USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 638 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 65 ASN : amide:sc= 1.09 K(o=0.61,f=-0.18) USER MOD Set 1.2: A 66 GLN : amide:sc= -0.483 X(o=0.61,f=1) USER MOD Set 2.1: A 42 SER OG : rot 180:sc= -0.15 USER MOD Set 2.2: A 84 MET CE :methyl -148:sc= -3.7! (180deg=-4.81!) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 6:sc= 0.285 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.31 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 63:sc= 1.2 USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 23 MET CE :methyl -171:sc= -2.59 (180deg=-2.86!) USER MOD Single : A 25 LYS NZ :NH3+ 147:sc= 1.3 (180deg=1.05) USER MOD Single : A 26 THR OG1 : rot 83:sc= 1.14 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0.0684 X(o=0.068,f=-0.085) USER MOD Single : A 38 MET CE :methyl 133:sc= -0.206 (180deg=-1.46) USER MOD Single : A 40 ASN : amide:sc= 0.301 X(o=0.3,f=-0.13) USER MOD Single : A 45 SER OG : rot -98:sc= 1.16 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 170:sc= -0.0516 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -169:sc= -0.0177 (180deg=-0.213) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.051 K(o=-0.051,f=-0.61) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 23:sc= 0.435 USER MOD Single : A 89 LYS NZ :NH3+ -172:sc= 0.348 (180deg=0.26) USER MOD Single : A 90 LYS NZ :NH3+ 171:sc= 0.707 (180deg=0.47) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 7 2.237 -18.936 -4.215 1.00 0.00 N ATOM 2 CA ASN A 7 3.375 -19.696 -4.724 1.00 0.00 C ATOM 3 C ASN A 7 4.538 -18.754 -5.014 1.00 0.00 C ATOM 4 O ASN A 7 5.703 -19.161 -5.023 1.00 0.00 O ATOM 5 CB ASN A 7 2.989 -20.475 -6.003 1.00 0.00 C ATOM 6 CG ASN A 7 3.595 -19.883 -7.274 1.00 0.00 C ATOM 7 OD1 ASN A 7 4.657 -20.318 -7.736 1.00 0.00 O ATOM 8 ND2 ASN A 7 2.931 -18.892 -7.837 1.00 0.00 N ATOM 0 HA ASN A 7 3.677 -20.417 -3.964 1.00 0.00 H new ATOM 0 HB2 ASN A 7 3.314 -21.511 -5.902 1.00 0.00 H new ATOM 0 HB3 ASN A 7 1.903 -20.489 -6.098 1.00 0.00 H new ATOM 0 HD21 ASN A 7 3.290 -18.455 -8.686 1.00 0.00 H new ATOM 0 HD22 ASN A 7 2.058 -18.563 -7.424 1.00 0.00 H new ATOM 15 N GLY A 8 4.211 -17.497 -5.246 1.00 0.00 N ATOM 16 CA GLY A 8 5.209 -16.520 -5.565 1.00 0.00 C ATOM 17 C GLY A 8 4.592 -15.239 -6.062 1.00 0.00 C ATOM 18 O GLY A 8 3.867 -15.231 -7.061 1.00 0.00 O ATOM 0 H GLY A 8 3.257 -17.137 -5.217 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.813 -16.315 -4.681 1.00 0.00 H new ATOM 0 HA3 GLY A 8 5.881 -16.920 -6.325 1.00 0.00 H new ATOM 22 N LEU A 9 4.860 -14.166 -5.360 1.00 0.00 N ATOM 23 CA LEU A 9 4.348 -12.867 -5.717 1.00 0.00 C ATOM 24 C LEU A 9 5.480 -11.980 -6.231 1.00 0.00 C ATOM 25 O LEU A 9 6.652 -12.259 -5.959 1.00 0.00 O ATOM 26 CB LEU A 9 3.576 -12.197 -4.525 1.00 0.00 C ATOM 27 CG LEU A 9 4.110 -12.406 -3.074 1.00 0.00 C ATOM 28 CD1 LEU A 9 3.872 -13.833 -2.584 1.00 0.00 C ATOM 29 CD2 LEU A 9 5.584 -12.028 -2.952 1.00 0.00 C ATOM 0 H LEU A 9 5.441 -14.169 -4.522 1.00 0.00 H new ATOM 0 HA LEU A 9 3.623 -12.994 -6.521 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.544 -11.124 -4.714 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.547 -12.557 -4.554 1.00 0.00 H new ATOM 0 HG LEU A 9 3.542 -11.734 -2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.258 -13.939 -1.570 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.803 -14.046 -2.590 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.385 -14.534 -3.242 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.917 -12.188 -1.927 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.175 -12.647 -3.626 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.713 -10.978 -3.216 1.00 0.00 H new ATOM 41 N PRO A 10 5.153 -10.925 -7.004 1.00 0.00 N ATOM 42 CA PRO A 10 6.157 -10.004 -7.560 1.00 0.00 C ATOM 43 C PRO A 10 7.108 -9.457 -6.490 1.00 0.00 C ATOM 44 O PRO A 10 6.698 -9.185 -5.358 1.00 0.00 O ATOM 45 CB PRO A 10 5.308 -8.874 -8.148 1.00 0.00 C ATOM 46 CG PRO A 10 4.008 -9.513 -8.474 1.00 0.00 C ATOM 47 CD PRO A 10 3.781 -10.549 -7.411 1.00 0.00 C ATOM 0 HA PRO A 10 6.804 -10.496 -8.286 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.182 -8.060 -7.434 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.775 -8.449 -9.037 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.203 -8.778 -8.482 1.00 0.00 H new ATOM 0 HG3 PRO A 10 4.034 -9.968 -9.464 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.209 -10.148 -6.574 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.227 -11.405 -7.795 1.00 0.00 H new ATOM 55 N SER A 11 8.372 -9.297 -6.859 1.00 0.00 N ATOM 56 CA SER A 11 9.389 -8.788 -5.947 1.00 0.00 C ATOM 57 C SER A 11 9.040 -7.380 -5.461 1.00 0.00 C ATOM 58 O SER A 11 9.336 -7.010 -4.327 1.00 0.00 O ATOM 59 CB SER A 11 10.753 -8.799 -6.636 1.00 0.00 C ATOM 60 OG SER A 11 10.684 -8.188 -7.919 1.00 0.00 O ATOM 0 H SER A 11 8.720 -9.515 -7.793 1.00 0.00 H new ATOM 0 HA SER A 11 9.427 -9.438 -5.073 1.00 0.00 H new ATOM 0 HB2 SER A 11 11.480 -8.273 -6.018 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.104 -9.826 -6.737 1.00 0.00 H new ATOM 0 HG SER A 11 9.792 -7.805 -8.052 1.00 0.00 H new ATOM 66 N GLU A 12 8.381 -6.617 -6.323 1.00 0.00 N ATOM 67 CA GLU A 12 7.952 -5.265 -6.006 1.00 0.00 C ATOM 68 C GLU A 12 6.834 -5.273 -4.960 1.00 0.00 C ATOM 69 O GLU A 12 6.522 -4.250 -4.358 1.00 0.00 O ATOM 70 CB GLU A 12 7.503 -4.516 -7.279 1.00 0.00 C ATOM 71 CG GLU A 12 6.666 -5.347 -8.256 1.00 0.00 C ATOM 72 CD GLU A 12 7.516 -6.173 -9.211 1.00 0.00 C ATOM 73 OE1 GLU A 12 7.957 -7.274 -8.825 1.00 0.00 O ATOM 74 OE2 GLU A 12 7.753 -5.721 -10.343 1.00 0.00 O ATOM 0 H GLU A 12 8.129 -6.921 -7.264 1.00 0.00 H new ATOM 0 HA GLU A 12 8.806 -4.735 -5.583 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.926 -3.640 -6.983 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.389 -4.153 -7.800 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.012 -6.012 -7.692 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.023 -4.682 -8.833 1.00 0.00 H new ATOM 81 N THR A 13 6.226 -6.428 -4.774 1.00 0.00 N ATOM 82 CA THR A 13 5.184 -6.603 -3.782 1.00 0.00 C ATOM 83 C THR A 13 5.780 -7.156 -2.476 1.00 0.00 C ATOM 84 O THR A 13 5.223 -6.985 -1.392 1.00 0.00 O ATOM 85 CB THR A 13 4.126 -7.589 -4.311 1.00 0.00 C ATOM 86 OG1 THR A 13 3.782 -7.237 -5.657 1.00 0.00 O ATOM 87 CG2 THR A 13 2.874 -7.567 -3.451 1.00 0.00 C ATOM 0 H THR A 13 6.440 -7.271 -5.306 1.00 0.00 H new ATOM 0 HA THR A 13 4.722 -5.635 -3.585 1.00 0.00 H new ATOM 0 HB THR A 13 4.547 -8.594 -4.278 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.110 -7.864 -5.997 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.146 -8.273 -3.850 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.130 -7.848 -2.429 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.447 -6.564 -3.456 1.00 0.00 H new ATOM 95 N TYR A 14 6.926 -7.807 -2.606 1.00 0.00 N ATOM 96 CA TYR A 14 7.594 -8.455 -1.493 1.00 0.00 C ATOM 97 C TYR A 14 8.398 -7.470 -0.625 1.00 0.00 C ATOM 98 O TYR A 14 8.621 -7.720 0.565 1.00 0.00 O ATOM 99 CB TYR A 14 8.508 -9.561 -2.038 1.00 0.00 C ATOM 100 CG TYR A 14 9.379 -10.204 -0.998 1.00 0.00 C ATOM 101 CD1 TYR A 14 8.892 -11.210 -0.182 1.00 0.00 C ATOM 102 CD2 TYR A 14 10.692 -9.797 -0.828 1.00 0.00 C ATOM 103 CE1 TYR A 14 9.690 -11.792 0.778 1.00 0.00 C ATOM 104 CE2 TYR A 14 11.497 -10.369 0.123 1.00 0.00 C ATOM 105 CZ TYR A 14 10.993 -11.368 0.928 1.00 0.00 C ATOM 106 OH TYR A 14 11.795 -11.945 1.891 1.00 0.00 O ATOM 0 H TYR A 14 7.420 -7.900 -3.494 1.00 0.00 H new ATOM 0 HA TYR A 14 6.829 -8.881 -0.843 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.892 -10.329 -2.506 1.00 0.00 H new ATOM 0 HB3 TYR A 14 9.142 -9.141 -2.819 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.872 -11.544 -0.300 1.00 0.00 H new ATOM 0 HD2 TYR A 14 11.089 -9.014 -1.457 1.00 0.00 H new ATOM 0 HE1 TYR A 14 9.297 -12.576 1.409 1.00 0.00 H new ATOM 0 HE2 TYR A 14 12.519 -10.039 0.241 1.00 0.00 H new ATOM 0 HH TYR A 14 12.684 -11.534 1.865 1.00 0.00 H new ATOM 116 N ILE A 15 8.806 -6.356 -1.199 1.00 0.00 N ATOM 117 CA ILE A 15 9.639 -5.399 -0.477 1.00 0.00 C ATOM 118 C ILE A 15 8.812 -4.474 0.416 1.00 0.00 C ATOM 119 O ILE A 15 7.588 -4.570 0.457 1.00 0.00 O ATOM 120 CB ILE A 15 10.576 -4.588 -1.418 1.00 0.00 C ATOM 121 CG1 ILE A 15 9.846 -4.109 -2.684 1.00 0.00 C ATOM 122 CG2 ILE A 15 11.788 -5.424 -1.791 1.00 0.00 C ATOM 123 CD1 ILE A 15 8.842 -3.000 -2.452 1.00 0.00 C ATOM 0 H ILE A 15 8.579 -6.087 -2.156 1.00 0.00 H new ATOM 0 HA ILE A 15 10.282 -5.993 0.173 1.00 0.00 H new ATOM 0 HB ILE A 15 10.902 -3.700 -0.876 1.00 0.00 H new ATOM 0 HG12 ILE A 15 10.587 -3.765 -3.406 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.332 -4.958 -3.134 1.00 0.00 H new ATOM 0 HG21 ILE A 15 12.438 -4.848 -2.450 1.00 0.00 H new ATOM 0 HG22 ILE A 15 12.335 -5.695 -0.888 1.00 0.00 H new ATOM 0 HG23 ILE A 15 11.462 -6.329 -2.303 1.00 0.00 H new ATOM 0 HD11 ILE A 15 8.377 -2.727 -3.399 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.076 -3.343 -1.757 1.00 0.00 H new ATOM 0 HD13 ILE A 15 9.350 -2.131 -2.033 1.00 0.00 H new ATOM 135 N THR A 16 9.479 -3.595 1.142 1.00 0.00 N ATOM 136 CA THR A 16 8.794 -2.710 2.060 1.00 0.00 C ATOM 137 C THR A 16 8.297 -1.459 1.353 1.00 0.00 C ATOM 138 O THR A 16 8.864 -1.024 0.352 1.00 0.00 O ATOM 139 CB THR A 16 9.680 -2.314 3.277 1.00 0.00 C ATOM 140 OG1 THR A 16 8.999 -1.349 4.091 1.00 0.00 O ATOM 141 CG2 THR A 16 11.010 -1.734 2.831 1.00 0.00 C ATOM 0 H THR A 