USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 518 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 31 GLN : amide:sc= -0.0861 K(o=-0.0081,f=-0.61) USER MOD Set 1.2: A 71 SER OG : rot -145:sc= 0.078 USER MOD Set 2.1: A 34 CYS SG : rot 142:sc= -0.45 USER MOD Set 2.2: A 37 CYS SG : rot 66:sc= 1.1 USER MOD Set 2.3: A 54 CYS SG : rot -177:sc= -3.38! USER MOD Set 2.4: A 58 HIS : no HE2:sc= -0.611 K(o=-3.3,f=-7.1) USER MOD Set 3.1: A 5 CYS SG : rot 80:sc= 1.25 USER MOD Set 3.2: A 8 CYS SG : rot -137:sc= 0.592 USER MOD Set 3.3: A 21 CYS SG : rot -3:sc= 2.46 USER MOD Set 3.4: A 23 THR OG1 : rot 15:sc= 0.804 USER MOD Set 3.5: A 24 CYS SG : rot -55:sc= -0.654! USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.325 USER MOD Single : A 9 HIS : no HD1:sc= -0.18 X(o=-0.18,f=0.029) USER MOD Single : A 10 HIS : no HE2:sc= 1.05 K(o=1.1,f=-6.1!) USER MOD Single : A 15 ASN : amide:sc= -1.84 K(o=-1.8,f=0) USER MOD Single : A 18 THR OG1 : rot -100:sc= -0.65 USER MOD Single : A 20 HIS : no HE2:sc= 0.163! C(o=0.16!,f=-5.1!) USER MOD Single : A 26 LYS NZ :NH3+ 169:sc= -0.0398 (180deg=-0.19) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.937 K(o=-0.94,f=0) USER MOD Single : A 42 GLN : amide:sc= -0.0838 K(o=-0.084,f=-3.4!) USER MOD Single : A 45 LYS NZ :NH3+ 165:sc= -0.0395 (180deg=-0.251) USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -2.13! K(o=-2.1!,f=0) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 174:sc= 0.978 (180deg=0.671) USER MOD Single : A 64 LYS NZ :NH3+ -169:sc= -0.0106 (180deg=-0.158) USER MOD Single : A 67 ASN : amide:sc= 0.0177 X(o=0.018,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 14.067 4.719 3.946 1.00 0.00 N ATOM 21 CA GLU A 2 12.665 5.081 4.103 1.00 0.00 C ATOM 22 C GLU A 2 11.844 4.416 3.008 1.00 0.00 C ATOM 23 O GLU A 2 12.285 3.438 2.404 1.00 0.00 O ATOM 24 CB GLU A 2 12.484 6.598 4.003 1.00 0.00 C ATOM 25 CG GLU A 2 13.256 7.395 5.036 1.00 0.00 C ATOM 26 CD GLU A 2 12.904 8.864 4.996 1.00 0.00 C ATOM 27 OE1 GLU A 2 11.780 9.213 5.413 1.00 0.00 O ATOM 28 OE2 GLU A 2 13.742 9.673 4.542 1.00 0.00 O ATOM 0 HA GLU A 2 12.330 4.745 5.084 1.00 0.00 H new ATOM 0 HB2 GLU A 2 12.791 6.923 3.009 1.00 0.00 H new ATOM 0 HB3 GLU A 2 11.424 6.831 4.101 1.00 0.00 H new ATOM 0 HG2 GLU A 2 13.047 6.999 6.030 1.00 0.00 H new ATOM 0 HG3 GLU A 2 14.325 7.273 4.863 1.00 0.00 H new ATOM 35 N ILE A 3 10.651 4.938 2.763 1.00 0.00 N ATOM 36 CA ILE A 3 9.887 4.537 1.595 1.00 0.00 C ATOM 37 C ILE A 3 10.603 5.071 0.369 1.00 0.00 C ATOM 38 O ILE A 3 11.030 4.313 -0.504 1.00 0.00 O ATOM 39 CB ILE A 3 8.440 5.078 1.636 1.00 0.00 C ATOM 40 CG1 ILE A 3 7.754 4.668 2.944 1.00 0.00 C ATOM 41 CG2 ILE A 3 7.649 4.564 0.438 1.00 0.00 C ATOM 42 CD1 ILE A 3 6.352 5.222 3.100 1.00 0.00 C ATOM 0 H ILE A 3 10.196 5.634 3.353 1.00 0.00 H new ATOM 0 HA ILE A 3 9.818 3.449 1.570 1.00 0.00 H new ATOM 0 HB ILE A 3 8.474 6.166 1.589 1.00 0.00 H new ATOM 0 HG12 ILE A 3 7.712 3.580 2.996 1.00 0.00 H new ATOM 0 HG13 ILE A 3 8.363 5.004 3.783 1.00 0.00 H new ATOM 0 HG21 ILE A 3 6.632 4.953 0.480 1.00 0.00 H new ATOM 0 HG22 ILE A 3 8.127 4.897 -0.483 1.00 0.00 H new ATOM 0 HG23 ILE A 3 7.622 3.475 0.460 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.933 4.889 4.049 1.00 0.00 H new ATOM 0 HD12 ILE A 3 6.387 6.311 3.081 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.727 4.865 2.282 1.00 0.00 H new ATOM 54 N THR A 4 10.750 6.390 0.358 1.00 0.00 N ATOM 55 CA THR A 4 11.603 7.096 -0.592 1.00 0.00 C ATOM 56 C THR A 4 11.063 7.067 -2.025 1.00 0.00 C ATOM 57 O THR A 4 10.775 6.010 -2.583 1.00 0.00 O ATOM 58 CB THR A 4 13.034 6.525 -0.565 1.00 0.00 C ATOM 59 OG1 THR A 4 13.499 6.441 0.791 1.00 0.00 O ATOM 60 CG2 THR A 4 13.982 7.402 -1.361 1.00 0.00 C ATOM 0 H THR A 4 10.275 7.008 1.016 1.00 0.00 H new ATOM 0 HA THR A 4 11.613 8.138 -0.273 1.00 0.00 H new ATOM 0 HB THR A 4 13.012 5.532 -1.014 1.00 0.00 H new ATOM 0 HG1 THR A 4 14.408 6.076 0.803 1.00 0.00 H new ATOM 0 HG21 THR A 4 14.985 6.978 -1.327 1.00 0.00 H new ATOM 0 HG22 THR A 4 13.646 7.455 -2.396 1.00 0.00 H new ATOM 0 HG23 THR A 4 13.997 8.404 -0.933 1.00 0.00 H new ATOM 68 N CYS A 5 10.921 8.248 -2.613 1.00 0.00 N ATOM 69 CA CYS A 5 10.549 8.358 -4.015 1.00 0.00 C ATOM 70 C CYS A 5 11.773 8.036 -4.872 1.00 0.00 C ATOM 71 O CYS A 5 12.799 8.715 -4.768 1.00 0.00 O ATOM 72 CB CYS A 5 10.029 9.769 -4.315 1.00 0.00 C ATOM 73 SG CYS A 5 9.222 9.964 -5.927 1.00 0.00 S ATOM 0 H CYS A 5 11.058 9.141 -2.140 1.00 0.00 H new ATOM 0 HA CYS A 5 9.751 7.653 -4.246 1.00 0.00 H new ATOM 0 HB2 CYS A 5 9.322 10.052 -3.535 1.00 0.00 H new ATOM 0 HB3 CYS A 5 10.864 10.467 -4.257 1.00 0.00 H new ATOM 0 HG CYS A 5 8.002 9.521 -5.858 1.00 0.00 H new ATOM 78 N PRO A 6 11.684 6.990 -5.711 1.00 0.00 N ATOM 79 CA PRO A 6 12.824 6.474 -6.488 1.00 0.00 C ATOM 80 C PRO A 6 13.572 7.557 -7.262 1.00 0.00 C ATOM 81 O PRO A 6 14.799 7.638 -7.206 1.00 0.00 O ATOM 82 CB PRO A 6 12.170 5.484 -7.455 1.00 0.00 C ATOM 83 CG PRO A 6 10.948 5.023 -6.741 1.00 0.00 C ATOM 84 CD PRO A 6 10.454 6.212 -5.966 1.00 0.00 C ATOM 0 HA PRO A 6 13.581 6.035 -5.838 1.00 0.00 H new ATOM 0 HB2 PRO A 6 11.921 5.960 -8.403 1.00 0.00 H new ATOM 0 HB3 PRO A 6 12.836 4.651 -7.682 1.00 0.00 H new ATOM 0 HG2 PRO A 6 10.192 4.673 -7.445 1.00 0.00 H new ATOM 0 HG3 PRO A 6 11.175 4.189 -6.076 1.00 0.00 H new ATOM 0 HD2 PRO A 6 9.725 6.788 -6.536 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.968 5.913 -5.037 1.00 0.00 H new ATOM 92 N VAL A 7 12.830 8.407 -7.954 1.00 0.00 N ATOM 93 CA VAL A 7 13.432 9.441 -8.791 1.00 0.00 C ATOM 94 C VAL A 7 13.735 10.711 -7.996 1.00 0.00 C ATOM 95 O VAL A 7 13.985 11.774 -8.568 1.00 0.00 O ATOM 96 CB VAL A 7 12.527 9.788 -9.990 1.00 0.00 C ATOM 97 CG1 VAL A 7 12.402 8.593 -10.924 1.00 0.00 C ATOM 98 CG2 VAL A 7 11.153 10.246 -9.519 1.00 0.00 C ATOM 0 H VAL A 7 11.810 8.404 -7.955 1.00 0.00 H new ATOM 0 HA VAL A 7 14.372 9.033 -9.161 1.00 0.00 H new ATOM 0 HB VAL A 7 12.987 10.610 -10.538 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.760 8.854 -11.765 1.00 0.00 H new ATOM 0 HG12 VAL A 7 13.389 8.315 -11.293 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.967 7.752 -10.383 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.533 10.485 -10.383 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.682 9.449 -8.943 1.00 0.00 H new ATOM 0 HG23 VAL A 7 11.260 11.132 -8.893 1.00 0.00 H new ATOM 108 N CYS A 8 13.721 10.597 -6.679 1.00 0.00 N ATOM 109 CA CYS A 8 14.015 11.731 -5.816 1.00 0.00 C ATOM 110 C CYS A 8 15.095 11.394 -4.794 1.00 0.00 C ATOM 111 O CYS A 8 15.890 12.257 -4.424 1.00 0.00 O ATOM 112 CB CYS A 8 12.758 12.185 -5.075 1.00 0.00 C ATOM 113 SG CYS A 8 11.424 12.783 -6.138 1.00 0.00 S ATOM 0 H CYS A 8 13.509 9.731 -6.183 1.00 0.00 H new ATOM 0 HA CYS A 8 14.376 12.534 -6.458 1.00 0.00 H new ATOM 0 HB2 CYS A 8 12.383 11.352 -4.480 1.00 0.00 H new ATOM 0 HB3 CYS A 8 13.031 12.977 -4.378 1.00 0.00 H new ATOM 0 HG CYS A 8 10.905 13.856 -5.620 1.00 0.00 H new ATOM 118 N HIS A 9 15.095 10.143 -4.323 1.00 0.00 N ATOM 119 CA HIS A 9 15.979 9.718 -3.234 1.00 0.00 C ATOM 120 C HIS A 9 15.630 10.475 -1.957 1.00 0.00 C ATOM 121 O HIS A 9 16.452 10.624 -1.056 1.00 0.00 O ATOM 122 CB HIS A 9 17.459 9.920 -3.595 1.00 0.00 C ATOM 123 CG HIS A 9 18.011 8.851 -4.489 1.00 0.00 C ATOM 124 ND1 HIS A 9 19.350 8.526 -4.536 1.00 0.00 N ATOM 125 CD2 HIS A 9 17.399 8.033 -5.376 1.00 0.00 C ATOM 126 CE1 HIS A 9 19.534 7.549 -5.403 1.00 0.00 C ATOM 127 NE2 HIS A 9 18.366 7.233 -5.929 1.00 0.00 N ATOM 0 H HIS A 9 14.490 9.404 -4.681 1.00 0.00 H new ATOM 0 HA HIS A 9 15.827 8.651 -3.071 1.00 0.00 H new ATOM 0 HB2 HIS A 9 17.576 10.887 -4.084 1.00 0.00 H new ATOM 0 HB3 HIS A 9 18.047 9.954 -2.678 1.00 0.00 H new ATOM 0 HD2 HIS A 9 16.344 8.014 -5.606 1.00 0.00 H new ATOM 0 HE1 HIS A 9 20.480 7.086 -5.642 1.00 0.00 H new ATOM 0 HE2 HIS A 9 18.208 6.511 -6.632 1.00 0.00 H new ATOM 136 N HIS A 10 14.378 10.916 -1.882 1.00 0.00 N ATOM 137 CA HIS A 10 13.900 11.685 -0.744 