USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 554 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 70 SER OG : rot 92:sc= -0.191 USER MOD Set 1.2: A 72 THR OG1 : rot 100:sc= 1.51 USER MOD Single : A 21 ASN : amide:sc= -0.0687 K(o=-0.069,f=-1) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 173:sc= 0.588 (180deg=0.457) USER MOD Single : A 37 GLN : amide:sc= -1.81! X(o=-1.8!,f=-1.5) USER MOD Single : A 38 ASN : amide:sc= -0.311 K(o=-0.31,f=-0.87) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN :FLIP amide:sc= -0.017 F(o=-1.1,f=-0.017) USER MOD Single : A 44 SER OG : rot 60:sc= 1.15 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 173:sc= 0.9 (180deg=0.838) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.012 USER MOD Single : A 65 MET CE :methyl -104:sc= -2.9! (180deg=-5.78!) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : B 101 SER OG : rot 34:sc= 0.154 USER MOD Single : B 102 GLN : amide:sc= -0.0104 K(o=-0.01,f=-0.82) USER MOD Single : B 104 LYS NZ :NH3+ 144:sc= -1.68 (180deg=-2.43!) USER MOD Single : B 107 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : B 112 SER OG : rot 66:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 20 -14.425 -4.175 5.354 1.00 0.00 N ATOM 2 CA GLU A 20 -14.386 -4.710 4.002 1.00 0.00 C ATOM 3 C GLU A 20 -13.674 -3.752 3.059 1.00 0.00 C ATOM 4 O GLU A 20 -13.537 -4.029 1.864 1.00 0.00 O ATOM 5 CB GLU A 20 -15.797 -4.999 3.485 1.00 0.00 C ATOM 6 CG GLU A 20 -16.526 -6.062 4.267 1.00 0.00 C ATOM 7 CD GLU A 20 -17.735 -6.599 3.528 1.00 0.00 C ATOM 8 OE1 GLU A 20 -18.821 -5.989 3.641 1.00 0.00 O ATOM 9 OE2 GLU A 20 -17.615 -7.632 2.839 1.00 0.00 O ATOM 0 HA GLU A 20 -13.829 -5.647 4.035 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -16.379 -4.078 3.512 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -15.735 -5.307 2.441 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.842 -6.883 4.483 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -16.843 -5.650 5.225 1.00 0.00 H new ATOM 16 N ASN A 21 -13.215 -2.623 3.596 1.00 0.00 N ATOM 17 CA ASN A 21 -12.480 -1.647 2.801 1.00 0.00 C ATOM 18 C ASN A 21 -11.039 -2.115 2.606 1.00 0.00 C ATOM 19 O ASN A 21 -10.087 -1.438 2.989 1.00 0.00 O ATOM 20 CB ASN A 21 -12.508 -0.264 3.462 1.00 0.00 C ATOM 21 CG ASN A 21 -11.989 0.824 2.539 1.00 0.00 C ATOM 22 OD1 ASN A 21 -12.146 0.748 1.319 1.00 0.00 O ATOM 23 ND2 ASN A 21 -11.369 1.842 3.108 1.00 0.00 N ATOM 0 H ASN A 21 -13.340 -2.364 4.575 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.963 -1.562 1.827 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -13.529 -0.027 3.762 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -11.906 -0.285 4.370 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -11.001 2.600 2.534 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.258 1.870 4.122 1.00 0.00 H new ATOM 30 N VAL A 22 -10.905 -3.310 2.056 1.00 0.00 N ATOM 31 CA VAL A 22 -9.609 -3.868 1.710 1.00 0.00 C ATOM 32 C VAL A 22 -9.675 -4.442 0.297 1.00 0.00 C ATOM 33 O VAL A 22 -8.733 -5.077 -0.180 1.00 0.00 O ATOM 34 CB VAL A 22 -9.198 -4.983 2.705 1.00 0.00 C ATOM 35 CG1 VAL A 22 -9.885 -6.302 2.366 1.00 0.00 C ATOM 36 CG2 VAL A 22 -7.687 -5.151 2.747 1.00 0.00 C ATOM 0 H VAL A 22 -11.692 -3.921 1.837 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.862 -3.075 1.761 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.528 -4.679 3.698 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -9.578 -7.066 3.080 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -10.966 -6.172 2.415 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.602 -6.611 1.360 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.428 -5.940 3.453 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.323 -5.418 1.755 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.226 -4.215 3.063 1.00 0.00 H new ATOM 46 N LEU A 23 -10.814 -4.203 -0.354 1.00 0.00 N ATOM 47 CA LEU A 23 -11.112 -4.770 -1.665 1.00 0.00 C ATOM 48 C LEU A 23 -10.052 -4.397 -2.691 1.00 0.00 C ATOM 49 O LEU A 23 -9.954 -3.240 -3.107 1.00 0.00 O ATOM 50 CB