16 10.492 -3.477 1.112 1.00 0.00 H new ATOM 0 HA THR A 16 7.938 -3.267 2.440 1.00 0.00 H new ATOM 0 HB THR A 16 9.870 -3.220 3.852 1.00 0.00 H new ATOM 0 HG1 THR A 16 8.184 -1.749 4.461 1.00 0.00 H new ATOM 0 HG21 THR A 16 11.603 -1.469 3.706 1.00 0.00 H new ATOM 0 HG22 THR A 16 11.549 -2.473 2.238 1.00 0.00 H new ATOM 0 HG23 THR A 16 10.835 -0.843 2.228 1.00 0.00 H new ATOM 149 N CYS A 17 7.244 -0.887 1.893 1.00 0.00 N ATOM 150 CA CYS A 17 6.629 0.311 1.357 1.00 0.00 C ATOM 151 C CYS A 17 7.585 1.498 1.399 1.00 0.00 C ATOM 152 O CYS A 17 7.483 2.410 0.581 1.00 0.00 O ATOM 153 CB CYS A 17 5.382 0.605 2.148 1.00 0.00 C ATOM 154 SG CYS A 17 5.408 -0.172 3.786 1.00 0.00 S ATOM 0 H CYS A 17 6.783 -1.245 2.729 1.00 0.00 H new ATOM 0 HA CYS A 17 6.376 0.144 0.310 1.00 0.00 H new ATOM 0 HB2 CYS A 17 5.272 1.683 2.261 1.00 0.00 H new ATOM 0 HB3 CYS A 17 4.512 0.252 1.595 1.00 0.00 H new ATOM 159 N ALA A 18 8.518 1.479 2.351 1.00 0.00 N ATOM 160 CA ALA A 18 9.523 2.527 2.451 1.00 0.00 C ATOM 161 C ALA A 18 10.373 2.553 1.188 1.00 0.00 C ATOM 162 O ALA A 18 10.684 3.614 0.649 1.00 0.00 O ATOM 163 CB ALA A 18 10.398 2.309 3.677 1.00 0.00 C ATOM 0 H ALA A 18 8.595 0.750 3.060 1.00 0.00 H new ATOM 0 HA ALA A 18 9.020 3.488 2.556 1.00 0.00 H new ATOM 0 HB1 ALA A 18 11.144 3.101 3.737 1.00 0.00 H new ATOM 0 HB2 ALA A 18 9.779 2.325 4.574 1.00 0.00 H new ATOM 0 HB3 ALA A 18 10.899 1.344 3.600 1.00 0.00 H new ATOM 169 N GLU A 19 10.721 1.367 0.708 1.00 0.00 N ATOM 170 CA GLU A 19 11.504 1.225 -0.503 1.00 0.00 C ATOM 171 C GLU A 19 10.594 1.310 -1.732 1.00 0.00 C ATOM 172 O GLU A 19 11.046 1.626 -2.837 1.00 0.00 O ATOM 173 CB GLU A 19 12.266 -0.107 -0.483 1.00 0.00 C ATOM 174 CG GLU A 19 13.196 -0.314 -1.669 1.00 0.00 C ATOM 175 CD GLU A 19 14.015 -1.580 -1.555 1.00 0.00 C ATOM 176 OE1 GLU A 19 15.052 -1.557 -0.866 1.00 0.00 O ATOM 177 OE2 GLU A 19 13.638 -2.600 -2.167 1.00 0.00 O ATOM 0 H GLU A 19 10.468 0.482 1.148 1.00 0.00 H new ATOM 0 HA GLU A 19 12.229 2.037 -0.556 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.850 -0.165 0.436 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.545 -0.924 -0.454 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.607 -0.349 -2.585 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.867 0.541 -1.753 1.00 0.00 H new ATOM 184 N ALA A 20 9.298 1.054 -1.526 1.00 0.00 N ATOM 185 CA ALA A 20 8.342 1.101 -2.606 1.00 0.00 C ATOM 186 C ALA A 20 8.185 2.527 -3.101 1.00 0.00 C ATOM 187 O ALA A 20 7.864 2.759 -4.257 1.00 0.00 O ATOM 188 CB ALA A 20 7.000 0.537 -2.166 1.00 0.00 C ATOM 0 H ALA A 20 8.900 0.814 -0.618 1.00 0.00 H new ATOM 0 HA ALA A 20 8.714 0.484 -3.424 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.296 0.583 -2.997 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.126 -0.500 -1.854 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.615 1.123 -1.331 1.00 0.00 H new ATOM 194 N ASN A 21 8.425 3.480 -2.204 1.00 0.00 N ATOM 195 CA ASN A 21 8.358 4.895 -2.544 1.00 0.00 C ATOM 196 C ASN A 21 9.500 5.249 -3.489 1.00 0.00 C ATOM 197 O ASN A 21 9.292 5.879 -4.525 1.00 0.00 O ATOM 198 CB ASN A 21 8.434 5.751 -1.276 1.00 0.00 C ATOM 199 CG ASN A 21 8.331 7.238 -1.563 1.00 0.00 C ATOM 200 OD1 ASN A 21 7.691 7.657 -2.525 1.00 0.00 O ATOM 201 ND2 ASN A 21 8.952 8.040 -0.727 1.00 0.00 N ATOM 0 H ASN A 21 8.669 3.294 -1.231 1.00 0.00 H new ATOM 0 HA ASN A 21 7.409 5.097 -3.040 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.632 5.460 -0.598 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.374 5.549 -0.763 1.00 0.00 H new ATOM 0 HD21 ASN A 21 8.913 9.050 -0.865 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.473 7.652 0.060 1.00 0.00 H new ATOM 208 N GLU A 22 10.708 4.842 -3.112 1.00 0.00 N ATOM 209 CA GLU A 22 11.883 5.027 -3.955 1.00 0.00 C ATOM 210 C GLU A 22 11.652 4.411 -5.332 1.00 0.00 C ATOM 211 O GLU A 22 11.991 5.005 -6.356 1.00 0.00 O ATOM 212 CB GLU A 22 13.115 4.408 -3.298 1.00 0.00 C ATOM 213 CG GLU A 22 13.614 5.169 -2.085 1.00 0.00 C ATOM 214 CD GLU A 22 14.106 6.555 -2.440 1.00 0.00 C ATOM 215 OE1 GLU A 22 15.264 6.683 -2.896 1.00 0.00 O ATOM 216 OE2 GLU A 22 13.347 7.525 -2.266 1.00 0.00 O ATOM 0 H GLU A 22 10.899 4.379 -2.223 1.00 0.00 H new ATOM 0 HA GLU A 22 12.055 6.096 -4.076 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.881 3.385 -3.002 1.00 0.00 H new ATOM 0 HB3 GLU A 22 13.917 4.351 -4.034 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.811 5.247 -1.352 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.422 4.609 -1.614 1.00 0.00 H new ATOM 223 N MET A 23 11.083 3.214 -5.347 1.00 0.00 N ATOM 224 CA MET A 23 10.755 2.537 -6.591 1.00 0.00 C ATOM 225 C MET A 23 9.668 3.306 -7.353 1.00 0.00 C ATOM 226 O MET A 23 9.736 3.439 -8.555 1.00 0.00 O ATOM 227 CB MET A 23 10.304 1.100 -6.308 1.00 0.00 C ATOM 228 CG MET A 23 9.952 0.297 -7.553 1.00 0.00 C ATOM 229 SD MET A 23 9.621 -1.442 -7.187 1.00 0.00 S ATOM 230 CE MET A 23 8.264 -1.299 -6.026 1.00 0.00 C ATOM 0 H MET A 23 10.838 2.690 -4.506 1.00 0.00 H new ATOM 0 HA MET A 23 11.648 2.503 -7.215 1.00 0.00 H new ATOM 0 HB2 MET A 23 11.097 0.582 -5.768 1.00 0.00 H new ATOM 0 HB3 MET A 23 9.436 1.127 -5.650 1.00 0.00 H new ATOM 0 HG2 MET A 23 9.076 0.737 -8.029 1.00 0.00 H new ATOM 0 HG3 MET A 23 10.772 0.364 -8.268 1.00 0.00 H new ATOM 0 HE1 MET A 23 8.055 -2.275 -5.588 1.00 0.00 H new ATOM 0 HE2 MET A 23 8.533 -0.597 -5.236 1.00 0.00 H new ATOM 0 HE3 MET A 23 7.377 -0.937 -6.546 1.00 0.00 H new ATOM 240 N ALA A 24 8.662 3.786 -6.624 1.00 0.00 N ATOM 241 CA ALA A 24 7.577 4.599 -7.202 1.00 0.00 C ATOM 242 C ALA A 24 8.113 5.783 -8.022 1.00 0.00 C ATOM 243 O ALA A 24 7.451 6.262 -8.931 1.00 0.00 O ATOM 244 CB ALA A 24 6.640 5.098 -6.111 1.00 0.00 C ATOM 0 H ALA A 24 8.570 3.627 -5.621 1.00 0.00 H new ATOM 0 HA ALA A 24 7.022 3.953 -7.882 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.846 5.696 -6.559 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.203 4.247 -5.589 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.199 5.709 -5.403 1.00 0.00 H new ATOM 250 N LYS A 25 9.310 6.242 -7.697 1.00 0.00 N ATOM 251 CA LYS A 25 9.936 7.337 -8.433 1.00 0.00 C ATOM 252 C LYS A 25 10.290 6.921 -9.869 1.00 0.00 C ATOM 253 O LYS A 25 10.513 7.767 -10.736 1.00 0.00 O ATOM 254 CB LYS A 25 11.176 7.821 -7.693 1.00 0.00 C ATOM 255 CG LYS A 25 10.861 8.469 -6.358 1.00 0.00 C ATOM 256 CD LYS A 25 12.118 8.813 -5.592 1.00 0.00 C ATOM 257 CE LYS A 25 11.790 9.571 -4.323 1.00 0.00 C ATOM 258 NZ LYS A 25 12.995 9.835 -3.505 1.00 0.00 N ATOM 0 H LYS A 25 9.871 5.876 -6.928 1.00 0.00 H new ATOM 0 HA LYS A 25 9.219 8.155 -8.497 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.847 6.977 -7.531 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.709 8.536 -8.320 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.276 9.374 -6.522 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.245 7.795 -5.763 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.659 7.900 -5.345 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.777 9.414 -6.219 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.312 10.517 -4.579 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.071 9.000 -3.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.887 10.744 -3.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.114 9.073 -2.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.832 9.874 -4.122 1.00 0.00 H new ATOM 272 N THR A 26 10.324 5.622 -10.107 1.00 0.00 N ATOM 273 CA THR A 26 10.619 5.091 -11.427 1.00 0.00 C ATOM 274 C THR A 26 9.450 4.256 -11.935 1.00 0.00 C ATOM 275 O THR A 26 9.092 4.311 -13.110 1.00 0.00 O ATOM 276 CB THR A 26 11.906 4.225 -11.430 1.00 0.00 C ATOM 277 OG1 THR A 26 11.797 3.170 -10.461 1.00 0.00 O ATOM 278 CG2 THR A 26 13.131 5.072 -11.115 1.00 0.00 C ATOM 0 H THR A 26 10.150 4.910 -9.398 1.00 0.00 H new ATOM 0 HA THR A 26 10.781 5.944 -12.087 1.00 0.00 H new ATOM 0 HB THR A 26 12.020 3.796 -12.426 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.304 2.418 -10.851 1.00 0.00 H new ATOM 0 HG21 THR A 26 14.021 4.442 -11.123 1.00 0.00 H new ATOM 0 HG22 THR A 26 13.234 5.856 -11.866 1.00 0.00 H new ATOM 0 HG23 THR A 26 13.016 5.526 -10.130 1.00 0.00 H new ATOM 286 N ASP A 27 8.856 3.490 -11.035 1.00 0.00 N ATOM 287 CA ASP A 27 7.745 2.616 -11.363 1.00 0.00 C ATOM 288 C ASP A 27 6.523 2.975 -10.518 1.00 0.00 C ATOM 289 O ASP A 27 6.000 2.142 -9.772 1.00 0.00 O ATOM 290 CB ASP A 27 8.134 1.150 -11.112 1.00 0.00 C ATOM 291 CG ASP A 27 9.407 0.739 -11.827 1.00 0.00 C ATOM 292 OD1 ASP A 27 9.327 0.308 -12.998 1.00 0.00 O ATOM 293 OD2 ASP A 27 10.498 0.840 -11.219 1.00 0.00 O ATOM 0 H ASP A 27 9.133 3.458 -10.054 1.00 0.00 H new ATOM 0 HA ASP A 27 7.500 2.746 -12.417 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.260 0.992 -10.041 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.318 0.504 -11.436 1.00 0.00 H new ATOM 298 N SER A 28 6.082 4.221 -10.630 1.00 0.00 N ATOM 299 CA SER A 28 4.935 4.719 -9.873 1.00 0.00 C ATOM 300 C SER A 28 3.675 3.907 -10.155 1.00 0.00 C ATOM 301 O SER A 28 2.957 3.513 -9.231 1.00 0.00 O ATOM 302 CB SER A 28 4.697 6.196 -10.201 1.00 0.00 C ATOM 303 OG SER A 28 4.619 6.394 -11.606 1.00 0.00 O ATOM 0 H SER A 28 6.506 4.915 -11.245 1.00 0.00 H new ATOM 0 HA SER A 28 5.163 4.613 -8.812 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.774 6.534 -9.730 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.505 6.800 -9.788 1.00 0.00 H new ATOM 0 HG SER A 28 4.465 7.343 -11.795 1.00 0.00 H new ATOM 309 N