571 -13.673 1.00 0.00 N ATOM 430 CA GLY B 8 1.705 2.270 -14.856 1.00 0.00 C ATOM 431 C GLY B 8 1.590 0.764 -15.125 1.00 0.00 C ATOM 432 O GLY B 8 1.248 -0.012 -14.229 1.00 0.00 O ATOM 0 H GLY B 8 2.009 3.090 -12.957 1.00 0.00 H new ATOM 0 HA2 GLY B 8 0.707 2.689 -14.724 1.00 0.00 H new ATOM 0 HA3 GLY B 8 2.143 2.758 -15.727 1.00 0.00 H new ATOM 436 N SER B 9 1.924 0.339 -16.350 1.00 0.00 N ATOM 437 CA SER B 9 1.924 -1.072 -16.777 1.00 0.00 C ATOM 438 C SER B 9 2.762 -1.982 -15.865 1.00 0.00 C ATOM 439 O SER B 9 2.396 -3.136 -15.634 1.00 0.00 O ATOM 440 CB SER B 9 2.463 -1.178 -18.210 1.00 0.00 C ATOM 441 OG SER B 9 1.734 -0.320 -19.082 1.00 0.00 O ATOM 0 H SER B 9 2.209 0.979 -17.091 1.00 0.00 H new ATOM 0 HA SER B 9 0.890 -1.413 -16.719 1.00 0.00 H new ATOM 0 HB2 SER B 9 3.520 -0.912 -18.228 1.00 0.00 H new ATOM 0 HB3 SER B 9 2.388 -2.208 -18.558 1.00 0.00 H new ATOM 0 HG SER B 9 2.091 -0.398 -19.991 1.00 0.00 H new ATOM 447 N HIS B 10 3.848 -1.465 -15.280 1.00 0.00 N ATOM 448 CA HIS B 10 4.719 -2.212 -14.365 1.00 0.00 C ATOM 449 C HIS B 10 4.059 -2.482 -13.005 1.00 0.00 C ATOM 450 O HIS B 10 4.385 -3.462 -12.337 1.00 0.00 O ATOM 451 CB HIS B 10 6.028 -1.441 -14.155 1.00 0.00 C ATOM 452 CG HIS B 10 6.680 -1.027 -15.446 1.00 0.00 C ATOM 453 ND1 HIS B 10 6.614 0.218 -16.029 1.00 0.00 N ATOM 454 CD2 HIS B 10 7.378 -1.841 -16.295 1.00 0.00 C ATOM 455 CE1 HIS B 10 7.276 0.163 -17.198 1.00 0.00 C ATOM 456 NE2 HIS B 10 7.764 -1.075 -17.405 1.00 0.00 N ATOM 0 H HIS B 10 4.151 -0.503 -15.431 1.00 0.00 H new ATOM 0 HA HIS B 10 4.915 -3.180 -14.827 1.00 0.00 H new ATOM 0 HB2 HIS B 10 5.828 -0.554 -13.554 1.00 0.00 H new ATOM 0 HB3 HIS B 10 6.721 -2.061 -13.587 1.00 0.00 H new ATOM 0 HD1 HIS B 10 6.146 1.038 -15.643 1.00 0.00 H new ATOM 0 HD2 HIS B 10 7.594 -2.888 -16.139 1.00 0.00 H new ATOM 0 HE1 HIS B 10 7.399 0.995 -17.876 1.00 0.00 H new ATOM 464 N LEU B 11 3.129 -1.619 -12.584 1.00 0.00 N ATOM 465 CA LEU B 11 2.446 -1.732 -11.296 1.00 0.00 C ATOM 466 C LEU B 11 1.297 -2.749 -11.354 1.00 0.00 C ATOM 467 O LEU B 11 1.135 -3.554 -10.437 1.00 0.00 O ATOM 468 CB LEU B 11 2.006 -0.322 -10.860 1.00 0.00 C ATOM 469 CG LEU B 11 1.429 -0.226 -9.436 1.00 0.00 C ATOM 470 CD1 LEU B 11 2.288 -0.953 -8.397 1.00 0.00 C ATOM 471 CD2 LEU B 11 1.336 1.249 -9.035 1.00 0.00 C ATOM 0 H LEU B 11 2.828 -0.815 -13.135 1.00 0.00 H new ATOM 0 HA LEU B 11 3.122 -2.126 -10.538 1.00 0.00 H new ATOM 0 HB2 LEU B 11 2.863 0.347 -10.933 1.00 0.00 H new ATOM 0 HB3 LEU B 11 1.257 0.041 -11.564 1.00 0.00 H new ATOM 0 HG LEU B 11 0.449 -0.703 -9.453 1.00 0.00 H new ATOM 0 HD11 LEU B 11 1.832 -0.851 -7.412 1.00 0.00 H new ATOM 0 HD12 LEU B 11 