LEU A 23 -12.490 -4.298 -2.137 1.00 0.00 C ATOM 51 CG LEU A 23 -12.849 -4.648 -3.585 1.00 0.00 C ATOM 52 CD1 LEU A 23 -12.811 -6.151 -3.809 1.00 0.00 C ATOM 53 CD2 LEU A 23 -14.216 -4.090 -3.943 1.00 0.00 C ATOM 0 H LEU A 23 -11.556 -3.609 0.016 1.00 0.00 H new ATOM 0 HA LEU A 23 -11.113 -5.856 -1.568 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -13.246 -4.728 -1.480 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -12.543 -3.216 -2.020 1.00 0.00 H new ATOM 0 HG LEU A 23 -12.105 -4.191 -4.238 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -13.070 -6.371 -4.845 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -11.809 -6.525 -3.598 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -13.527 -6.636 -3.145 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -14.455 -4.348 -4.975 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -14.968 -4.516 -3.279 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -14.207 -3.006 -3.833 1.00 0.00 H new ATOM 65 N PRO A 24 -9.249 -5.387 -3.105 1.00 0.00 N ATOM 66 CA PRO A 24 -8.183 -5.198 -4.086 1.00 0.00 C ATOM 67 C PRO A 24 -8.734 -4.870 -5.466 1.00 0.00 C ATOM 68 O PRO A 24 -9.661 -5.522 -5.949 1.00 0.00 O ATOM 69 CB PRO A 24 -7.460 -6.552 -4.103 1.00 0.00 C ATOM 70 CG PRO A 24 -7.914 -7.259 -2.876 1.00 0.00 C ATOM 71 CD PRO A 24 -9.313 -6.781 -2.642 1.00 0.00 C ATOM 0 HA PRO A 24 -7.532 -4.363 -3.827 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -7.711 -7.120 -4.999 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.378 -6.419 -4.102 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.885 -8.340 -3.011 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -7.271 -7.026 -2.027 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -10.042 -7.364 -3.206 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.595 -6.848 -1.591 1.00 0.00 H new ATOM 79 N ARG A 25 -8.172 -3.848 -6.087 1.00 0.00 N ATOM 80 CA ARG A 25 -8.588 -3.439 -7.420 1.00 0.00 C ATOM 81 C ARG A 25 -7.424 -3.531 -8.399 1.00 0.00 C ATOM 82 O ARG A 25 -6.265 -3.546 -7.981 1.00 0.00 O ATOM 83 CB ARG A 25 -9.148 -2.018 -7.397 1.00 0.00 C ATOM 84 CG ARG A 25 -10.484 -1.889 -6.683 1.00 0.00 C ATOM 85 CD ARG A 25 -10.981 -0.455 -6.698 1.00 0.00 C ATOM 86 NE ARG A 25 -12.313 -0.329 -6.109 1.00 0.00 N ATOM 87 CZ ARG A 25 -13.204 0.588 -6.480 1.00 0.00 C ATOM 88 NH1 ARG A 25 -12.884 1.495 -7.395 1.00 0.00 N ATOM 89 NH2 ARG A 25 -14.412 0.609 -5.929 1.00 0.00 N ATOM 0 H ARG A 25 -7.422 -3.283 -5.688 1.00 0.00 H new ATOM 0 HA ARG A 25 -9.374 -4.117 -7.752 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -8.425 -1.362 -6.913 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -9.261 -1.667 -8.423 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -11.219 -2.536 -7.162 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -10.383 -2.230 -5.653 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -10.282 0.176 -6.150 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -11.003 -0.090 -7.725 1.00 0.00 H new ATOM 0 HE ARG A 25 -12.575 -0.982 -5.370 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -11.954 1.490 -7.815 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -13.568 2.197 -7.678 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -14.660 -0.079 -5.218 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -15.091 1.313 -6.216 1.00 0.00 H new ATOM 103 N GLU A 26 -7.723 -3.574 -9.691 1.00 0.00 N ATOM 104 CA GLU A 26 -6.686 -3.786 -10.702 1.00 0.00 C ATOM 105 C GLU A 26 -5.693 -2.613 -10.777 1.00 0.00 C ATOM 106 O GLU A 26 -4.485 -2.817 -10.622 1.00 0.00 O ATOM 107 CB GLU A 26 -7.312 -4.008 -12.080 1.00 0.00 C ATOM 108 CG GLU A 26 -8.339 -5.121 -12.128 1.00 0.00 C ATOM 109 CD GLU A 26 -8.902 -5.306 -13.518 1.00 0.00 C ATOM 110 OE1 GLU A 26 -9.744 -4.485 -13.937 1.00 0.00 O ATOM 111 OE2 GLU A 26 -8.529 -6.293 -14.187 1.00 0.00 O ATOM 0 H GLU A 26 -8.666 -3.466 -10.065 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.134 -4.676 -10.400 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.783 -3.081 -12.405 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.519 -4.230 -12.794 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.881 -6.052 -11.794 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.150 -4.898 -11.434 1.00 0.00 H new ATOM 118 N PRO A 27 -6.171 -1.363 -10.981 1.00 0.00 N ATOM 119 CA PRO A 27 -5.284 -0.209 -11.155 1.00 0.00 C ATOM 120 C PRO A 27 -4.727 0.308 -9.837 1.00 0.00 C ATOM 121 O PRO A 27 -3.741 1.040 -9.817 1.00 0.00 O ATOM 122 CB PRO A 27 -6.197 0.838 -11.787 1.00 0.00 C ATOM 123 CG PRO A 27 -7.546 0.526 -11.257 1.00 0.00 C ATOM 124 CD PRO A 27 -7.595 -0.968 -11.080 1.00 0.00 C ATOM 0 HA PRO A 27 -4.407 -0.459 -11.753 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -5.889 1.848 -11.517 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -6.175 0.778 -12.875 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.719 1.036 -10.309 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.322 0.862 -11.945 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -8.150 -1.246 -10.184 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.087 -1.454 -11.923 1.00 0.00 H new ATOM 132 N LEU A 28 -5.356 -0.091 -8.742 1.00 0.00 N ATOM 133 CA LEU A 28 -4.984 0.403 -7.426 1.00 0.00 C ATOM 134 C LEU A 28 -3.577 -0.070 -7.062 1.00 0.00 C ATOM 135 O LEU A 28 -2.843 0.619 -6.357 1.00 0.00 O ATOM 136 CB LEU A 28 -6.013 -0.061 -6.390 1.00 0.00 C ATOM 137 CG LEU A 28 -6.116 0.797 -5.126 1.00 0.00 C ATOM 138 CD1 LEU A 28 -7.516 0.707 -4.546 1.00 0.00 C ATOM 139 CD2 LEU A 28 -5.092 0.362 -4.086 1.00 0.00 C ATOM 0 H LEU A 28 -6.128 -0.757 -8.739 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.976 1.493 -7.437 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.993 -0.092 -6.867 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.770 -1.082 -6.095 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.907 1.831 -5.400 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.578 1.321 -3.647 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.238 1.065 -5.280 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.739 -0.330 -4.293 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.187 0.988 -3.198 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.267 -0.679 -3.816 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.088 0.466 -4.498 1.00 0.00 H new ATOM 151 N ILE A 29 -3.201 -1.241 -7.571 1.00 0.00 N ATOM 152 CA ILE A 29 -1.848 -1.754 -7.386 1.00 0.00 C ATOM 153 C ILE A 29 -0.841 -0.843 -8.087 1.00 0.00 C ATOM 154 O ILE A 29 0.251 -0.587 -7.575 1.00 0.00 O ATOM 155 CB ILE A 29 -1.705 -3.189 -7.942 1.00 0.00 C ATOM 156 CG1 ILE A 29 -2.767 -4.107 -7.331 1.00 0.00 C ATOM 157 CG2 ILE A 29 -0.311 -3.733 -7.659 1.00 0.00 C ATOM 158 CD1 ILE A 29 -2.778 -5.502 -7.921 1.00 0.00 C ATOM 0 H ILE A 29 -3.813 -1.850 -8.113 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.648 -1.776 -6.315 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.853 -3.157 -9.021 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.599 -4.178 -6.256 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.749 -3.655 -7.471 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.227 -4.744 -8.057 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.433 -3.093 -8.134 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.139 -3.751 -6.583 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.556 -6.095 -7.439 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.977 -5.443 -8.991 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.809 -5.974 -7.758 1.00 0.00 H new ATOM 170 N ALA A 30 -1.234 -0.336 -9.250 1.00 0.00 N ATOM 171 CA ALA A 30 -0.389 0.570 -10.013 1.00 0.00 C ATOM 172 C ALA A 30 -0.294 1.924 -9.319 1.00 0.00 C ATOM 173 O ALA A 30 0.769 2.543 -9.285 1.00 0.00 O ATOM 174 CB ALA A 30 -0.920 0.726 -11.429 1.00 0.00 C ATOM 0 H ALA A 30 -2.134 -0.539 -9.684 1.00 0.00 H new ATOM 0 HA ALA A 30 0.613 0.145 -10.069 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.276 1.407 -11.986 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.933 -0.246 -11.922 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.932 1.129 -11.396 1.00 0.00 H new ATOM 180 N THR A 31 -1.410 2.379 -8.759 1.00 0.00 N ATOM 181 CA THR A 31 -1.423 3.603 -7.977 1.00 0.00 C ATOM 182 C THR A 31 -0.497 3.463 -6.770 1.00 0.00 C ATOM 183 O THR A 31 0.227 4.395 -6.413 1.00 0.00 O ATOM 184 CB THR A 31 -2.846 3.940 -7.492 1.00 0.00 C ATOM 185 OG1 THR A 31 -3.755 3.906 -8.600 1.00 0.00 O ATOM 186 CG2 THR A 31 -2.882 5.318 -6.839 1.00 0.00 C ATOM 0 H THR A 31 -2.316 1.916 -8.834 1.00 0.00 H new ATOM 0 HA THR A 31 -1.074 4.413 -8.618 1.00 0.00 H new ATOM 0 HB THR A 31 -3.145 3.198 -6.752 1.00 0.00 H new ATOM 0 HG1 THR A 31 -4.659 4.119 -8.288 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.896 5.535 -6.504 1.00 0.00 H new ATOM 0 HG22 THR A 31 -2.206 5.333 -5.984 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.569 6.071 -7.562 1.00 0.00 H new ATOM 194 N ALA A 32 -0.514 2.279 -6.164 1.00 0.00 N ATOM 195 CA ALA A 32 0.322 1.996 -5.011 1.00 0.00 C ATOM 196 C ALA A 32 1.796 1.984 -5.383 1.00 0.00 C ATOM 197 O ALA A 32 2.602 2.629 -4.723 1.00 0.00 O ATOM 198 CB ALA A 32 -0.072 0.676 -4.370 1.00 0.00 C ATOM 0 H ALA A 32 -1.102 1.499 -6.458 1.00 0.00 H new ATOM 0 HA ALA A 32 0.164 2.796 -4.287 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.568 0.485 -3.508 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.112 0.725 -4.046 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.045 -0.130 -5.095 1.00 0.00 H new ATOM 204 N VAL A 33 2.149 1.264 -6.443 1.00 0.00 N ATOM 205 CA VAL A 33 3.546 1.169 -6.850 1.00 0.00 C ATOM 206 C VAL A 33 4.076 2.539 -7.282 1.00 0.00 C ATOM 207 O VAL A 33 5.238 2.868 -7.030 1.00 0.00 O ATOM 208 CB VAL A 33 3.763 0.122 -7.970 1.00 0.00 C ATOM 209 CG1 VAL A 33 3.197 0.591 -9.296 1.00 0.00 C ATOM 210 CG2 VAL A 33 5.237 -0.224 -8.106 1.00 0.00 C ATOM 0 H VAL A 33 1.496 0.744 -7.029 1.00 0.00 H new ATOM 0 HA VAL A 33 4.110 0.830 -5.981 1.00 0.00 H new ATOM 0 HB VAL A 33 3.221 -0.779 -7.684 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.370 -0.172 -10.055 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.126 0.765 -9.193 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.688 1.517 -9.594 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.366 -0.961 -8.898 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.801 0.676 -8.352 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.603 -0.635 -7.165 1.00 0.00 H new ATOM 220 N LYS A 34 3.214 3.341 -7.910 1.00 0.00 N ATOM 221 CA LYS A 34 3.550 4.727 -8.230 1.00 0.00 C ATOM 222 C LYS A 34 3.873 5.472 -6.951 1.00 0.00 C ATOM 223 O LYS A 34 4.922 6.103 -6.830 1.00 0.00 O ATOM 224 CB LYS A 34 2.389 5.422 -8.966 1.00 0.00 C ATOM 225 CG LYS A 34 2.559 6.935 -9.137 1.00 0.00 C ATOM 226 CD LYS A 34 1.992 7.729 -7.956 1.00 0.00 C ATOM 227 CE LYS A 34 0.488 7.555 -7.831 1.00 0.00 C ATOM 228 NZ LYS A 34 -0.226 8.030 -9.044 1.00 0.00 N ATOM 0 H LYS A 34 2.281 3.054 -8.206 1.00 0.00 H new ATOM 0 HA LYS A 34 4.418 4.733 -8.889 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.277 4.968 -9.951 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.465 5.233 -8.420 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.618 7.167 -9.251 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.063 7.251 -10.054 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.474 7.403 -7.034 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.227 8.786 -8.082 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.257 6.503 -7.662 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.130 8.104 -6.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.235 7.787 -8.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.123 9.062 -9.