1.00 0.00 C ATOM 138 C HIS A 10 12.616 11.060 -0.201 1.00 0.00 C ATOM 139 O HIS A 10 11.951 10.293 -0.905 1.00 0.00 O ATOM 140 CB HIS A 10 13.662 13.145 -1.150 1.00 0.00 C ATOM 141 CG HIS A 10 14.169 14.132 -0.140 1.00 0.00 C ATOM 142 ND1 HIS A 10 13.376 15.085 0.460 1.00 0.00 N ATOM 143 CD2 HIS A 10 15.406 14.306 0.371 1.00 0.00 C ATOM 144 CE1 HIS A 10 14.103 15.798 1.298 1.00 0.00 C ATOM 145 NE2 HIS A 10 15.342 15.345 1.267 1.00 0.00 N ATOM 0 H HIS A 10 13.674 10.751 -2.602 1.00 0.00 H new ATOM 0 HA HIS A 10 14.656 11.669 0.041 1.00 0.00 H new ATOM 0 HB2 HIS A 10 14.149 13.333 -2.107 1.00 0.00 H new ATOM 0 HB3 HIS A 10 12.594 13.304 -1.299 1.00 0.00 H new ATOM 0 HD1 HIS A 10 12.380 15.219 0.283 1.00 0.00 H new ATOM 0 HD2 HIS A 10 16.286 13.732 0.121 1.00 0.00 H new ATOM 0 HE1 HIS A 10 13.745 16.615 1.907 1.00 0.00 H new ATOM 154 N ALA A 11 12.287 11.394 1.042 1.00 0.00 N ATOM 155 CA ALA A 11 11.170 10.786 1.767 1.00 0.00 C ATOM 156 C ALA A 11 9.831 10.882 1.032 1.00 0.00 C ATOM 157 O ALA A 11 9.579 11.821 0.275 1.00 0.00 O ATOM 158 CB ALA A 11 11.043 11.429 3.138 1.00 0.00 C ATOM 0 H ALA A 11 12.790 12.099 1.581 1.00 0.00 H new ATOM 0 HA ALA A 11 11.400 9.724 1.853 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.211 10.976 3.677 1.00 0.00 H new ATOM 0 HB2 ALA A 11 11.965 11.276 3.699 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.862 12.498 3.023 1.00 0.00 H new ATOM 164 N LEU A 12 8.988 9.883 1.267 1.00 0.00 N ATOM 165 CA LEU A 12 7.612 9.885 0.781 1.00 0.00 C ATOM 166 C LEU A 12 6.645 10.018 1.945 1.00 0.00 C ATOM 167 O LEU A 12 6.534 9.111 2.775 1.00 0.00 O ATOM 168 CB LEU A 12 7.296 8.604 0.004 1.00 0.00 C ATOM 169 CG LEU A 12 7.782 8.583 -1.439 1.00 0.00 C ATOM 170 CD1 LEU A 12 7.427 7.261 -2.098 1.00 0.00 C ATOM 171 CD2 LEU A 12 7.172 9.741 -2.214 1.00 0.00 C ATOM 0 H LEU A 12 9.238 9.049 1.799 1.00 0.00 H new ATOM 0 HA LEU A 12 7.499 10.736 0.110 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.739 7.760 0.532 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.217 8.452 0.009 1.00 0.00 H new ATOM 0 HG LEU A 12 8.867 8.691 -1.444 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.781 7.262 -3.129 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.900 6.444 -1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.345 7.127 -2.086 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.527 9.716 -3.244 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.085 9.655 -2.202 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.466 10.683 -1.752 1.00 0.00 H new ATOM 183 N GLU A 13 5.942 11.138 2.000 1.00 0.00 N ATOM 184 CA GLU A 13 5.031 11.419 3.100 1.00 0.00 C ATOM 185 C GLU A 13 3.787 10.542 3.010 1.00 0.00 C ATOM 186 O GLU A 13 2.918 10.747 2.158 1.00 0.00 O ATOM 187 CB GLU A 13 4.650 12.899 3.101 1.00 0.00 C ATOM 188 CG GLU A 13 5.851 13.832 3.141 1.00 0.00 C ATOM 189 CD GLU A 13 6.680 13.678 4.402 1.00 0.00 C ATOM 190 OE1 GLU A 13 7.397 12.666 4.535 1.00 0.00 O ATOM 191 OE2 GLU A 13 6.619 14.576 5.269 1.00 0.00 O ATOM 0 H GLU A 13 5.985 11.871 1.292 1.00 0.00 H new ATOM 0 HA GLU A 13 5.537 11.188 4.038 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.061 13.115 2.210 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.013 13.102 3.962 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.482 13.641 2.273 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.506 14.863 3.063 1.00 0.00 H new ATOM 198 N ARG A 14 3.719 9.555 3.889 1.00 0.00 N ATOM 199 CA ARG A 14 2.627 8.594 3.888 1.00 0.00 C ATOM 200 C ARG A 14 1.368 9.200 4.496 1.00 0.00 C ATOM 201 O ARG A 14 1.326 9.505 5.687 1.00 0.00 O ATOM 202 CB ARG A 14 3.035 7.337 4.663 1.00 0.00 C ATOM 203 CG ARG A 14 2.011 6.214 4.599 1.00 0.00 C ATOM 204 CD ARG A 14 2.493 4.975 5.340 1.00 0.00 C ATOM 205 NE ARG A 14 2.557 5.184 6.787 1.00 0.00 N ATOM 206 CZ ARG A 14 3.688 5.328 7.476 1.00 0.00 C ATOM 207 NH1 ARG A 14 4.863 5.336 6.853 1.00 0.00 N ATOM 208 NH2 ARG A 14 3.637 5.477 8.789 1.00 0.00 N ATOM 0 H ARG A 14 4.414 9.398 4.619 1.00 0.00 H new ATOM 0 HA ARG A 14 2.409 8.323 2.855 1.00 0.00 H new ATOM 0 HB2 ARG A 14 3.984 6.972 4.271 1.00 0.00 H new ATOM 0 HB3 ARG A 14 3.202 7.604 5.707 1.00 0.00 H new ATOM 0 HG2 ARG A 14 1.070 6.554 5.031 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.811 5.961 3.558 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.824 4.142 5.125 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.480 4.695 4.971 1.00 0.00 H new ATOM 0 HE ARG A 14 1.677 5.222 7.302 1.00 0.00 H new ATOM 0 HH11 ARG A 14 4.903 5.231 5.839 1.00 0.00 H new ATOM 0 HH12 ARG A 14 5.724 5.447 7.389 1.00 0.00 H new ATOM 0 HH21 ARG A 14 2.736 5.481 9.267 1.00 0.00 H new ATOM 0 HH22 ARG A 14 4.499 5.588 9.324 1.00 0.00 H new ATOM 222 N ASN A 15 0.348 9.374 3.670 1.00 0.00 N ATOM 223 CA ASN A 15 -0.934 9.903 4.127 1.00 0.00 C ATOM 224 C ASN A 15 -1.948 8.775 4.264 1.00 0.00 C ATOM 225 O ASN A 15 -3.154 9.007 4.331 1.00 0.00 O ATOM 226 CB ASN A 15 -1.470 10.968 3.156 1.00 0.00 C ATOM 227 CG ASN A 15 -0.807 12.328 3.323 1.00 0.00 C ATOM 228 OD1 ASN A 15 -1.434 13.364 3.098 1.00 0.00 O ATOM 229 ND2 ASN A 15 0.460 12.341 3.704 1.00 0.00 N ATOM 0 H ASN A 15 0.381 9.156 2.674 1.00 0.00 H new ATOM 0 HA ASN A 15 -0.779 10.370 5.100 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -1.322 10.623 2.133 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -2.545 11.076 3.304 1.00 0.00 H new ATOM 0 HD21 ASN A 15 0.949 13.229 3.820 1.00 0.00 H new ATOM 0 HD22 ASN A 15 0.948 11.463 3.882 1.00 0.00 H new ATOM 236 N GLY A 16 -1.447 7.549 4.296 1.00 0.00 N ATOM 237 CA GLY A 16 -2.313 6.396 4.443 1.00 0.00 C ATOM 238 C GLY A 16 -2.717 5.815 3.107 1.00 0.00 C ATOM 239 O GLY A 16 -2.098 4.871 2.624 1.00 0.00 O ATOM 0 H GLY A 16 -0.453 7.331 4.223 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.803 5.633 5.031 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.206 6.682 4.998 1.00 0.00 H new ATOM 243 N ASP A 17 -3.740 6.405 2.501 1.00 0.00 N ATOM 244 CA ASP A 17 -4.258 5.941 1.213 1.00 0.00 C ATOM 245 C ASP A 17 -3.227 6.152 0.110 1.00 0.00 C ATOM 246 O ASP A 17 -3.164 5.402 -0.865 1.00 0.00 O ATOM 247 CB ASP A 17 -5.549 6.693 0.871 1.00 0.00 C ATOM 248 CG ASP A 17 -6.216 6.196 -0.400 1.00 0.00 C ATOM 249 OD1 ASP A 17 -7.028 5.246 -0.314 1.00 0.00 O ATOM 250 OD2 ASP A 17 -5.959 6.768 -1.480 1.00 0.00 O ATOM 0 H ASP A 17 -4.233 7.213 2.882 1.00 0.00 H new ATOM 0 HA ASP A 17 -4.470 4.874 1.288 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -6.248 6.596 1.702 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.325 7.754 0.764 1.00 0.00 H new ATOM 255 N THR A 18 -2.404 7.170 0.287 1.00 0.00 N ATOM 256 CA THR A 18 -1.405 7.518 -0.701 1.00 0.00 C ATOM 257 C THR A 18 -0.138 8.037 -0.028 1.00 0.00 C ATOM 258 O THR A 18 -0.160 8.455 1.132 1.00 0.00 O ATOM 259 CB THR A 18 -1.950 8.582 -1.686 1.00 0.00 C ATOM 260 OG1 THR A 18 -0.970 8.892 -2.684 1.00 0.00 O ATOM 261 CG2 THR A 18 -2.351 9.856 -0.953 1.00 0.00 C ATOM 0 H THR A 18 -2.410 7.771 1.111 1.00 0.00 H new ATOM 0 HA THR A 18 -1.162 6.615 -1.261 1.00 0.00 H new ATOM 0 HB THR A 18 -2.834 8.164 -2.167 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.518 9.729 -2.449 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.730 10.584 -1.670 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.128 9.627 -0.224 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.483 10.269 -0.440 1.00 0.00 H new ATOM 269 N ALA A 19 0.964 7.975 -0.755 1.00 0.00 N ATOM 270 CA ALA A 19 2.212 8.568 -0.319 1.00 0.00 C ATOM 271 C ALA A 19 2.525 9.755 -1.211 1.00 0.00 C ATOM 272 O ALA A 19 2.746 9.599 -2.410 1.00 0.00 O ATOM 273 CB ALA A 19 3.337 7.546 -0.360 1.00 0.00 C ATOM 0 H ALA A 19 1.017 7.512 -1.663 1.00 0.00 H new ATOM 0 HA ALA A 19 2.116 8.905 0.713 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.265 8.013 -0.029 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.095 6.712 0.299 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.459 7.180 -1.379 1.00 0.00 H new