2.357 -2.009 -8.657 1.00 0.00 H new ATOM 0 HD13 LEU B 11 3.287 -0.517 -8.381 1.00 0.00 H new ATOM 0 HD21 LEU B 11 0.928 1.327 -8.027 1.00 0.00 H new ATOM 0 HD22 LEU B 11 2.330 1.696 -9.060 1.00 0.00 H new ATOM 0 HD23 LEU B 11 0.684 1.775 -9.732 1.00 0.00 H new ATOM 483 N VAL B 12 0.560 -2.804 -12.469 1.00 0.00 N ATOM 484 CA VAL B 12 -0.411 -3.890 -12.711 1.00 0.00 C ATOM 485 C VAL B 12 0.277 -5.227 -13.017 1.00 0.00 C ATOM 486 O VAL B 12 -0.213 -6.275 -12.603 1.00 0.00 O ATOM 487 CB VAL B 12 -1.451 -3.540 -13.781 1.00 0.00 C ATOM 488 CG1 VAL B 12 -2.392 -2.445 -13.268 1.00 0.00 C ATOM 489 CG2 VAL B 12 -0.865 -3.096 -15.123 1.00 0.00 C ATOM 0 H VAL B 12 0.613 -2.114 -13.219 1.00 0.00 H new ATOM 0 HA VAL B 12 -0.956 -4.008 -11.775 1.00 0.00 H new ATOM 0 HB VAL B 12 -1.987 -4.470 -13.968 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.126 -2.206 -14.038 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.906 -2.797 -12.373 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -1.815 -1.552 -13.027 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -1.675 -2.870 -15.817 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.253 -2.206 -14.976 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -0.249 -3.896 -15.533 1.00 0.00 H new ATOM 499 N GLU B 13 1.453 -5.207 -13.647 1.00 0.00 N ATOM 500 CA GLU B 13 2.309 -6.393 -13.795 1.00 0.00 C ATOM 501 C GLU B 13 2.777 -6.921 -12.423 1.00 0.00 C ATOM 502 O GLU B 13 2.803 -8.134 -12.211 1.00 0.00 O ATOM 503 CB GLU B 13 3.494 -6.047 -14.716 1.00 0.00 C ATOM 504 CG GLU B 13 4.509 -7.183 -14.881 1.00 0.00 C ATOM 505 CD GLU B 13 5.515 -6.863 -16.002 1.00 0.00 C ATOM 506 OE1 GLU B 13 6.475 -6.094 -15.759 1.00 0.00 O ATOM 507 OE2 GLU B 13 5.358 -7.385 -17.133 1.00 0.00 O ATOM 0 H GLU B 13 1.843 -4.366 -14.072 1.00 0.00 H new ATOM 0 HA GLU B 13 1.736 -7.199 -14.253 1.00 0.00 H new ATOM 0 HB2 GLU B 13 3.109 -5.772 -15.698 1.00 0.00 H new ATOM 0 HB3 GLU B 13 4.006 -5.171 -14.318 1.00 0.00 H new ATOM 0 HG2 GLU B 13 5.041 -7.339 -13.943 1.00 0.00 H new ATOM 0 HG3 GLU B 13 3.987 -8.112 -15.110 1.00 0.00 H new ATOM 514 N ALA B 14 3.069 -6.034 -11.462 1.00 0.00 N ATOM 515 CA ALA B 14 3.442 -6.430 -10.097 1.00 0.00 C ATOM 516 C ALA B 14 2.237 -6.980 -9.315 1.00 0.00 C ATOM 517 O ALA B 14 2.364 -7.981 -8.610 1.00 0.00 O ATOM 518 CB ALA B 14 4.076 -5.245 -9.369 1.00 0.00 C ATOM 0 H ALA B 14 3.053 -5.025 -11.608 1.00 0.00 H new ATOM 0 HA ALA B 14 4.172 -7.236 -10.162 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.351 -5.544 -8.357 1.00 0.00 H new ATOM 0 HB2 ALA B 14 4.968 -4.922 -9.907 1.00 0.00 H new ATOM 0 HB3 ALA B 14 3.363 -4.422 -9.323 1.00 0.00 H new ATOM 524 