ALA A 29 3.430 3.631 -11.427 1.00 0.00 N ATOM 310 CA ALA A 29 2.251 2.888 -11.839 1.00 0.00 C ATOM 311 C ALA A 29 2.321 1.448 -11.359 1.00 0.00 C ATOM 312 O ALA A 29 1.306 0.777 -11.234 1.00 0.00 O ATOM 313 CB ALA A 29 2.093 2.941 -13.352 1.00 0.00 C ATOM 0 H ALA A 29 4.038 3.913 -12.196 1.00 0.00 H new ATOM 0 HA ALA A 29 1.378 3.353 -11.382 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.206 2.380 -13.645 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.988 3.978 -13.671 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.972 2.503 -13.825 1.00 0.00 H new ATOM 319 N GLN A 30 3.524 0.981 -11.080 1.00 0.00 N ATOM 320 CA GLN A 30 3.720 -0.376 -10.610 1.00 0.00 C ATOM 321 C GLN A 30 3.318 -0.498 -9.141 1.00 0.00 C ATOM 322 O GLN A 30 2.693 -1.474 -8.740 1.00 0.00 O ATOM 323 CB GLN A 30 5.176 -0.804 -10.799 1.00 0.00 C ATOM 324 CG GLN A 30 5.453 -2.248 -10.417 1.00 0.00 C ATOM 325 CD GLN A 30 4.649 -3.232 -11.247 1.00 0.00 C ATOM 326 OE1 GLN A 30 5.095 -3.681 -12.300 1.00 0.00 O ATOM 327 NE2 GLN A 30 3.460 -3.566 -10.782 1.00 0.00 N ATOM 0 H GLN A 30 4.382 1.524 -11.171 1.00 0.00 H new ATOM 0 HA GLN A 30 3.085 -1.037 -11.199 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.454 -0.656 -11.842 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.815 -0.153 -10.203 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.516 -2.456 -10.541 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.221 -2.393 -9.362 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.127 -3.170 -9.903 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.874 -4.220 -11.302 1.00 0.00 H new ATOM 336 N VAL A 31 3.653 0.512 -8.357 1.00 0.00 N ATOM 337 CA VAL A 31 3.344 0.520 -6.937 1.00 0.00 C ATOM 338 C VAL A 31 1.869 0.814 -6.734 1.00 0.00 C ATOM 339 O VAL A 31 1.241 0.313 -5.799 1.00 0.00 O ATOM 340 CB VAL A 31 4.191 1.579 -6.187 1.00 0.00 C ATOM 341 CG1 VAL A 31 3.909 1.548 -4.687 1.00 0.00 C ATOM 342 CG2 VAL A 31 5.670 1.362 -6.454 1.00 0.00 C ATOM 0 H VAL A 31 4.144 1.345 -8.683 1.00 0.00 H new ATOM 0 HA VAL A 31 3.584 -0.463 -6.532 1.00 0.00 H new ATOM 0 HB VAL A 31 3.909 2.563 -6.562 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.517 2.302 -4.187 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.854 1.758 -4.511 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.154 0.562 -4.291 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.250 2.114 -5.920 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.960 0.369 -6.111 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.863 1.447 -7.523 1.00 0.00 H new ATOM 352 N ALA A 32 1.314 1.585 -7.656 1.00 0.00 N ATOM 353 CA ALA A 32 -0.076 1.980 -7.589 1.00 0.00 C ATOM 354 C ALA A 32 -0.981 0.779 -7.816 1.00 0.00 C ATOM 355 O ALA A 32 -2.073 0.703 -7.270 1.00 0.00 O ATOM 356 CB ALA A 32 -0.363 3.066 -8.608 1.00 0.00 C ATOM 0 H ALA A 32 1.815 1.951 -8.466 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.278 2.377 -6.594 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.412 3.354 -8.547 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.264 3.933 -8.402 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -0.147 2.692 -9.609 1.00 0.00 H new ATOM 362 N GLU A 33 -0.514 -0.158 -8.627 1.00 0.00 N ATOM 363 CA GLU A 33 -1.271 -1.365 -8.913 1.00 0.00 C ATOM 364 C GLU A 33 -1.375 -2.264 -7.695 1.00 0.00 C ATOM 365 O GLU A 33 -2.441 -2.774 -7.392 1.00 0.00 O ATOM 366 CB GLU A 33 -0.643 -2.140 -10.066 1.00 0.00 C ATOM 367 CG GLU A 33 -0.734 -1.431 -11.395 1.00 0.00 C ATOM 368 CD GLU A 33 -2.155 -1.104 -11.773 1.00 0.00 C ATOM 369 OE1 GLU A 33 -2.865 -2.003 -12.246 1.00 0.00 O ATOM 370 OE2 GLU A 33 -2.566 0.060 -11.610 1.00 0.00 O ATOM 0 H GLU A 33 0.388 -0.104 -9.099 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.276 -1.051 -9.196 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.406 -2.329 -9.836 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.132 -3.111 -10.148 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.151 -0.511 -11.354 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.289 -2.056 -12.169 1.00 0.00 H new ATOM 377 N ILE A 34 -0.280 -2.425 -6.977 1.00 0.00 N ATOM 378 CA ILE A 34 -0.260 -3.327 -5.838 1.00 0.00 C ATOM 379 C ILE A 34 -1.106 -2.778 -4.707 1.00 0.00 C ATOM 380 O ILE A 34 -1.912 -3.503 -4.111 1.00 0.00 O ATOM 381 CB ILE A 34 1.193 -3.624 -5.337 1.00 0.00 C ATOM 382 CG1 ILE A 34 1.870 -4.698 -6.209 1.00 0.00 C ATOM 383 CG2 ILE A 34 1.192 -4.068 -3.878 1.00 0.00 C ATOM 384 CD1 ILE A 34 2.077 -4.307 -7.655 1.00 0.00 C ATOM 0 H ILE A 34 0.603 -1.947 -7.159 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.685 -4.273 -6.175 1.00 0.00 H new ATOM 0 HB ILE A 34 1.761 -2.697 -5.419 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.838 -4.943 -5.772 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.267 -5.605 -6.176 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.215 -4.267 -3.558 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.765 -3.280 -3.258 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.596 -4.975 -3.774 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.559 -5.126 -8.188 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.113 -4.093 -8.116 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.708 -3.420 -7.705 1.00 0.00 H new ATOM 396 N VAL A 35 -0.952 -1.492 -4.431 1.00 0.00 N ATOM 397 CA VAL A 35 -1.710 -0.865 -3.361 1.00 0.00 C ATOM 398 C VAL A 35 -3.208 -0.807 -3.694 1.00 0.00 C ATOM 399 O VAL A 35 -4.051 -0.828 -2.803 1.00 0.00 O ATOM 400 CB VAL A 35 -1.186 0.553 -3.020 1.00 0.00 C ATOM 401 CG1 VAL A 35 0.263 0.494 -2.560 1.00 0.00 C ATOM 402 CG2 VAL A 35 -1.337 1.501 -4.199 1.00 0.00 C ATOM 0 H VAL A 35 -0.316 -0.868 -4.928 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.571 -1.492 -2.480 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.793 0.942 -2.203 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.612 1.500 -2.326 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.337 -0.132 -1.671 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.880 0.072 -3.354 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.960 2.486 -3.924 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.770 1.119 -5.048 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.390 1.579 -4.471 1.00 0.00 H new ATOM 412 N ALA A 36 -3.525 -0.746 -4.979 1.00 0.00 N ATOM 413 CA ALA A 36 -4.909 -0.683 -5.423 1.00 0.00 C ATOM 414 C ALA A 36 -5.543 -2.066 -5.523 1.00 0.00 C ATOM 415 O ALA A 36 -6.555 -2.336 -4.878 1.00 0.00 O ATOM 416 CB ALA A 36 -5.012 0.034 -6.759 1.00 0.00 C ATOM 0 H ALA A 36 -2.840 -0.739 -5.734 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.460 -0.119 -4.670 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.055 0.070 -7.073 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.628 1.049 -6.658 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.427 -0.502 -7.506 1.00 0.00 H new ATOM 422 N VAL A 37 -4.932 -2.942 -6.327 1.00 0.00 N ATOM 423 CA VAL A 37 -5.487 -4.271 -6.596 1.00 0.00 C ATOM 424 C VAL A 37 -5.767 -5.057 -5.323 1.00 0.00 C ATOM 425 O VAL A 37 -6.925 -5.325 -5.010 1.00 0.00 O ATOM 426 CB VAL A 37 -4.587 -5.103 -7.552 1.00 0.00 C ATOM 427 CG1 VAL A 37 -5.125 -6.522 -7.711 1.00 0.00 C ATOM 428 CG2 VAL A 37 -4.493 -4.426 -8.912 1.00 0.00 C ATOM 0 H VAL A 37 -4.050 -2.753 -6.804 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.440 -4.093 -7.095 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.591 -5.160 -7.114 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.477 -7.083 -8.385 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.149 -7.013 -6.738 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.133 -6.485 -8.124 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.860 -5.020 -9.571 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.489 -4.341 -9.346 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.063 -3.431 -8.794 1.00 0.00 H new ATOM 438 N MET A 38 -4.736 -5.428 -4.582 1.00 0.00 N ATOM 439 CA MET A 38 -4.942 -6.180 -3.360 1.00 0.00 C ATOM 440 C MET A 38 -5.566 -5.317 -2.286 1.00 0.00 C ATOM 441 O MET A 38 -6.448 -5.765 -1.575 1.00 0.00 O ATOM 442 CB MET A 38 -3.619 -6.747 -2.851 1.00 0.00 C ATOM 443 CG MET A 38 -3.757 -7.587 -1.588 1.00 0.00 C ATOM 444 SD MET A 38 -2.173 -7.944 -0.808 1.00 0.00 S ATOM 445 CE MET A 38 -1.659 -6.293 -0.328 1.00 0.00 C ATOM 0 H MET A 38 -3.761 -5.223 -4.803 1.00 0.00 H new ATOM 0 HA MET A 38 -5.623 -7.000 -3.589 1.00 0.00 H new ATOM 0 HB2 MET A 38 -3.170 -7.357 -3.635 1.00 0.00 H new ATOM 0 HB3 MET A 38 -2.932 -5.923 -2.655 1.00 0.00 H new ATOM 0 HG2 MET A 38 -4.397 -7.063 -0.877 1.00 0.00 H new ATOM 0 HG3 MET A 38 -4.255 -8.525 -1.834 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.311 -6.306 0.705 1.00 0.00 H new ATOM 0 HE2 MET A 38 -0.851 -5.960 -0.979 1.00 0.00 H new ATOM 0 HE3 MET A 38 -2.503 -5.609 -0.418 1.00 0.00 H new ATOM 455 N GLY A 39 -5.107 -4.074 -2.188 1.00 0.00 N ATOM 456 CA GLY A 39 -5.591 -3.173 -1.154 1.00 0.00 C ATOM 457 C GLY A 39 -7.105 -3.063 -1.113 1.00 0.00 C ATOM 458 O GLY A 39 -7.722 -3.391 -0.106 1.00 0.00 O ATOM 0 H GLY A 39 -4.405 -3.671 -2.809 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.232 -3.518 -0.184 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.166 -2.183 -1.317 1.00 0.00 H new ATOM 462 N ASN A 40 -7.695 -2.630 -2.218 1.00 0.00 N ATOM 463 CA ASN A 40 -9.151 -2.438 -2.306 1.00 0.00 C ATOM 464 C ASN A 40 -9.931 -3.709 -1.931 1.00 0.00 C ATOM 465 O ASN A 40 -10.991 -3.633 -1.315 1.00 0.00 O ATOM 466 CB