USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 582 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 Single : A 1 ASN : amide:sc= -1.33 K(o=-1.3,f=-2.2) USER MOD Single : A 1 ASN N :NH3+ -105:sc= 0.213 (180deg=-1.33!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 31:sc= -1.33! USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 110:sc= 1.12 USER MOD Single : A 34 ASN : amide:sc= -4.29! C(o=-4.3!,f=-6.3!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -36:sc= -0.359! USER MOD Single : A 42 ASN : amide:sc= -3.86! C(o=-3.9!,f=-10!) USER MOD Single : A 43 HIS : no HD1:sc= -18.4! C(o=-18!,f=-19!) USER MOD Single : A 44 SER OG : rot 40:sc= 0.318 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.0097) USER MOD Single : A 54 SER OG : rot 180:sc= -0.656 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HE2:sc= 0.149 K(o=0.15,f=-0.59) USER MOD Single : A 61 TYR OH : rot 180:sc= -0.336 USER MOD Single : A 64 THR OG1 : rot -103:sc= 0.1 USER MOD Single : A 65 TYR OH : rot 180:sc= -3.52! USER MOD Single : A 66 TYR OH : rot 180:sc= -0.0144 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 16.307 4.532 -8.765 1.00 0.00 N ATOM 2 CA ASN A 1 16.161 4.112 -7.341 1.00 0.00 C ATOM 3 C ASN A 1 15.141 5.003 -6.629 1.00 0.00 C ATOM 4 O ASN A 1 15.504 5.910 -5.906 1.00 0.00 O ATOM 5 CB ASN A 1 17.552 4.295 -6.732 1.00 0.00 C ATOM 6 CG ASN A 1 18.084 5.686 -7.084 1.00 0.00 C ATOM 7 OD1 ASN A 1 18.651 5.882 -8.141 1.00 0.00 O ATOM 8 ND2 ASN A 1 17.926 6.666 -6.237 1.00 0.00 N ATOM 0 H1 ASN A 1 15.819 3.850 -9.380 1.00 0.00 H new ATOM 0 H2 ASN A 1 15.888 5.475 -8.893 1.00 0.00 H new ATOM 0 H3 ASN A 1 17.316 4.564 -9.016 1.00 0.00 H new ATOM 0 HA ASN A 1 15.806 3.086 -7.246 1.00 0.00 H new ATOM 0 HB2 ASN A 1 17.505 4.175 -5.650 1.00 0.00 H new ATOM 0 HB3 ASN A 1 18.229 3.529 -7.109 1.00 0.00 H new ATOM 0 HD21 ASN A 1 18.278 7.596 -6.462 1.00 0.00 H new ATOM 0 HD22 ASN A 1 17.450 6.502 -5.350 1.00 0.00 H new ATOM 17 N PRO A 2 13.890 4.712 -6.862 1.00 0.00 N ATOM 18 CA PRO A 2 12.795 5.494 -6.238 1.00 0.00 C ATOM 19 C PRO A 2 12.678 5.157 -4.748 1.00 0.00 C ATOM 20 O PRO A 2 12.259 4.078 -4.378 1.00 0.00 O ATOM 21 CB PRO A 2 11.553 5.038 -6.997 1.00 0.00 C ATOM 22 CG PRO A 2 11.891 3.675 -7.512 1.00 0.00 C ATOM 23 CD PRO A 2 13.383 3.636 -7.720 1.00 0.00 C ATOM 0 HA PRO A 2 12.952 6.571 -6.294 1.00 0.00 H new ATOM 0 HB2 PRO A 2 10.681 5.008 -6.344 1.00 0.00 H new ATOM 0 HB3 PRO A 2 11.317 5.721 -7.813 1.00 0.00 H new ATOM 0 HG2 PRO A 2 11.581 2.908 -6.803 1.00 0.00 H new ATOM 0 HG3 PRO A 2 11.367 3.476 -8.447 1.00 0.00 H new ATOM 0 HD2 PRO A 2 13.800 2.670 -7.437 1.00 0.00 H new ATOM 0 HD3 PRO A 2 13.645 3.802 -8.765 1.00 0.00 H new ATOM 31 N LEU A 3 13.046 6.072 -3.892 1.00 0.00 N ATOM 32 CA LEU A 3 12.956 5.803 -2.428 1.00 0.00 C ATOM 33 C LEU A 3 11.634 5.101 -2.098 1.00 0.00 C ATOM 34 O LEU A 3 10.586 5.466 -2.594 1.00 0.00 O ATOM 35 CB LEU A 3 13.014 7.184 -1.771 1.00 0.00 C ATOM 36 CG LEU A 3 13.287 7.030 -0.273 1.00 0.00 C ATOM 37 CD1 LEU A 3 12.058 6.434 0.413 1.00 0.00 C ATOM 38 CD2 LEU A 3 14.487 6.102 -0.066 1.00 0.00 C ATOM 0 H LEU A 3 13.405 6.993 -4.143 1.00 0.00 H new ATOM 0 HA LEU A 3 13.755 5.150 -2.076 1.00 0.00 H new ATOM 0 HB2 LEU A 3 13.797 7.785 -2.233 1.00 0.00 H new ATOM 0 HB3 LEU A 3 12.073 7.712 -1.927 1.00 0.00 H new ATOM 0 HG LEU A 3 13.504 8.007 0.158 1.00 0.00 H new ATOM 0 HD11 LEU A 3 12.254 6.325 1.480 1.00 0.00 H new ATOM 0 HD12 LEU A 3 11.203 7.095 0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 3 11.839 5.457 -0.018 1.00 0.00 H new ATOM 0 HD21 LEU A 3 14.682 5.992 1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 3 14.270 5.125 -0.498 1.00 0.00 H new ATOM 0 HD23 LEU A 3 15.364 6.528 -0.553 1.00 0.00 H new ATOM 50 N ILE A 4 11.677 4.096 -1.266 1.00 0.00 N ATOM 51 CA ILE A 4 10.423 3.369 -0.907 1.00 0.00 C ATOM 52 C ILE A 4 9.286 4.367 -0.666 1.00 0.00 C ATOM 53 O ILE A 4 9.491 5.421 -0.097 1.00 0.00 O ATOM 54 CB ILE A 4 10.772 2.591 0.379 1.00 0.00 C ATOM 55 CG1 ILE A 4 10.937 1.106 0.043 1.00 0.00 C ATOM 56 CG2 ILE A 4 9.662 2.742 1.431 1.00 0.00 C ATOM 57 CD1 ILE A 4 11.802 0.953 -1.209 1.00 0.00 C ATOM 0 H ILE A 4 12.525 3.746 -0.819 1.00 0.00 H new ATOM 0 HA ILE A 4 10.082 2.701 -1.698 1.00 0.00 H new ATOM 0 HB ILE A 4 11.699 2.996 0.785 1.00 0.00 H new ATOM 0 HG12 ILE A 4 11.398 0.583 0.881 1.00 0.00 H new ATOM 0 HG13 ILE A 4 9.961 0.650 -0.120 1.00 0.00 H new ATOM 0 HG21 ILE A 4 9.932 2.184 2.328 1.00 0.00 H new ATOM 0 HG22 ILE A 4 9.540 3.796 1.682 1.00 0.00 H new ATOM 0 HG23 ILE A 4 8.726 2.353 1.030 1.00 0.00 H new ATOM 0 HD11 ILE A 4 11.917 -0.105 -1.445 1.00 0.00 H new ATOM 0 HD12 ILE A 4 11.324 1.461 -2.046 1.00 0.00 H new ATOM 0 HD13 ILE A 4 12.783 1.393 -1.030 1.00 0.00 H new ATOM 69 N PRO A 5 8.117 3.985 -1.095 1.00 0.00 N ATOM 70 CA PRO A 5 6.928 4.840 -0.908 1.00 0.00 C ATOM 71 C PRO A 5 6.453 4.766 0.543 1.00 0.00 C ATOM 72 O PRO A 5 6.806 3.867 1.280 1.00 0.00 O ATOM 73 CB PRO A 5 5.893 4.231 -1.843 1.00 0.00 C ATOM 74 CG PRO A 5 6.307 2.801 -2.011 1.00 0.00 C ATOM 75 CD PRO A 5 7.798 2.733 -1.791 1.00 0.00 C ATOM 0 HA PRO A 5 7.118 5.892 -1.121 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.891 4.304 -1.421 1.00 0.00 H new ATOM 0 HB3 PRO A 5 5.874 4.750 -2.801 1.00 0.00 H new ATOM 0 HG2 PRO A 5 5.784 2.164 -1.297 1.00 0.00 H new ATOM 0 HG3 PRO A 5 6.049 2.442 -3.007 1.00 0.00 H new ATOM 0 HD2 PRO A 5 8.073 1.864 -1.193 1.00 0.00 H new ATOM 0 HD3 PRO A 5 8.337 2.654 -2.735 1.00 0.00 H new ATOM 83 N ALA A 6 5.655 5.705 0.953 1.00 0.00 N ATOM 84 CA ALA A 6 5.148 5.698 2.354 1.00 0.00 C ATOM 85 C ALA A 6 4.322 4.434 2.606 1.00 0.00 C ATOM 86 O ALA A 6 4.441 3.794 3.631 1.00 0.00 O ATOM 87 CB ALA A 6 4.271 6.944 2.466 1.00 0.00 C ATOM 0 H ALA A 6 5.329 6.482 0.378 1.00 0.00 H new ATOM 0 HA ALA A 6 5.955 5.704 3.087 1.00 0.00 H new ATOM 0 HB1 ALA A 6 3.859 7.010 3.473 1.00 0.00 H new ATOM 0 HB2 ALA A 6 4.871 7.831 2.261 1.00 0.00 H new ATOM 0 HB3 ALA A 6 3.457 6.882 1.744 1.00 0.00 H new ATOM 93 N ILE A 7 3.483 4.076 1.673 1.00 0.00 N ATOM 94 CA ILE A 7 2.643 2.855 1.849 1.00 0.00 C ATOM 95 C ILE A 7 3.510 1.657 2.257 1.00 0.00 C ATOM 96 O ILE A 7 3.259 1.009 3.253 1.00 0.00 O ATOM 97 CB ILE A 7 1.976 2.618 0.483 1.00 0.00 C ATOM 98 CG1 ILE A 7 1.496 1.168 0.383 1.00 0.00 C ATOM 99 CG2 ILE A 7 2.965 2.892 -0.656 1.00 0.00 C ATOM 100 CD1 ILE A 7 0.750 0.780 1.659 1.00 0.00 C ATOM 0 H ILE A 7 3.342 4.576 0.795 1.00 0.00 H new ATOM 0 HA ILE A 7 1.902 2.980 2.639 1.00 0.00 H new ATOM 0 HB ILE A 7 1.129 3.298 0.395 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.842 1.051 -0.481 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.347 0.503 0.232 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.474 2.719 -1.614 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.303 3.927 -0.603 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.822 2.225 -0.562 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.411 -0.253 1.582 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.417 0.880 2.515 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.111 1.436 1.791 1.00 0.00 H new ATOM 112 N TYR A 8 4.525 1.360 1.499 1.00 0.00 N ATOM 113 CA TYR A 8 5.402 0.203 1.841 1.00 0.00 C ATOM 114 C TYR A 8 5.870 0.301 3.293 1.00 0.00 C ATOM 115 O TYR A 8 6.081 -0.696 3.955 1.00 0.00 O ATOM 116 CB TYR A 8 6.583 0.309 0.873 1.00 0.00 C ATOM 117 CG TYR A 8 6.139 -0.080 -0.522 1.00 0.00 C ATOM 118 CD1 TYR A 8 4.779 -0.272 -0.804 1.00 0.00 C ATOM 119 CD2 TYR A 8 7.089 -0.246 -1.536 1.00 0.00 C ATOM 120 CE1 TYR A 8 4.371 -0.628 -2.092 1.00 0.00 C ATOM 121 CE2 TYR A 8 6.680 -0.604 -2.827 1.00 0.00 C ATOM 122 CZ TYR A 8 5.321 -0.794 -3.105 1.00 0.00 C ATOM 123 OH TYR A 8 4.920 -1.147 -4.377 1.00 0.00 O ATOM 0 H TYR A 8 4.788 1.868 0.655 1.00 0.00 H new ATOM 0 HA TYR A 8 4.887 -0.753 1.748 1.00 0.00 H new ATOM 0 HB2 TYR A 8 6.972 1.327 0.870 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.394 -0.341 1.201 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.044 -0.144 -0.023 1.00 0.00 H new ATOM 0 HD2 TYR A 8 8.137 -0.098 -1.323 1.00 0.00 H new ATOM 0 HE1 TYR A 8 3.323 -0.775 -2.305 1.00 0.00 H new ATOM 0 HE2 TYR A 8 7.414 -0.734 -3.609 1.00 0.00 H new ATOM 0 HH TYR A 8 5.705 -1.220 -4.959 1.00 0.00 H new ATOM 133 N ILE A 9 6.024 1.492 3.799 1.00 0.00 N ATOM 134 CA ILE A 9 6.470 1.642 5.212 1.00 0.00 C ATOM 135 C ILE A 9 5.336 1.244 6.156 1.00 0.00 C ATOM 136 O ILE A 9 4.216 1.694 6.022 1.00 0.00 O ATOM 137 CB ILE A 9 6.812 3.124 5.370 1.00 0.00 C ATOM 138 CG1 ILE A 9 7.952 3.490 4.415 1.00 0.00 C ATOM 139 CG2 ILE A 9 7.251 3.397 6.810 1.00 0.00 C ATOM 140 CD1 ILE A 9 8.320 4.964 4.598 1.00 0.00 C ATOM 0 H ILE A 9 5.861 2.365 3.298 1.00 0.00 H new ATOM 0 HA ILE A 9 7.324 1.007 5.450 1.00 0.00 H new ATOM 0 HB ILE A 9 5.933 3.725 5.137 1.00 0.00 H new ATOM 0 HG12 ILE A 9 8.820 2.861 4.611 1.00 0.00 H new ATOM 0 