N LEU B 15 1.052 -6.382 -9.488 1.00 0.00 N ATOM 525 CA LEU B 15 -0.195 -6.902 -8.926 1.00 0.00 C ATOM 526 C LEU B 15 -0.504 -8.304 -9.466 1.00 0.00 C ATOM 527 O LEU B 15 -0.815 -9.195 -8.681 1.00 0.00 O ATOM 528 CB LEU B 15 -1.353 -5.934 -9.225 1.00 0.00 C ATOM 529 CG LEU B 15 -1.499 -4.773 -8.226 1.00 0.00 C ATOM 530 CD1 LEU B 15 -2.425 -3.710 -8.815 1.00 0.00 C ATOM 531 CD2 LEU B 15 -2.111 -5.261 -6.916 1.00 0.00 C ATOM 0 H LEU B 15 0.933 -5.522 -10.023 1.00 0.00 H new ATOM 0 HA LEU B 15 -0.077 -6.984 -7.846 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -1.213 -5.520 -10.223 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -2.285 -6.499 -9.242 1.00 0.00 H new ATOM 0 HG LEU B 15 -0.508 -4.362 -8.034 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.530 -2.887 -8.108 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -2.003 -3.336 -9.748 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -3.404 -4.148 -9.009 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -2.205 -4.424 -6.224 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -3.097 -5.684 -7.110 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -1.469 -6.024 -6.477 1.00 0.00 H new ATOM 543 N TYR B 16 -0.323 -8.542 -10.769 1.00 0.00 N ATOM 544 CA TYR B 16 -0.471 -9.874 -11.364 1.00 0.00 C ATOM 545 C TYR B 16 0.568 -10.885 -10.846 1.00 0.00 C ATOM 546 O TYR B 16 0.228 -12.044 -10.601 1.00 0.00 O ATOM 547 CB TYR B 16 -0.408 -9.764 -12.895 1.00 0.00 C ATOM 548 CG TYR B 16 -0.632 -11.092 -13.597 1.00 0.00 C ATOM 549 CD1 TYR B 16 -1.888 -11.726 -13.524 1.00 0.00 C ATOM 550 CD2 TYR B 16 0.430 -11.722 -14.279 1.00 0.00 C ATOM 551 CE1 TYR B 16 -2.085 -12.983 -14.128 1.00 0.00 C ATOM 552 CE2 TYR B 16 0.237 -12.974 -14.892 1.00 0.00 C ATOM 553 CZ TYR B 16 -1.021 -13.611 -14.814 1.00 0.00 C ATOM 554 OH TYR B 16 -1.215 -14.829 -15.392 1.00 0.00 O ATOM 0 H TYR B 16 -0.070 -7.817 -11.441 1.00 0.00 H new ATOM 0 HA TYR B 16 -1.445 -10.259 -11.061 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -1.159 -9.050 -13.233 1.00 0.00 H new ATOM 0 HB3 TYR B 16 0.564 -9.366 -13.185 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -2.703 -11.246 -13.003 1.00 0.00 H new ATOM 0 HD2 TYR B 16 1.396 -11.241 -14.331 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -3.049 -13.467 -14.067 1.00 0.00 H new ATOM 0 HE2 TYR B 16 1.050 -13.447 -15.422 1.00 0.00 H new ATOM 0 HH TYR B 16 -0.386 -15.122 -15.824 1.00 0.00 H new ATOM 564 N LEU B 17 1.811 -10.454 -10.602 1.00 0.00 N ATOM 565 CA LEU B 17 2.888 -11.310 -10.093 1.00 0.00 C ATOM 566 C LEU B 17 2.603 -11.816 -8.663 1.00 0.00 C ATOM 567 O LEU B 17 3.005 -12.926 -8.309 1.00 0.00 O ATOM 568 CB LEU