ASN A 40 -9.544 -1.950 -3.715 1.00 0.00 C ATOM 467 CG ASN A 40 -10.058 -3.054 -4.634 1.00 0.00 C ATOM 468 OD1 ASN A 40 -11.256 -3.344 -4.677 1.00 0.00 O ATOM 469 ND2 ASN A 40 -9.158 -3.670 -5.369 1.00 0.00 N ATOM 0 H ASN A 40 -7.192 -2.402 -3.075 1.00 0.00 H new ATOM 0 HA ASN A 40 -9.423 -1.674 -1.578 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -10.312 -1.183 -3.621 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.678 -1.479 -4.180 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -9.442 -4.417 -6.003 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -8.176 -3.401 -5.305 1.00 0.00 H new ATOM 476 N ALA A 41 -9.395 -4.869 -2.288 1.00 0.00 N ATOM 477 CA ALA A 41 -10.059 -6.130 -2.001 1.00 0.00 C ATOM 478 C ALA A 41 -9.781 -6.589 -0.572 1.00 0.00 C ATOM 479 O ALA A 41 -10.643 -7.172 0.086 1.00 0.00 O ATOM 480 CB ALA A 41 -9.629 -7.192 -3.001 1.00 0.00 C ATOM 0 H ALA A 41 -8.504 -4.961 -2.776 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.134 -5.976 -2.096 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.134 -8.131 -2.774 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.894 -6.872 -4.009 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.550 -7.336 -2.938 1.00 0.00 H new ATOM 486 N SER A 42 -8.574 -6.341 -0.109 1.00 0.00 N ATOM 487 CA SER A 42 -8.181 -6.711 1.233 1.00 0.00 C ATOM 488 C SER A 42 -8.919 -5.878 2.286 1.00 0.00 C ATOM 489 O SER A 42 -9.434 -6.422 3.253 1.00 0.00 O ATOM 490 CB SER A 42 -6.667 -6.602 1.407 1.00 0.00 C ATOM 491 OG SER A 42 -6.268 -7.104 2.665 1.00 0.00 O ATOM 0 H SER A 42 -7.842 -5.880 -0.649 1.00 0.00 H new ATOM 0 HA SER A 42 -8.465 -7.752 1.384 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.165 -7.156 0.614 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.360 -5.560 1.312 1.00 0.00 H new ATOM 0 HG SER A 42 -5.295 -7.026 2.755 1.00 0.00 H new ATOM 497 N VAL A 43 -8.996 -4.559 2.094 1.00 0.00 N ATOM 498 CA VAL A 43 -9.713 -3.707 3.051 1.00 0.00 C ATOM 499 C VAL A 43 -11.212 -3.994 2.984 1.00 0.00 C ATOM 500 O VAL A 43 -11.955 -3.783 3.947 1.00 0.00 O ATOM 501 CB VAL A 43 -9.436 -2.189 2.830 1.00 0.00 C ATOM 502 CG1 VAL A 43 -9.805 -1.758 1.428 1.00 0.00 C ATOM 503 CG2 VAL A 43 -10.165 -1.337 3.866 1.00 0.00 C ATOM 0 H VAL A 43 -8.582 -4.064 1.304 1.00 0.00 H new ATOM 0 HA VAL A 43 -9.339 -3.951 4.045 1.00 0.00 H new ATOM 0 HB VAL A 43 -8.365 -2.033 2.957 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.599 -0.694 1.308 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -9.217 -2.325 0.706 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -10.865 -1.944 1.257 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.952 -0.283 3.686 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -11.239 -1.509 3.788 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -9.826 -1.610 4.865 1.00 0.00 H new ATOM 513 N ALA A 44 -11.633 -4.542 1.855 1.00 0.00 N ATOM 514 CA ALA A 44 -13.018 -4.910 1.627 1.00 0.00 C ATOM 515 C ALA A 44 -13.463 -6.028 2.581 1.00 0.00 C ATOM 516 O ALA A 44 -14.637 -6.342 2.663 1.00 0.00 O ATOM 517 CB ALA A 44 -13.230 -5.327 0.178 1.00 0.00 C ATOM 0 H ALA A 44 -11.018 -4.745 1.067 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.633 -4.034 1.830 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.275 -5.599 0.027 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -12.972 -4.498 -0.481 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -12.595 -6.183 -0.051 1.00 0.00 H new ATOM 523 N SER A 45 -12.516 -6.610 3.305 1.00 0.00 N ATOM 524 CA SER A 45 -12.825 -7.705 4.214 1.00 0.00 C ATOM 525 C SER A 45 -13.272 -7.170 5.579 1.00 0.00 C ATOM 526 O SER A 45 -14.039 -7.818 6.290 1.00 0.00 O ATOM 527 CB SER A 45 -11.618 -8.633 4.382 1.00 0.00 C ATOM 528 OG SER A 45 -10.528 -7.954 4.980 1.00 0.00 O ATOM 0 H SER A 45 -11.532 -6.343 3.281 1.00 0.00 H new ATOM 0 HA SER A 45 -13.644 -8.278 3.779 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.897 -9.489 4.996 1.00 0.00 H new ATOM 0 HB3 SER A 45 -11.318 -9.023 3.409 1.00 0.00 H new ATOM 0 HG SER A 45 -9.907 -7.655 4.283 1.00 0.00 H new ATOM 534 N ARG A 46 -12.794 -5.976 5.935 1.00 0.00 N ATOM 535 CA ARG A 46 -13.122 -5.385 7.231 1.00 0.00 C ATOM 536 C ARG A 46 -14.043 -4.183 7.065 1.00 0.00 C ATOM 537 O ARG A 46 -14.764 -3.811 7.988 1.00 0.00 O ATOM 538 CB ARG A 46 -11.843 -4.932 7.938 1.00 0.00 C ATOM 539 CG ARG A 46 -10.854 -6.047 8.233 1.00 0.00 C ATOM 540 CD ARG A 46 -9.533 -5.482 8.733 1.00 0.00 C ATOM 541 NE ARG A 46 -8.584 -6.533 9.098 1.00 0.00 N ATOM 542 CZ ARG A 46 -7.365 -6.679 8.568 1.00 0.00 C ATOM 543 NH1 ARG A 46 -6.949 -5.875 7.597 1.00 0.00 N ATOM 544 NH2 ARG A 46 -6.562 -7.634 9.003 1.00 0.00 N ATOM 0 H ARG A 46 -12.184 -5.405 5.350 1.00 0.00 H new ATOM 0 HA ARG A 46 -13.630 -6.144 7.826 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.350 -4.180 7.322 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.114 -4.447 8.876 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -11.272 -6.721 8.981 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.684 -6.636 7.332 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.094 -4.851 7.960 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.717 -4.845 9.598 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.873 -7.204 9.809 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.561 -5.137 7.248 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.017 -5.995 7.200 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.871 -8.262 9.745 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.633 -7.743 8.597 1.00 0.00 H new ATOM 558 N ASP A 47 -14.013 -3.585 5.895 1.00 0.00 N ATOM 559 CA ASP A 47 -14.838 -2.424 5.622 1.00 0.00 C ATOM 560 C ASP A 47 -16.031 -2.788 4.755 1.00 0.00 C ATOM 561 O ASP A 47 -17.152 -2.372 5.038 1.00 0.00 O ATOM 562 CB ASP A 47 -14.003 -1.324 4.960 1.00 0.00 C ATOM 563 CG ASP A 47 -14.765 -0.029 4.769 1.00 0.00 C ATOM 564 OD1 ASP A 47 -15.526 0.363 5.676 1.00 0.00 O ATOM 565 OD2 ASP A 47 -14.580 0.622 3.725 1.00 0.00 O ATOM 0 H ASP A 47 -13.426 -3.882 5.115 1.00 0.00 H new ATOM 0 HA ASP A 47 -15.221 -2.049 6.571 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -13.119 -1.132 5.569 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.651 -1.677 3.991 1.00 0.00 H new ATOM 570 N LEU A 48 -15.776 -3.583 3.700 1.00 0.00 N ATOM 571 CA LEU A 48 -16.819 -4.020 2.740 1.00 0.00 C ATOM 572 C LEU A 48 -17.289 -2.854 1.866 1.00 0.00 C ATOM 573 O LEU A 48 -17.176 -2.893 0.644 1.00 0.00 O ATOM 574 CB LEU A 48 -18.023 -4.657 3.468 1.00 0.00 C ATOM 575 CG LEU A 48 -17.758 -5.987 4.181 1.00 0.00 C ATOM 576 CD1 LEU A 48 -18.891 -6.310 5.137 1.00 0.00 C ATOM 577 CD2 LEU A 48 -17.599 -7.110 3.169 1.00 0.00 C ATOM 0 H LEU A 48 -14.846 -3.942 3.485 1.00 0.00 H new ATOM 0 HA LEU A 48 -16.369 -4.776 2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -18.396 -3.943 4.203 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -18.820 -4.811 2.741 1.00 0.00 H new ATOM 0 HG LEU A 48 -16.833 -5.892 4.750 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -18.687 -7.258 5.635 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -18.975 -5.519 5.882 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -19.826 -6.386 4.581 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -17.411 -8.048 3.692 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -18.511 -7.200 2.579 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -16.760 -6.889 2.509 1.00 0.00 H new ATOM 589 N LYS A 49 -17.775 -1.823 2.516 1.00 0.00 N ATOM 590 CA LYS A 49 -18.305 -0.621 1.868 1.00 0.00 C ATOM 591 C LYS A 49 -17.168 0.336 1.471 1.00 0.00 C ATOM 592 O LYS A 49 -17.347 1.562 1.446 1.00 0.00 O ATOM 593 CB LYS A 49 -19.241 0.078 2.856 1.00 0.00 C ATOM 594 CG LYS A 49 -18.553 0.407 4.169 1.00 0.00 C ATOM 595 CD LYS A 49 -19.513 0.865 5.244 1.00 0.00 C ATOM 596 CE LYS A 49 -18.796 0.952 6.581 1.00 0.00 C ATOM 597 NZ LYS A 49 -19.713 1.278 7.692 1.00 0.00 N ATOM 0 H LYS A 49 -17.819 -1.784 3.534 1.00 0.00 H new ATOM 0 HA LYS A 49 -18.840 -0.903 0.961 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -19.619 0.996 2.407 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -20.103 -0.560 3.050 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -18.016 -0.474 4.521 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -17.810 1.186 3.998 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -19.928 1.838 4.981 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -20.350 0.170 5.316 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -18.302 0.002 6.788 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -18.016 1.711 6.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -19.177 1.326 8.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -20.166 2.197 7.