ATOM 279 N HIS A 20 2.514 10.934 -0.626 1.00 0.00 N ATOM 280 CA HIS A 20 2.651 12.161 -1.391 1.00 0.00 C ATOM 281 C HIS A 20 4.091 12.647 -1.370 1.00 0.00 C ATOM 282 O HIS A 20 4.649 12.912 -0.302 1.00 0.00 O ATOM 283 CB HIS A 20 1.715 13.230 -0.820 1.00 0.00 C ATOM 284 CG HIS A 20 1.629 14.477 -1.645 1.00 0.00 C ATOM 285 ND1 HIS A 20 0.769 14.614 -2.708 1.00 0.00 N ATOM 286 CD2 HIS A 20 2.288 15.654 -1.543 1.00 0.00 C ATOM 287 CE1 HIS A 20 0.897 15.819 -3.225 1.00 0.00 C ATOM 288 NE2 HIS A 20 1.813 16.476 -2.534 1.00 0.00 N ATOM 0 H HIS A 20 2.411 11.072 0.379 1.00 0.00 H new ATOM 0 HA HIS A 20 2.377 11.965 -2.427 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.716 12.805 -0.719 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.052 13.494 0.182 1.00 0.00 H new ATOM 0 HD1 HIS A 20 0.130 13.894 -3.045 1.00 0.00 H new ATOM 0 HD2 HIS A 20 3.048 15.901 -0.816 1.00 0.00 H new ATOM 0 HE1 HIS A 20 0.347 16.205 -4.070 1.00 0.00 H new ATOM 297 N CYS A 21 4.690 12.755 -2.545 1.00 0.00 N ATOM 298 CA CYS A 21 6.052 13.248 -2.653 1.00 0.00 C ATOM 299 C CYS A 21 6.064 14.769 -2.554 1.00 0.00 C ATOM 300 O CYS A 21 5.136 15.443 -3.000 1.00 0.00 O ATOM 301 CB CYS A 21 6.695 12.792 -3.970 1.00 0.00 C ATOM 302 SG CYS A 21 8.503 12.980 -4.034 1.00 0.00 S ATOM 0 H CYS A 21 4.256 12.509 -3.434 1.00 0.00 H new ATOM 0 HA CYS A 21 6.636 12.835 -1.831 1.00 0.00 H new ATOM 0 HB2 CYS A 21 6.446 11.744 -4.137 1.00 0.00 H new ATOM 0 HB3 CYS A 21 6.254 13.359 -4.790 1.00 0.00 H new ATOM 0 HG CYS A 21 8.921 13.536 -2.936 1.00 0.00 H new ATOM 307 N GLU A 22 7.104 15.291 -1.937 1.00 0.00 N ATOM 308 CA GLU A 22 7.301 16.726 -1.818 1.00 0.00 C ATOM 309 C GLU A 22 8.071 17.235 -3.030 1.00 0.00 C ATOM 310 O GLU A 22 7.859 18.348 -3.519 1.00 0.00 O ATOM 311 CB GLU A 22 8.056 17.046 -0.520 1.00 0.00 C ATOM 312 CG GLU A 22 8.800 15.854 0.089 1.00 0.00 C ATOM 313 CD GLU A 22 9.965 15.362 -0.754 1.00 0.00 C ATOM 314 OE1 GLU A 22 9.742 14.577 -1.705 1.00 0.00 O ATOM 315 OE2 GLU A 22 11.108 15.754 -0.475 1.00 0.00 O ATOM 0 H GLU A 22 7.839 14.734 -1.502 1.00 0.00 H new ATOM 0 HA GLU A 22 6.333 17.226 -1.782 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.772 17.843 -0.718 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.347 17.429 0.214 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.170 16.134 1.075 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.097 15.034 0.234 1.00 0.00 H new ATOM 322 N THR A 23 8.964 16.386 -3.491 1.00 0.00 N ATOM 323 CA THR A 23 9.763 16.627 -4.673 1.00 0.00 C ATOM 324 C THR A 23 9.102 15.985 -5.887 1.00 0.00 C ATOM 325 O THR A 23 9.469 14.873 -6.228 1.00 0.00 O ATOM 326 CB THR A 23 11.144 15.984 -4.477 1.00 0.00 C ATOM 327 OG1 THR A 23 10.954 14.630 -3.997 1.00 0.00 O ATOM 328 CG2 THR A 23 11.986 16.769 -3.478 1.00 0.00 C ATOM 0 H THR A 23 9.159 15.490 -3.045 1.00 0.00 H new ATOM 0 HA THR A 23 9.856 17.702 -4.831 1.00 0.00 H new ATOM 0 HB THR A 23 11.674 15.985 -5.430 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.021 14.362 -4.134 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.957 16.287 -3.362 1.00 0.00 H new ATOM 0 HG22 THR A 23 12.127 17.787 -3.842 1.00 0.00 H new ATOM 0 HG23 THR A 23 11.477 16.795 -2.514 1.00 0.00 H new ATOM 336 N CYS A 24 8.164 16.699 -6.510 1.00 0.00 N ATOM 337 CA CYS A 24 7.229 16.176 -7.534 1.00 0.00 C ATOM 338 C CYS A 24 5.901 15.855 -6.865 1.00 0.00 C ATOM 339 O CYS A 24 5.851 15.118 -5.883 1.00 0.00 O ATOM 340 CB CYS A 24 7.746 14.953 -8.351 1.00 0.00 C ATOM 341 SG CYS A 24 7.700 13.328 -7.518 1.00 0.00 S ATOM 0 H CYS A 24 8.021 17.690 -6.317 1.00 0.00 H new ATOM 0 HA CYS A 24 7.119 16.965 -8.278 1.00 0.00 H new ATOM 0 HB2 CYS A 24 7.158 14.883 -9.266 1.00 0.00 H new ATOM 0 HB3 CYS A 24 8.775 15.153 -8.648 1.00 0.00 H new ATOM 0 HG CYS A 24 8.345 13.399 -6.392 1.00 0.00 H new ATOM 346 N ALA A 25 4.833 16.445 -7.385 1.00 0.00 N ATOM 347 CA ALA A 25 3.495 16.280 -6.827 1.00 0.00 C ATOM 348 C ALA A 25 2.893 14.942 -7.245 1.00 0.00 C ATOM 349 O ALA A 25 1.706 14.845 -7.554 1.00 0.00 O ATOM 350 CB ALA A 25 2.602 17.432 -7.271 1.00 0.00 C ATOM 0 H ALA A 25 4.868 17.051 -8.205 1.00 0.00 H new ATOM 0 HA ALA A 25 3.568 16.289 -5.739 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.605 17.302 -6.851 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.023 18.375 -6.921 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.538 17.445 -8.359 1.00 0.00 H new ATOM 356 N LYS A 26 3.723 13.917 -7.227 1.00 0.00 N ATOM 357 CA LYS A 26 3.318 12.586 -7.624 1.00 0.00 C ATOM 358 C LYS A 26 2.823 11.815 -6.406 1.00 0.00 C ATOM 359 O LYS A 26 3.529 11.703 -5.401 1.00 0.00 O ATOM 360 CB LYS A 26 4.501 11.872 -8.281 1.00 0.00 C ATOM 361 CG LYS A 26 4.165 10.507 -8.852 1.00 0.00 C ATOM 362 CD LYS A 26 5.360 9.899 -9.565 1.00 0.00 C ATOM 363 CE LYS A 26 5.066 8.492 -10.058 1.00 0.00 C ATOM 364 NZ LYS A 26 3.862 8.440 -10.926 1.00 0.00 N ATOM 0 H LYS A 26 4.698 13.986 -6.936 1.00 0.00 H new ATOM 0 HA LYS A 26 2.503 12.645 -8.345 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.892 12.501 -9.080 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.297 11.760 -7.545 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.841 9.844 -8.049 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.330 10.596 -9.547 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.639 10.529 -10.409 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.214 9.876 -8.888 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.927 8.116 -10.611 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.923 7.832 -9.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.806 7.509 -11.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.011 8.592 -10.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.925 9.182 -11.652 1.00 0.00 H new ATOM 378 N ASP A 27 1.604 11.312 -6.492 1.00 0.00 N ATOM 379 CA ASP A 27 1.014 10.559 -5.397 1.00 0.00 C ATOM 380 C ASP A 27 1.126 9.069 -5.660 1.00 0.00 C ATOM 381 O ASP A 27 0.860 8.595 -6.768 1.00 0.00 O ATOM 382 CB ASP A 27 -0.450 10.951 -5.178 1.00 0.00 C ATOM 383 CG ASP A 27 -0.594 12.277 -4.459 1.00 0.00 C ATOM 384 OD1 ASP A 27 -0.484 12.300 -3.216 1.00 0.00 O ATOM 385 OD2 ASP A 27 -0.818 13.308 -5.128 1.00 0.00 O ATOM 0 H ASP A 27 1.002 11.411 -7.309 1.00 0.00 H new ATOM 0 HA ASP A 27 1.566 10.800 -4.489 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.956 11.007 -6.142 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.949 10.172 -4.601 1.00 0.00 H new ATOM 390 N PHE A 28 1.545 8.340 -4.644 1.00 0.00 N ATOM 391 CA PHE A 28 1.725 6.905 -4.750 1.00 0.00 C ATOM 392 C PHE A 28 0.670 6.171 -3.934 1.00 0.00 C ATOM 393 O PHE A 28 0.761 6.115 -2.708 1.00 0.00 O ATOM 394 CB PHE A 28 3.121 6.515 -4.260 1.00 0.00 C ATOM 395 CG PHE A 28 4.237 7.124 -5.061 1.00 0.00 C ATOM 396 CD1 PHE A 28 4.755 6.465 -6.163 1.00 0.00 C ATOM 397 CD2 PHE A 28 4.774 8.349 -4.704 1.00 0.00 C ATOM 398 CE1 PHE A 28 5.785 7.018 -6.897 1.00 0.00 C ATOM 399 CE2 PHE A 28 5.802 8.909 -5.436 1.00 0.00 C ATOM 400 CZ PHE A 28 6.311 8.240 -6.531 1.00 0.00 C ATOM 0 H PHE A 28 1.769 8.723 -3.726 1.00 0.00 H new ATOM 0 HA PHE A 28 1.618 6.621 -5.797 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.228 6.817 -3.218 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.216 5.430 -4.289 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.348 5.507 -6.452 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.384 8.872 -3.843 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.178 6.495 -7.756 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.207 9.869 -5.152 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.120 8.673 -7.101 1.00 0.00 H new ATOM 410 N SER A 29 -0.336 5.634 -4.612 1.00 0.00 N ATOM 411 CA SER A 29 -1.370 4.853 -3.952 1.00 0.00 C ATOM 412 C SER A 29 -0.755 3.679 -3.196 1.00 0.00 C ATOM 413 O SER A 29 -0.017 2.873 -3.769 1.00 0.00 O ATOM 414 CB SER A 29 -2.384 4.351 -4.978 1.00 0.00 C ATOM 415 OG SER A 29 -2.958 5.435 -5.689 1.00 0.00 O ATOM 0 H SER A 29 -0.457 