HG13 ILE A 9 7.650 3.305 3.384 1.00 0.00 H new ATOM 0 HG21 ILE A 9 7.495 4.453 6.922 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.442 3.137 7.493 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.130 2.795 7.043 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.131 5.224 3.918 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.451 5.586 4.381 1.00 0.00 H new ATOM 0 HD13 ILE A 9 8.640 5.134 5.626 1.00 0.00 H new ATOM 152 N GLY A 10 5.614 0.390 7.102 1.00 0.00 N ATOM 153 CA GLY A 10 4.546 -0.047 8.041 1.00 0.00 C ATOM 154 C GLY A 10 3.437 -0.714 7.233 1.00 0.00 C ATOM 155 O GLY A 10 2.273 -0.646 7.576 1.00 0.00 O ATOM 0 H GLY A 10 6.533 -0.023 7.264 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.950 -0.742 8.777 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.152 0.807 8.592 1.00 0.00 H new ATOM 159 N ALA A 11 3.792 -1.351 6.150 1.00 0.00 N ATOM 160 CA ALA A 11 2.756 -2.016 5.305 1.00 0.00 C ATOM 161 C ALA A 11 2.945 -3.535 5.314 1.00 0.00 C ATOM 162 O ALA A 11 3.614 -4.082 6.167 1.00 0.00 O ATOM 163 CB ALA A 11 2.978 -1.460 3.900 1.00 0.00 C ATOM 0 H ALA A 11 4.751 -1.440 5.814 1.00 0.00 H new ATOM 0 HA ALA A 11 1.747 -1.824 5.670 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.253 -1.901 3.216 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.853 -0.377 3.913 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.987 -1.704 3.567 1.00 0.00 H new ATOM 169 N THR A 12 2.358 -4.220 4.368 1.00 0.00 N ATOM 170 CA THR A 12 2.505 -5.705 4.320 1.00 0.00 C ATOM 171 C THR A 12 2.307 -6.198 2.886 1.00 0.00 C ATOM 172 O THR A 12 1.198 -6.373 2.438 1.00 0.00 O ATOM 173 CB THR A 12 1.396 -6.247 5.229 1.00 0.00 C ATOM 174 OG1 THR A 12 1.819 -6.175 6.584 1.00 0.00 O ATOM 175 CG2 THR A 12 1.087 -7.703 4.865 1.00 0.00 C ATOM 0 H THR A 12 1.784 -3.816 3.628 1.00 0.00 H new ATOM 0 HA THR A 12 3.492 -6.036 4.644 1.00 0.00 H new ATOM 0 HB THR A 12 0.496 -5.647 5.094 1.00 0.00 H new ATOM 0 HG1 THR A 12 2.417 -5.408 6.700 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.298 -8.081 5.515 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.759 -7.757 3.827 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.984 -8.308 4.993 1.00 0.00 H new ATOM 183 N VAL A 13 3.365 -6.428 2.163 1.00 0.00 N ATOM 184 CA VAL A 13 3.209 -6.909 0.760 1.00 0.00 C ATOM 185 C VAL A 13 3.269 -8.438 0.716 1.00 0.00 C ATOM 186 O VAL A 13 3.555 -9.086 1.703 1.00 0.00 O ATOM 187 CB VAL A 13 4.390 -6.303 -0.001 1.00 0.00 C ATOM 188 CG1 VAL A 13 4.530 -4.821 0.355 1.00 0.00 C ATOM 189 CG2 VAL A 13 5.675 -7.039 0.382 1.00 0.00 C ATOM 0 H VAL A 13 4.327 -6.305 2.479 1.00 0.00 H new ATOM 0 HA VAL A 13 2.253 -6.616 0.327 1.00 0.00 H new ATOM 0 HB VAL A 13 4.215 -6.402 -1.072 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.372 -4.394 -0.189 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.616 -4.293 0.082 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.701 -4.719 1.427 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.517 -6.608 -0.160 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.845 -6.941 1.454 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.580 -8.094 0.125 1.00 0.00 H new ATOM 199 N GLY A 14 3.004 -9.019 -0.422 1.00 0.00 N ATOM 200 CA GLY A 14 3.048 -10.505 -0.528 1.00 0.00 C ATOM 201 C GLY A 14 4.481 -10.954 -0.821 1.00 0.00 C ATOM 202 O GLY A 14 5.423 -10.230 -0.571 1.00 0.00 O ATOM 0 H GLY A 14 2.759 -8.529 -1.283 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.697 -10.957 0.400 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.380 -10.844 -1.320 1.00 0.00 H new ATOM 206 N PRO A 15 4.594 -12.146 -1.340 1.00 0.00 N ATOM 207 CA PRO A 15 5.924 -12.710 -1.673 1.00 0.00 C ATOM 208 C PRO A 15 6.483 -12.054 -2.938 1.00 0.00 C ATOM 209 O PRO A 15 7.632 -11.658 -2.988 1.00 0.00 O ATOM 210 CB PRO A 15 5.635 -14.189 -1.911 1.00 0.00 C ATOM 211 CG PRO A 15 4.193 -14.246 -2.308 1.00 0.00 C ATOM 212 CD PRO A 15 3.503 -13.071 -1.664 1.00 0.00 C ATOM 0 HA PRO A 15 6.667 -12.545 -0.893 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.276 -14.595 -2.694 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.820 -14.776 -1.012 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.091 -14.204 -3.392 1.00 0.00 H new ATOM 0 HG3 PRO A 15 3.741 -15.183 -1.981 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.781 -12.614 -2.340 1.00 0.00 H new ATOM 0 HD3 PRO A 15 2.957 -13.371 -0.770 1.00 0.00 H new ATOM 220 N SER A 16 5.683 -11.936 -3.962 1.00 0.00 N ATOM 221 CA SER A 16 6.173 -11.307 -5.223 1.00 0.00 C ATOM 222 C SER A 16 6.447 -9.817 -5.000 1.00 0.00 C ATOM 223 O SER A 16 7.502 -9.314 -5.333 1.00 0.00 O ATOM 224 CB SER A 16 5.038 -11.498 -6.228 1.00 0.00 C ATOM 225 OG SER A 16 5.574 -11.509 -7.545 1.00 0.00 O ATOM 0 H SER A 16 4.712 -12.247 -3.981 1.00 0.00 H new ATOM 0 HA SER A 16 7.105 -11.752 -5.571 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.514 -12.432 -6.029 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.308 -10.695 -6.127 1.00 0.00 H new ATOM 0 HG SER A 16 4.849 -11.633 -8.192 1.00 0.00 H new ATOM 231 N VAL A 17 5.506 -9.108 -4.441 1.00 0.00 N ATOM 232 CA VAL A 17 5.716 -7.652 -4.200 1.00 0.00 C ATOM 233 C VAL A 17 6.961 -7.439 -3.339 1.00 0.00 C ATOM 234 O VAL A 17 7.788 -6.596 -3.627 1.00 0.00 O ATOM 235 CB VAL A 17 4.463 -7.185 -3.460 1.00 0.00 C ATOM 236 CG1 VAL A 17 4.525 -5.670 -3.264 1.00 0.00 C ATOM 237 CG2 VAL A 17 3.224 -7.542 -4.285 1.00 0.00 C ATOM 0 H VAL A 17 4.602 -9.473 -4.141 1.00 0.00 H new ATOM 0 HA VAL A 17 5.869 -7.096 -5.125 1.00 0.00 H new ATOM 0 HB VAL A 17 4.408 -7.676 -2.488 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.632 -5.335 -2.736 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.409 -5.415 -2.680 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.578 -5.179 -4.236 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.329 -7.210 -3.759 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.279 -7.049 -5.256 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.181 -8.622 -4.428 1.00 0.00 H new ATOM 247 N TRP A 18 7.106 -8.198 -2.288 1.00 0.00 N ATOM 248 CA TRP A 18 8.305 -8.034 -1.420 1.00 0.00 C ATOM 249 C TRP A 18 9.571 -8.095 -2.276 1.00 0.00 C ATOM 250 O TRP A 18 10.331 -7.150 -2.348 1.00 0.00 O ATOM 251 CB TRP A 18 8.261 -9.209 -0.443 1.00 0.00 C ATOM 252 CG TRP A 18 9.227 -8.961 0.671 1.00 0.00 C ATOM 253 CD1 TRP A 18 9.386 -7.780 1.309 1.00 0.00 C ATOM 254 CD2 TRP A 18 10.167 -9.889 1.287 1.00 0.00 C ATOM 255 NE1 TRP A 18 10.360 -7.922 2.279 1.00 0.00 N ATOM 256 CE2 TRP A 18 10.873 -9.204 2.304 1.00 0.00 C ATOM 257 CE3 TRP A 18 10.473 -11.244 1.066 1.00 0.00 C ATOM 258 CZ2 TRP A 18 11.848 -9.841 3.075 1.00 0.00 C ATOM 259 CZ3 TRP A 18 11.454 -11.887 1.839 1.00 0.00 C ATOM 260 CH2 TRP A 18 12.139 -11.186 2.841 1.00 0.00 C ATOM 0 H TRP A 18 6.449 -8.921 -1.994 1.00 0.00 H new ATOM 0 HA TRP A 18 8.311 -7.078 -0.896 1.00 0.00 H new ATOM 0 HB2 TRP A 18 7.253 -9.329 -0.046 1.00 0.00 H new ATOM 0 HB3 TRP A 18 8.513 -10.136 -0.959 1.00 0.00 H new ATOM 0 HD1 TRP A 18 8.840 -6.873 1.095 1.00 0.00 H new ATOM 0 HE1 TRP A 18 10.663 -7.172 2.900 1.00 0.00 H new ATOM 0 HE3 TRP A 18 9.950 -11.794 0.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 12.373 -9.297 3.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 11.682 -12.927 1.660 1.00 0.00 H new ATOM 0 HH2 TRP A 18 12.892 -11.686 3.432 1.00 0.00 H new ATOM 271 N ALA A 19 9.798 -9.200 -2.931 1.00 0.00 N ATOM 272 CA ALA A 19 11.009 -9.322 -3.788 1.00 0.00 C ATOM 273 C ALA A 19 11.200 -8.046 -4.610 1.00 0.00 C ATOM 274 O ALA A 19 12.305 -7.588 -4.818 1.00 0.00 O ATOM 275 CB ALA A 19 10.732 -10.515 -4.703 1.00 0.00 C ATOM 0 H ALA A 19 9.197 -10.024 -2.909 1.00 0.00 H new ATOM 0 HA ALA A 19 11.918 -9.464 -3.203 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.582 -10.669 -5.367 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.577 -11.409 -4.099 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.839 -10.319 -5.296 1.00 0.00 H new ATOM 281 N TYR A 20 10.128 -7.467 -5.073 1.00 0.00 N ATOM 282 CA TYR A 20 10.244 -6.216 -5.877 1.00 0.00 C ATOM 283 C TYR A 20 10.909 -5.119 -5.044 1.00 0.00 C ATOM 284 O TYR A 20 11.889 -4.526 -5.448 1.00 0.00 O ATOM 285 CB TYR A 20 8.806 -5.828 -6.220 1.00 0.00 C ATOM 286 CG TYR A 20 8.813 -4.801 -7.328 1.00 0.00 C ATOM 287 CD1 TYR A 20 9.330 -3.521 -7.092 1.00 0.00 C ATOM 288 CD2 TYR A 20 8.300 -5.128 -8.589 1.00 0.00 C ATOM 289 CE1 TYR A 20 9.334 -2.568 -8.118 1.00 0.00 C ATOM 290 CE2 TYR A 20 8.306 -4.174 -9.615 1.00 0.00 C ATOM 291 CZ TYR A 20 8.823 -2.895 -9.379 1.00 0.00 C ATOM 292 OH TYR A 20 8.828 -1.955 -10.390 1.00 0.00 O ATOM 0 H TYR A 20 9.176 -7.805 -4.930 1.00 0.00 H new ATOM 0 HA TYR A 20 10.852 -6.354 -6.771 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.244 -6.709 -6.530 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.307 -5.425 -5.339 