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.179 7.574 -9.886 1.00 0.00 H new ATOM 242 N PHE A 35 2.947 5.372 -6.004 1.00 0.00 N ATOM 243 CA PHE A 35 3.080 5.999 -4.703 1.00 0.00 C ATOM 244 C PHE A 35 4.424 5.651 -4.076 1.00 0.00 C ATOM 245 O PHE A 35 5.193 6.528 -3.689 1.00 0.00 O ATOM 246 CB PHE A 35 1.946 5.523 -3.806 1.00 0.00 C ATOM 247 CG PHE A 35 1.966 6.158 -2.461 1.00 0.00 C ATOM 248 CD1 PHE A 35 1.478 7.436 -2.291 1.00 0.00 C ATOM 249 CD2 PHE A 35 2.476 5.480 -1.373 1.00 0.00 C ATOM 250 CE1 PHE A 35 1.498 8.031 -1.061 1.00 0.00 C ATOM 251 CE2 PHE A 35 2.501 6.068 -0.131 1.00 0.00 C ATOM 252 CZ PHE A 35 2.009 7.349 0.028 1.00 0.00 C ATOM 0 H PHE A 35 2.079 4.849 -6.122 1.00 0.00 H new ATOM 0 HA PHE A 35 3.029 7.082 -4.818 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.993 5.737 -4.289 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.009 4.441 -3.692 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.076 7.972 -3.138 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.859 4.478 -1.498 1.00 0.00 H new ATOM 0 HE1 PHE A 35 1.115 9.033 -0.939 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.903 5.532 0.716 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.023 7.817 1.001 1.00 0.00 H new ATOM 262 N LEU A 36 4.702 4.356 -4.015 1.00 0.00 N ATOM 263 CA LEU A 36 5.904 3.842 -3.373 1.00 0.00 C ATOM 264 C LEU A 36 7.171 4.390 -4.023 1.00 0.00 C ATOM 265 O LEU A 36 8.125 4.757 -3.335 1.00 0.00 O ATOM 266 CB LEU A 36 5.911 2.312 -3.435 1.00 0.00 C ATOM 267 CG LEU A 36 4.632 1.639 -2.932 1.00 0.00 C ATOM 268 CD1 LEU A 36 4.671 0.145 -3.191 1.00 0.00 C ATOM 269 CD2 LEU A 36 4.419 1.919 -1.453 1.00 0.00 C ATOM 0 H LEU A 36 4.101 3.632 -4.409 1.00 0.00 H new ATOM 0 HA LEU A 36 5.893 4.171 -2.334 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.083 2.006 -4.467 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.753 1.943 -2.849 1.00 0.00 H new ATOM 0 HG LEU A 36 3.791 2.060 -3.484 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.752 -0.312 -2.825 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.765 -0.036 -4.262 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.525 -0.292 -2.673 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.504 1.430 -1.118 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.265 1.533 -0.884 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.335 2.994 -1.295 1.00 0.00 H new ATOM 281 N GLN A 37 7.162 4.480 -5.342 1.00 0.00 N ATOM 282 CA GLN A 37 8.361 4.824 -6.097 1.00 0.00 C ATOM 283 C GLN A 37 8.563 6.330 -6.220 1.00 0.00 C ATOM 284 O GLN A 37 9.092 6.816 -7.220 1.00 0.00 O ATOM 285 CB GLN A 37 8.303 4.182 -7.476 1.00 0.00 C ATOM 286 CG GLN A 37 8.400 2.671 -7.419 1.00 0.00 C ATOM 287 CD GLN A 37 8.091 2.015 -8.751 1.00 0.00 C ATOM 288 OE1 GLN A 37 7.294 2.524 -9.540 1.00 0.00 O ATOM 289 NE2 GLN A 37 8.734 0.889 -9.019 1.00 0.00 N ATOM 0 H GLN A 37 6.335 4.319 -5.917 1.00 0.00 H new ATOM 0 HA GLN A 37 9.217 4.436 -5.546 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.371 4.464 -7.965 1.00 0.00 H new ATOM 0 HB3 GLN A 37 9.116 4.572 -8.089 1.00 0.00 H new ATOM 0 HG2 GLN A 37 9.404 2.387 -7.103 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.709 2.295 -6.664 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.386 0.500 -8.338 1.00 0.00 H new ATOM 0 HE22 GLN A 37 8.577 0.411 -9.906 1.00 0.00 H new ATOM 298 N ASN A 38 8.138 7.068 -5.209 1.00 0.00 N ATOM 299 CA ASN A 38 8.465 8.485 -5.116 1.00 0.00 C ATOM 300 C ASN A 38 9.594 8.686 -4.115 1.00 0.00 C ATOM 301 O ASN A 38 9.691 9.728 -3.460 1.00 0.00 O ATOM 302 CB ASN A 38 7.239 9.321 -4.742 1.00 0.00 C ATOM 303 CG ASN A 38 6.381 9.638 -5.956 1.00 0.00 C ATOM 304 OD1 ASN A 38 5.484 8.878 -6.310 1.00 0.00 O ATOM 305 ND2 ASN A 38 6.648 10.764 -6.602 1.00 0.00 N ATOM 0 H ASN A 38 7.567 6.713 -4.442 1.00 0.00 H new ATOM 0 HA ASN A 38 8.797 8.829 -6.096 1.00 0.00 H new ATOM 0 HB2 ASN A 38 6.642 8.782 -4.006 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.562 10.250 -4.272 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.100 11.023 -7.422 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.401 11.371 -6.279 1.00 0.00 H new ATOM 312 N SER A 39 10.431 7.651 -4.002 1.00 0.00 N ATOM 313 CA SER A 39 11.634 7.664 -3.169 1.00 0.00 C ATOM 314 C SER A 39 11.307 7.650 -1.676 1.00 0.00 C ATOM 315 O SER A 39 11.565 6.659 -0.989 1.00 0.00 O ATOM 316 CB SER A 39 12.518 8.867 -3.514 1.00 0.00 C ATOM 317 OG SER A 39 12.832 8.881 -4.899 1.00 0.00 O ATOM 0 H SER A 39 10.289 6.769 -4.494 