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -20.443 0.541 7.767 1.00 0.00 H new ATOM 611 N ILE A 50 -16.025 -0.233 1.131 1.00 0.00 N ATOM 612 CA ILE A 50 -14.836 0.542 0.806 1.00 0.00 C ATOM 613 C ILE A 50 -15.028 1.387 -0.461 1.00 0.00 C ATOM 614 O ILE A 50 -15.731 0.987 -1.391 1.00 0.00 O ATOM 615 CB ILE A 50 -13.589 -0.376 0.656 1.00 0.00 C ATOM 616 CG1 ILE A 50 -12.320 0.457 0.444 1.00 0.00 C ATOM 617 CG2 ILE A 50 -13.775 -1.371 -0.485 1.00 0.00 C ATOM 618 CD1 ILE A 50 -11.958 1.337 1.627 1.00 0.00 C ATOM 0 H ILE A 50 -15.893 -1.243 1.072 1.00 0.00 H new ATOM 0 HA ILE A 50 -14.669 1.224 1.639 1.00 0.00 H new ATOM 0 HB ILE A 50 -13.477 -0.940 1.582 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -11.487 -0.214 0.235 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -12.452 1.085 -0.437 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -12.889 -2.000 -0.567 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -14.646 -1.995 -0.285 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -13.924 -0.830 -1.419 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -11.049 1.895 1.401 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -12.772 2.034 1.825 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -11.792 0.714 2.506 1.00 0.00 H new ATOM 630 N GLU A 51 -14.408 2.560 -0.468 1.00 0.00 N ATOM 631 CA GLU A 51 -14.468 3.470 -1.594 1.00 0.00 C ATOM 632 C GLU A 51 -13.617 2.948 -2.744 1.00 0.00 C ATOM 633 O GLU A 51 -12.397 3.122 -2.755 1.00 0.00 O ATOM 634 CB GLU A 51 -13.974 4.856 -1.171 1.00 0.00 C ATOM 635 CG GLU A 51 -14.791 5.491 -0.057 1.00 0.00 C ATOM 636 CD GLU A 51 -16.151 5.955 -0.524 1.00 0.00 C ATOM 637 OE1 GLU A 51 -17.068 5.117 -0.645 1.00 0.00 O ATOM 638 OE2 GLU A 51 -16.310 7.164 -0.775 1.00 0.00 O ATOM 0 H GLU A 51 -13.848 2.904 0.312 1.00 0.00 H new ATOM 0 HA GLU A 51 -15.503 3.543 -1.928 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -12.936 4.777 -0.847 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.988 5.516 -2.039 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -14.915 4.772 0.752 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.243 6.340 0.352 1.00 0.00 H new ATOM 645 N GLN A 52 -14.256 2.291 -3.689 1.00 0.00 N ATOM 646 CA GLN A 52 -13.563 1.744 -4.842 1.00 0.00 C ATOM 647 C GLN A 52 -13.220 2.856 -5.839 1.00 0.00 C ATOM 648 O GLN A 52 -13.885 3.024 -6.865 1.00 0.00 O ATOM 649 CB GLN A 52 -14.421 0.670 -5.513 1.00 0.00 C ATOM 650 CG GLN A 52 -14.820 -0.470 -4.589 1.00 0.00 C ATOM 651 CD GLN A 52 -15.756 -1.457 -5.259 1.00 0.00 C ATOM 652 OE1 GLN A 52 -15.707 -1.654 -6.471 1.00 0.00 O ATOM 653 NE2 GLN A 52 -16.624 -2.071 -4.481 1.00 0.00 N ATOM 0 H GLN A 52 -15.262 2.121 -3.683 1.00 0.00 H new ATOM 0 HA GLN A 52 -12.633 1.287 -4.505 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -15.323 1.136 -5.909 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -13.874 0.261 -6.363 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -13.924 -0.993 -4.254 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -15.302 -0.062 -3.701 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -16.634 -1.881 -3.479 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -17.286 -2.736 -4.881 1.00 0.00 H new ATOM 662 N SER A 53 -12.202 3.628 -5.512 1.00 0.00 N ATOM 663 CA SER A 53 -11.776 4.743 -6.338 1.00 0.00 C ATOM 664 C SER A 53 -10.250 4.835 -6.361 1.00 0.00 C ATOM 665 O SER A 53 -9.594 4.462 -5.387 1.00 0.00 O ATOM 666 CB SER A 53 -12.358 6.051 -5.788 1.00 0.00 C ATOM 667 OG SER A 53 -13.770 5.975 -5.643 1.00 0.00 O ATOM 0 H SER A 53 -11.646 3.501 -4.666 1.00 0.00 H new ATOM 0 HA SER A 53 -12.138 4.582 -7.354 1.00 0.00 H new ATOM 0 HB2 SER A 53 -11.904 6.274 -4.823 1.00 0.00 H new ATOM 0 HB3 SER A 53 -12.104 6.873 -6.457 1.00 0.00 H new ATOM 0 HG SER A 53 -14.109 6.824 -5.289 1.00 0.00 H new ATOM 673 N PRO A 54 -9.660 5.344 -7.468 1.00 0.00 N ATOM 674 CA PRO A 54 -8.201 5.523 -7.581 1.00 0.00 C ATOM 675 C PRO A 54 -7.675 6.496 -6.524 1.00 0.00 C ATOM 676 O PRO A 54 -6.493 6.483 -6.173 1.00 0.00 O ATOM 677 CB PRO A 54 -8.015 6.116 -8.989 1.00 0.00 C ATOM 678 CG PRO A 54 -9.263 5.756 -9.720 1.00 0.00 C ATOM 679 CD PRO A 54 -10.357 5.764 -8.697 1.00 0.00 C ATOM 0 HA PRO A 54 -7.657 4.591 -7.428 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -7.878 7.197 -8.948 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.135 5.701 -9.480 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.469 6.471 -10.517 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.173 4.775 -10.187 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -10.804 6.753 -8.591 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.162 5.077 -8.960 1.00 0.00 H new ATOM 687 N GLU A 55 -8.579 7.324 -6.014 1.00 0.00 N ATOM 688 CA GLU A 55 -8.260 8.292 -4.976 1.00 0.00 C ATOM 689 C GLU A 55 -7.844 7.569 -3.697 1.00 0.00 C ATOM 690 O GLU A 55 -7.021 8.065 -2.923 1.00 0.00 O ATOM 691 CB GLU A 55 -9.475 9.172 -4.697 1.00 0.00 C ATOM 692 CG GLU A 55 -10.082 9.791 -5.944 1.00 0.00 C ATOM 693 CD GLU A 55 -11.323 10.593 -5.641 1.00 0.00 C ATOM 694 OE1 GLU A 55 -12.367 9.983 -5.338 1.00 0.00 O ATOM 695 OE2 GLU A 55 -11.261 11.835 -5.696 1.00 0.00 O ATOM 0 H GLU A 55 -9.555 7.342 -6.310 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.434 8.917 -5.317 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.235 8.576 -4.191 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.186 9.968 -4.011 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.344 10.435 -6.423 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.327 9.003 -6.656 1.00 0.00 H new ATOM 702 N LEU A 56 -8.414 6.384 -3.491 1.00 0.00 N ATOM 703 CA LEU A 56 -8.103 5.572 -2.328 1.00 0.00 C ATOM 704 C LEU A 56 -6.677 5.065 -2.413 1.00 0.00 C ATOM 705 O LEU A 56 -5.990 4.961 -1.409 1.00 0.00 O ATOM 706 CB LEU A 56 -9.067 4.387 -2.226 1.00 0.00 C ATOM 707 CG LEU A 56 -8.823 3.429 -1.054 1.00 0.00 C ATOM 708 CD1 LEU A 56 -9.159 4.096 0.271 1.00 0.00 C ATOM 709 CD2 LEU A 56 -9.618 2.148 -1.235 1.00 0.00 C ATOM 0 H LEU A 56 -9.098 5.967 -4.122 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.212 6.191 -1.437 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.083 4.775 -2.149 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.013 3.818 -3.154 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.764 3.171 -1.039 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.978 3.396 1.087 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.533 4.978 0.403 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -10.208 4.392 0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.431 1.482 -0.393 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.681 2.383 -1.282 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.313 1.658 -2.160 1.00 0.00 H new ATOM 721 N SER A 57 -6.237 4.771 -3.631 1.00 0.00 N ATOM 722 CA SER A 57 -4.891 4.280 -3.858 1.00 0.00 C ATOM 723 C SER A 57 -3.870 5.348 -3.464 1.00 0.00 C ATOM 724 O SER A 57 -2.963 5.094 -2.673 1.00 0.00 O ATOM 725 CB SER A 57 -4.727 3.896 -5.323 1.00 0.00 C ATOM 726 OG SER A 57 -5.796 3.058 -5.741 1.00 0.00 O ATOM 0 H SER A 57 -6.799 4.866 -4.477 1.00 0.00 H new ATOM 0 HA SER A 57 -4.719 3.397 -3.242 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.699 4.794 -5.940 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.777 3.382 -5.466 1.00 0.00 H new ATOM 0 HG SER A 57 -5.767 2.952 -6.715 1.00 0.00 H new ATOM 732 N ALA A 58 -4.032 6.538 -4.033 1.00 0.00 N ATOM 733 CA ALA A 58 -3.188 7.686 -3.702 1.00 0.00 C ATOM 734 C ALA A 58 -3.110 7.898 -2.185 1.00 0.00 C ATOM 735 O ALA A 58 -2.036 8.144 -1.634 1.00 0.00 O ATOM 736 CB ALA A 58 -3.723 8.937 -4.381 1.00 0.00 C ATOM 0 H ALA A 58 -4.747 6.736 -4.733 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.180 7.484 -4.065 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.089 9.787 -4.129 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.724 8.792 -5.461 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.740 9.130 -4.040 1.00 0.00 H new ATOM 742 N LYS A 59 -4.252 7.797 -1.530 1.00 0.00 N ATOM 743 CA LYS A 59 -4.344 7.966 -0.085 1.00 0.00 C ATOM 744 C LYS A 59 -3.653 6.807 0.665 1.00 0.00 C ATOM 745 O LYS A 59 -2.795 7.035 1.527 1.00 0.00 O ATOM 746 CB LYS A 59 -5.825 8.058 0.308 1.00 0.00 C ATOM 747 CG LYS A 59 -6.090 8.320 1.782 1.00 0.00 C ATOM 748 CD LYS A 59 -7.584 8.483 2.038 1.00 0.00 C ATOM 749 CE LYS A 59 -7.883 8.769 3.498 1.00 0.00 C ATOM 750 NZ LYS A 59 -9.332 9.014 3.729 1.00 0.00 N ATOM 0 H LYS A 59 -5.144 7.596 -1.982 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.828 8.883 0.199 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.290 8.853 -0.275 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.317 7.127 0.027 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.701 7.495 2.379 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.561 9.219 2.098 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.971 9.296 1.423 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -8.105 7.576 1.732 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.555 7.927 4.108 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.311 9.639 3.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.495 9.205 4.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.639 9.833 3.