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.725 -3.269 -6.119 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.900 -6.115 -8.771 1.00 0.00 H new ATOM 0 HE1 TYR A 20 9.732 -1.580 -7.936 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.912 -4.426 -10.588 1.00 0.00 H new ATOM 0 HH TYR A 20 8.439 -2.344 -11.201 1.00 0.00 H new ATOM 302 N LEU A 21 10.381 -4.849 -3.883 1.00 0.00 N ATOM 303 CA LEU A 21 10.978 -3.793 -3.018 1.00 0.00 C ATOM 304 C LEU A 21 12.446 -4.119 -2.726 1.00 0.00 C ATOM 305 O LEU A 21 13.331 -3.328 -2.985 1.00 0.00 O ATOM 306 CB LEU A 21 10.152 -3.827 -1.733 1.00 0.00 C ATOM 307 CG LEU A 21 10.177 -2.449 -1.071 1.00 0.00 C ATOM 308 CD1 LEU A 21 9.393 -2.500 0.241 1.00 0.00 C ATOM 309 CD2 LEU A 21 11.625 -2.047 -0.785 1.00 0.00 C ATOM 0 H LEU A 21 9.561 -5.315 -3.495 1.00 0.00 H new ATOM 0 HA LEU A 21 10.960 -2.810 -3.488 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.125 -4.116 -1.956 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.553 -4.577 -1.051 1.00 0.00 H new ATOM 0 HG LEU A 21 9.722 -1.717 -1.738 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.410 -1.518 0.714 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.361 -2.787 0.037 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.848 -3.232 0.908 1.00 0.00 H new ATOM 0 HD21 LEU A 21 11.643 -1.065 -0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 21 12.081 -2.779 -0.118 1.00 0.00 H new ATOM 0 HD23 LEU A 21 12.184 -2.011 -1.720 1.00 0.00 H new ATOM 321 N VAL A 22 12.709 -5.280 -2.193 1.00 0.00 N ATOM 322 CA VAL A 22 14.119 -5.659 -1.888 1.00 0.00 C ATOM 323 C VAL A 22 15.028 -5.280 -3.056 1.00 0.00 C ATOM 324 O VAL A 22 15.936 -4.486 -2.919 1.00 0.00 O ATOM 325 CB VAL A 22 14.087 -7.175 -1.697 1.00 0.00 C ATOM 326 CG1 VAL A 22 15.514 -7.699 -1.529 1.00 0.00 C ATOM 327 CG2 VAL A 22 13.270 -7.514 -0.448 1.00 0.00 C ATOM 0 H VAL A 22 12.009 -5.983 -1.955 1.00 0.00 H new ATOM 0 HA VAL A 22 14.507 -5.148 -1.007 1.00 0.00 H new ATOM 0 HB VAL A 22 13.629 -7.641 -2.570 1.00 0.00 H new ATOM 0 HG11 VAL A 22 15.491 -8.780 -1.393 1.00 0.00 H new ATOM 0 HG12 VAL A 22 16.097 -7.458 -2.418 1.00 0.00 H new ATOM 0 HG13 VAL A 22 15.972 -7.233 -0.657 1.00 0.00 H new ATOM 0 HG21 VAL A 22 13.247 -8.595 -0.311 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.728 -7.047 0.424 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.253 -7.141 -0.566 1.00 0.00 H new ATOM 337 N ALA A 23 14.786 -5.843 -4.205 1.00 0.00 N ATOM 338 CA ALA A 23 15.631 -5.515 -5.389 1.00 0.00 C ATOM 339 C ALA A 23 15.802 -3.999 -5.505 1.00 0.00 C ATOM 340 O ALA A 23 16.873 -3.505 -5.800 1.00 0.00 O ATOM 341 CB ALA A 23 14.860 -6.061 -6.591 1.00 0.00 C ATOM 0 H ALA A 23 14.040 -6.517 -4.377 1.00 0.00 H new ATOM 0 HA ALA A 23 16.630 -5.946 -5.318 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.419 -5.858 -7.504 1.00 0.00 H new ATOM 0 HB2 ALA A 23 14.726 -7.137 -6.479 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.885 -5.578 -6.648 1.00 0.00 H new ATOM 347 N LEU A 24 14.753 -3.260 -5.275 1.00 0.00 N ATOM 348 CA LEU A 24 14.847 -1.776 -5.370 1.00 0.00 C ATOM 349 C LEU A 24 15.881 -1.247 -4.373 1.00 0.00 C ATOM 350 O LEU A 24 16.656 -0.362 -4.678 1.00 0.00 O ATOM 351 CB LEU A 24 13.448 -1.276 -5.011 1.00 0.00 C ATOM 352 CG LEU A 24 13.181 0.054 -5.717 1.00 0.00 C ATOM 353 CD1 LEU A 24 13.351 -0.126 -7.226 1.00 0.00 C ATOM 354 CD2 LEU A 24 11.752 0.512 -5.416 1.00 0.00 C ATOM 0 H LEU A 24 13.832 -3.620 -5.025 1.00 0.00 H new ATOM 0 HA LEU A 24 15.162 -1.440 -6.358 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.701 -2.012 -5.307 1.00 0.00 H new ATOM 0 HB3 LEU A 24 13.362 -1.150 -3.932 1.00 0.00 H new ATOM 0 HG LEU A 24 13.887 0.804 -5.359 1.00 0.00 H new ATOM 0 HD11 LEU A 24 13.161 0.822 -7.729 1.00 0.00 H new ATOM 0 HD12 LEU A 24 14.368 -0.453 -7.441 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.645 -0.875 -7.585 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.560 1.460 -5.919 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.047 -0.238 -5.774 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.630 0.640 -4.340 1.00 0.00 H new ATOM 366 N VAL A 25 15.897 -1.781 -3.183 1.00 0.00 N ATOM 367 CA VAL A 25 16.880 -1.307 -2.164 1.00 0.00 C ATOM 368 C VAL A 25 17.680 -2.494 -1.603 1.00 0.00 C ATOM 369 O VAL A 25 18.737 -2.826 -2.101 1.00 0.00 O ATOM 370 CB VAL A 25 16.037 -0.626 -1.069 1.00 0.00 C ATOM 371 CG1 VAL A 25 14.708 -1.366 -0.882 1.00 0.00 C ATOM 372 CG2 VAL A 25 16.806 -0.622 0.254 1.00 0.00 C ATOM 0 H VAL A 25 15.273 -2.525 -2.871 1.00 0.00 H new ATOM 0 HA VAL A 25 17.611 -0.616 -2.584 1.00 0.00 H new ATOM 0 HB VAL A 25 15.834 0.400 -1.376 1.00 0.00 H new ATOM 0 HG11 VAL A 25 14.123 -0.873 -0.105 1.00 0.00 H new ATOM 0 HG12 VAL A 25 14.150 -1.354 -1.818 1.00 0.00 H new ATOM 0 HG13 VAL A 25 14.904 -2.398 -0.589 1.00 0.00 H new ATOM 0 HG21 VAL A 25 16.204 -0.139 1.023 1.00 0.00 H new ATOM 0 HG22 VAL A 25 17.021 -1.648 0.553 1.00 0.00 H new ATOM 0 HG23 VAL A 25 17.741 -0.076 0.130 1.00 0.00 H new ATOM 382 N GLY A 26 17.192 -3.131 -0.573 1.00 0.00 N ATOM 383 CA GLY A 26 17.932 -4.285 0.009 1.00 0.00 C ATOM 384 C GLY A 26 17.184 -4.798 1.240 1.00 0.00 C ATOM 385 O GLY A 26 16.297 -4.146 1.754 1.00 0.00 O ATOM 0 H GLY A 26 16.313 -2.901 -0.110 1.00 0.00 H new ATOM 0 HA2 GLY A 26 18.027 -5.080 -0.730 1.00 0.00 H new ATOM 0 HA3 GLY A 26 18.942 -3.982 0.284 1.00 0.00 H new ATOM 389 N ALA A 27 17.529 -5.963 1.713 1.00 0.00 N ATOM 390 CA ALA A 27 16.832 -6.520 2.905 1.00 0.00 C ATOM 391 C ALA A 27 17.016 -5.603 4.117 1.00 0.00 C ATOM 392 O ALA A 27 16.269 -5.670 5.074 1.00 0.00 O ATOM 393 CB ALA A 27 17.492 -7.876 3.152 1.00 0.00 C ATOM 0 H ALA A 27 18.264 -6.554 1.325 1.00 0.00 H new ATOM 0 HA ALA A 27 15.758 -6.610 2.744 1.00 0.00 H new ATOM 0 HB1 ALA A 27 17.032 -8.352 4.018 1.00 0.00 H new ATOM 0 HB2 ALA A 27 17.359 -8.510 2.276 1.00 0.00 H new ATOM 0 HB3 ALA A 27 18.556 -7.734 3.339 1.00 0.00 H new ATOM 399 N ALA A 28 17.998 -4.746 4.090 1.00 0.00 N ATOM 400 CA ALA A 28 18.214 -3.835 5.244 1.00 0.00 C ATOM 401 C ALA A 28 17.133 -2.756 5.259 1.00 0.00 C ATOM 402 O ALA A 28 16.325 -2.687 6.164 1.00 0.00 O ATOM 403 CB ALA A 28 19.594 -3.216 5.019 1.00 0.00 C ATOM 0 H ALA A 28 18.658 -4.638 3.320 1.00 0.00 H new ATOM 0 HA ALA A 28 18.162 -4.356 6.200 1.00 0.00 H new ATOM 0 HB1 ALA A 28 19.822 -2.530 5.835 1.00 0.00 H new ATOM 0 HB2 ALA A 28 20.346 -4.005 4.987 1.00 0.00 H new ATOM 0 HB3 ALA A 28 19.599 -2.672 4.075 1.00 0.00 H new ATOM 409 N ALA A 29 17.102 -1.921 4.259 1.00 0.00 N ATOM 410 CA ALA A 29 16.058 -0.860 4.218 1.00 0.00 C ATOM 411 C ALA A 29 14.679 -1.514 4.145 1.00 0.00 C ATOM 412 O ALA A 29 13.677 -0.919 4.490 1.00 0.00 O ATOM 413 CB ALA A 29 16.343 -0.059 2.948 1.00 0.00 C ATOM 0 H ALA A 29 17.751 -1.927 3.472 1.00 0.00 H new ATOM 0 HA ALA A 29 16.073 -0.221 5.101 1.00 0.00 H new ATOM 0 HB1 ALA A 29 15.611 0.743 2.851 1.00 0.00 H new ATOM 0 HB2 ALA A 29 17.344 0.369 3.004 1.00 0.00 H new ATOM 0 HB3 ALA A 29 16.278 -0.716 2.081 1.00 0.00 H new ATOM 419 N VAL A 30 14.624 -2.741 3.700 1.00 0.00 N ATOM 420 CA VAL A 30 13.313 -3.440 3.610 1.00 0.00 C ATOM 421 C VAL A 30 12.837 -3.827 5.012 1.00 0.00 C ATOM 422 O VAL A 30 11.656 -3.821 5.301 1.00 0.00 O ATOM 423 CB VAL A 30 13.582 -4.686 2.768 1.00 0.00 C ATOM 424 CG1 VAL A 30 12.430 -5.678 2.940 1.00 0.00 C ATOM 425 CG2 VAL A 30 13.697 -4.291 1.295 1.00 0.00 C ATOM 0 H VAL A 30 15.430 -3.287 3.396 1.00 0.00 H new ATOM 0 HA VAL A 30 12.536 -2.816 3.167 1.00 0.00 H new ATOM 0 HB VAL A 30 14.513 -5.150 3.095 1.00 0.00 H new ATOM 0 HG11 VAL A 30 12.622 -6.567 2.339 1.00 0.00 H new ATOM 0 HG12 VAL A 30 12.347 -5.961 3.989 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.499 -5.214 2.614 1.00 0.00 H new ATOM 0 HG21 VAL A 30 13.889 -5.180 0.694 1.00 0.00 H new ATOM 0 HG22 VAL A 30 12.766 -3.827 0.969 1.00 0.00 H new ATOM 0 HG23 VAL A 30 14.518 -3.585 1.171 1.00 0.00 H new ATOM 435 N THR A 31 13.748 -4.161 5.885 1.00 0.00 N ATOM 436 CA THR A 31 13.347 -4.543 7.270 1.00 0.00 C ATOM 437 C THR A 31 13.264 -3.295 8.151 1.00 0.00 C ATOM 438 O THR A 31 12.628 -3.294 9.186 1.00 0.00 O ATOM 439 CB THR A 31 14.453 -5.477 7.760 1.00 0.00 C ATOM 440 OG1 THR A 31 14.703 -6.469 6.775 1.00 0.00 O ATOM 441 CG2 THR A 31 14.014 -6.149 9.063 1.00 0.00 C ATOM 0 H THR A 31 14.751 -4.186 5.700 1.00 0.00 H new ATOM 0 HA THR A 31 12.369 -5.023 7.303 1.00 0.00 H new ATOM 0 HB THR A 31 15.363 -4.903 7.937 1.00 0.00 H new ATOM 0 HG1 THR A 31 15.577 -6.307 6.362 1.00 0.00 H new ATOM 0 HG21 THR A 31 14.803 -6.815 9.413 1.00 0.00 H new ATOM 0 HG22 THR A 31 13.821 -5.387 9.818 1.00 0.00 H new ATOM 0 HG23 THR A 31 13.105 -6.724 8.887 1.00 0.00 H new ATOM 449 N ALA A 32 13.897 -2.229 7.743 1.00 0.00 N ATOM 450 CA ALA A 32 13.851 -0.978 8.551 1.00 0.00 C ATOM 451 C ALA A 32 12.596 -0.177 8.197 1.00 0.00 C ATOM 452 O ALA A 32 12.129 0.639 8.966 1.00 0.00 O ATOM 453 CB