1.00 0.00 H new ATOM 0 HA SER A 39 12.182 6.748 -3.387 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.006 9.790 -3.243 1.00 0.00 H new ATOM 0 HB3 SER A 39 13.437 8.829 -2.929 1.00 0.00 H new ATOM 0 HG SER A 39 13.395 9.658 -5.099 1.00 0.00 H new ATOM 323 N ARG A 40 10.709 8.735 -1.195 1.00 0.00 N ATOM 324 CA ARG A 40 10.463 8.922 0.231 1.00 0.00 C ATOM 325 C ARG A 40 9.628 7.784 0.812 1.00 0.00 C ATOM 326 O ARG A 40 9.853 7.356 1.943 1.00 0.00 O ATOM 327 CB ARG A 40 9.762 10.263 0.462 1.00 0.00 C ATOM 328 CG ARG A 40 9.601 10.632 1.927 1.00 0.00 C ATOM 329 CD ARG A 40 8.928 11.984 2.085 1.00 0.00 C ATOM 330 NE ARG A 40 9.664 13.042 1.393 1.00 0.00 N ATOM 331 CZ ARG A 40 9.096 14.098 0.815 1.00 0.00 C ATOM 332 NH1 ARG A 40 7.780 14.275 0.884 1.00 0.00 N ATOM 333 NH2 ARG A 40 9.849 14.983 0.175 1.00 0.00 N ATOM 0 H ARG A 40 10.383 9.505 -1.778 1.00 0.00 H new ATOM 0 HA ARG A 40 11.425 8.919 0.744 1.00 0.00 H new ATOM 0 HB2 ARG A 40 10.328 11.048 -0.040 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.777 10.232 -0.005 1.00 0.00 H new ATOM 0 HG2 ARG A 40 9.011 9.868 2.434 1.00 0.00 H new ATOM 0 HG3 ARG A 40 10.579 10.652 2.409 1.00 0.00 H new ATOM 0 HD2 ARG A 40 7.912 11.932 1.693 1.00 0.00 H new ATOM 0 HD3 ARG A 40 8.849 12.229 3.144 1.00 0.00 H new ATOM 0 HE ARG A 40 10.680 12.965 1.351 1.00 0.00 H new ATOM 0 HH11 ARG A 40 7.200 13.600 1.382 1.00 0.00 H new ATOM 0 HH12 ARG A 40 7.350 15.086 0.439 1.00 0.00 H new ATOM 0 HH21 ARG A 40 10.860 14.853 0.127 1.00 0.00 H new ATOM 0 HH22 ARG A 40 9.417 15.793 -0.269 1.00 0.00 H new ATOM 347 N VAL A 41 8.683 7.280 0.025 1.00 0.00 N ATOM 348 CA VAL A 41 7.780 6.237 0.497 1.00 0.00 C ATOM 349 C VAL A 41 8.538 4.960 0.845 1.00 0.00 C ATOM 350 O VAL A 41 8.303 4.365 1.891 1.00 0.00 O ATOM 351 CB VAL A 41 6.679 5.911 -0.530 1.00 0.00 C ATOM 352 CG1 VAL A 41 5.735 4.863 0.032 1.00 0.00 C ATOM 353 CG2 VAL A 41 5.914 7.167 -0.890 1.00 0.00 C ATOM 0 H VAL A 41 8.523 7.575 -0.938 1.00 0.00 H new ATOM 0 HA VAL A 41 7.306 6.631 1.396 1.00 0.00 H new ATOM 0 HB VAL A 41 7.145 5.515 -1.432 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.961 4.640 -0.702 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.293 3.954 0.258 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.273 5.241 0.944 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.138 6.925 -1.617 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.454 7.583 0.007 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.598 7.899 -1.320 1.00 0.00 H new ATOM 363 N ARG A 42 9.467 4.557 -0.018 1.00 0.00 N ATOM 364 CA ARG A 42 10.218 3.320 0.202 1.00 0.00 C ATOM 365 C ARG A 42 11.128 3.461 1.421 1.00 0.00 C ATOM 366 O ARG A 42 11.586 2.471 1.987 1.00 0.00 O ATOM 367 CB ARG A 42 11.061 2.956 -1.028 1.00 0.00 C ATOM 368 CG ARG A 42 10.283 2.998 -2.331 1.00 0.00 C ATOM 369 CD ARG A 42 10.996 2.259 -3.455 1.00 0.00 C ATOM 370 NE ARG A 42 12.375 2.703 -3.648 1.00 0.00 N ATOM 371 CZ ARG A 42 13.322 1.952 -4.217 1.00 0.00 C ATOM 372 NH1 ARG A 42 13.037 0.727 -4.653 1.00 0.00 N ATOM 373 NH2 ARG A 42 14.548 2.434 -4.358 1.00 0.00 N ATOM 0 H ARG A 42 9.718 5.062 -0.868 1.00 0.00 H new ATOM 0 HA ARG A 42 9.497 2.521 0.377 1.00 0.00 H new ATOM 0 HB2 ARG A 42 11.905 3.642 -1.096 1.00 0.00 H new ATOM 0 HB3 ARG A 42 11.473 1.956 -0.893 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.298 2.558 -2.177 1.00 0.00 H new ATOM 0 HG3 ARG A 42 10.126 4.036 -2.624 1.00 0.00 H new ATOM 0 HD2 ARG A 42 10.991 1.190 -3.240 1.00 0.00 H new ATOM 0 HD3 ARG A 42 10.442 2.400 -4.383 1.00 0.00 H new ATOM 0 HE ARG A 42 12.629 3.639 -3.330 1.00 0.00 H new ATOM 0 HH11 ARG A 42 12.092 0.357 -4.553 1.00 0.00 H new ATOM 0 HH12 ARG A 42 13.764 0.158 -5.087 1.00 0.00 H new ATOM 0 HH21 ARG A 42 14.766 3.376 -4.033 1.00 0.00 H new ATOM 0 HH22 ARG A 42 15.274 1.863 -4.792 1.00 0.00 H new ATOM 387 N GLN A 43 11.386 4.702 1.811 1.00 0.00 N ATOM 388 CA GLN A 43 12.216 4.988 2.975 1.00 0.00 C ATOM 389 C GLN A 43 11.348 5.238 4.209 1.00 0.00 C ATOM 390 O GLN A 43 11.856 5.489 5.304 1.00 0.00 O ATOM 391 CB GLN A 43 