B 17 4.206 -10.512 -10.177 1.00 0.00 C ATOM 569 CG LEU B 17 5.474 -11.273 -9.754 1.00 0.00 C ATOM 570 CD1 LEU B 17 5.763 -12.478 -10.648 1.00 0.00 C ATOM 571 CD2 LEU B 17 6.674 -10.331 -9.828 1.00 0.00 C ATOM 0 H LEU B 17 2.101 -9.488 -10.755 1.00 0.00 H new ATOM 0 HA LEU B 17 2.963 -12.209 -10.704 1.00 0.00 H new ATOM 0 HB2 LEU B 17 4.336 -10.168 -11.203 1.00 0.00 H new ATOM 0 HB3 LEU B 17 4.112 -9.624 -9.552 1.00 0.00 H new ATOM 0 HG LEU B 17 5.306 -11.634 -8.739 1.00 0.00 H new ATOM 0 HD11 LEU B 17 6.669 -12.978 -10.304 1.00 0.00 H new ATOM 0 HD12 LEU B 17 4.925 -13.174 -10.603 1.00 0.00 H new ATOM 0 HD13 LEU B 17 5.902 -12.143 -11.676 1.00 0.00 H new ATOM 0 HD21 LEU B 17 7.575 -10.866 -9.529 1.00 0.00 H new ATOM 0 HD22 LEU B 17 6.789 -9.968 -10.849 1.00 0.00 H new ATOM 0 HD23 LEU B 17 6.515 -9.486 -9.158 1.00 0.00 H new ATOM 583 N VAL B 18 1.882 -11.027 -7.863 1.00 0.00 N ATOM 584 CA VAL B 18 1.462 -11.370 -6.492 1.00 0.00 C ATOM 585 C VAL B 18 0.115 -12.105 -6.457 1.00 0.00 C ATOM 586 O VAL B 18 -0.045 -13.075 -5.712 1.00 0.00 O ATOM 587 CB VAL B 18 1.436 -10.087 -5.633 1.00 0.00 C ATOM 588 CG1 VAL B 18 0.860 -10.320 -4.230 1.00 0.00 C ATOM 589 CG2 VAL B 18 2.869 -9.565 -5.461 1.00 0.00 C ATOM 0 H VAL B 18 1.562 -10.103 -8.155 1.00 0.00 H new ATOM 0 HA VAL B 18 2.188 -12.067 -6.074 1.00 0.00 H new ATOM 0 HB VAL B 18 0.798 -9.374 -6.155 1.00 0.00 H new ATOM 0 HG11 VAL B 18 0.867 -9.383 -3.673 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -0.164 -10.685 -4.313 1.00 0.00 H new ATOM 0 HG13 VAL B 18 1.467 -11.058 -3.706 1.00 0.00 H new ATOM 0 HG21 VAL B 18 2.856 -8.659 -4.855 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.476 -10.324 -4.966 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.295 -9.341 -6.439 1.00 0.00 H new ATOM 599 N CYS B 19 -0.855 -11.664 -7.259 1.00 0.00 N ATOM 600 CA CYS B 19 -2.249 -12.111 -7.191 1.00 0.00 C ATOM 601 C CYS B 19 -2.574 -13.322 -8.087 1.00 0.00 C ATOM 602 O CYS B 19 -3.442 -14.132 -7.749 1.00 0.00 O ATOM 603 CB CYS B 19 -3.120 -10.900 -7.550 1.00 0.00 C ATOM 604 SG CYS B 19 -4.897 -11.102 -7.301 1.00 0.00 S ATOM 0 H CYS B 19 -0.691 -10.971 -7.990 1.00 0.00 H new ATOM 0 HA CYS B 19 -2.451 -12.472 -6.183 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -2.785 -10.048 -6.958 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -2.946 -10.650 -8.596 1.00 0.00 H new ATOM 609 N GLY B 20 -1.874 -13.480 -9.218 1.00 0.00 N ATOM 610 CA GLY B 20 -2.125 -14.542 -10.197 1.00 0.00 C ATOM 611 C GLY B 20 -3.537 -14.499 -10.800 1.00 0.00 C ATOM 612 O GLY B 20 -4.092 -13.432 -11.066 1.00 0.00 O ATOM 0 H GLY B 20 -1.106 -12.863 -9.481 