ALA A 32 15.111 -0.206 8.161 1.00 0.00 C ATOM 0 H ALA A 32 14.444 -2.171 6.884 1.00 0.00 H new ATOM 0 HA ALA A 32 13.814 -1.175 9.622 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.150 0.731 8.716 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.991 -0.804 8.397 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.092 0.006 7.092 1.00 0.00 H new ATOM 459 N ALA A 33 12.044 -0.411 7.036 1.00 0.00 N ATOM 460 CA ALA A 33 10.815 0.329 6.630 1.00 0.00 C ATOM 461 C ALA A 33 9.572 -0.427 7.104 1.00 0.00 C ATOM 462 O ALA A 33 8.498 -0.280 6.560 1.00 0.00 O ATOM 463 CB ALA A 33 10.867 0.375 5.103 1.00 0.00 C ATOM 0 H ALA A 33 12.392 -1.083 6.352 1.00 0.00 H new ATOM 0 HA ALA A 33 10.767 1.328 7.064 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.993 0.906 4.725 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.772 0.893 4.785 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.873 -0.641 4.708 1.00 0.00 H new ATOM 469 N ASN A 34 9.716 -1.239 8.115 1.00 0.00 N ATOM 470 CA ASN A 34 8.548 -2.010 8.630 1.00 0.00 C ATOM 471 C ASN A 34 7.721 -2.567 7.465 1.00 0.00 C ATOM 472 O ASN A 34 6.658 -2.067 7.139 1.00 0.00 O ATOM 473 CB ASN A 34 7.737 -1.005 9.448 1.00 0.00 C ATOM 474 CG ASN A 34 6.572 -1.722 10.129 1.00 0.00 C ATOM 475 OD1 ASN A 34 5.901 -2.533 9.520 1.00 0.00 O ATOM 476 ND2 ASN A 34 6.299 -1.458 11.378 1.00 0.00 N ATOM 0 H ASN A 34 10.594 -1.402 8.608 1.00 0.00 H new ATOM 0 HA ASN A 34 8.851 -2.867 9.232 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.373 -0.531 10.196 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.361 -0.212 8.801 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.524 -1.932 11.842 1.00 0.00 H new ATOM 0 HD22 ASN A 34 6.861 -0.778 11.890 1.00 0.00 H new ATOM 483 N ILE A 35 8.203 -3.608 6.842 1.00 0.00 N ATOM 484 CA ILE A 35 7.457 -4.215 5.703 1.00 0.00 C ATOM 485 C ILE A 35 7.196 -5.697 5.988 1.00 0.00 C ATOM 486 O ILE A 35 8.105 -6.503 6.012 1.00 0.00 O ATOM 487 CB ILE A 35 8.377 -4.055 4.494 1.00 0.00 C ATOM 488 CG1 ILE A 35 8.449 -2.578 4.101 1.00 0.00 C ATOM 489 CG2 ILE A 35 7.825 -4.867 3.321 1.00 0.00 C ATOM 490 CD1 ILE A 35 9.811 -2.281 3.472 1.00 0.00 C ATOM 0 H ILE A 35 9.085 -4.066 7.074 1.00 0.00 H new ATOM 0 HA ILE A 35 6.489 -3.742 5.538 1.00 0.00 H new ATOM 0 HB ILE A 35 9.375 -4.414 4.747 1.00 0.00 H new ATOM 0 HG12 ILE A 35 7.652 -2.339 3.397 1.00 0.00 H new ATOM 0 HG13 ILE A 35 8.298 -1.950 4.979 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.482 -4.753 2.458 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.772 -5.919 3.600 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.827 -4.508 3.068 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.861 -1.229 3.192 1.00 0.00 H new ATOM 0 HD12 ILE A 35 10.600 -2.503 4.191 1.00 0.00 H new ATOM 0 HD13 ILE A 35 9.944 -2.899 2.584 1.00 0.00 H new ATOM 502 N ARG A 36 5.964 -6.060 6.213 1.00 0.00 N ATOM 503 CA ARG A 36 5.649 -7.487 6.506 1.00 0.00 C ATOM 504 C ARG A 36 5.275 -8.230 5.222 1.00 0.00 C ATOM 505 O ARG A 36 4.646 -7.685 4.337 1.00 0.00 O ATOM 506 CB ARG A 36 4.456 -7.439 7.461 1.00 0.00 C ATOM 507 CG ARG A 36 4.956 -7.290 8.897 1.00 0.00 C ATOM 508 CD ARG A 36 4.715 -8.595 9.660 1.00 0.00 C ATOM 509 NE ARG A 36 4.748 -8.211 11.098 1.00 0.00 N ATOM 510 CZ ARG A 36 5.892 -8.008 11.693 1.00 0.00 C ATOM 511 NH1 ARG A 36 6.553 -6.904 11.477 1.00 0.00 N ATOM 512 NH2 ARG A 36 6.374 -8.909 12.504 1.00 0.00 N ATOM 0 H ARG A 36 5.161 -5.431 6.207 1.00 0.00 H new ATOM 0 HA ARG A 36 6.501 -8.014 6.937 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.804 -6.604 7.203 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.863 -8.348 7.364 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.018 -7.046 8.900 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.438 -6.467 9.390 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.756 -9.038 9.392 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.483 -9.334 9.431 1.00 0.00 H new ATOM 0 HE ARG A 36 3.877 -8.107 11.618 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.176 -6.199 10.843 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.447 -6.745 11.942 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.857 -9.772 12.673 1.00 0.00 H new ATOM 0 HH22 ARG A 36 7.268 -8.751 12.969 1.00 0.00 H new ATOM 526 N ARG A 37 5.649 -9.475 5.119 1.00 0.00 N ATOM 527 CA ARG A 37 5.305 -10.254 3.899 1.00 0.00 C ATOM 528 C ARG A 37 3.881 -10.800 4.020 1.00 0.00 C ATOM 529 O ARG A 37 3.294 -10.796 5.084 1.00 0.00 O ATOM 530 CB ARG A 37 6.318 -11.396 3.856 1.00 0.00 C ATOM 531 CG ARG A 37 7.342 -11.126 2.753 1.00 0.00 C ATOM 532 CD ARG A 37 7.570 -12.405 1.946 1.00 0.00 C ATOM 533 NE ARG A 37 7.932 -13.437 2.957 1.00 0.00 N ATOM 534 CZ ARG A 37 7.429 -14.638 2.874 1.00 0.00 C ATOM 535 NH1 ARG A 37 6.272 -14.900 3.418 1.00 0.00 N ATOM 536 NH2 ARG A 37 8.082 -15.577 2.245 1.00 0.00 N ATOM 0 H ARG A 37 6.177 -9.985 5.827 1.00 0.00 H new ATOM 0 HA ARG A 37 5.343 -9.649 2.993 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.820 -11.488 4.819 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.809 -12.342 3.671 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.987 -10.329 2.099 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.281 -10.786 3.189 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.674 -12.689 1.395 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.366 -12.273 1.213 1.00 0.00 H new ATOM 0 HE ARG A 37 8.574 -13.205 3.715 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.761 -14.166 3.908 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.879 -15.839 3.353 1.00 0.00 H new ATOM 0 HH21 ARG A 37 8.986 -15.372 1.818 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.689 -16.516 2.180 1.00 0.00 H new ATOM 550 N ALA A 38 3.316 -11.264 2.942 1.00 0.00 N ATOM 551 CA ALA A 38 1.928 -11.802 3.005 1.00 0.00 C ATOM 552 C ALA A 38 1.812 -13.071 2.156 1.00 0.00 C ATOM 553 O ALA A 38 2.635 -13.339 1.305 1.00 0.00 O ATOM 554 CB ALA A 38 1.052 -10.687 2.436 1.00 0.00 C ATOM 0 H ALA A 38 3.753 -11.294 2.021 1.00 0.00 H new ATOM 0 HA ALA A 38 1.633 -12.076 4.018 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.009 -11.003 2.446 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.165 -9.789 3.044 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.356 -10.472 1.411 1.00 0.00 H new ATOM 560 N SER A 39 0.793 -13.857 2.384 1.00 0.00 N ATOM 561 CA SER A 39 0.625 -15.109 1.593 1.00 0.00 C ATOM 562 C SER A 39 0.715 -14.807 0.096 1.00 0.00 C ATOM 563 O SER A 39 1.244 -15.583 -0.674 1.00 0.00 O ATOM 564 CB SER A 39 -0.768 -15.622 1.954 1.00 0.00 C ATOM 565 OG SER A 39 -0.655 -16.622 2.957 1.00 0.00 O ATOM 0 H SER A 39 0.071 -13.685 3.084 1.00 0.00 H new ATOM 0 HA SER A 39 1.400 -15.843 1.814 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.389 -14.801 2.311 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.258 -16.031 1.070 1.00 0.00 H new ATOM 0 HG SER A 39 -1.547 -16.952 3.192 1.00 0.00 H new ATOM 571 N SER A 40 0.203 -13.684 -0.322 1.00 0.00 N ATOM 572 CA SER A 40 0.257 -13.331 -1.770 1.00 0.00 C ATOM 573 C SER A 40 -0.049 -11.844 -1.965 1.00 0.00 C ATOM 574 O SER A 40 -0.278 -11.118 -1.018 1.00 0.00 O ATOM 575 CB SER A 40 -0.819 -14.192 -2.427 1.00 0.00 C ATOM 576 OG SER A 40 -0.620 -15.553 -2.062 1.00 0.00 O ATOM 0 H SER A 40 -0.251 -12.994 0.276 1.00 0.00 H new ATOM 0 HA SER A 40 1.242 -13.510 -2.202 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.809 -13.860 -2.113 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.776 -14.084 -3.511 1.00 0.00 H new ATOM 0 HG SER A 40 0.340 -15.739 -2.003 1.00 0.00 H new ATOM 582 N ASP A 41 -0.058 -11.384 -3.187 1.00 0.00 N ATOM 583 CA ASP A 41 -0.351 -9.945 -3.441 1.00 0.00 C ATOM 584 C ASP A 41 -1.578 -9.510 -2.635 1.00 0.00 C ATOM 585 O ASP A 41 -1.694 -8.371 -2.227 1.00 0.00 O ATOM 586 CB ASP A 41 -0.633 -9.855 -4.941 1.00 0.00 C ATOM 587 CG ASP A 41 0.510 -10.515 -5.716 1.00 0.00 C ATOM 588 OD1 ASP A 41 1.653 -10.211 -5.419 1.00 0.00 O ATOM 589 OD2 ASP A 41 0.221 -11.311 -6.594 1.00 0.00 O ATOM 0 H ASP A 41 0.125 -11.943 -4.020 1.00 0.00 H new ATOM 0 HA ASP A 41 0.472 -9.295 -3.144 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.577 -10.348 -5.175 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.735 -8.812 -5.241 1.00 0.00 H new ATOM 594 N ASN A 42 -2.494 -10.409 -2.402 1.00 0.00 N ATOM 595 CA ASN A 42 -3.711 -10.050 -1.620 1.00 0.00 C ATOM 596 C ASN A 42 -3.426 -10.174 -0.121 1.00 0.00 C ATOM 597 O ASN A 42 -3.260 -11.260 0.398 1.00 0.00 O ATOM 598 CB ASN A 42 -4.771 -11.068 -2.046 1.00 0.00 C ATOM 599 CG ASN A 42 -5.970 -10.992 -1.099 1.00 0.00 C ATOM 600 OD1 ASN A 42 -5.993 -10.185 -0.192 1.00 0.00 O ATOM 601 ND2 ASN A 42 -6.975 -11.807 -1.273 1.00 0.00 N ATOM 0 H ASN A 42 -2.453 -11.377 -2.719 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.033 -9.025 -1.803 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -5.090 -10.868 -3.069 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.349 -12.073 -2.034 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.779 -11.766 -0.647 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.956 -12.485 -2.035 1.00 0.00 H new ATOM 608 N HIS A 43 -3.372 -9.075 0.583 1.00 0.00 N ATOM 609 CA HIS A 43 -3.103 -9.154 2.047 1.00 0.00 C ATOM 610 C HIS A 43 -3.829 -8.036 2.791 1.00 0.00 C ATOM 611 O HIS A 43 -4.458 -7.181 2.199 1.00 0.00 O ATOM 612 CB HIS A 43 -1.586 -9.002 2.207 1.00 0.00 C ATOM 613 CG HIS A 43 -1.040 -7.979 1.242 1.00 0.00 C ATOM 614 ND1 HIS A 43 -1.002 -6.622 1.533 1.00 0.00 N ATOM 615 CD2 HIS A 43 -0.456 -8.111 0.008 1.00 0.00 C ATOM 616 CE1 HIS A 43 -0.403 -5.999 0.496 1.00 0.00 C ATOM 617 NE2 HIS A 43 -0.055 -6.862 -0.462 1.00 0.00 N ATOM 0 H HIS A 43 -3.501 -8.134 0.211 1.00 0.00 H new ATOM 0 HA HIS A 43 -3.458 -10.097 2.463 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.353 -8.704 3.229 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.101 -9.963 2.037 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.326 -9.044 -0.521 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.227 -4.935 0.447 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.405 -6.652 -1.348 1.00 0.00 H new ATOM 625 N SER A 44 -3.744 -8.039 4.093 1.00 0.00 N ATOM 626 CA SER A 44 -4.423 -6.980 4.886 1.00 0.00 C ATOM 627 C SER A 44 -3.601 -5.694 4.840 1.00 0.00 C ATOM 628 O SER A 44 -2.422 -5.693 5.136 1.00 0.00 O ATOM 629 CB SER A 44 -4.478 -7.524 6.312 1.00 0.00 C ATOM 630 OG SER A 44 -3.187 -7.984 6.689 1.00 0.00 O ATOM 0 H SER A 44 -3.233 -8.731 4.641 1.00 0.00 H new ATOM 0 HA SER A 44 -5.416 -6.746 4.502 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.814 -6.746 6.998 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.200 -8.338 6.375 1.00 0.00 H new ATOM 0 HG SER A 44 -2.507 -7.366 6.348 1.00 0.00 H new ATOM 636 N CYS A 45 -4.204 -4.596 4.482 1.00 0.00 N ATOM 637 CA CYS A 45 -3.436 -3.322 4.435 1.00 0.00 C ATOM 638 C CYS A 45 -4.054 -2.295 5.378 1.00 0.00 C ATOM 639 O CYS A 45 -5.144 -2.472 5.894 1.00 0.00 O ATOM 640 CB CYS A 45 -3.497 -2.832 2.985 1.00 0.00 C ATOM 641 SG CYS A 45 -5.166 -3.050 2.316 1.00 0.00 S ATOM 0 H CYS A 45 -5.188 -4.525 4.222 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.404 -3.469 4.754 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.213 -1.781 2.937 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -2.780 -3.384 2.377 1.00 0.00 H new ATOM 646 N ALA A 46 -3.357 -1.224 5.612 1.00 0.00 N ATOM 647 CA ALA A 46 -3.883 -0.180 6.533 1.00 0.00 C ATOM 648 C ALA A 46 -4.261 -0.826 7.866 1.00 0.00 C ATOM 649 O ALA A 46 -5.349 -0.638 8.374 1.00 0.00 O ATOM 650 CB ALA A 46 -5.122 0.379 5.834 1.00 0.00 C ATOM 0 H ALA A 46 -2.443 -1.024 5.205 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.155 0.603 6.744 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.569 1.157 6.453 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.837 0.801 4.870 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.845 -0.422 5.680 1.00 0.00 H new ATOM 656 N GLY A 47 -3.373 -1.598 8.432 1.00 0.00 N ATOM 657 CA GLY A 47 -3.685 -2.268 9.726 1.00 0.00 C ATOM 658 C GLY A 47 -4.960 -3.094 9.558 1.00 0.00 C ATOM 659 O GLY A 47 -5.257 -3.578 8.485 1.00 0.00 O ATOM 0 H GLY A 47 -2.446 -1.793 8.054 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.857 -2.909 10.028 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.817 -1.526 10.513 1.00 0.00 H new ATOM 663 N ASN A 48 -5.720 -3.256 10.605 1.00 0.00 N ATOM 664 CA ASN A 48 -6.974 -4.043 10.494 1.00 0.00 C ATOM 665 C ASN A 48 -8.120 -3.142 10.024 1.00 0.00 C ATOM 666 O ASN A 48 -9.248 -3.283 10.452 1.00 0.00 O ATOM 667 CB ASN A 48 -7.244 -4.565 11.905 1.00 0.00 C ATOM 668 CG ASN A 48 -8.131 -5.808 11.829 1.00 0.00 C ATOM 669 OD1 ASN A 48 -7.701 -6.849 11.370 1.00 0.00 O ATOM 670 ND2 ASN A 48 -9.361 -5.746 12.263 1.00 0.00 N ATOM 0 H ASN A 48 -5.525 -2.877 11.531 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.890 -4.855 9.772 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.304 -4.806 12.401 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -7.731 -3.794 12.502 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -9.960 -6.570 12.217 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.723 -4.873 12.648 1.00 0.00 H new ATOM 677 N ARG A 49 -7.837 -2.210 9.153 1.00 0.00 N ATOM 678 CA ARG A 49 -8.905 -1.295 8.665 1.00 0.00 C ATOM 679 C ARG A 49 -9.181 -1.525 7.177 1.00 0.00 C ATOM 680 O ARG A 49 -10.296 -1.377 6.717 1.00 0.00 O ATOM 681 CB ARG A 49 -8.345 0.108 8.893 1.00 0.00 C ATOM 682 CG ARG A 49 -8.565 0.517 10.350 1.00 0.00 C ATOM 683 CD ARG A 49 -9.340 1.835 10.401 1.00 0.00 C ATOM 684 NE ARG A 49 -9.184 2.319 11.801 1.00 0.00 N ATOM 685 CZ ARG A 49 -8.698 3.508 12.031 1.00 0.00 C ATOM 686 NH1 ARG A 49 -7.411 3.712 11.958 1.00 0.00 N ATOM 687 NH2 ARG A 49 -9.498 4.494 12.332 1.00 0.00 N ATOM 0 H ARG A 49 -6.911 -2.044 8.759 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.851 -1.456 9.183 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.281 0.129 8.655 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -8.835 0.819 8.227 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.116 -0.261 10.878 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.606 0.627 10.856 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -8.941 2.556 9.687 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.390 1.686 10.150 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.457 1.721 12.581 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -6.785 2.942 11.721 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -7.031 4.641 12.138 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.504 4.336 12.388 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.117 5.423 12.512 1.00 0.00 H new ATOM 701 N GLY A 50 -8.181 -1.877 6.414 1.00 0.00 N ATOM 702 CA GLY A 50 -8.411 -2.100 4.958 1.00 0.00 C ATOM 703 C GLY A 50 -7.882 -3.475 4.544 1.00 0.00 C ATOM 704 O GLY A 50 -7.176 -4.133 5.282 1.00 0.00 O ATOM 0 H GLY A 50 -7.223 -2.019 6.733 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.476 -2.030 4.736 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.913 -1.322 4.380 1.00 0.00 H new ATOM 708 N TRP A 51 -8.224 -3.910 3.362 1.00 0.00 N ATOM 709 CA TRP A 51 -7.755 -5.239 2.876 1.00 0.00 C ATOM 710 C TRP A 51 -7.438 -5.147 1.381 1.00 0.00 C ATOM 711 O TRP A 51 -7.740 -4.161 0.741 1.00 0.00 O ATOM 712 CB TRP A 51 -8.939 -6.179 3.111 1.00 0.00 C ATOM 713 CG TRP A 51 -8.695 -7.027 4.318 1.00 0.00 C ATOM 714 CD1 TRP A 51 -9.365 -6.923 5.489 1.00 0.00 C ATOM 715 CD2 TRP A 51 -7.738 -8.110 4.488 1.00 0.00 C ATOM 716 NE1 TRP A 51 -8.878 -7.875 6.368 1.00 0.00 N ATOM 717 CE2 TRP A 51 -7.873 -8.630 5.797 1.00 0.00 C ATOM 718 CE3 TRP A 51 -6.774 -8.685 3.643 1.00 0.00 C ATOM 719 CZ2 TRP A 51 -7.080 -9.686 6.250 1.00 0.00 C ATOM 720 CZ3 TRP A 51 -5.974 -9.745 4.094 1.00 0.00 C ATOM 721 CH2 TRP A 51 -6.126 -10.245 5.395 1.00 0.00 C ATOM 0 H TRP A 51 -8.813 -3.397 2.707 1.00 0.00 H new ATOM 0 HA TRP A 51 -6.854 -5.584 3.384 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -9.852 -5.599 3.244 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -9.088 -6.813 2.237 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -10.151 -6.214 5.703 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -9.220 -8.003 7.321 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -6.648 -8.308 2.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -7.203 -10.068 7.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -5.236 -10.179 3.435 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -5.507 -11.061 5.736 1.00 0.00 H new ATOM 732 N CYS A 52 -6.840 -6.158 0.809 1.00 0.00 N ATOM 733 CA CYS A 52 -6.529 -6.091 -0.649 1.00 0.00 C ATOM 734 C CYS A 52 -7.271 -7.191 -1.411 1.00 0.00 C ATOM 735 O CYS A 52 -7.009 -8.365 -1.245 1.00 0.00 O ATOM 736 CB CYS A 52 -5.020 -6.281 -0.753 1.00 0.00 C ATOM 737 SG CYS A 52 -4.272 -4.700 -1.167 1.00 0.00 S ATOM 0 H CYS A 52 -6.556 -7.017 1.281 1.00 0.00 H new ATOM 0 HA CYS A 52 -6.845 -5.144 -1.087 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -4.620 -6.654 0.190 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.784 -7.023 -1.516 1.00 0.00 H new ATOM 742 N ARG A 53 -8.194 -6.810 -2.252 1.00 0.00 N ATOM 743 CA ARG A 53 -8.963 -7.817 -3.041 1.00 0.00 C ATOM 744 C ARG A 53 -9.005 -7.387 -4.507 1.00 0.00 C ATOM 745 O ARG A 53 -8.752 -6.244 -4.830 1.00 0.00 O ATOM 746 CB ARG A 53 -10.384 -7.807 -2.463 1.00 0.00 C ATOM 747 CG ARG A 53 -10.357 -7.578 -0.951 1.00 0.00 C ATOM 748 CD ARG A 53 -10.777 -6.138 -0.667 1.00 0.00 C ATOM 749 NE ARG A 53 -10.543 -5.947 0.791 1.00 0.00 N ATOM 750 CZ ARG A 53 -11.309 -6.550 1.658 1.00 0.00 C ATOM 751 NH1 ARG A 53 -11.044 -7.777 2.020 1.00 0.00 N ATOM 752 NH2 ARG A 53 -12.338 -5.928 2.165 1.00 0.00 N ATOM 0 H