5.726 -5.621 1.00 0.00 H new ATOM 0 HA SER A 29 -1.883 5.492 -3.234 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.896 3.670 -5.675 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.167 3.784 -4.475 1.00 0.00 H new ATOM 0 HG SER A 29 -3.603 5.093 -6.342 1.00 0.00 H new ATOM 421 N LEU A 30 -1.047 3.599 -1.909 1.00 0.00 N ATOM 422 CA LEU A 30 -0.493 2.553 -1.071 1.00 0.00 C ATOM 423 C LEU A 30 -1.528 1.471 -0.835 1.00 0.00 C ATOM 424 O LEU A 30 -2.663 1.755 -0.451 1.00 0.00 O ATOM 425 CB LEU A 30 -0.021 3.130 0.264 1.00 0.00 C ATOM 426 CG LEU A 30 1.089 4.175 0.160 1.00 0.00 C ATOM 427 CD1 LEU A 30 1.431 4.723 1.531 1.00 0.00 C ATOM 428 CD2 LEU A 30 2.323 3.581 -0.497 1.00 0.00 C ATOM 0 H LEU A 30 -1.666 4.248 -1.422 1.00 0.00 H new ATOM 0 HA LEU A 30 0.365 2.116 -1.583 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.875 3.579 0.771 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.329 2.311 0.893 1.00 0.00 H new ATOM 0 HG LEU A 30 0.730 4.996 -0.461 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.223 5.466 1.439 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.547 5.188 1.968 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.769 3.910 2.174 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.102 4.341 -0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.683 2.742 0.098 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.070 3.234 -1.499 1.00 0.00 H new ATOM 440 N GLN A 31 -1.141 0.235 -1.085 1.00 0.00 N ATOM 441 CA GLN A 31 -2.030 -0.890 -0.877 1.00 0.00 C ATOM 442 C GLN A 31 -1.437 -1.838 0.149 1.00 0.00 C ATOM 443 O GLN A 31 -0.282 -2.257 0.032 1.00 0.00 O ATOM 444 CB GLN A 31 -2.309 -1.613 -2.195 1.00 0.00 C ATOM 445 CG GLN A 31 -2.949 -0.712 -3.236 1.00 0.00 C ATOM 446 CD GLN A 31 -3.382 -1.449 -4.488 1.00 0.00 C ATOM 447 OE1 GLN A 31 -2.788 -2.454 -4.878 1.00 0.00 O ATOM 448 NE2 GLN A 31 -4.426 -0.952 -5.124 1.00 0.00 N ATOM 0 H GLN A 31 -0.215 -0.015 -1.433 1.00 0.00 H new ATOM 0 HA GLN A 31 -2.981 -0.518 -0.496 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -1.375 -2.011 -2.591 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -2.963 -2.464 -2.006 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -3.816 -0.220 -2.795 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -2.243 0.071 -3.511 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.890 -0.117 -4.767 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.769 -1.403 -5.972 1.00 0.00 H new ATOM 457 N ALA A 32 -2.223 -2.151 1.166 1.00 0.00 N ATOM 458 CA ALA A 32 -1.774 -3.012 2.244 1.00 0.00 C ATOM 459 C ALA A 32 -1.960 -4.484 1.880 1.00 0.00 C ATOM 460 O ALA A 32 -3.076 -4.940 1.644 1.00 0.00 O ATOM 461 CB ALA A 32 -2.517 -2.660 3.528 1.00 0.00 C ATOM 0 H ALA A 32 -3.182 -1.818 1.266 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.708 -2.850 2.405 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.177 -3.309 4.335 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.318 -1.621 3.790 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.588 -2.798 3.378 1.00 0.00 H new ATOM 467 N LEU A 33 -0.850 -5.204 1.798 1.00 0.00 N ATOM 468 CA LEU A 33 -0.872 -6.637 1.525 1.00 0.00 C ATOM 469 C LEU A 33 -0.340 -7.408 2.727 1.00 0.00 C ATOM 470 O LEU A 33 0.319 -6.837 3.599 1.00 0.00 O ATOM 471 CB LEU A 33 -0.028 -6.988 0.286 1.00 0.00 C ATOM 472 CG LEU A 33 -0.676 -6.720 -1.079 1.00 0.00 C ATOM 473 CD1 LEU A 33 -2.032 -7.398 -1.170 1.00 0.00 C ATOM 474 CD2 LEU A 33 -0.800 -5.229 -1.352 1.00 0.00 C ATOM 0 H LEU A 33 0.086 -4.816 1.918 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.907 -6.919 1.331 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.905 -6.426 0.338 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.233 -8.045 0.339 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.026 -7.143 -1.845 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.475 -7.196 -2.145 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.910 -8.474 -1.043 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.685 -7.012 -0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.263 -5.075 -2.327 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.417 -4.768 -0.580 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.191 -4.774 -1.345 1.00 0.00 H new ATOM 486 N CYS A 34 -0.621 -8.700 2.772 1.00 0.00 N ATOM 487 CA CYS A 34 -0.108 -9.550 3.834 1.00 0.00 C ATOM 488 C CYS A 34 1.120 -10.314 3.362 1.00 0.00 C ATOM 489 O CYS A 34 1.362 -10.438 2.160 1.00 0.00 O ATOM 490 CB CYS A 34 -1.174 -10.541 4.296 1.00 0.00 C ATOM 491 SG CYS A 34 -2.538 -9.798 5.208 1.00 0.00 S ATOM 0 H CYS A 34 -1.201 -9.183 2.086 1.00 0.00 H new ATOM 0 HA CYS A 34 0.168 -8.908 4.671 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.575 -11.057 3.424 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.702 -11.296 4.924 1.00 0.00 H new ATOM 0 HG CYS A 34 -3.651 -10.384 4.878 1.00 0.00 H new ATOM 496 N PRO A 35 1.920 -10.829 4.308 1.00 0.00 N ATOM 497 CA PRO A 35 3.069 -11.678 3.991 1.00 0.00 C ATOM 498 C PRO A 35 2.645 -12.947 3.255 1.00 0.00 C ATOM 499 O PRO A 35 3.351 -13.432 2.371 1.00 0.00 O ATOM 500 CB PRO A 35 3.659 -12.025 5.364 1.00 0.00 C ATOM 501 CG PRO A 35 3.136 -10.982 6.290 1.00 0.00 C ATOM 502 CD PRO A 35 1.787 -10.596 5.756 1.00 0.00 C ATOM 0 HA PRO A 35 3.779 -11.179 3.332 1.00 0.00 H new ATOM 0 HB2 PRO A 35 3.355 -13.022 5.682 1.00 0.00 H new ATOM 0 HB3 PRO A 35 4.749 -12.017 5.338 1.00 0.00 H new ATOM 0 HG2 PRO A 35 3.058 -11.366 7.307 1.00 0.00 H new ATOM 0 HG3 PRO A 35 3.803 -10.121 6.325 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.993 -11.203 6.190 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.549 -9.555 5.976 1.00 0.00 H new ATOM 510 N ASP A 36 1.480 -13.475 3.624 1.00 0.00 N ATOM 511 CA ASP A 36 0.956 -14.685 2.995 1.00 0.00 C ATOM 512 C ASP A 36 -0.057 -14.329 1.913 1.00 0.00 C ATOM 513 O ASP A 36 -0.239 -15.071 0.953 1.00 0.00 O ATOM 514 CB ASP A 36 0.292 -15.601 4.035 1.00 0.00 C ATOM 515 CG ASP A 36 -1.144 -15.203 4.343 1.00 0.00 C ATOM 516 OD1 ASP A 36 -1.373 -14.168 4.984 1.00 0.00 O ATOM 517 OD2 ASP A 36 -2.079 -15.904 3.933 1.00 0.00 O ATOM 0 H ASP A 36 0.883 -13.085 4.353 1.00 0.00 H new ATOM 0 HA ASP A 36 1.795 -15.214 2.543 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.309 -16.628 3.671 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.875 -15.580 4.956 1.00 0.00 H new ATOM 522 N CYS A 37 -0.711 -13.186 2.073 1.00 0.00 N ATOM 523 CA CYS A 37 -1.754 -12.774 1.147 1.00 0.00 C ATOM 524 C CYS A 37 -1.222 -11.739 0.164 1.00 0.00 C ATOM 525 O CYS A 37 -1.069 -10.567 0.508 1.00 0.00 O ATOM 526 CB CYS A 37 -2.954 -12.188 1.906 1.00 0.00 C ATOM 527 SG CYS A 37 -3.555 -13.195 3.290 1.00 0.00 S ATOM 0 H CYS A 37 -0.537 -12.530 2.834 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.078 -13.657 0.596 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.679 -11.204 2.286 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.773 -12.040 1.202 1.00 0.00 H new ATOM 0 HG CYS A 37 -2.645 -13.245 4.217 1.00 0.00 H new ATOM 532 N ARG A 38 -0.920 -12.180 -1.051 1.00 0.00 N ATOM 533 CA ARG A 38 -0.542 -11.265 -2.121 1.00 0.00 C ATOM 534 C ARG A 38 -1.799 -10.771 -2.816 1.00 0.00 C ATOM 535 O ARG A 38 -1.752 -9.948 -3.728 1.00 0.00 O ATOM 536 CB ARG A 38 0.384 -11.948 -3.130 1.00 0.00 C ATOM 537 CG ARG A 38 1.728 -12.355 -2.550 1.00 0.00 C ATOM 538 CD ARG A 38 2.537 -11.146 -2.099 1.00 0.00 C ATOM 539 NE ARG A 38 3.878 -11.520 -1.649 1.00 0.00 N ATOM 540 CZ ARG A 38 4.606 -10.806 -0.789 1.00 0.00 C ATOM 541 NH1 ARG A 38 4.126 -9.680 -0.276 1.00 0.00 N ATOM 542 NH2 ARG A 38 5.824 -11.209 -0.449 1.00 0.00 N ATOM 0 H ARG A 38 -0.929 -13.164 -1.320 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.000 -10.423 -1.690 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.114 -12.833 -3.525 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.550 -11.274 -3.971 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.571 -13.024 -1.704 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.293 -12.913 -3.297 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.616 -10.435 -2.922 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.011 -10.640 -1.290 1.00 0.00 H new ATOM 0 HE ARG A 38 4.282 -12.382 -2.016 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.195 -9.356 -0.539 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.688 -9.139 0.381 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.206 -12.067 -0.846 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.378 -10.660 0.209 1.00 0.00 H new ATOM 556 N GLN A 39 -2.927 -11.299 -2.365 1.00 0.00 N ATOM 557 CA GLN A 39 -4.227 -10.900 -2.868 1.00 0.00 C ATOM 558 C GLN A 39 -4.740 -9.715 -2.070 1.00 0.00 C ATOM 559 O GLN A 39 -4.507 -9.642 -0.864 1.00 0.00 O ATOM 560 CB GLN A 39 -5.218 -12.063 -2.769 1.00 0.00 C ATOM 561 CG GLN A 39 -4.846 -13.265 -3.623 1.00 0.00 C ATOM 562 CD GLN A 39 -5.771 -14.450 -3.402 1.00 0.00 C ATOM 563 OE1 GLN A 39 -5.364 -15.604 -3.554 1.00 0.00 O ATOM 564 NE2 GLN A 39 -7.018 -14.177 -3.040 1.00 0.00 N ATOM 0 H GLN A 39 -2.964 -12.016 -1.640 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.128 -10.616 -3.916 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.290 -12.378 -1.728 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.206 -11.711 -3.065 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.872 -12.980 -4.675 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.822 -13.562 -3.398 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.315 -13.208 -2.925 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.679 -14.936 -2.877 1.00 0.00 H new ATOM 573 N PRO A 40 -5.423 -8.769 -2.734 1.00 0.00 N ATOM 574 CA PRO A 40 -6.007 -7.604 -2.070 1.00 0.00 C ATOM 575 C PRO A 40 -6.841 -8.007 -0.862 1.00 0.00 C ATOM 576 O PRO A 40 -7.792 -8.785 -0.984 1.00 0.00 O ATOM 577 CB PRO A 40 -6.886 -6.979 -3.154 1.00 0.00 C ATOM 578 CG PRO A 40 -6.247 -7.389 -4.434 1.00 0.00 C ATOM 579 CD PRO A 40 -5.676 -8.759 -4.188 1.00 0.00 C ATOM 0 HA PRO A 40 -5.250 -6.921 -1.684 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -7.913 -7.340 -3.089 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -6.923 -5.894 -3.058 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.975 -7.409 -5.245 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -5.466 -6.686 -4.724 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.374 -9.543 -4.480 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.760 -8.920 -4.756 1.00 0.00 H new ATOM 587 N LEU A 41 -6.463 -7.496 0.301 1.00 0.00 N ATOM 588 CA LEU A 41 -7.140 -7.837 1.545 1.00 0.00 C ATOM 589 C LEU A 41 -8.536 -7.216 1.570 1.00 0.00 C ATOM 590 O LEU A 41 -8.977 -6.625 0.582 1.00 0.00 O ATOM 591 CB LEU A 41 -6.325 -7.351 2.748 1.00 0.00 C ATOM 592 CG LEU A 41 -4.808 -7.546 2.647 1.00 0.00 C ATOM 593 CD1 LEU A 41 -4.133 -7.073 3.923 1.00 0.00 C ATOM 594 CD2 LEU A 41 -4.454 -9.001 2.366 1.00 0.00 C ATOM 0 H LEU A 41 -5.688 -6.841 0.410 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.234 -8.921 1.604 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.527 -6.290 2.896 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.681 -7.870 3.638 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.445 -6.948 1.811 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.056 -7.217 3.839 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.347 -6.016 4.078 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.511 -7.647 4.769 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.371 -9.106 2.300 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.831 -9.630 3.173 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.906 -9.310 1.424 1.00 0.00 H new ATOM 606 N GLN A 42 -9.227 -7.326 2.695 1.00 0.00 N ATOM 607 CA GLN A 42 -10.586 -6.825 2.777 1.00 0.00 C ATOM 608 C GLN A 42 -10.566 -5.310 2.854 1.00 0.00 C ATOM 609 O GLN A 42 -9.794 -4.731 3.617 1.00 0.00 O ATOM 610 CB GLN A 42 -11.321 -7.419 3.981 1.00 0.00 C ATOM 611 CG GLN A 42 -12.786 -7.013 4.062 1.00 0.00 C ATOM 612 CD GLN A 42 -13.575 -7.414 2.828 1.00 0.00 C ATOM 613 OE1 GLN A 42 -13.665 -6.656 1.861 1.00 0.00 O ATOM 614 NE2 GLN A 42 -14.152 -8.604 2.853 1.00 0.00 N ATOM 0 H GLN A 42 -8.873 -7.752 3.552 1.00 0.00 H new ATOM 0 HA GLN A 42 -11.125 -7.130 1.880 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -11.256 -8.506 3.936 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.815 -7.107 4.895 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -13.238 -7.472 4.942 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -12.853 -5.933 4.196 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -14.053 -9.202 3.674 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -14.696 -8.924 2.052 1.00 0.00 H new ATOM 623 N VAL A 43 -11.401 -4.681 2.049 1.00 0.00 N ATOM 624 CA VAL A 43 -11.434 -3.233 1.964 1.00 0.00 C ATOM 625 C VAL A 43 -12.152 -2.640 3.167 1.00 0.00 C ATOM 626 O VAL A 43 -13.380 -2.720 3.273 1.00 0.00 O ATOM 627 CB VAL A 43 -12.126 -2.758 0.666 1.00 0.00 C ATOM 628 CG1 VAL A 43 -12.181 -1.238 0.600 1.00 0.00 C ATOM 629 CG2 VAL A 43 -11.412 -3.320 -0.555 1.00 0.00 C ATOM 0 H VAL A 43 -12.070 -5.154 1.441 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.401 -2.886 1.953 1.00 0.00 H new ATOM 0 HB VAL A 43 -13.150 -3.132 0.673 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -12.673 -0.931 -0.323 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -12.742 -0.857 1.454 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -11.168 -0.836 0.622 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -11.913 -2.975 -1.460 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.377 -2.978 -0.560 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -11.434 -4.409 -0.520 1.00 0.00 H new ATOM 639 N LEU A 44 -11.381 -2.078 4.080 1.00 0.00 N ATOM 640 CA LEU A 44 -11.929 -1.388 5.230 1.00 0.00 C ATOM 641 C LEU A 44 -11.776 0.116 5.039 1.00 0.00 C ATOM 642 O LEU A 44 -10.892 0.570 4.315 1.00 0.00 O ATOM 643 CB LEU A 44 -11.233 -1.843 6.518 1.00 0.00 C ATOM 644 CG LEU A 44 -11.329 -3.344 6.827 1.00 0.00 C ATOM 645 CD1 LEU A 44 -10.803 -3.627 8.226 1.00 0.00 C ATOM 646 CD2 LEU A 44 -12.764 -3.827 6.697 1.00 0.00 C ATOM 0 H LEU A 44 -10.362 -2.088 4.044 1.00 0.00 H new ATOM 0 HA LEU A 44 -12.988 -1.631 5.320 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.180 -1.569 6.457 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.659 -1.290 7.355 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.717 -3.885 6.105 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -10.876 -4.695 8.433 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.761 -3.315 8.293 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.395 -3.074 8.956 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -12.811 -4.893 6.920 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -13.396 -3.282 7.398 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -13.116 -3.653 5.680 1.00 0.00 H new ATOM 658 N LYS A 45 -12.647 0.885 5.668 1.00 0.00 N ATOM 659 CA LYS A 45 -12.653 2.324 5.474 1.00 0.00 C ATOM 660 C LYS A 45 -12.146 3.057 6.707 1.00 0.00 C ATOM 661 O LYS A 45 -12.661 2.874 7.812 1.00 0.00 O ATOM 662 CB LYS A 45 -14.061 2.804 5.126 1.00 0.00 C ATOM 663 CG LYS A 45 -14.617 2.172 3.862 1.00 0.00 C ATOM 664 CD LYS A 45 -16.013 2.679 3.545 1.00 0.00 C ATOM 665 CE LYS A 45 -16.593 1.972 2.330 1.00 0.00 C ATOM 666 NZ LYS A 45 -16.797 0.517 2.575 1.00 0.00 N ATOM 0 H LYS A 45 -13.356 0.539 6.315 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.979 2.549 4.648 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.729 2.582 5.958 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.049 3.887 5.007 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -13.953 2.388 3.025 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.641 1.088 3.978 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.664 2.522 4.405 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.980 3.753 3.362 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -17.545 2.432 2.063 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.925 2.106 1.