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.876 8.175 3.444 1.00 0.00 H new ATOM 764 N VAL A 60 -4.041 5.579 0.326 1.00 0.00 N ATOM 765 CA VAL A 60 -3.507 4.373 0.976 1.00 0.00 C ATOM 766 C VAL A 60 -1.981 4.223 0.815 1.00 0.00 C ATOM 767 O VAL A 60 -1.352 3.540 1.599 1.00 0.00 O ATOM 768 CB VAL A 60 -4.224 3.074 0.492 1.00 0.00 C ATOM 769 CG1 VAL A 60 -3.717 2.629 -0.869 1.00 0.00 C ATOM 770 CG2 VAL A 60 -4.078 1.956 1.518 1.00 0.00 C ATOM 0 H VAL A 60 -4.730 5.387 -0.402 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.714 4.509 2.038 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.284 3.305 0.388 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.239 1.722 -1.173 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.901 3.416 -1.601 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.647 2.430 -0.811 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.586 1.062 1.157 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.021 1.736 1.669 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.522 2.269 2.463 1.00 0.00 H new ATOM 780 N VAL A 61 -1.390 4.883 -0.182 1.00 0.00 N ATOM 781 CA VAL A 61 0.062 4.789 -0.371 1.00 0.00 C ATOM 782 C VAL A 61 0.755 6.012 0.234 1.00 0.00 C ATOM 783 O VAL A 61 1.913 5.939 0.657 1.00 0.00 O ATOM 784 CB VAL A 61 0.479 4.606 -1.865 1.00 0.00 C ATOM 785 CG1 VAL A 61 0.212 5.864 -2.682 1.00 0.00 C ATOM 786 CG2 VAL A 61 1.955 4.184 -1.972 1.00 0.00 C ATOM 0 H VAL A 61 -1.877 5.474 -0.856 1.00 0.00 H new ATOM 0 HA VAL A 61 0.387 3.889 0.151 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.137 3.810 -2.283 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.515 5.698 -3.716 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.852 6.100 -2.649 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.781 6.695 -2.266 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.223 4.062 -3.021 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.586 4.951 -1.522 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.102 3.240 -1.448 1.00 0.00 H new ATOM 796 N GLU A 62 0.025 7.125 0.288 1.00 0.00 N ATOM 797 CA GLU A 62 0.522 8.372 0.869 1.00 0.00 C ATOM 798 C GLU A 62 0.854 8.176 2.340 1.00 0.00 C ATOM 799 O GLU A 62 1.975 8.430 2.785 1.00 0.00 O ATOM 800 CB GLU A 62 -0.537 9.461 0.740 1.00 0.00 C ATOM 801 CG GLU A 62 -0.159 10.773 1.402 1.00 0.00 C ATOM 802 CD GLU A 62 -1.361 11.647 1.645 1.00 0.00 C ATOM 803 OE1 GLU A 62 -1.862 12.253 0.688 1.00 0.00 O ATOM 804 OE2 GLU A 62 -1.828 11.716 2.798 1.00 0.00 O ATOM 0 H GLU A 62 -0.928 7.188 -0.070 1.00 0.00 H new ATOM 0 HA GLU A 62 1.424 8.667 0.333 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.730 9.642 -0.317 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.468 9.101 1.177 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.340 10.571 2.350 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.555 11.305 0.773 1.00 0.00 H new ATOM 811 N LYS A 63 -0.130 7.720 3.087 1.00 0.00 N ATOM 812 CA LYS A 63 0.045 7.495 4.502 1.00 0.00 C ATOM 813 C LYS A 63 0.897 6.263 4.732 1.00 0.00 C ATOM 814 O LYS A 63 1.600 6.162 5.729 1.00 0.00 O ATOM 815 CB LYS A 63 -1.311 7.345 5.185 1.00 0.00 C ATOM 816 CG LYS A 63 -2.219 8.547 4.985 1.00 0.00 C ATOM 817 CD LYS A 63 -3.542 8.373 5.703 1.00 0.00 C ATOM 818 CE LYS A 63 -4.468 9.551 5.447 1.00 0.00 C ATOM 819 NZ LYS A 63 -3.884 10.836 5.910 1.00 0.00 N ATOM 0 H LYS A 63 -1.061 7.498 2.734 1.00 0.00 H new ATOM 0 HA LYS A 63 0.555 8.355 4.936 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.808 6.455 4.800 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.157 7.188 6.253 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.721 9.445 5.351 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.399 8.694 3.920 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.021 7.452 5.370 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.366 8.272 6.774 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.684 9.616 4.381 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.417 9.382 5.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.614 11.577 5.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.530 10.726 6.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.099 11.106 5.284 1.00 0.00 H new ATOM 833 N LEU A 64 0.847 5.343 3.778 1.00 0.00 N ATOM 834 CA LEU A 64 1.605 4.108 3.850 1.00 0.00 C ATOM 835 C LEU A 64 3.094 4.389 3.944 1.00 0.00 C ATOM 836 O LEU A 64 3.733 4.029 4.922 1.00 0.00 O ATOM 837 CB LEU A 64 1.316 3.257 2.623 1.00 0.00 C ATOM 838 CG LEU A 64 1.936 1.873 2.599 1.00 0.00 C ATOM 839 CD1 LEU A 64 1.312 1.006 3.666 1.00 0.00 C ATOM 840 CD2 LEU A 64 1.763 1.243 1.227 1.00 0.00 C ATOM 0 H LEU A 64 0.280 5.435 2.935 1.00 0.00 H new ATOM 0 HA LEU A 64 1.302 3.569 4.748 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.235 3.149 2.530 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.659 3.800 1.742 1.00 0.00 H new ATOM 0 HG LEU A 64 3.003 1.960 2.805 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.764 0.015 3.640 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.480 1.456 4.645 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.241 0.921 3.485 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.212 0.250 1.223 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.701 1.162 0.995 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.251 1.865 0.477 1.00 0.00 H new ATOM 852 N ASN A 65 3.644 5.053 2.923 1.00 0.00 N ATOM 853 CA ASN A 65 5.073 5.352 2.897 1.00 0.00 C ATOM 854 C ASN A 65 5.479 6.196 4.095 1.00 0.00 C ATOM 855 O ASN A 65 6.605 6.113 4.556 1.00 0.00 O ATOM 856 CB ASN A 65 5.509 6.026 1.575 1.00 0.00 C ATOM 857 CG ASN A 65 5.095 7.487 1.449 1.00 0.00 C ATOM 858 OD1 ASN A 65 5.812 8.386 1.879 1.00 0.00 O ATOM 859 ND2 ASN A 65 3.956 7.733 0.839 1.00 0.00 N ATOM 0 H ASN A 65 3.125 5.390 2.112 1.00 0.00 H new ATOM 0 HA ASN A 65 5.595 4.397 2.957 1.00 0.00 H new ATOM 0 HB2 ASN A 65 6.593 5.959 1.487 1.00 0.00 H new ATOM 0 HB3 ASN A 65 5.087 5.468 0.740 1.00 0.00 H new ATOM 0 HD21 ASN A 65 3.644 8.695 0.711 1.00 0.00 H new ATOM 0 HD22 ASN A 65 3.385 6.961 0.494 1.00 0.00 H new ATOM 866 N GLN A 66 4.544 6.992 4.607 1.00 0.00 N ATOM 867 CA GLN A 66 4.802 7.799 5.790 1.00 0.00 C ATOM 868 C GLN A 66 4.990 6.892 7.005 1.00 0.00 C ATOM 869 O GLN A 66 5.956 7.026 7.754 1.00 0.00 O ATOM 870 CB GLN A 66 3.648 8.775 6.035 1.00 0.00 C ATOM 871 CG GLN A 66 4.078 10.234 6.086 1.00 0.00 C ATOM 872 CD GLN A 66 4.636 10.735 4.763 1.00 0.00 C ATOM 873 OE1 GLN A 66 5.523 11.587 4.736 1.00 0.00 O ATOM 874 NE2 GLN A 66 4.102 10.234 3.662 1.00 0.00 N ATOM 0 H GLN A 66 3.605 7.093 4.221 1.00 0.00 H new ATOM 0 HA GLN A 66 5.713 8.375 5.630 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.906 8.652 5.246 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.159 8.517 6.975 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.224 10.849 6.370 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.833 10.358 6.863 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.368 9.529 3.726 1.00 0.00 H new ATOM 0 HE22 GLN A 66 4.424 10.553 2.748 1.00 0.00 H new ATOM 883 N VAL A 67 4.051 5.974 7.191 1.00 0.00 N ATOM 884 CA VAL A 67 4.123 4.996 8.274 1.00 0.00 C ATOM 885 C VAL A 67 5.374 4.123 8.132 1.00 0.00 C ATOM 886 O VAL A 67 6.105 3.899 9.099 1.00 0.00 O ATOM 887 CB VAL A 67 2.859 4.092 8.303 1.00 0.00 C ATOM 888 CG1 VAL A 67 2.965 3.031 9.387 1.00 0.00 C ATOM 889 CG2 VAL A 67 1.606 4.929 8.510 1.00 0.00 C ATOM 0 H VAL A 67 3.223 5.884 6.602 1.00 0.00 H new ATOM 0 HA VAL A 67 4.176 5.550 9.211 1.00 0.00 H new ATOM 0 HB VAL A 67 2.790 3.588 7.339 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.066 2.415 9.382 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.836 2.404 9.198 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.069 3.513 10.359 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.732 4.278 8.527 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.678 5.464 9.457 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.508 5.646 7.694 1.00 0.00 H new ATOM 899 N CYS A 68 5.627 3.656 6.918 1.00 0.00 N ATOM 900 CA CYS A 68 6.783 2.807 6.630 1.00 0.00 C ATOM 901 C CYS A 68 8.094 3.589 6.700 1.00 0.00 C ATOM 902 O CYS A 68 9.173 3.006 6.694 1.00 0.00 O ATOM 903 CB CYS A 68 6.617 2.173 5.262 1.00 0.00 C ATOM 904 SG CYS A 68 5.013 1.348 5.049 1.00 0.00 S ATOM 0 H CYS A 68 5.042 3.851 6.106 1.00 0.00 H new ATOM 0 HA CYS A 68 6.831 2.028 7.391 1.00 0.00 H new ATOM 0 HB2 CYS A 68 6.728 2.941 4.496 1.00 0.00 H new ATOM 0 HB3 CYS A 68 7.416 1.448 5.105 1.00 0.00 H new ATOM 909 N ALA A 69 7.992 4.905 6.776 1.00 0.00 N ATOM 910 CA ALA A 69 9.172 5.748 6.917 1.00 0.00 C ATOM 911 C ALA A 69 9.548 5.823 8.385 1.00 0.00 C ATOM 912 O ALA A 69 10.688 6.128 8.742 1.00 0.00 O ATOM 913 CB ALA A 69 8.916 7.142 6.360 1.00 0.00 C ATOM 0 H ALA A 69 7.108 5.414 6.743 1.00 0.00 H new ATOM 0 HA ALA A 69 9.994 5.313 6.348 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.812 7.751 6.478 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.662 7.070 5.302 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.090 7.604 6.901 1.00 0.00 H new ATOM 919 N LYS A 70 8.570 5.536 9.232 1.00 0.00 N ATOM 920 CA LYS A 70 8.763 5.525 10.666 1.00 0.00 C ATOM 921 C LYS A 70 9.238 4.152 11.112 1.00 0.00 C ATOM 922 O LYS A 70 9.867 4.008 12.160 1.00 0.00 O ATOM 923 CB LYS A 70 7.461 5.898 11.379 1.00 0.00 C ATOM 924 CG LYS A 70 6.896 7.239 10.941 1.00 0.00 C ATOM 925 CD LYS A 70 5.562 7.536 11.602 1.00 0.00 C ATOM 926 CE LYS A 70 4.968 8.829 11.067 1.00 0.00 C ATOM 927 NZ LYS A 70 3.676 9.169 11.716 1.00 0.00 N ATOM 0 H LYS A 70 7.621 5.305 8.939 1.00 0.00 H new ATOM 0 HA LYS A 70 9.522 6.262 10.928 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.719 5.121 11.194 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.638 5.920 12.454 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.606 8.029 11.186 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.773 7.245 9.858 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.871 6.712 11.423 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.695 7.611 12.681 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.676 9.643 11.224 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.819 8.739 9.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.311 10.058 11.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.990 8.406 11.