ARG A 53 -8.450 -5.839 -2.428 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.512 -8.808 -2.986 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.971 -7.024 -2.943 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.877 -8.754 -2.683 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.031 -8.274 -0.451 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.358 -7.765 -0.558 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.191 -5.433 -1.256 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -11.824 -5.975 -0.923 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.784 -5.345 1.112 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.239 -8.263 1.625 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.642 -8.249 2.698 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -12.544 -4.970 1.884 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -12.936 -6.400 2.843 1.00 0.00 H new ATOM 766 N SER A 54 -9.339 -8.277 -5.400 1.00 0.00 N ATOM 767 CA SER A 54 -9.410 -7.877 -6.831 1.00 0.00 C ATOM 768 C SER A 54 -10.264 -6.617 -6.940 1.00 0.00 C ATOM 769 O SER A 54 -9.895 -5.647 -7.570 1.00 0.00 O ATOM 770 CB SER A 54 -10.082 -9.051 -7.544 1.00 0.00 C ATOM 771 OG SER A 54 -11.485 -8.990 -7.324 1.00 0.00 O ATOM 0 H SER A 54 -9.563 -9.252 -5.203 1.00 0.00 H new ATOM 0 HA SER A 54 -8.434 -7.661 -7.266 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.867 -9.014 -8.612 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.684 -9.995 -7.171 1.00 0.00 H new ATOM 0 HG SER A 54 -11.921 -9.740 -7.781 1.00 0.00 H new ATOM 777 N LYS A 55 -11.403 -6.634 -6.314 1.00 0.00 N ATOM 778 CA LYS A 55 -12.303 -5.456 -6.345 1.00 0.00 C ATOM 779 C LYS A 55 -12.701 -5.049 -4.931 1.00 0.00 C ATOM 780 O LYS A 55 -12.306 -5.659 -3.957 1.00 0.00 O ATOM 781 CB LYS A 55 -13.526 -5.922 -7.121 1.00 0.00 C ATOM 782 CG LYS A 55 -13.312 -5.559 -8.574 1.00 0.00 C ATOM 783 CD LYS A 55 -14.410 -4.597 -9.035 1.00 0.00 C ATOM 784 CE LYS A 55 -15.697 -5.381 -9.300 1.00 0.00 C ATOM 785 NZ LYS A 55 -16.752 -4.657 -8.539 1.00 0.00 N ATOM 0 H LYS A 55 -11.753 -7.426 -5.775 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.826 -4.588 -6.801 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -13.662 -6.998 -7.011 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -14.428 -5.446 -6.736 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.333 -5.097 -8.703 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -13.323 -6.459 -9.189 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -14.585 -3.836 -8.274 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -14.096 -4.076 -9.940 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -15.929 -5.411 -10.365 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -15.606 -6.414 -8.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -17.666 -5.136 -8.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -16.508 -4.650 -7.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -16.820 -3.679 -8.885 1.00 0.00 H new ATOM 799 N CYS A 56 -13.489 -4.023 -4.819 1.00 0.00 N ATOM 800 CA CYS A 56 -13.930 -3.568 -3.468 1.00 0.00 C ATOM 801 C CYS A 56 -15.459 -3.593 -3.379 1.00 0.00 C ATOM 802 O CYS A 56 -16.145 -3.752 -4.369 1.00 0.00 O ATOM 803 CB CYS A 56 -13.408 -2.138 -3.329 1.00 0.00 C ATOM 804 SG CYS A 56 -11.666 -2.080 -3.814 1.00 0.00 S ATOM 0 H CYS A 56 -13.849 -3.477 -5.601 1.00 0.00 H new ATOM 0 HA CYS A 56 -13.551 -4.212 -2.675 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -13.993 -1.464 -3.955 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -13.521 -1.797 -2.300 1.00 0.00 H new ATOM 809 N PHE A 57 -15.997 -3.436 -2.201 1.00 0.00 N ATOM 810 CA PHE A 57 -17.480 -3.450 -2.056 1.00 0.00 C ATOM 811 C PHE A 57 -18.060 -2.094 -2.456 1.00 0.00 C ATOM 812 O PHE A 57 -17.360 -1.226 -2.940 1.00 0.00 O ATOM 813 CB PHE A 57 -17.735 -3.725 -0.574 1.00 0.00 C ATOM 814 CG PHE A 57 -17.686 -5.213 -0.321 1.00 0.00 C ATOM 815 CD1 PHE A 57 -16.653 -5.984 -0.870 1.00 0.00 C ATOM 816 CD2 PHE A 57 -18.675 -5.823 0.460 1.00 0.00 C ATOM 817 CE1 PHE A 57 -16.610 -7.364 -0.635 1.00 0.00 C ATOM 818 CE2 PHE A 57 -18.631 -7.203 0.693 1.00 0.00 C ATOM 819 CZ PHE A 57 -17.598 -7.973 0.146 1.00 0.00 C ATOM 0 H PHE A 57 -15.476 -3.299 -1.335 1.00 0.00 H new ATOM 0 HA PHE A 57 -17.949 -4.199 -2.694 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -16.987 -3.217 0.035 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -18.707 -3.328 -0.282 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -15.891 -5.515 -1.474 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -19.472 -5.229 0.883 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -15.813 -7.959 -1.057 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -19.394 -7.673 1.295 1.00 0.00 H new ATOM 0 HZ PHE A 57 -17.564 -9.037 0.327 1.00 0.00 H new ATOM 829 N ARG A 58 -19.334 -1.905 -2.263 1.00 0.00 N ATOM 830 CA ARG A 58 -19.960 -0.611 -2.635 1.00 0.00 C ATOM 831 C ARG A 58 -19.788 0.405 -1.504 1.00 0.00 C ATOM 832 O ARG A 58 -19.584 1.580 -1.737 1.00 0.00 O ATOM 833 CB ARG A 58 -21.438 -0.936 -2.849 1.00 0.00 C ATOM 834 CG ARG A 58 -21.996 -0.069 -3.979 1.00 0.00 C ATOM 835 CD ARG A 58 -23.073 -0.851 -4.735 1.00 0.00 C ATOM 836 NE ARG A 58 -22.833 -0.542 -6.172 1.00 0.00 N ATOM 837 CZ ARG A 58 -23.236 -1.373 -7.094 1.00 0.00 C ATOM 838 NH1 ARG A 58 -23.015 -2.653 -6.961 1.00 0.00 N ATOM 839 NH2 ARG A 58 -23.860 -0.926 -8.149 1.00 0.00 N ATOM 0 H ARG A 58 -19.970 -2.595 -1.862 1.00 0.00 H new ATOM 0 HA ARG A 58 -19.507 -0.172 -3.524 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -21.557 -1.991 -3.094 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -21.997 -0.757 -1.930 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -22.417 0.851 -3.573 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -21.195 0.220 -4.660 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -22.993 -1.921 -4.542 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -24.073 -0.545 -4.427 1.00 0.00 H new ATOM 0 HE ARG A 58 -22.354 0.319 -6.435 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -22.527 -3.003 -6.136 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -23.330 -3.303 -7.682 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -24.033 0.074 -8.254 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -24.175 -1.576 -8.869 1.00 0.00 H new ATOM 853 N HIS A 59 -19.865 -0.039 -0.281 1.00 0.00 N ATOM 854 CA HIS A 59 -19.701 0.898 0.863 1.00 0.00 C ATOM 855 C HIS A 59 -18.216 1.194 1.090 1.00 0.00 C ATOM 856 O HIS A 59 -17.843 1.860 2.035 1.00 0.00 O ATOM 857 CB HIS A 59 -20.291 0.162 2.066 1.00 0.00 C ATOM 858 CG HIS A 59 -21.022 1.138 2.946 1.00 0.00 C ATOM 859 ND1 HIS A 59 -20.387 2.215 3.541 1.00 0.00 N ATOM 860 CD2 HIS A 59 -22.335 1.211 3.342 1.00 0.00 C ATOM 861 CE1 HIS A 59 -21.309 2.886 4.256 1.00 0.00 C ATOM 862 NE2 HIS A 59 -22.513 2.316 4.169 1.00 0.00 N ATOM 0 H HIS A 59 -20.035 -1.012 -0.025 1.00 0.00 H new ATOM 0 HA HIS A 59 -20.195 1.854 0.690 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -20.972 -0.620 1.729 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -19.498 -0.328 2.630 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -19.400 2.456 3.453 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -23.111 0.517 3.055 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -21.100 3.777 4.830 1.00 0.00 H new ATOM 870 N GLU A 60 -17.366 0.700 0.231 1.00 0.00 N ATOM 871 CA GLU A 60 -15.908 0.950 0.402 1.00 0.00 C ATOM 872 C GLU A 60 -15.304 1.487 -0.898 1.00 0.00 C ATOM 873 O GLU A 60 -15.999 1.722 -1.866 1.00 0.00 O ATOM 874 CB GLU A 60 -15.316 -0.419 0.734 1.00 0.00 C ATOM 875 CG GLU A 60 -15.370 -0.647 2.246 1.00 0.00 C ATOM 876 CD GLU A 60 -14.681 -1.970 2.589 1.00 0.00 C ATOM 877 OE1 GLU A 60 -14.174 -2.604 1.680 1.00 0.00 O ATOM 878 OE2 GLU A 60 -14.672 -2.324 3.757 1.00 0.00 O ATOM 0 H GLU A 60 -17.618 0.135 -0.580 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.704 1.689 1.176 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.872 -1.202 0.218 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.285 -0.476 0.384 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -14.880 0.176 2.766 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -16.406 -0.666 2.585 1.00 0.00 H new ATOM 885 N TYR A 61 -14.014 1.672 -0.927 1.00 0.00 N ATOM 886 CA TYR A 61 -13.361 2.181 -2.166 1.00 0.00 C ATOM 887 C TYR A 61 -12.025 1.474 -2.375 1.00 0.00 C ATOM 888 O TYR A 61 -11.761 0.439 -1.797 1.00 0.00 O ATOM 889 CB TYR A 61 -13.144 3.678 -1.936 1.00 0.00 C ATOM 890 CG TYR A 61 -12.148 3.891 -0.819 1.00 0.00 C ATOM 891 CD1 TYR A 61 -12.484 3.545 0.495 1.00 0.00 C ATOM 892 CD2 TYR A 61 -10.889 4.439 -1.098 1.00 0.00 C ATOM 893 CE1 TYR A 61 -11.563 3.747 1.530 1.00 0.00 C ATOM 894 CE2 TYR A 61 -9.969 4.640 -0.062 1.00 0.00 C ATOM 895 CZ TYR A 61 -10.306 4.294 1.253 1.00 0.00 C ATOM 896 OH TYR A 61 -9.399 