13.110 6.197 2.697 1.00 0.00 C ATOM 392 CG GLN A 43 14.021 6.000 1.496 1.00 0.00 C ATOM 393 CD GLN A 43 14.841 7.232 1.160 1.00 0.00 C ATOM 394 OE1 GLN A 43 14.302 8.407 1.445 1.00 0.00 O flip ATOM 395 NE2 GLN A 43 15.953 7.126 0.642 1.00 0.00 N flip ATOM 0 H GLN A 43 11.030 5.532 1.336 1.00 0.00 H new ATOM 0 HA GLN A 43 12.847 4.122 3.173 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.484 7.074 2.531 1.00 0.00 H new ATOM 0 HB3 GLN A 43 13.719 6.402 3.578 1.00 0.00 H new ATOM 0 HG2 GLN A 43 14.694 5.165 1.692 1.00 0.00 H new ATOM 0 HG3 GLN A 43 13.417 5.726 0.631 1.00 0.00 H new ATOM 0 HE21 GLN A 43 16.334 6.202 0.438 1.00 0.00 H new ATOM 0 HE22 GLN A 43 16.493 7.962 0.417 1.00 0.00 H new ATOM 404 N SER A 44 10.038 5.173 4.014 1.00 0.00 N ATOM 405 CA SER A 44 9.082 5.298 5.103 1.00 0.00 C ATOM 406 C SER A 44 8.825 3.919 5.710 1.00 0.00 C ATOM 407 O SER A 44 8.975 2.901 5.029 1.00 0.00 O ATOM 408 CB SER A 44 7.774 5.910 4.579 1.00 0.00 C ATOM 409 OG SER A 44 8.013 7.165 3.964 1.00 0.00 O ATOM 0 H SER A 44 9.610 5.033 3.099 1.00 0.00 H new ATOM 0 HA SER A 44 9.485 5.954 5.874 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.312 5.231 3.862 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.070 6.032 5.402 1.00 0.00 H new ATOM 0 HG SER A 44 8.635 7.049 3.215 1.00 0.00 H new ATOM 415 N PRO A 45 8.448 3.860 6.993 1.00 0.00 N ATOM 416 CA PRO A 45 8.234 2.590 7.695 1.00 0.00 C ATOM 417 C PRO A 45 7.130 1.747 7.059 1.00 0.00 C ATOM 418 O PRO A 45 6.113 2.273 6.594 1.00 0.00 O ATOM 419 CB PRO A 45 7.821 3.019 9.109 1.00 0.00 C ATOM 420 CG PRO A 45 7.374 4.433 8.976 1.00 0.00 C ATOM 421 CD PRO A 45 8.195 5.019 7.864 1.00 0.00 C ATOM 0 HA PRO A 45 9.126 1.964 7.667 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.020 2.388 9.493 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.655 2.934 9.805 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.310 4.487 8.746 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.528 4.981 9.906 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.658 5.809 7.339 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.123 5.456 8.234 1.00 0.00 H new ATOM 429 N LEU A 46 7.344 0.430 7.043 1.00 0.00 N ATOM 430 CA LEU A 46 6.363 -0.513 6.517 1.00 0.00 C ATOM 431 C LEU A 46 5.084 -0.471 7.337 1.00 0.00 C ATOM 432 O LEU A 46 4.022 -0.849 6.851 1.00 0.00 O ATOM 433 CB LEU A 46 6.919 -1.941 6.506 1.00 0.00 C ATOM 434 CG LEU A 46 7.897 -2.258 5.376 1.00 0.00 C ATOM 435 CD1 LEU A 46 8.531 -3.622 5.591 1.00 0.00 C ATOM 436 CD2 LEU A 46 7.182 -2.220 4.035 1.00 0.00 C ATOM 0 H LEU A 46 8.197 -0.008 7.392 1.00 0.00 H new ATOM 0 HA LEU A 46 6.141 -0.217 5.492 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.418 -2.125 7.457 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.083 -2.637 6.445 1.00 0.00 H new ATOM 0 HG LEU A 46 8.683 -1.503 5.377 1.00 0.00 H new ATOM 0 HD11 LEU A 46 9.225 -3.833 4.777 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.070 -3.627 6.538 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.753 -4.386 5.612 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.890 -2.448 3.238 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.380 -2.958 4.029 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.762 -1.227 3.874 1.00 0.00 H new ATOM 448 N ALA A 47 5.196 -0.029 8.584 1.00 0.00 N ATOM 449 CA ALA A 47 4.030 0.160 9.434 1.00 0.00 C ATOM 450 C ALA A 47 3.015 1.069 8.748 1.00 0.00 C ATOM 451 O ALA A 47 1.824 0.757 8.693 1.00 0.00 O ATOM 452 CB ALA A 47 4.439 0.735 10.781 1.00 0.00 C ATOM 0 H ALA A 47 6.084 0.205 9.028 1.00 0.00 H new ATOM 0 HA ALA A 47 3.564 -0.811 9.604 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.554 0.869 11.403 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.129 0.050 11.275 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.928 1.698 10.632 1.00 0.00 H new ATOM 458 N THR A 48 3.493 2.188 8.216 1.00 0.00 N ATOM 459 CA THR A 48 2.645 3.077 7.446 1.00 0.00 C ATOM 460 C THR A 48 2.284 2.440 6.114 1.00 0.00 C ATOM 461 O THR A 48 1.119 2.192 5.847 1.00 0.00 O ATOM 462 CB THR