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.821 9.282 12.740 1.00 0.00 H new ATOM 941 N ASP A 71 8.948 3.144 10.301 1.00 0.00 N ATOM 942 CA ASP A 71 9.367 1.779 10.586 1.00 0.00 C ATOM 943 C ASP A 71 9.518 0.997 9.287 1.00 0.00 C ATOM 944 O ASP A 71 8.537 0.506 8.729 1.00 0.00 O ATOM 945 CB ASP A 71 8.374 1.072 11.511 1.00 0.00 C ATOM 946 CG ASP A 71 8.806 -0.341 11.844 1.00 0.00 C ATOM 947 OD1 ASP A 71 9.983 -0.537 12.205 1.00 0.00 O ATOM 948 OD2 ASP A 71 7.969 -1.257 11.768 1.00 0.00 O ATOM 0 H ASP A 71 8.420 3.248 9.434 1.00 0.00 H new ATOM 0 HA ASP A 71 10.329 1.822 11.096 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.268 1.644 12.433 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.393 1.048 11.037 1.00 0.00 H new ATOM 953 N PRO A 72 10.751 0.895 8.775 1.00 0.00 N ATOM 954 CA PRO A 72 11.037 0.189 7.520 1.00 0.00 C ATOM 955 C PRO A 72 10.844 -1.322 7.636 1.00 0.00 C ATOM 956 O PRO A 72 10.799 -2.030 6.626 1.00 0.00 O ATOM 957 CB PRO A 72 12.517 0.515 7.245 1.00 0.00 C ATOM 958 CG PRO A 72 12.843 1.652 8.157 1.00 0.00 C ATOM 959 CD PRO A 72 11.965 1.477 9.356 1.00 0.00 C ATOM 0 HA PRO A 72 10.361 0.502 6.725 1.00 0.00 H new ATOM 0 HB2 PRO A 72 13.154 -0.346 7.446 1.00 0.00 H new ATOM 0 HB3 PRO A 72 12.673 0.790 6.202 1.00 0.00 H new ATOM 0 HG2 PRO A 72 13.896 1.638 8.438 1.00 0.00 H new ATOM 0 HG3 PRO A 72 12.655 2.609 7.671 1.00 0.00 H new ATOM 0 HD2 PRO A 72 12.417 0.818 10.098 1.00 0.00 H new ATOM 0 HD3 PRO A 72 11.763 2.426 9.853 1.00 0.00 H new ATOM 967 N GLN A 73 10.735 -1.818 8.868 1.00 0.00 N ATOM 968 CA GLN A 73 10.547 -3.246 9.114 1.00 0.00 C ATOM 969 C GLN A 73 9.186 -3.722 8.628 1.00 0.00 C ATOM 970 O GLN A 73 8.967 -4.924 8.439 1.00 0.00 O ATOM 971 CB GLN A 73 10.699 -3.549 10.603 1.00 0.00 C ATOM 972 CG GLN A 73 12.000 -3.049 11.194 1.00 0.00 C ATOM 973 CD GLN A 73 13.215 -3.610 10.488 1.00 0.00 C ATOM 974 OE1 GLN A 73 13.198 -4.734 9.981 1.00 0.00 O ATOM 975 NE2 GLN A 73 14.264 -2.827 10.433 1.00 0.00 N ATOM 0 H GLN A 73 10.774 -1.249 9.714 1.00 0.00 H new ATOM 0 HA GLN A 73 11.313 -3.782 8.554 1.00 0.00 H new ATOM 0 HB2 GLN A 73 9.867 -3.098 11.144 1.00 0.00 H new ATOM 0 HB3 GLN A 73 10.631 -4.626 10.755 1.00 0.00 H new ATOM 0 HG2 GLN A 73 12.024 -1.961 11.141 1.00 0.00 H new ATOM 0 HG3 GLN A 73 12.042 -3.317 12.250 1.00 0.00 H new ATOM 0 HE21 GLN A 73 14.235 -1.904 10.866 1.00 0.00 H new ATOM 0 HE22 GLN A 73 15.110 -3.140 9.957 1.00 0.00 H new ATOM 984 N MET A 74 8.281 -2.786 8.417 1.00 0.00 N ATOM 985 CA MET A 74 6.948 -3.115 7.950 1.00 0.00 C ATOM 986 C MET A 74 6.964 -3.433 6.464 1.00 0.00 C ATOM 987 O MET A 74 7.216 -2.560 5.635 1.00 0.00 O ATOM 988 CB MET A 74 5.962 -1.972 8.229 1.00 0.00 C ATOM 989 CG MET A 74 5.614 -1.796 9.697 1.00 0.00 C ATOM 990 SD MET A 74 4.386 -0.501 9.975 1.00 0.00 S ATOM 991 CE MET A 74 4.114 -0.669 11.739 1.00 0.00 C ATOM 0 H MET A 74 8.445 -1.790 8.562 1.00 0.00 H new ATOM 0 HA MET A 74 6.616 -3.997 8.498 1.00 0.00 H new ATOM 0 HB2 MET A 74 6.386 -1.041 7.853 1.00 0.00 H new ATOM 0 HB3 MET A 74 5.045 -2.153 7.669 1.00 0.00 H new ATOM 0 HG2 MET A 74 5.236 -2.739 10.092 1.00 0.00 H new ATOM 0 HG3 MET A 74 6.520 -1.557 10.254 1.00 0.00 H new ATOM 0 HE1 MET A 74 3.377 0.065 12.065 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.747 -1.672 11.957 1.00 0.00 H new ATOM 0 HE3 MET A 74 5.052 -0.502 12.269 1.00 0.00 H new ATOM 1001 N LEU A 75 6.731 -4.694 6.133 1.00 0.00 N ATOM 1002 CA LEU A 75 6.659 -5.121 4.743 1.00 0.00 C ATOM 1003 C LEU A 75 5.433 -4.511 4.083 1.00 0.00 C ATOM 1004 O LEU A 75 4.460 -4.188 4.766 1.00 0.00 O ATOM 1005 CB LEU A 75 6.595 -6.648 4.651 1.00 0.00 C ATOM 1006 CG LEU A 75 7.783 -7.406 5.247 1.00 0.00 C ATOM 1007 CD1 LEU A 75 7.561 -8.905 5.142 1.00 0.00 C ATOM 1008 CD2 LEU A 75 9.081 -7.009 4.551 1.00 0.00 C ATOM 0 H LEU A 75 6.588 -5.443 6.811 1.00 0.00 H new ATOM 0 HA LEU A 75 7.556 -4.781 4.226 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.687 -6.985 5.151 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.502 -6.925 3.601 1.00 0.00 H new ATOM 0 HG LEU A 75 7.866 -7.140 6.301 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.415 -9.430 5.570 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.657 -9.178 5.686 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.452 -9.184 4.094 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.913 -7.560 4.990 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.011 -7.244 3.489 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.248 -5.939 4.676 1.00 0.00 H new ATOM 1020 N LEU A 76 5.478 -4.366 2.761 1.00 0.00 N ATOM 1021 CA LEU A 76 4.386 -3.749 2.004 1.00 0.00 C ATOM 1022 C LEU A 76 3.034 -4.377 2.348 1.00 0.00 C ATOM 1023 O LEU A 76 2.089 -3.672 2.689 1.00 0.00 O ATOM 1024 CB LEU A 76 4.659 -3.864 0.501 1.00 0.00 C ATOM 1025 CG LEU A 76 3.667 -3.160 -0.427 1.00 0.00 C ATOM 1026 CD1 LEU A 76 3.616 -1.671 -0.131 1.00 0.00 C ATOM 1027 CD2 LEU A 76 4.048 -3.396 -1.876 1.00 0.00 C ATOM 0 H LEU A 76 6.264 -4.669 2.186 1.00 0.00 H new ATOM 0 HA LEU A 76 4.340 -2.696 2.282 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.654 -3.465 0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.681 -4.922 0.238 1.00 0.00 H new ATOM 0 HG LEU A 76 2.676 -3.577 -0.251 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.904 -1.191 -0.803 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.302 -1.516 0.901 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.605 -1.237 -0.279 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.335 -2.890 -2.527 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.048 -3.002 -2.058 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.035 -4.466 -2.086 1.00 0.00 H new ATOM 1039 N ILE A 77 2.964 -5.702 2.277 1.00 0.00 N ATOM 1040 CA ILE A 77 1.729 -6.434 2.571 1.00 0.00 C ATOM 1041 C ILE A 77 1.192 -6.092 3.968 1.00 0.00 C ATOM 1042 O ILE A 77 0.021 -5.736 4.126 1.00 0.00 O ATOM 1043 CB ILE A 77 1.944 -7.968 2.469 1.00 0.00 C ATOM 1044 CG1 ILE A 77 2.441 -8.357 1.066 1.00 0.00 C ATOM 1045 CG2 ILE A 77 0.661 -8.724 2.812 1.00 0.00 C ATOM 1046 CD1 ILE A 77 1.488 -7.986 -0.056 1.00 0.00 C ATOM 0 H ILE A 77 3.751 -6.297 2.017 1.00 0.00 H new ATOM 0 HA ILE A 77 0.997 -6.126 1.825 1.00 0.00 H new ATOM 0 HB ILE A 77 2.708 -8.249 3.194 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.402 -7.874 0.886 1.00 0.00 H new ATOM 0 HG13 ILE A 77 2.615 -9.433 1.039 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.838 -9.797 2.733 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.356 -8.481 3.830 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.128 -8.435 2.118 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.913 -8.295 -1.011 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.533 -8.490 0.096 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.333 -6.907 -0.060 1.00 0.00 H new ATOM 1058 N THR A 78 2.057 -6.188 4.967 1.00 0.00 N ATOM 1059 CA THR A 78 1.674 -5.918 6.343 1.00 0.00 C ATOM 1060 C THR A 78 1.276 -4.449 6.535 1.00 0.00 C ATOM 1061 O THR A 78 0.241 -4.150 7.128 1.00 0.00 O ATOM 1062 CB THR A 78 2.825 -6.272 7.300 1.00 0.00 C ATOM 1063 OG1 THR A 78 3.249 -7.620 7.049 1.00 0.00 O ATOM 1064 CG2 THR A 78 2.389 -6.137 8.752 1.00 0.00 C ATOM 0 H THR A 78 3.035 -6.453 4.848 1.00 0.00 H new ATOM 0 HA THR A 78 0.809 -6.541 6.572 1.00 0.00 H new ATOM 0 HB THR A 78 3.649 -5.580 7.125 1.00 0.00 H new ATOM 0 HG1 THR A 78 3.984 -7.850 7.655 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.222 -6.393 9.407 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.078 -5.110 8.945 1.00 0.00 H new ATOM 0 HG23 THR A 78 1.554 -6.811 8.945 1.00 0.00 H new ATOM 1072 N ALA A 79 2.112 -3.549 6.051 1.00 0.00 N ATOM 1073 CA ALA A 79 1.840 -2.123 6.138 1.00 0.00 C ATOM 1074 C ALA A 79 0.491 -1.754 5.509 1.00 0.00 C ATOM 1075 O ALA A 79 -0.273 -0.974 6.089 1.00 0.00 O ATOM 1076 CB ALA A 79 2.956 -1.345 5.502 1.00 0.00 C ATOM 0 H ALA A 79 2.992 -3.781 5.590 1.00 0.00 H new ATOM 0 HA ALA A 79 1.780 -1.861 7.194 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.742 -0.278 5.573 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.891 -1.563 6.018 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.046 -1.628 4.453 1.00 0.00 H new ATOM 1082 N ILE A 80 0.198 -2.306 4.322 1.00 0.00 N ATOM 1083 CA ILE A 80 -1.090 -2.057 3.678 1.00 0.00 C ATOM 1084 C ILE A 80 -2.215 -2.552 4.582 1.00 0.00 C ATOM 1085 O ILE A 80 -3.242 -1.899 4.733 1.00 0.00 O ATOM 1086 CB ILE A 80 -1.200 -2.733 2.272 1.00 0.00 C ATOM 1087 CG1 ILE A 80 -0.177 -2.126 1.301 1.00 0.00 C ATOM 1088 CG2 ILE A 80 -2.612 -2.589 1.706 1.00 0.00 C ATOM 1089 CD1 ILE A 80 -0.230 -2.717 -0.100 1.00 0.00 C ATOM 0 H ILE A 80 0.826 -2.917 3.800 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.175 -0.982 3.522 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.984 -3.795 2.392 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.345 -1.051 1.238 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.824 -2.269 1.707 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.662 -3.067 0.728 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.324 -3.065 2.380 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.858 -1.532 1.606 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.522 -2.237 -0.726 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.032 -3.788 -0.051 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.219 -2.550 -0.528 1.00 0.00 H new ATOM 1101 N ASP A 81 -1.986 -3.692 5.218 1.00 0.00 N ATOM 1102 CA ASP A 81 -2.955 -4.262 6.144 1.00 0.00 C ATOM 1103 C ASP A 81 -3.235 -3.299 7.290 1.00 0.00 C ATOM 1104 O ASP A 81 -4.386 -2.989 