4.493 2.273 1.00 0.00 O ATOM 0 H TYR A 61 -13.383 1.493 -0.146 1.00 0.00 H new ATOM 0 HA TYR A 61 -13.969 1.999 -3.052 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -12.782 4.146 -2.851 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -14.091 4.157 -1.686 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -13.454 3.122 0.711 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -10.628 4.706 -2.111 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -11.824 3.480 2.544 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -8.998 5.062 -0.277 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.576 4.880 1.908 1.00 0.00 H new ATOM 906 N VAL A 62 -11.180 2.025 -3.198 1.00 0.00 N ATOM 907 CA VAL A 62 -9.858 1.386 -3.447 1.00 0.00 C ATOM 908 C VAL A 62 -8.738 2.249 -2.863 1.00 0.00 C ATOM 909 O VAL A 62 -8.193 3.101 -3.533 1.00 0.00 O ATOM 910 CB VAL A 62 -9.742 1.306 -4.971 1.00 0.00 C ATOM 911 CG1 VAL A 62 -8.324 0.885 -5.365 1.00 0.00 C ATOM 912 CG2 VAL A 62 -10.740 0.274 -5.500 1.00 0.00 C ATOM 0 H VAL A 62 -11.347 2.891 -3.710 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.775 0.404 -2.981 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.958 2.285 -5.399 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -8.249 0.830 -6.451 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.609 1.617 -4.989 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -8.102 -0.092 -4.936 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.660 0.214 -6.585 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.520 -0.701 -5.066 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.752 0.573 -5.226 1.00 0.00 H new ATOM 922 N ASP A 63 -8.394 2.033 -1.621 1.00 0.00 N ATOM 923 CA ASP A 63 -7.308 2.840 -0.990 1.00 0.00 C ATOM 924 C ASP A 63 -6.149 3.029 -1.974 1.00 0.00 C ATOM 925 O ASP A 63 -5.249 2.217 -2.051 1.00 0.00 O ATOM 926 CB ASP A 63 -6.853 2.022 0.220 1.00 0.00 C ATOM 927 CG ASP A 63 -6.201 2.951 1.247 1.00 0.00 C ATOM 928 OD1 ASP A 63 -5.676 3.974 0.841 1.00 0.00 O ATOM 929 OD2 ASP A 63 -6.237 2.621 2.421 1.00 0.00 O ATOM 0 H ASP A 63 -8.819 1.331 -1.015 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.649 3.835 -0.704 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.705 1.509 0.667 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.146 1.254 -0.092 1.00 0.00 H new ATOM 934 N THR A 64 -6.169 4.092 -2.726 1.00 0.00 N ATOM 935 CA THR A 64 -5.070 4.333 -3.707 1.00 0.00 C ATOM 936 C THR A 64 -3.721 4.380 -2.988 1.00 0.00 C ATOM 937 O THR A 64 -2.689 4.085 -3.559 1.00 0.00 O ATOM 938 CB THR A 64 -5.389 5.690 -4.335 1.00 0.00 C ATOM 939 OG1 THR A 64 -6.073 6.502 -3.390 1.00 0.00 O ATOM 940 CG2 THR A 64 -6.268 5.490 -5.571 1.00 0.00 C ATOM 0 H THR A 64 -6.897 4.806 -2.706 1.00 0.00 H new ATOM 0 HA THR A 64 -5.004 3.543 -4.455 1.00 0.00 H new ATOM 0 HB THR A 64 -4.461 6.180 -4.628 1.00 0.00 H new ATOM 0 HG1 THR A 64 -7.028 6.523 -3.607 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.494 6.458 -6.017 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.740 4.871 -6.296 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.197 4.998 -5.281 1.00 0.00 H new ATOM 948 N TYR A 65 -3.722 4.753 -1.740 1.00 0.00 N ATOM 949 CA TYR A 65 -2.443 4.828 -0.978 1.00 0.00 C ATOM 950 C TYR A 65 -1.870 3.426 -0.747 1.00 0.00 C ATOM 951 O TYR A 65 -0.705 3.175 -0.987 1.00 0.00 O ATOM 952 CB TYR A 65 -2.821 5.470 0.359 1.00 0.00 C ATOM 953 CG TYR A 65 -1.592 6.049 1.029 1.00 0.00 C ATOM 954 CD1 TYR A 65 -0.313 5.786 0.515 1.00 0.00 C ATOM 955 CD2 TYR A 65 -1.734 6.847 2.169 1.00 0.00 C ATOM 956 CE1 TYR A 65 0.817 6.322 1.142 1.00 0.00 C ATOM 957 CE2 TYR A 65 -0.602 7.383 2.797 1.00 0.00 C ATOM 958 CZ TYR A 65 0.673 7.121 2.283 1.00 0.00 C ATOM 959 OH TYR A 65 1.788 7.649 2.901 1.00 0.00 O ATOM 0 H TYR A 65 -4.556 5.010 -1.212 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.682 5.397 -1.512 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.560 6.255 0.197 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -3.283 4.727 1.010 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -0.201 5.170 -0.365 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -2.718 7.050 2.566 1.00 0.00 H new ATOM 0 HE1 TYR A 65 1.801 6.119 0.746 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -0.713 7.998 3.678 1.00 0.00 H new ATOM 0 HH TYR A 65 1.511 8.180 3.677 1.00 0.00 H new ATOM 969 N TYR A 66 -2.674 2.517 -0.268 1.00 0.00 N ATOM 970 CA TYR A 66 -2.167 1.138 -0.006 1.00 0.00 C ATOM 971 C TYR A 66 -2.196 0.292 -1.283 1.00 0.00 C ATOM 972 O TYR A 66 -1.658 -0.800 -1.327 1.00 0.00 O ATOM 973 CB TYR A 66 -3.112 0.568 1.054 1.00 0.00 C ATOM 974 CG TYR A 66 -2.603 0.960 2.420 1.00 0.00 C ATOM 975 CD1 TYR A 66 -1.627 0.182 3.052 1.00 0.00 C ATOM 976 CD2 TYR A 66 -3.099 2.107 3.049 1.00 0.00 C ATOM 977 CE1 TYR A 66 -1.146 0.550 4.314 1.00 0.00 C ATOM 978 CE2 TYR A 66 -2.618 2.477 4.311 1.00 0.00 C ATOM 979 CZ TYR A 66 -1.641 1.699 4.944 1.00 0.00 C ATOM 980 OH TYR A 66 -1.167 2.063 6.187 1.00 0.00 O ATOM 0 H TYR A 66 -3.658 2.668 -0.047 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.130 1.139 0.330 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -4.122 0.949 0.904 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.165 -0.517 0.968 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.244 -0.703 2.566 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.853 2.707 2.561 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -0.393 -0.052 4.802 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.001 3.363 4.796 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.614 2.884 6.480 1.00 0.00 H new ATOM 990 N SER A 67 -2.802 0.785 -2.326 1.00 0.00 N ATOM 991 CA SER A 67 -2.838 0.001 -3.593 1.00 0.00 C ATOM 992 C SER A 67 -1.425 -0.473 -3.942 1.00 0.00 C ATOM 993 O SER A 67 -1.238 -1.434 -4.662 1.00 0.00 O ATOM 994 CB SER A 67 -3.356 0.974 -4.651 1.00 0.00 C ATOM 995 OG SER A 67 -4.582 0.486 -5.179 1.00 0.00 O ATOM 0 H SER A 67 -3.271 1.690 -2.358 1.00 0.00 H new ATOM 0 HA SER A 67 -3.469 -0.885 -3.520 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.503 1.961 -4.213 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.622 1.086 -5.449 1.00 0.00 H new ATOM 0 HG SER A 67 -4.917 1.109 -5.857 1.00 0.00 H new ATOM 1001 N ALA A 68 -0.428 0.199 -3.429 1.00 0.00 N ATOM 1002 CA ALA A 68 0.977 -0.204 -3.721 1.00 0.00 C ATOM 1003 C ALA A 68 1.282 -1.565 -3.088 1.00 0.00 C ATOM 1004 O ALA A 68 1.434 -2.555 -3.774 1.00 0.00 O ATOM 1005 CB ALA A 68 1.842 0.890 -3.093 1.00 0.00 C ATOM 0 H ALA A 68 -0.528 1.011 -2.819 1.00 0.00 H new ATOM 0 HA ALA A 68 1.164 -0.306 -4.790 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.895 0.665 -3.265 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.598 1.851 -3.545 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.651 0.934 -2.021 1.00 0.00 H new ATOM 1011 N VAL A 69 1.374 -1.628 -1.783 1.00 0.00 N ATOM 1012 CA VAL A 69 1.669 -2.935 -1.130 1.00 0.00 C ATOM 1013 C VAL A 69 0.789 -4.020 -1.749 1.00 0.00 C ATOM 1014 O VAL A 69 1.134 -5.184 -1.758 1.00 0.00 O ATOM 1015 CB VAL A 69 1.338 -2.739 0.354 1.00 0.00 C ATOM 1016 CG1 VAL A 69 -0.164 -2.545 0.533 1.00 0.00 C ATOM 1017 CG2 VAL A 69 1.788 -3.964 1.146 1.00 0.00 C ATOM 0 H VAL A 69 1.258 -0.838 -1.149 1.00 0.00 H new ATOM 0 HA VAL A 69 2.706 -3.244 -1.261 1.00 0.00 H new ATOM 0 HB VAL A 69 1.860 -1.855 0.719 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.390 -2.407 1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.486 -1.666 -0.025 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.691 -3.424 0.162 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.552 -3.822 2.201 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.271 -4.848 0.774 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.864 -4.097 1.030 1.00 0.00 H new ATOM 1027 N CYS A 70 -0.342 -3.641 -2.278 1.00 0.00 N ATOM 1028 CA CYS A 70 -1.243 -4.645 -2.909 1.00 0.00 C ATOM 1029 C CYS A 70 -0.546 -5.296 -4.108 1.00 0.00 C ATOM 1030 O CYS A 70 -0.221 -6.466 -4.088 1.00 0.00 O ATOM 1031 CB CYS A 70 -2.462 -3.845 -3.364 1.00 0.00 C ATOM 1032 SG CYS A 70 -3.944 -4.839 -3.146 1.00 0.00 S ATOM 0 H CYS A 70 -0.681 -2.679 -2.300 1.00 0.00 H new ATOM 0 HA CYS A 70 -1.515 -5.449 -2.226 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.541 -2.923 -2.788 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -2.353 -3.559 -4.410 1.00 0.00 H new ATOM 1037 N GLY A 71 -0.308 -4.545 -5.149 1.00 0.00 N ATOM 1038 CA GLY A 71 0.376 -5.122 -6.344 1.00 0.00 C ATOM 1039 C GLY A 71 -0.664 -5.589 -7.365 1.00 0.00 C ATOM 1040 O GLY A 71 -1.153 -4.816 -8.165 1.00 0.00 O ATOM 0 H GLY A 71 -0.557 -3.559 -5.225 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.031 -4.376 -6.794 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.006 -5.960 -6.044 1.00 0.00 H new ATOM 1044 N ARG A 72 -1.000 -6.851 -7.350 1.00 0.00 N ATOM 1045 