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.416 0.124 1.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.879 0.029 2.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -17.239 0.380 3.507 1.00 0.00 H new ATOM 680 N ALA A 46 -11.127 3.875 6.506 1.00 0.00 N ATOM 681 CA ALA A 46 -10.618 4.745 7.552 1.00 0.00 C ATOM 682 C ALA A 46 -10.791 6.198 7.131 1.00 0.00 C ATOM 683 O ALA A 46 -9.961 6.741 6.398 1.00 0.00 O ATOM 684 CB ALA A 46 -9.158 4.434 7.847 1.00 0.00 C ATOM 0 H ALA A 46 -10.632 3.955 5.618 1.00 0.00 H new ATOM 0 HA ALA A 46 -11.183 4.573 8.468 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.796 5.097 8.633 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.066 3.398 8.174 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.565 4.584 6.945 1.00 0.00 H new ATOM 690 N CYS A 47 -11.889 6.803 7.580 1.00 0.00 N ATOM 691 CA CYS A 47 -12.283 8.149 7.163 1.00 0.00 C ATOM 692 C CYS A 47 -12.608 8.167 5.668 1.00 0.00 C ATOM 693 O CYS A 47 -13.757 7.961 5.275 1.00 0.00 O ATOM 694 CB CYS A 47 -11.194 9.178 7.499 1.00 0.00 C ATOM 695 SG CYS A 47 -10.755 9.244 9.253 1.00 0.00 S ATOM 0 H CYS A 47 -12.532 6.373 8.245 1.00 0.00 H new ATOM 0 HA CYS A 47 -13.180 8.428 7.717 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -10.300 8.947 6.920 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -11.532 10.165 7.183 1.00 0.00 H new ATOM 0 HG CYS A 47 -9.829 10.138 9.435 1.00 0.00 H new ATOM 701 N GLY A 48 -11.592 8.380 4.839 1.00 0.00 N ATOM 702 CA GLY A 48 -11.777 8.343 3.404 1.00 0.00 C ATOM 703 C GLY A 48 -10.684 7.547 2.723 1.00 0.00 C ATOM 704 O GLY A 48 -10.611 7.490 1.494 1.00 0.00 O ATOM 0 H GLY A 48 -10.638 8.579 5.140 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -12.747 7.903 3.173 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.786 9.360 3.011 1.00 0.00 H new ATOM 708 N ALA A 49 -9.835 6.924 3.530 1.00 0.00 N ATOM 709 CA ALA A 49 -8.725 6.134 3.020 1.00 0.00 C ATOM 710 C ALA A 49 -9.091 4.657 2.987 1.00 0.00 C ATOM 711 O ALA A 49 -9.826 4.173 3.854 1.00 0.00 O ATOM 712 CB ALA A 49 -7.488 6.356 3.878 1.00 0.00 C ATOM 0 H ALA A 49 -9.896 6.952 4.548 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.508 6.455 2.001 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.663 5.760 3.488 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.215 7.411 3.857 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.699 6.056 4.905 1.00 0.00 H new ATOM 718 N VAL A 50 -8.584 3.950 1.986 1.00 0.00 N ATOM 719 CA VAL A 50 -8.861 2.528 1.834 1.00 0.00 C ATOM 720 C VAL A 50 -7.814 1.696 2.566 1.00 0.00 C ATOM 721 O VAL A 50 -6.644 1.667 2.180 1.00 0.00 O ATOM 722 CB VAL A 50 -8.905 2.118 0.346 1.00 0.00 C ATOM 723 CG1 VAL A 50 -9.180 0.628 0.204 1.00 0.00 C ATOM 724 CG2 VAL A 50 -9.954 2.931 -0.400 1.00 0.00 C ATOM 0 H VAL A 50 -7.977 4.340 1.265 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.841 2.338 2.272 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.930 2.326 -0.095 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.207 0.362 -0.853 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.391 0.063 0.701 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.140 0.390 0.662 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.971 2.629 -1.447 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.934 2.756 0.044 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.709 3.991 -0.332 1.00 0.00 H new ATOM 734 N ASP A 51 -8.240 1.027 3.624 1.00 0.00 N ATOM 735 CA ASP A 51 -7.345 0.210 4.432 1.00 0.00 C ATOM 736 C ASP A 51 -7.598 -1.265 4.160 1.00 0.00 C ATOM 737 O ASP A 51 -8.698 -1.765 4.384 1.00 0.00 O ATOM 738 CB ASP A 51 -7.552 0.514 5.917 1.00 0.00 C ATOM 739 CG ASP A 51 -6.587 -0.229 6.820 1.00 0.00 C ATOM 740 OD1 ASP A 51 -5.378 0.077 6.782 1.00 0.00 O ATOM 741 OD2 ASP A 51 -7.039 -1.084 7.612 1.00 0.00 O ATOM 0 H ASP A 51 -9.208 1.033 3.947 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.315 0.446 4.165 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -7.440 1.586 6.081 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.573 0.254 6.195 1.00 0.00 H new ATOM 746 N TYR A 52 -6.592 -1.955 3.654 1.00 0.00 N ATOM 747 CA TYR A 52 -6.730 -3.371 3.360 1.00 0.00 C ATOM 748 C TYR A 52 -6.372 -4.194 4.592 1.00 0.00 C ATOM 749 O TYR A 52 -5.230 -4.193 5.051 1.00 0.00 O ATOM 750 CB TYR A 52 -5.861 -3.769 2.163 1.00 0.00 C ATOM 751 CG TYR A 52 -6.214 -3.048 0.879 1.00 0.00 C ATOM 752 CD1 TYR A 52 -5.664 -1.807 0.581 1.00 0.00 C ATOM 753 CD2 TYR A 52 -7.099 -3.608 -0.034 1.00 0.00 C ATOM 754 CE1 TYR A 52 -5.981 -1.147 -0.589 1.00 0.00 C ATOM 755 CE2 TYR A 52 -7.422 -2.954 -1.208 1.00 0.00 C ATOM 756 CZ TYR A 52 -6.862 -1.723 -1.479 1.00 0.00 C ATOM 757 OH TYR A 52 -7.178 -1.069 -2.646 1.00 0.00 O ATOM 0 H TYR A 52 -5.676 -1.562 3.439 1.00 0.00 H new ATOM 0 HA TYR A 52 -7.768 -3.573 3.095 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -4.816 -3.571 2.404 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -5.953 -4.843 2.002 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.976 -1.351 1.277 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -7.542 -4.570 0.177 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -5.541 -0.185 -0.806 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -8.109 -3.404 -1.909 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.811 -1.610 -3.163 1.00 0.00 H new ATOM 767 N PHE A 53 -7.369 -4.873 5.123 1.00 0.00 N ATOM 768 CA PHE A 53 -7.242 -5.621 6.365 1.00 0.00 C ATOM 769 C PHE A 53 -8.203 -6.806 6.316 1.00 0.00 C ATOM 770 O PHE A 53 -9.401 -6.661 6.565 1.00 0.00 O ATOM 771 CB PHE A 53 -7.574 -4.675 7.521 1.00 0.00 C ATOM 772 CG PHE A 53 -7.135 -5.132 8.882 1.00 0.00 C ATOM 773 CD1 PHE A 53 -5.847 -4.877 9.334 1.00 0.00 C ATOM 774 CD2 PHE A 53 -8.018 -5.785 9.723 1.00 0.00 C ATOM 775 CE1 PHE A 53 -5.453 -5.270 10.594 1.00 0.00 C ATOM 776 CE2 PHE A 53 -7.629 -6.175 10.986 1.00 0.00 C ATOM 777 CZ PHE A 53 -6.346 -5.917 11.423 1.00 0.00 C ATOM 0 H PHE A 53 -8.298 -4.924 4.705 1.00 0.00 H new ATOM 0 HA PHE A 53 -6.232 -6.006 6.506 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -7.116 -3.707 7.317 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -8.653 -4.519 7.541 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -5.147 -4.365 8.691 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -9.023 -5.991 9.386 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.447 -5.072 10.932 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -8.328 -6.683 11.634 1.00 0.00 H new ATOM 0 HZ PHE A 53 -6.041 -6.221 12.413 1.00 0.00 H new ATOM 787 N CYS A 54 -7.684 -7.974 5.948 1.00 0.00 N ATOM 788 CA CYS A 54 -8.533 -9.122 5.670 1.00 0.00 C ATOM 789 C CYS A 54 -9.015 -9.806 6.944 1.00 0.00 C ATOM 790 O CYS A 54 -8.382 -10.730 7.451 1.00 0.00 O ATOM 791 CB CYS A 54 -7.804 -10.117 4.759 1.00 0.00 C ATOM 792 SG CYS A 54 -6.079 -10.428 5.213 1.00 0.00 S ATOM 0 H CYS A 54 -6.685 -8.147 5.837 1.00 0.00 H new ATOM 0 HA CYS A 54 -9.419 -8.754 5.153 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -8.345 -11.063 4.769 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.835 -9.743 3.736 1.00 0.00 H new ATOM 0 HG CYS A 54 -5.540 -11.233 4.346 1.00 0.00 H new ATOM 797 N GLN A 55 -10.149 -9.332 7.456 1.00 0.00 N ATOM 798 CA GLN A 55 -10.811 -9.957 8.596 1.00 0.00 C ATOM 799 C GLN A 55 -11.383 -11.308 8.180 1.00 0.00 C ATOM 800 O GLN A 55 -11.614 -12.188 9.008 1.00 0.00 O ATOM 801 CB GLN A 55 -11.928 -9.047 9.119 1.00 0.00 C ATOM 802 CG GLN A 55 -11.457 -7.659 9.537 1.00 0.00 C ATOM 803 CD GLN A 55 -10.983 -7.580 10.981 1.00 0.00 C ATOM 804 OE1 GLN A 55 -11.083 -6.530 11.617 1.00 0.00 O ATOM 805 NE2 GLN A 55 -10.465 -8.673 11.515 1.00 0.00 N ATOM 0 H GLN A 55 -10.631 -8.509 7.094 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.084 -10.109 9.394 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -12.689 -8.943 8.345 