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -1.393 -14.465 -11.001 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -1.972 -15.509 -9.719 1.00 0.00 H new ATOM 616 N GLU B 21 -4.141 -15.675 -11.001 1.00 0.00 N ATOM 617 CA GLU B 21 -5.433 -15.843 -11.693 1.00 0.00 C ATOM 618 C GLU B 21 -6.671 -15.397 -10.877 1.00 0.00 C ATOM 619 O GLU B 21 -7.787 -15.393 -11.407 1.00 0.00 O ATOM 620 CB GLU B 21 -5.588 -17.310 -12.145 1.00 0.00 C ATOM 621 CG GLU B 21 -4.536 -17.729 -13.183 1.00 0.00 C ATOM 622 CD GLU B 21 -4.796 -19.162 -13.687 1.00 0.00 C ATOM 623 OE1 GLU B 21 -5.535 -19.333 -14.688 1.00 0.00 O ATOM 624 OE2 GLU B 21 -4.250 -20.128 -13.098 1.00 0.00 O ATOM 0 H GLU B 21 -3.741 -16.558 -10.682 1.00 0.00 H new ATOM 0 HA GLU B 21 -5.403 -15.173 -12.552 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -5.513 -17.963 -11.275 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -6.583 -17.452 -12.566 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -4.553 -17.035 -14.024 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -3.541 -17.670 -12.742 1.00 0.00 H new ATOM 631 N ARG B 22 -6.505 -14.979 -9.611 1.00 0.00 N ATOM 632 CA ARG B 22 -7.580 -14.413 -8.768 1.00 0.00 C ATOM 633 C ARG B 22 -8.188 -13.118 -9.329 1.00 0.00 C ATOM 634 O ARG B 22 -9.384 -12.873 -9.149 1.00 0.00 O ATOM 635 CB ARG B 22 -7.025 -14.125 -7.365 1.00 0.00 C ATOM 636 CG ARG B 22 -6.974 -15.377 -6.488 1.00 0.00 C ATOM 637 CD ARG B 22 -6.410 -15.027 -5.111 1.00 0.00 C ATOM 638 NE ARG B 22 -6.526 -16.172 -4.192 1.00 0.00 N ATOM 639 CZ ARG B 22 -7.223 -16.243 -3.070 1.00 0.00 C ATOM 640 NH1 ARG B 22 -7.936 -15.258 -2.601 1.00 0.00 N ATOM 641 NH2 ARG B 22 -7.211 -17.343 -2.374 1.00 0.00 N ATOM 0 H ARG B 22 -5.605 -15.024 -9.133 1.00 0.00 H new ATOM 0 HA ARG B 22 -8.376 -15.157 -8.743 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -6.023 -13.706 -7.453 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -7.645 -13.371 -6.880 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -7.973 -15.800 -6.384 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -6.354 -16.138 -6.962 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -5.364 -14.735 -5.205 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -6.945 -14.170 -4.701 1.00 0.00 H new ATOM 0 HE ARG B 22 -6.007 -17.011 -4.452 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -7.977 -14.373 -3.106 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -8.453 -15.373 -1.729 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -6.666 -18.144 -2.695 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -7.746 -17.404 -1.508 1.00 0.00 H new ATOM 655 N GLY B 23 -7.373 -12.305 -10.000 1.00 0.00 N ATOM 