7.582 1.00 0.00 O ATOM 1105 CB ASP A 81 -2.452 -5.597 6.700 1.00 0.00 C ATOM 1106 CG ASP A 81 -3.433 -6.233 7.666 1.00 0.00 C ATOM 1107 OD1 ASP A 81 -4.453 -6.786 7.204 1.00 0.00 O ATOM 1108 OD2 ASP A 81 -3.183 -6.201 8.887 1.00 0.00 O ATOM 0 H ASP A 81 -1.134 -4.243 5.109 1.00 0.00 H new ATOM 0 HA ASP A 81 -3.881 -4.436 5.595 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.265 -6.283 5.874 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.499 -5.440 7.206 1.00 0.00 H new ATOM 1113 N ASP A 82 -2.169 -2.802 7.907 1.00 0.00 N ATOM 1114 CA ASP A 82 -2.285 -1.908 9.063 1.00 0.00 C ATOM 1115 C ASP A 82 -2.985 -0.594 8.717 1.00 0.00 C ATOM 1116 O ASP A 82 -3.817 -0.106 9.492 1.00 0.00 O ATOM 1117 CB ASP A 82 -0.912 -1.618 9.671 1.00 0.00 C ATOM 1118 CG ASP A 82 -1.015 -0.843 10.970 1.00 0.00 C ATOM 1119 OD1 ASP A 82 -1.083 0.404 10.928 1.00 0.00 O ATOM 1120 OD2 ASP A 82 -1.042 -1.480 12.042 1.00 0.00 O ATOM 0 H ASP A 82 -1.209 -3.002 7.628 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.901 -2.430 9.796 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.390 -2.558 9.851 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.313 -1.052 8.958 1.00 0.00 H new ATOM 1125 N THR A 83 -2.680 -0.035 7.553 1.00 0.00 N ATOM 1126 CA THR A 83 -3.270 1.224 7.149 1.00 0.00 C ATOM 1127 C THR A 83 -4.749 1.043 6.830 1.00 0.00 C ATOM 1128 O THR A 83 -5.575 1.907 7.139 1.00 0.00 O ATOM 1129 CB THR A 83 -2.530 1.830 5.940 1.00 0.00 C ATOM 1130 OG1 THR A 83 -2.229 0.801 4.993 1.00 0.00 O ATOM 1131 CG2 THR A 83 -1.242 2.509 6.382 1.00 0.00 C ATOM 0 H THR A 83 -2.029 -0.436 6.878 1.00 0.00 H new ATOM 0 HA THR A 83 -3.173 1.919 7.983 1.00 0.00 H new ATOM 0 HB THR A 83 -3.176 2.576 5.478 1.00 0.00 H new ATOM 0 HG1 THR A 83 -2.845 0.050 5.119 1.00 0.00 H new ATOM 0 HG21 THR A 83 -0.736 2.930 5.513 1.00 0.00 H new ATOM 0 HG22 THR A 83 -1.475 3.306 7.088 1.00 0.00 H new ATOM 0 HG23 THR A 83 -0.592 1.778 6.862 1.00 0.00 H new ATOM 1139 N MET A 84 -5.086 -0.099 6.242 1.00 0.00 N ATOM 1140 CA MET A 84 -6.465 -0.413 5.942 1.00 0.00 C ATOM 1141 C MET A 84 -7.216 -0.758 7.212 1.00 0.00 C ATOM 1142 O MET A 84 -8.421 -0.660 7.261 1.00 0.00 O ATOM 1143 CB MET A 84 -6.568 -1.562 4.974 1.00 0.00 C ATOM 1144 CG MET A 84 -5.959 -1.299 3.613 1.00 0.00 C ATOM 1145 SD MET A 84 -6.160 -2.709 2.524 1.00 0.00 S ATOM 1146 CE MET A 84 -5.900 -4.032 3.698 1.00 0.00 C ATOM 0 H MET A 84 -4.418 -0.819 5.966 1.00 0.00 H new ATOM 0 HA MET A 84 -6.910 0.470 5.482 1.00 0.00 H new ATOM 0 HB2 MET A 84 -6.082 -2.433 5.412 1.00 0.00 H new ATOM 0 HB3 MET A 84 -7.620 -1.816 4.843 1.00 0.00 H new ATOM 0 HG2 MET A 84 -6.428 -0.422 3.166 1.00 0.00 H new ATOM 0 HG3 MET A 84 -4.899 -1.072 3.725 1.00 0.00 H new ATOM 0 HE1 MET A 84 -5.434 -4.879 3.194 1.00 0.00 H new ATOM 0 HE2 MET A 84 -5.249 -3.684 4.500 1.00 0.00 H new ATOM 0 HE3 MET A 84 -6.858 -4.341 4.116 1.00 0.00 H new ATOM 1156 N ARG A 85 -6.493 -1.196 8.234 1.00 0.00 N ATOM 1157 CA ARG A 85 -7.109 -1.454 9.527 1.00 0.00 C ATOM 1158 C ARG A 85 -7.539 -0.136 10.136 1.00 0.00 C ATOM 1159 O ARG A 85 -8.604 -0.029 10.741 1.00 0.00 O ATOM 1160 CB ARG A 85 -6.142 -2.170 10.476 1.00 0.00 C ATOM 1161 CG ARG A 85 -5.844 -3.611 10.103 1.00 0.00 C ATOM 1162 CD ARG A 85 -4.853 -4.233 11.073 1.00 0.00 C ATOM 1163 NE ARG A 85 -5.369 -4.246 12.440 1.00 0.00 N ATOM 1164 CZ ARG A 85 -4.736 -3.730 13.500 1.00 0.00 C ATOM 1165 NH1 ARG A 85 -3.538 -3.156 13.366 1.00 0.00 N ATOM 1166 NH2 ARG A 85 -5.303 -3.786 14.693 1.00 0.00 N ATOM 0 H ARG A 85 -5.490 -1.378 8.194 1.00 0.00 H new ATOM 0 HA ARG A 85 -7.971 -2.104 9.378 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -5.205 -1.615 10.506 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.558 -2.147 11.483 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -6.768 -4.188 10.102 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -5.442 -3.652 9.091 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -4.628 -5.252 10.759 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -3.916 -3.676 11.043 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.278 -4.680 12.598 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -3.096 -3.107 12.448 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -3.065 -2.766 14.181 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -6.219 -4.221 14.802 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -4.824 -3.394 15.504 1.00 0.00 H new ATOM 1180 N ALA A 86 -6.699 0.872 9.953 1.00 0.00 N ATOM 1181 CA ALA A 86 -6.976 2.206 10.444 1.00 0.00 C ATOM 1182 C ALA A 86 -8.183 2.815 9.735 1.00 0.00 C ATOM 1183 O ALA A 86 -9.110 3.303 10.385 1.00 0.00 O ATOM 1184 CB ALA A 86 -5.753 3.097 10.275 1.00 0.00 C ATOM 0 H ALA A 86 -5.810 0.785 9.461 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.213 2.133 11.505 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.976 4.096 10.648 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.918 2.678 10.836 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.488 3.155 9.219 1.00 0.00 H new ATOM 1190 N ILE A 87 -8.187 2.772 8.404 1.00 0.00 N ATOM 1191 CA ILE A 87 -9.286 3.364 7.632 1.00 0.00 C ATOM 1192 C ILE A 87 -10.434 2.373 7.422 1.00 0.00 C ATOM 1193 O ILE A 87 -11.454 2.710 6.813 1.00 0.00 O ATOM 1194 CB ILE A 87 -8.811 3.886 6.256 1.00 0.00 C ATOM 1195 CG1 ILE A 87 -8.218 2.746 5.422 1.00 0.00 C ATOM 1196 CG2 ILE A 87 -7.794 5.009 6.436 1.00 0.00 C ATOM 1197 CD1 ILE A 87 -7.865 3.139 4.003 1.00 0.00 C ATOM 0 H ILE A 87 -7.454 2.341 7.841 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.647 4.205 8.223 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.673 4.285 5.721 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.322 2.375 5.919 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -8.931 1.922 5.393 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.469 5.366 5.459 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -8.252 5.830 6.988 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -6.933 4.635 6.990 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.451 2.277 3.479 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -8.762 3.482 3.487 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.127 3.941 4.020 1.00 0.00 H new ATOM 1209 N GLY A 88 -10.255 1.157 7.929 1.00 0.00 N ATOM 1210 CA GLY A 88 -11.267 0.119 7.807 1.00 0.00 C ATOM 1211 C GLY A 88 -12.560 0.466 8.501 1.00 0.00 C ATOM 1212 O GLY A 88 -13.591 -0.148 8.242 1.00 0.00 O ATOM 0 H GLY A 88 -9.415 0.868 8.430 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -11.466 -0.063 6.751 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -10.877 -0.810 8.222 1.00 0.00 H new ATOM 1216 N LYS A 89 -12.515 1.423 9.401 1.00 0.00 N ATOM 1217 CA LYS A 89 -13.703 1.843 10.093 1.00 0.00 C ATOM 1218 C LYS A 89 -14.052 3.255 9.706 1.00 0.00 C ATOM 1219 O LYS A 89 -13.176 4.123 9.618 1.00 0.00 O ATOM 1220 CB LYS A 89 -13.531 1.770 11.615 1.00 0.00 C ATOM 1221 CG LYS A 89 -14.747 2.303 12.369 1.00 0.00 C ATOM 1222 CD LYS A 89 -14.484 2.456 13.853 1.00 0.00 C ATOM 1223 CE LYS A 89 -15.673 3.102 14.559 1.00 0.00 C ATOM 1224 NZ LYS A 89 -15.951 4.482 14.062 1.00 0.00 N ATOM 0 H LYS A 89 -11.666 1.922 9.668 1.00 0.00 H new ATOM 0 HA LYS A 89 -14.505 1.164 9.805 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -13.351 0.735 11.908 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.649 2.341 11.905 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -15.035 3.268 11.952 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -15.589 1.627 12.220 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -14.283 1.479 14.292 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -13.592 3.064 14.007 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -16.558 2.482 14.415 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -15.480 3.137 15.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -16.675 4.927 14.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -15.078 5.046 14.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -16.294 4.435 13.081 1.00 0.00 H new ATOM 1238 N LYS A 90 -15.307 3.478 9.448 1.00 0.00 N ATOM 1239 CA LYS A 90 -15.793 4.806 9.168 1.00 0.00 C ATOM 1240 C LYS A 90 -16.642 5.273 10.340 1.00 0.00 C ATOM 1241 O LYS A 90 -16.058 5.563 11.409 1.00 0.00 O ATOM 1242 CB LYS A 90 -16.607 4.826 7.872 1.00 0.00 C ATOM 1243 CG LYS A 90 -15.950 4.070 6.735 1.00 0.00 C ATOM 1244 CD LYS A 90 -16.645 4.317 5.413 1.00 0.00 C ATOM 1245 CE LYS A 90 -16.238 3.273 4.394 1.00 0.00 C ATOM 1246 NZ LYS A 90 -14.767 3.167 4.249 1.00 0.00 N ATOM 1247 OXT LYS A 90 -17.879 5.316 10.211 1.00 0.00 O ATOM 0 H LYS A 90 -16.023 2.752 9.425 1.00 0.00 H new ATOM 0 HA LYS A 90 -14.947 5.481 9.035 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -17.590 4.397 8.063 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -16.765 5.861 7.567 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -14.905 4.370 6.657 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -15.960 3.003 6.956 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -17.726 4.294 5.554 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -16.393 5.311 5.044 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -16.642 2.305 4.689 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -16.678 3.521 3.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -14.535 2.342 3.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -14.400 4.029 3.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -14.333 3.055 5.187 1.00 0.00 H new TER 1261 LYS A 90