CA ARG A 72 -2.001 -7.369 -8.327 1.00 0.00 C ATOM 1046 C ARG A 72 -3.387 -6.797 -8.025 1.00 0.00 C ATOM 1047 O ARG A 72 -4.012 -6.178 -8.864 1.00 0.00 O ATOM 1048 CB ARG A 72 -1.994 -8.886 -8.134 1.00 0.00 C ATOM 1049 CG ARG A 72 -1.831 -9.573 -9.491 1.00 0.00 C ATOM 1050 CD ARG A 72 -3.171 -10.169 -9.927 1.00 0.00 C ATOM 1051 NE ARG A 72 -3.021 -10.423 -11.387 1.00 0.00 N ATOM 1052 CZ ARG A 72 -4.074 -10.666 -12.118 1.00 0.00 C ATOM 1053 NH1 ARG A 72 -4.808 -9.678 -12.553 1.00 0.00 N ATOM 1054 NH2 ARG A 72 -4.392 -11.895 -12.415 1.00 0.00 N ATOM 0 H ARG A 72 -0.625 -7.545 -6.704 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.760 -7.086 -9.351 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.181 -9.175 -7.468 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.922 -9.207 -7.661 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.481 -8.856 -10.234 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -1.077 -10.357 -9.425 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -3.388 -11.090 -9.386 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -3.993 -9.481 -9.728 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.095 -10.407 -11.815 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.558 -8.717 -12.321 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.631 -9.867 -13.125 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.818 -12.667 -12.076 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.215 -12.085 -12.986 1.00 0.00 H new ATOM 1068 N TYR A 73 -3.873 -6.999 -6.833 1.00 0.00 N ATOM 1069 CA TYR A 73 -5.219 -6.466 -6.479 1.00 0.00 C ATOM 1070 C TYR A 73 -5.092 -5.049 -5.918 1.00 0.00 C ATOM 1071 O TYR A 73 -4.044 -4.436 -5.985 1.00 0.00 O ATOM 1072 CB TYR A 73 -5.752 -7.415 -5.405 1.00 0.00 C ATOM 1073 CG TYR A 73 -5.614 -8.842 -5.878 1.00 0.00 C ATOM 1074 CD1 TYR A 73 -6.201 -9.243 -7.084 1.00 0.00 C ATOM 1075 CD2 TYR A 73 -4.899 -9.766 -5.108 1.00 0.00 C ATOM 1076 CE1 TYR A 73 -6.074 -10.567 -7.518 1.00 0.00 C ATOM 1077 CE2 TYR A 73 -4.771 -11.090 -5.542 1.00 0.00 C ATOM 1078 CZ TYR A 73 -5.358 -11.491 -6.747 1.00 0.00 C ATOM 1079 OH TYR A 73 -5.230 -12.797 -7.176 1.00 0.00 O ATOM 0 H TYR A 73 -3.398 -7.509 -6.089 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.881 -6.412 -7.343 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.201 -7.274 -4.475 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -6.797 -7.191 -5.193 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.752 -8.530 -7.680 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.446 -9.457 -4.178 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -6.528 -10.876 -8.448 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -4.219 -11.802 -4.947 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.703 -13.305 -6.525 1.00 0.00 H new ATOM 1089 N PHE A 74 -6.148 -4.528 -5.359 1.00 0.00 N ATOM 1090 CA PHE A 74 -6.083 -3.153 -4.786 1.00 0.00 C ATOM 1091 C PHE A 74 -6.484 -3.189 -3.311 1.00 0.00 C ATOM 1092 O PHE A 74 -7.281 -4.007 -2.895 1.00 0.00 O ATOM 1093 CB PHE A 74 -7.089 -2.314 -5.585 1.00 0.00 C ATOM 1094 CG PHE A 74 -7.106 -2.750 -7.033 1.00 0.00 C ATOM 1095 CD1 PHE A 74 -7.907 -3.827 -7.429 1.00 0.00 C ATOM 1096 CD2 PHE A 74 -6.326 -2.074 -7.978 1.00 0.00 C ATOM 1097 CE1 PHE A 74 -7.929 -4.229 -8.769 1.00 0.00 C ATOM 1098 CE2 PHE A 74 -6.347 -2.476 -9.320 1.00 0.00 C ATOM 1099 CZ PHE A 74 -7.149 -3.553 -9.715 1.00 0.00 C ATOM 0 H PHE A 74 -7.052 -4.993 -5.274 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.078 -2.736 -4.848 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -8.085 -2.421 -5.155 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -6.825 -1.258 -5.519 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -8.509 -4.348 -6.699 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -5.708 -1.243 -7.673 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.547 -5.060 -9.073 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.745 -1.955 -10.049 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.166 -3.863 -10.750 1.00 0.00 H new ATOM 1109 N CYS A 75 -5.946 -2.308 -2.517 1.00 0.00 N ATOM 1110 CA CYS A 75 -6.307 -2.295 -1.071 1.00 0.00 C ATOM 1111 C CYS A 75 -7.571 -1.460 -0.861 1.00 0.00 C ATOM 1112 O CYS A 75 -7.521 -0.247 -0.834 1.00 0.00 O ATOM 1113 CB CYS A 75 -5.115 -1.647 -0.367 1.00 0.00 C ATOM 1114 SG CYS A 75 -5.546 -1.311 1.360 1.00 0.00 S ATOM 0 H CYS A 75 -5.273 -1.597 -2.804 1.00 0.00 H new ATOM 0 HA CYS A 75 -6.510 -3.294 -0.684 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -4.248 -2.306 -0.415 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -4.840 -0.721 -0.872 1.00 0.00 H new ATOM 1119 N CYS A 76 -8.703 -2.092 -0.714 1.00 0.00 N ATOM 1120 CA CYS A 76 -9.957 -1.315 -0.511 1.00 0.00 C ATOM 1121 C CYS A 76 -10.052 -0.856 0.944 1.00 0.00 C ATOM 1122 O CYS A 76 -9.358 -1.354 1.809 1.00 0.00 O ATOM 1123 CB CYS A 76 -11.096 -2.279 -0.849 1.00 0.00 C ATOM 1124 SG CYS A 76 -10.719 -3.154 -2.389 1.00 0.00 S ATOM 0 H CYS A 76 -8.813 -3.106 -0.726 1.00 0.00 H new ATOM 0 HA CYS A 76 -9.994 -0.422 -1.135 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -11.233 -2.994 -0.038 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -12.032 -1.730 -0.951 1.00 0.00 H new ATOM 1129 N ARG A 77 -10.898 0.095 1.221 1.00 0.00 N ATOM 1130 CA ARG A 77 -11.026 0.586 2.623 1.00 0.00 C ATOM 1131 C ARG A 77 -12.419 1.173 2.859 1.00 0.00 C ATOM 1132 O ARG A 77 -13.231 1.252 1.959 1.00 0.00 O ATOM 1133 CB ARG A 77 -9.960 1.676 2.754 1.00 0.00 C ATOM 1134 CG ARG A 77 -8.687 1.081 3.359 1.00 0.00 C ATOM 1135 CD ARG A 77 -8.042 2.103 4.297 1.00 0.00 C ATOM 1136 NE ARG A 77 -9.059 2.349 5.356 1.00 0.00 N ATOM 1137 CZ ARG A 77 -8.721 2.968 6.454 1.00 0.00 C ATOM 1138 NH1 ARG A 77 -7.766 2.490 7.204 1.00 0.00 N ATOM 1139 NH2 ARG A 77 -9.339 4.063 6.805 1.00 0.00 N ATOM 0 H ARG A 77 -11.505 0.553 0.541 1.00 0.00 H new ATOM 0 HA ARG A 77 -10.893 -0.213 3.353 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.743 2.106 1.776 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -10.329 2.486 3.383 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -8.924 0.168 3.906 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -7.989 0.807 2.568 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.115 1.719 4.722 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.793 3.023 3.768 1.00 0.00 H new ATOM 0 HE ARG A 77 -10.020 2.034 5.223 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.284 1.633 6.932 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -7.501 2.973 8.062 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -10.087 4.436 6.221 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -9.074 4.546 7.664 1.00 0.00 H new ATOM 1153 N SER A 78 -12.698 1.587 4.064 1.00 0.00 N ATOM 1154 CA SER A 78 -14.038 2.172 4.359 1.00 0.00 C ATOM 1155 C SER A 78 -13.933 3.694 4.487 1.00 0.00 C ATOM 1156 O SER A 78 -13.632 4.219 5.540 1.00 0.00 O ATOM 1157 CB SER A 78 -14.459 1.550 5.690 1.00 0.00 C ATOM 1158 OG SER A 78 -15.812 1.891 5.960 1.00 0.00 O ATOM 0 H SER A 78 -12.058 1.546 4.857 1.00 0.00 H new ATOM 0 HA SER A 78 -14.760 1.968 3.569 1.00 0.00 H new ATOM 0 HB2 SER A 78 -14.346 0.467 5.650 1.00 0.00 H new ATOM 0 HB3 SER A 78 -13.814 1.909 6.492 1.00 0.00 H new ATOM 0 HG SER A 78 -16.086 1.492 6.812 1.00 0.00 H new ATOM 1164 N ARG A 79 -14.180 4.407 3.421 1.00 0.00 N ATOM 1165 CA ARG A 79 -14.094 5.895 3.483 1.00 0.00 C ATOM 1166 C ARG A 79 -15.292 6.461 4.249 1.00 0.00 C ATOM 1167 O ARG A 79 -15.843 5.740 5.067 1.00 0.00 O ATOM 1168 CB ARG A 79 -14.126 6.352 2.023 1.00 0.00 C ATOM 1169 CG ARG A 79 -13.216 7.571 1.849 1.00 0.00 C ATOM 1170 CD ARG A 79 -12.597 7.550 0.450 1.00 0.00 C ATOM 1171 NE ARG A 79 -11.489 8.543 0.505 1.00 0.00 N ATOM 1172 CZ ARG A 79 -11.617 9.696 -0.092 1.00 0.00 C ATOM 1173 NH1 ARG A 79 -12.769 10.309 -0.094 1.00 0.00 N ATOM 1174 NH2 ARG A 79 -10.590 10.238 -0.689 1.00 0.00 N ATOM 1175 OXT ARG A 79 -15.639 7.606 4.007 1.00 0.00 O ATOM 0 H ARG A 79 -14.437 4.024 2.511 1.00 0.00 H new ATOM 0 HA ARG A 79 -13.197 6.238 3.999 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -13.797 5.543 1.370 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -15.146 6.602 1.731 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -13.788 8.488 1.992 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -12.431 7.563 2.606 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.225 6.557 0.198 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -13.330 7.818 -0.310 1.00 0.00 H new ATOM 0 HE ARG A 79 -10.630 8.322 1.009 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -13.572 9.887 0.372 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -12.866 11.210 -0.561 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -9.689 9.760 -0.688 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -10.689 11.139 -1.156 1.00 0.00 H new TER 1189 ARG A 79