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -12.405 -9.529 9.972 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -10.645 -7.348 8.880 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -12.272 -6.950 9.393 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -10.396 -9.527 10.962 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -10.135 -8.662 12.480 1.00 0.00 H new ATOM 814 N ASN A 56 -11.609 -11.453 6.882 1.00 0.00 N ATOM 815 CA ASN A 56 -12.098 -12.700 6.310 1.00 0.00 C ATOM 816 C ASN A 56 -10.995 -13.376 5.507 1.00 0.00 C ATOM 817 O ASN A 56 -10.386 -12.759 4.631 1.00 0.00 O ATOM 818 CB ASN A 56 -13.317 -12.434 5.415 1.00 0.00 C ATOM 819 CG ASN A 56 -13.680 -13.623 4.540 1.00 0.00 C ATOM 820 OD1 ASN A 56 -13.200 -13.743 3.411 1.00 0.00 O ATOM 821 ND2 ASN A 56 -14.532 -14.500 5.043 1.00 0.00 N ATOM 0 H ASN A 56 -11.459 -10.712 6.197 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.399 -13.362 7.122 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -14.171 -12.176 6.041 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -13.114 -11.571 4.781 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -14.814 -15.311 4.492 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -14.907 -14.366 5.982 1.00 0.00 H new ATOM 828 N GLY A 57 -10.725 -14.636 5.823 1.00 0.00 N ATOM 829 CA GLY A 57 -9.737 -15.396 5.086 1.00 0.00 C ATOM 830 C GLY A 57 -8.337 -15.189 5.625 1.00 0.00 C ATOM 831 O GLY A 57 -7.348 -15.517 4.963 1.00 0.00 O ATOM 0 H GLY A 57 -11.176 -15.147 6.582 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -9.989 -16.456 5.131 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.767 -15.105 4.036 1.00 0.00 H new ATOM 835 N HIS A 58 -8.252 -14.651 6.834 1.00 0.00 N ATOM 836 CA HIS A 58 -6.970 -14.375 7.463 1.00 0.00 C ATOM 837 C HIS A 58 -7.174 -13.986 8.923 1.00 0.00 C ATOM 838 O HIS A 58 -6.841 -14.749 9.829 1.00 0.00 O ATOM 839 CB HIS A 58 -6.240 -13.255 6.708 1.00 0.00 C ATOM 840 CG HIS A 58 -4.860 -12.958 7.217 1.00 0.00 C ATOM 841 ND1 HIS A 58 -3.710 -13.363 6.563 1.00 0.00 N ATOM 842 CD2 HIS A 58 -4.448 -12.289 8.320 1.00 0.00 C ATOM 843 CE1 HIS A 58 -2.654 -12.951 7.256 1.00 0.00 C ATOM 844 NE2 HIS A 58 -3.075 -12.300 8.320 1.00 0.00 N ATOM 0 H HIS A 58 -9.061 -14.396 7.400 1.00 0.00 H new ATOM 0 HA HIS A 58 -6.358 -15.276 7.425 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -6.174 -13.527 5.655 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -6.838 -12.346 6.765 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -3.678 -13.892 5.691 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -5.083 -11.831 9.064 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -1.621 -13.122 6.990 1.00 0.00 H new ATOM 852 N GLY A 59 -7.721 -12.801 9.142 1.00 0.00 N ATOM 853 CA GLY A 59 -7.965 -12.336 10.488 1.00 0.00 C ATOM 854 C GLY A 59 -7.542 -10.897 10.678 1.00 0.00 C ATOM 855 O GLY A 59 -8.276 -9.978 10.328 1.00 0.00 O ATOM 0 H GLY A 59 -8.001 -12.151 8.407 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.026 -12.435 10.719 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.425 -12.968 11.193 1.00 0.00 H new ATOM 859 N LEU A 60 -6.348 -10.696 11.211 1.00 0.00 N ATOM 860 CA LEU A 60 -5.856 -9.356 11.482 1.00 0.00 C ATOM 861 C LEU A 60 -4.336 -9.320 11.458 1.00 0.00 C ATOM 862 O LEU A 60 -3.675 -10.313 11.766 1.00 0.00 O ATOM 863 CB LEU A 60 -6.405 -8.859 12.833 1.00 0.00 C ATOM 864 CG LEU A 60 -6.230 -9.805 14.030 1.00 0.00 C ATOM 865 CD1 LEU A 60 -4.846 -9.668 14.651 1.00 0.00 C ATOM 866 CD2 LEU A 60 -7.311 -9.547 15.069 1.00 0.00 C ATOM 0 H LEU A 60 -5.702 -11.444 11.464 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.210 -8.687 10.698 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.920 -7.912 13.072 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.468 -8.651 12.714 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.328 -10.828 13.666 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.757 -10.352 15.495 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.088 -9.910 13.906 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.702 -8.644 14.996 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.175 -10.225 15.912 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.242 -8.516 15.417 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.291 -9.715 14.623 1.00 0.00 H new ATOM 878 N ILE A 61 -3.786 -8.183 11.070 1.00 0.00 N ATOM 879 CA ILE A 61 -2.345 -8.019 10.974 1.00 0.00 C ATOM 880 C ILE A 61 -1.920 -6.764 11.725 1.00 0.00 C ATOM 881 O ILE A 61 -2.599 -5.741 11.658 1.00 0.00 O ATOM 882 CB ILE A 61 -1.862 -7.892 9.502 1.00 0.00 C ATOM 883 CG1 ILE A 61 -2.544 -8.916 8.587 1.00 0.00 C ATOM 884 CG2 ILE A 61 -0.351 -8.056 9.423 1.00 0.00 C ATOM 885 CD1 ILE A 61 -3.901 -8.469 8.074 1.00 0.00 C ATOM 0 H ILE A 61 -4.320 -7.353 10.814 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.894 -8.910 11.410 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.138 -6.896 9.155 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.893 -9.120 7.737 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.662 -9.854 9.130 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.029 -7.964 8.386 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.131 -7.283 10.022 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.071 -9.038 9.804 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.322 -9.245 7.434 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.569 -8.293 8.917 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.788 -7.548 7.502 1.00 0.00 H new ATOM 897 N SER A 62 -0.813 -6.844 12.452 1.00 0.00 N ATOM 898 CA SER A 62 -0.243 -5.665 13.081 1.00 0.00 C ATOM 899 C SER A 62 0.130 -4.661 11.998 1.00 0.00 C ATOM 900 O SER A 62 0.861 -4.999 11.066 1.00 0.00 O ATOM 901 CB SER A 62 0.989 -6.039 13.910 1.00 0.00 C ATOM 902 OG SER A 62 1.547 -4.901 14.547 1.00 0.00 O ATOM 0 H SER A 62 -0.297 -7.708 12.619 1.00 0.00 H new ATOM 0 HA SER A 62 -0.977 -5.222 13.754 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.714 -6.780 14.661 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.737 -6.501 13.266 1.00 0.00 H new ATOM 0 HG SER A 62 2.331 -5.170 15.070 1.00 0.00 H new ATOM 908 N LYS A 63 -0.367 -3.434 12.120 1.00 0.00 N ATOM 909 CA LYS A 63 -0.206 -2.428 11.074 1.00 0.00 C ATOM 910 C LYS A 63 1.259 -2.026 10.875 1.00 0.00 C ATOM 911 O LYS A 63 1.591 -1.340 9.913 1.00 0.00 O ATOM 912 CB LYS A 63 -1.064 -1.198 11.375 1.00 0.00 C ATOM 913 CG LYS A 63 -2.520 -1.382 10.977 1.00 0.00 C ATOM 914 CD LYS A 63 -2.641 -1.623 9.479 1.00 0.00 C ATOM 915 CE LYS A 63 -4.049 -2.020 9.071 1.00 0.00 C ATOM 916 NZ LYS A 63 -5.053 -0.984 9.422 1.00 0.00 N ATOM 0 H LYS A 63 -0.887 -3.111 12.936 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.545 -2.878 10.141 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.009 -0.975 12.440 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.654 -0.337 10.847 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.948 -2.224 11.522 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.093 -0.498 11.256 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.351 -0.719 8.943 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.944 -2.407 9.182 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.076 -2.199 7.996 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.314 -2.959 9.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.980 -1.253 9.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.121 -0.903 10.