656 CA GLY B 23 -7.717 -10.946 -10.423 1.00 0.00 C ATOM 657 C GLY B 23 -7.693 -9.927 -9.271 1.00 0.00 C ATOM 658 O GLY B 23 -7.832 -10.269 -8.093 1.00 0.00 O ATOM 0 H GLY B 23 -6.429 -12.580 -10.272 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -7.019 -10.626 -11.197 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -8.710 -10.953 -10.872 1.00 0.00 H new ATOM 662 N PHE B 24 -7.481 -8.658 -9.618 1.00 0.00 N ATOM 663 CA PHE B 24 -7.243 -7.549 -8.688 1.00 0.00 C ATOM 664 C PHE B 24 -7.976 -6.267 -9.113 1.00 0.00 C ATOM 665 O PHE B 24 -8.390 -6.117 -10.267 1.00 0.00 O ATOM 666 CB PHE B 24 -5.725 -7.324 -8.562 1.00 0.00 C ATOM 667 CG PHE B 24 -4.989 -7.156 -9.881 1.00 0.00 C ATOM 668 CD1 PHE B 24 -4.938 -5.900 -10.512 1.00 0.00 C ATOM 669 CD2 PHE B 24 -4.368 -8.262 -10.490 1.00 0.00 C ATOM 670 CE1 PHE B 24 -4.255 -5.741 -11.729 1.00 0.00 C ATOM 671 CE2 PHE B 24 -3.695 -8.112 -11.712 1.00 0.00 C ATOM 672 CZ PHE B 24 -3.629 -6.849 -12.329 1.00 0.00 C ATOM 0 H PHE B 24 -7.469 -8.360 -10.593 1.00 0.00 H new ATOM 0 HA PHE B 24 -7.651 -7.813 -7.712 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -5.554 -6.437 -7.952 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -5.291 -8.168 -8.026 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -5.428 -5.052 -10.057 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -4.410 -9.231 -10.015 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -4.211 -4.771 -12.203 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -3.227 -8.966 -12.179 1.00 0.00 H new ATOM 0 HZ PHE B 24 -3.098 -6.730 -13.262 1.00 0.00 H new ATOM 682 N PHE B 25 -8.109 -5.317 -8.184 1.00 0.00 N ATOM 683 CA PHE B 25 -8.657 -3.981 -8.411 1.00 0.00 C ATOM 684 C PHE B 25 -7.624 -2.934 -7.979 1.00 0.00 C ATOM 685 O PHE B 25 -7.454 -2.672 -6.786 1.00 0.00 O ATOM 686 CB PHE B 25 -9.991 -3.843 -7.661 1.00 0.00 C ATOM 687 CG PHE B 25 -10.676 -2.504 -7.873 1.00 0.00 C ATOM 688 CD1 PHE B 25 -11.387 -2.262 -9.063 1.00 0.00 C ATOM 689 CD2 PHE B 25 -10.584 -1.493 -6.897 1.00 0.00 C ATOM 690 CE1 PHE B 25 -12.014 -1.020 -9.272 1.00 0.00 C ATOM 691 CE2 PHE B 25 -11.209 -0.251 -7.108 1.00 0.00 C ATOM 692 CZ PHE B 25 -11.919 -0.011 -8.297 1.00 0.00 C ATOM 0 H PHE B 25 -7.826 -5.465 -7.215 1.00 0.00 H new ATOM 0 HA PHE B 25 -8.864 -3.820 -9.469 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -10.662 -4.639 -7.983 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -9.815 -3.986 -6.595 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -11.452 -3.032 -9.818 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -10.033 -1.672 -5.986 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -12.568 -0.841 -10.181 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -11.143 0.520 -6.355 1.00 0.00 H new ATOM 0 HZ PHE B 25 -12.391 0.946 -8.462 1.00 0.00 H new ATOM 702 N TYR B 26 -6.902 -2.364 -8.948 1.00 0.00 N ATOM 703 CA TYR B 26 -5.932 -1.293 -8.698 1.00 0.00 C ATOM 704 C TYR B 26 -6.626 0.005 -8.244 1.00 0.00 C ATOM 705 O TYR B 26 -7.809 0.229 -8.510 1.00 0.00 O ATOM 706 CB TYR B 26 -5.025 -1.091 -9.924 1.00 0.00 C ATOM 707 CG TYR B 26 -5.731 -0.764 -11.229 1.00 0.00 C ATOM 708 CD1 TYR B 26 -6.057 0.569 -11.548 1.00 0.00 C ATOM 709 CD2 TYR B 26 -6.056 -1.799 -12.131 1.00 0.00 C ATOM 710 CE1 TYR B 26 -6.708 0.866 -12.760 1.00 0.00 C ATOM 711 CE2 TYR B 26 -6.710 -1.505 -13.344 1.00 0.00 C ATOM 712 CZ TYR B 26 -7.038 -0.167 -13.662 1.00 0.00 C ATOM 713 OH TYR B 26 -7.672 0.133 -14.826 1.00 0.00 O ATOM 0 H TYR B 26 -6.973 -2.632 -9.929 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.289 -1.593 -7.870 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -4.323 -0.287 -9.703 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -4.437 -1.997 -10.069 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -5.807 1.364 -10.861 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -5.802 -2.821 -11.891 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -6.956 1.889 -13.000 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -6.960 -2.301 -14.030 1.00 0.00 H new ATOM 0 HH TYR B 26 -7.827 -0.690 -15.336 1.00 0.00 H new ATOM 723 N THR B 27 -5.885 0.850 -7.517 1.00 0.00 N ATOM 724 CA THR B 27 -6.375 2.102 -6.899 1.00 0.00 C ATOM 725 C THR B 27 -7.627 1.955 -6.019 1.00 0.00 C ATOM 726 O THR B 27 -8.526 2.800 -6.015 1.00 0.00 O ATOM 727 CB THR B 27 -6.404 3.307 -7.865 1.00 0.00 C ATOM 728 OG1 THR B 27 -7.024 3.032 -9.102 1.00 0.00 O ATOM 729 CG2 THR B 27 -4.968 3.742 -8.165 1.00 0.00 C ATOM 0 H THR B 27 -4.896 0.682 -7.333 1.00 0.00 H new ATOM 0 HA THR B 27 -5.601 2.351 -6.173 1.00 0.00 H new ATOM 0 HB THR B 27 -6.984 4.081 -7.363 1.00 0.00 H new ATOM 0 HG1 THR B 27 -7.008 3.836 -9.662 1.00 0.00 H new ATOM 0 HG21 THR B 27 -4.980 4.593 -8.847 1.00 0.00 H new ATOM 0 HG22 THR B 27 -4.473 4.028 -7.237 1.00 0.00 H new ATOM 0 HG23 THR B 27 -4.426 2.916 -8.626 1.00 0.00 H new ATOM 737 N LYS B 28 -7.661 0.864 -5.238 1.00 0.00 N ATOM 738 CA LYS B 28 -8.608 0.612 -4.136 1.00 0.00 C ATOM 739 C LYS B 28 -8.526 1.764 -3.105 1.00 0.00 C ATOM 740 O LYS B 28 -7.461 2.384 -3.001 1.00 0.00 O ATOM 741 CB LYS B 28 -8.215 -0.746 -3.517 1.00 0.00 C ATOM 742 CG LYS B 28 -9.108 -1.270 -2.385 1.00 0.00 C ATOM 743 CD LYS B 28 -8.582 -2.635 -1.906 1.00 0.00 C ATOM 744 CE LYS B 28 -9.294 -3.141 -0.648 1.00 0.00 C ATOM 745 NZ LYS B 28 -10.686 -3.588 -0.918 1.00 0.00 N ATOM 0 H LYS B 28 -7.000 0.097 -5.362 1.00 0.00 H new ATOM 0 HA LYS B 28 -9.640 0.574 -4.484 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -8.201 -1.491 -4.312 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -7.196 -0.665 -3.138 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -9.117 -0.561 -1.557 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -10.136 -1.367 -2.734 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -8.704 -3.366 -2.705 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -7.513 -2.557 -1.706 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -8.727 -3.969 -0.222 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -9.310 -2.348 0.100 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -11.122 -3.920 -0.034 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -11.238 -2.793 -1.299 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -10.673 -4.364 -1.611 1.00 0.00 H new ATOM 759 N PRO B 29 -9.582 2.060 -2.317 1.00 0.00 N ATOM 760 CA PRO B 29 -9.577 3.169 -1.347 1.00 0.00 C ATOM 761 C PRO B 29 -8.506 3.113 -0.235 1.00 0.00 C ATOM 762 O PRO B 29 -8.283 4.126 0.439 1.00 0.00 O ATOM 763 CB PRO B 29 -10.986 3.191 -0.747 1.00 0.00 C ATOM 764 CG PRO B 29 -11.851 2.638 -1.874 1.00 0.00 C ATOM 765 CD PRO B 29 -10.949 1.565 -2.471 1.00 0.00 C ATOM 0 HA PRO B 29 -9.306 4.080 -1.880 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -11.052 2.576 0.150 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -11.288 4.200 -0.465 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -12.788 2.223 -1.503 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -12.110 3.405 -2.604 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -11.080 0.613 -1.956 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -11.187 1.395 -3.521 1.00 0.00 H new ATOM 773 N THR B 30 -7.833 1.968 -0.041 1.00 0.00 N ATOM 774 CA THR B 30 -6.703 1.765 0.893 1.00 0.00 C ATOM 775 C THR B 30 -5.521 2.699 0.604 1.00 0.00 C ATOM 776 O THR B 30 -5.156 3.494 1.497 1.00 0.00 O ATOM 777 CB THR B 30 -6.218 0.310 0.840 1.00 0.00 C ATOM 778 OG1 THR B 30 -7.321 -0.568 0.962 1.00 0.00 O ATOM 779 CG2 THR B 30 -5.234 -0.010 1.970 1.00 0.00 C ATOM 780 OXT THR B 30 -4.966 2.652 -0.517 1.00 0.00 O ATOM 0 H THR B 30 -8.069 1.117 -0.552 1.00 0.00 H new ATOM 0 HA THR B 30 -7.080 2.001 1.888 1.00 0.00 H new ATOM 0 HB THR B 30 -5.713 0.178 -0.117 1.00 0.00 H new ATOM 0 HG1 THR B 30 -7.017 -1.493 0.847 1.00 0.00 H new ATOM 0 HG21 THR B 30 -4.917 -1.050 1.893 1.00 0.00 H new ATOM 0 HG22 THR B 30 -4.364 0.641 1.890 1.00 0.00 H new ATOM 0 HG23 THR B 30 -5.720 0.151 2.932 1.00 0.00 H new TER 788 THR B 30