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.763 -0.069 9.021 1.00 0.00 H new ATOM 930 N LYS A 64 2.130 -2.459 11.778 1.00 0.00 N ATOM 931 CA LYS A 64 3.557 -2.197 11.639 1.00 0.00 C ATOM 932 C LYS A 64 4.210 -3.262 10.764 1.00 0.00 C ATOM 933 O LYS A 64 5.280 -3.048 10.190 1.00 0.00 O ATOM 934 CB LYS A 64 4.236 -2.171 13.011 1.00 0.00 C ATOM 935 CG LYS A 64 5.701 -1.762 12.954 1.00 0.00 C ATOM 936 CD LYS A 64 6.396 -1.926 14.299 1.00 0.00 C ATOM 937 CE LYS A 64 5.768 -1.053 15.374 1.00 0.00 C ATOM 938 NZ LYS A 64 5.832 0.392 15.031 1.00 0.00 N ATOM 0 H LYS A 64 1.875 -2.991 12.610 1.00 0.00 H new ATOM 0 HA LYS A 64 3.679 -1.222 11.166 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.699 -1.480 13.661 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.160 -3.159 13.464 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.216 -2.364 12.205 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.774 -0.723 12.633 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.349 -2.971 14.607 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.451 -1.672 14.196 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.728 -1.346 15.515 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.279 -1.223 16.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.567 0.958 15.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.800 0.637 14.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.174 0.593 14.251 1.00 0.00 H new ATOM 952 N ARG A 65 3.552 -4.407 10.653 1.00 0.00 N ATOM 953 CA ARG A 65 4.108 -5.544 9.932 1.00 0.00 C ATOM 954 C ARG A 65 3.314 -5.824 8.663 1.00 0.00 C ATOM 955 O ARG A 65 3.477 -6.869 8.032 1.00 0.00 O ATOM 956 CB ARG A 65 4.116 -6.784 10.827 1.00 0.00 C ATOM 957 CG ARG A 65 4.995 -6.638 12.057 1.00 0.00 C ATOM 958 CD ARG A 65 4.980 -7.900 12.898 1.00 0.00 C ATOM 959 NE ARG A 65 5.441 -9.065 12.143 1.00 0.00 N ATOM 960 CZ ARG A 65 5.250 -10.322 12.525 1.00 0.00 C ATOM 961 NH1 ARG A 65 4.593 -10.585 13.648 1.00 0.00 N ATOM 962 NH2 ARG A 65 5.709 -11.317 11.778 1.00 0.00 N ATOM 0 H ARG A 65 2.629 -4.574 11.054 1.00 0.00 H new ATOM 0 HA ARG A 65 5.132 -5.300 9.650 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.096 -7.001 11.143 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.458 -7.640 10.245 1.00 0.00 H new ATOM 0 HG2 ARG A 65 6.017 -6.414 11.752 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.649 -5.795 12.656 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.615 -7.760 13.773 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.969 -8.081 13.263 1.00 0.00 H new ATOM 0 HE ARG A 65 5.940 -8.901 11.269 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.234 -9.820 14.220 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.448 -11.552 13.939 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.208 -11.116 10.911 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.563 -12.283 12.070 1.00 0.00 H new ATOM 976 N VAL A 66 2.454 -4.887 8.295 1.00 0.00 N ATOM 977 CA VAL A 66 1.678 -5.010 7.075 1.00 0.00 C ATOM 978 C VAL A 66 2.548 -4.670 5.872 1.00 0.00 C ATOM 979 O VAL A 66 3.328 -3.714 5.905 1.00 0.00 O ATOM 980 CB VAL A 66 0.435 -4.092 7.097 1.00 0.00 C ATOM 981 CG1 VAL A 66 -0.319 -4.162 5.779 1.00 0.00 C ATOM 982 CG2 VAL A 66 -0.485 -4.469 8.246 1.00 0.00 C ATOM 0 H VAL A 66 2.277 -4.034 8.825 1.00 0.00 H new ATOM 0 HA VAL A 66 1.333 -6.041 7.001 1.00 0.00 H new ATOM 0 HB VAL A 66 0.778 -3.067 7.241 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.189 -3.507 5.822 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.336 -3.843 4.968 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.645 -5.187 5.600 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.355 -3.812 8.246 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.811 -5.502 8.127 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.050 -4.363 9.190 1.00 0.00 H new ATOM 992 N ASN A 67 2.420 -5.449 4.812 1.00 0.00 N ATOM 993 CA ASN A 67 3.208 -5.229 3.614 1.00 0.00 C ATOM 994 C ASN A 67 2.484 -4.251 2.694 1.00 0.00 C ATOM 995 O ASN A 67 1.984 -4.623 1.631 1.00 0.00 O ATOM 996 CB ASN A 67 3.474 -6.559 2.897 1.00 0.00 C ATOM 997 CG ASN A 67 4.527 -6.453 1.805 1.00 0.00 C ATOM 998 OD1 ASN A 67 5.721 -6.619 2.058 1.00 0.00 O ATOM 999 ND2 ASN A 67 4.091 -6.190 0.582 1.00 0.00 N ATOM 0 H ASN A 67 1.778 -6.239 4.757 1.00 0.00 H new ATOM 0 HA ASN A 67 4.170 -4.799 3.893 1.00 0.00 H new ATOM 0 HB2 ASN A 67 3.793 -7.301 3.629 1.00 0.00 H new ATOM 0 HB3 ASN A 67 2.543 -6.921 2.461 1.00 0.00 H new ATOM 0 HD21 ASN A 67 4.753 -6.119 -0.191 1.00 0.00 H new ATOM 0 HD22 ASN A 67 3.094 -6.059 0.413 1.00 0.00 H new ATOM 1006 N PHE A 68 2.380 -3.006 3.137 1.00 0.00 N ATOM 1007 CA PHE A 68 1.798 -1.958 2.315 1.00 0.00 C ATOM 1008 C PHE A 68 2.856 -1.374 1.388 1.00 0.00 C ATOM 1009 O PHE A 68 3.877 -0.850 1.835 1.00 0.00 O ATOM 1010 CB PHE A 68 1.139 -0.859 3.171 1.00 0.00 C ATOM 1011 CG PHE A 68 1.908 -0.465 4.407 1.00 0.00 C ATOM 1012 CD1 PHE A 68 2.917 0.484 4.349 1.00 0.00 C ATOM 1013 CD2 PHE A 68 1.608 -1.043 5.631 1.00 0.00 C ATOM 1014 CE1 PHE A 68 3.611 0.847 5.487 1.00 0.00 C ATOM 1015 CE2 PHE A 68 2.298 -0.682 6.771 1.00 0.00 C ATOM 1016 CZ PHE A 68 3.302 0.261 6.700 1.00 0.00 C ATOM 0 H PHE A 68 2.691 -2.699 4.059 1.00 0.00 H new ATOM 0 HA PHE A 68 1.008 -2.402 1.709 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.998 0.027 2.552 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.148 -1.199 3.471 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.163 0.945 3.404 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.825 -1.784 5.693 1.00 0.00 H new ATOM 0 HE1 PHE A 68 4.394 1.588 5.429 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.052 -1.138 7.718 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.846 0.541 7.590 1.00 0.00 H new ATOM 1026 N VAL A 69 2.621 -1.502 0.094 1.00 0.00 N ATOM 1027 CA VAL A 69 3.583 -1.064 -0.906 1.00 0.00 C ATOM 1028 C VAL A 69 2.953 -0.084 -1.883 1.00 0.00 C ATOM 1029 O VAL A 69 1.747 0.171 -1.834 1.00 0.00 O ATOM 1030 CB VAL A 69 4.171 -2.258 -1.691 1.00 0.00 C ATOM 1031 CG1 VAL A 69 5.033 -3.129 -0.787 1.00 0.00 C ATOM 1032 CG2 VAL A 69 3.062 -3.084 -2.330 1.00 0.00 C ATOM 0 H VAL A 69 1.768 -1.908 -0.292 1.00 0.00 H new ATOM 0 HA VAL A 69 4.390 -0.566 -0.368 1.00 0.00 H new ATOM 0 HB VAL A 69 4.803 -1.860 -2.485 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.436 -3.963 -1.362 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.854 -2.535 -0.385 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.427 -3.513 0.034 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.499 -3.919 -2.877 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.400 -3.466 -1.553 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.492 -2.458 -3.017 1.00 0.00 H new ATOM 1042 N ILE A 70 3.775 0.457 -2.768 1.00 0.00 N ATOM 1043 CA ILE A 70 3.312 1.410 -3.760 1.00 0.00 C ATOM 1044 C ILE A 70 2.694 0.689 -4.949 1.00 0.00 C ATOM 1045 O ILE A 70 3.386 0.003 -5.702 1.00 0.00 O ATOM 1046 CB ILE A 70 4.460 2.315 -4.257 1.00 0.00 C ATOM 1047 CG1 ILE A 70 5.013 3.160 -3.106 1.00 0.00 C ATOM 1048 CG2 ILE A 70 3.990 3.201 -5.402 1.00 0.00 C ATOM 1049 CD1 ILE A 70 6.208 4.005 -3.490 1.00 0.00 C ATOM 0 H ILE A 70 4.772 0.250 -2.818 1.00 0.00 H new ATOM 0 HA ILE A 70 2.559 2.034 -3.279 1.00 0.00 H new ATOM 0 HB ILE A 70 5.263 1.679 -4.630 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.223 3.812 -2.734 1.00 0.00 H new ATOM 0 HG13 ILE A 70 5.295 2.500 -2.285 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.814 3.830 -5.737 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.650 2.577 -6.229 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.168 3.831 -5.061 1.00 0.00 H new ATOM 0 HD11 ILE A 70 6.544 4.575 -2.624 1.00 0.00 H new ATOM 0 HD12 ILE A 70 7.015 3.358 -3.834 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.927 4.691 -4.289 1.00 0.00 H new ATOM 1061 N SER A 71 1.391 0.843 -5.097 1.00 0.00 N ATOM 1062 CA SER A 71 0.667 0.279 -6.217 1.00 0.00 C ATOM 1063 C SER A 71 -0.354 1.301 -6.699 1.00 0.00 C ATOM 1064 O SER A 71 -1.526 1.267 -6.324 1.00 0.00 O ATOM 1065 CB SER A 71 -0.009 -1.036 -5.811 1.00 0.00 C ATOM 1066 OG SER A 71 -0.606 -1.683 -6.921 1.00 0.00 O ATOM 0 H SER A 71 0.806 1.363 -4.443 1.00 0.00 H new ATOM 0 HA SER A 71 1.356 0.050 -7.030 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.728 -1.699 -5.357 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.768 -0.837 -5.055 1.00 0.00 H new ATOM 0 HG SER A 71 -1.425 -2.138 -6.633 1.00 0.00 H new