A 48 3.313 4.439 7.185 1.00 0.00 C ATOM 463 OG1 THR A 48 3.675 5.051 8.429 1.00 0.00 O ATOM 464 CG2 THR A 48 2.372 5.358 6.408 1.00 0.00 C ATOM 0 H THR A 48 4.461 2.497 8.306 1.00 0.00 H new ATOM 0 HA THR A 48 1.746 3.247 8.038 1.00 0.00 H new ATOM 0 HB THR A 48 4.211 4.277 6.589 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.101 5.916 8.256 1.00 0.00 H new ATOM 0 HG21 THR A 48 2.862 6.316 6.233 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.122 4.898 5.452 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.460 5.516 6.984 1.00 0.00 H new ATOM 472 N ARG A 49 3.303 2.129 5.317 1.00 0.00 N ATOM 473 CA ARG A 49 3.109 1.685 3.936 1.00 0.00 C ATOM 474 C ARG A 49 2.139 0.510 3.814 1.00 0.00 C ATOM 475 O ARG A 49 1.237 0.542 2.982 1.00 0.00 O ATOM 476 CB ARG A 49 4.448 1.303 3.307 1.00 0.00 C ATOM 477 CG ARG A 49 5.203 2.470 2.698 1.00 0.00 C ATOM 478 CD ARG A 49 6.469 2.002 1.998 1.00 0.00 C ATOM 479 NE ARG A 49 7.548 1.699 2.936 1.00 0.00 N ATOM 480 CZ ARG A 49 8.424 0.704 2.787 1.00 0.00 C ATOM 481 NH1 ARG A 49 8.333 -0.135 1.760 1.00 0.00 N ATOM 482 NH2 ARG A 49 9.397 0.551 3.671 1.00 0.00 N ATOM 0 H ARG A 49 4.280 2.176 5.606 1.00 0.00 H new ATOM 0 HA ARG A 49 2.668 2.528 3.403 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.074 0.836 4.067 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.274 0.554 2.534 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.562 2.989 1.986 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.460 3.187 3.478 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.246 1.114 1.407 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.802 2.773 1.303 1.00 0.00 H new ATOM 0 HE ARG A 49 7.638 2.290 3.763 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.587 -0.022 1.074 1.00 0.00 H new ATOM 0 HH12 ARG A 49 9.009 -0.892 1.658 1.00 0.00 H new ATOM 0 HH21 ARG A 49 9.474 1.192 4.461 1.00 0.00 H new ATOM 0 HH22 ARG A 49 10.070 -0.208 3.563 1.00 0.00 H new ATOM 496 N ARG A 50 2.315 -0.512 4.644 1.00 0.00 N ATOM 497 CA ARG A 50 1.519 -1.730 4.522 1.00 0.00 C ATOM 498 C ARG A 50 0.052 -1.475 4.861 1.00 0.00 C ATOM 499 O ARG A 50 -0.831 -1.783 4.066 1.00 0.00 O ATOM 500 CB ARG A 50 2.096 -2.846 5.395 1.00 0.00 C ATOM 501 CG ARG A 50 3.503 -3.243 4.982 1.00 0.00 C ATOM 502 CD ARG A 50 3.991 -4.486 5.707 1.00 0.00 C ATOM 503 NE ARG A 50 4.214 -4.273 7.137 1.00 0.00 N ATOM 504 CZ ARG A 50 4.602 -5.240 7.971 1.00 0.00 C ATOM 505 NH1 ARG A 50 4.755 -6.486 7.525 1.00 0.00 N ATOM 506 NH2 ARG A 50 4.838 -4.970 9.247 1.00 0.00 N ATOM 0 H ARG A 50 2.996 -0.523 5.403 1.00 0.00 H new ATOM 0 HA ARG A 50 1.565 -2.053 3.482 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.105 -2.521 6.435 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.445 -3.719 5.340 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.527 -3.420 3.907 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.185 -2.417 5.184 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.261 -5.285 5.575 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.920 -4.824 5.248 1.00 0.00 H new ATOM 0 HE ARG A 50 4.065 -3.338 7.516 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.576 -6.702 6.544 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.052 -7.224 8.164 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.723 -4.019 9.597 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.134 -5.714 9.879 1.00 0.00 H new ATOM 520 N ALA A 51 -0.206 -0.890 6.022 1.00 0.00 N ATOM 521 CA ALA A 51 -1.576 -0.591 6.427 1.00 0.00 C ATOM 522 C ALA A 51 -2.199 0.435 5.481 1.00 0.00 C ATOM 523 O ALA A 51 -3.389 0.378 5.175 1.00 0.00 O ATOM 524 CB ALA A 51 -1.609 -0.090 7.864 1.00 0.00 C ATOM 0 H ALA A 51 0.507 -0.614 6.697 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.163 -1.508 6.372 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.638 0.128 8.150 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.203 -0.855 8.526 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.009 0.816 7.947 1.00 0.00 H new ATOM 530 N PHE A 52 -1.363 1.348 5.012 1.00 0.00 N ATOM 531 CA PHE A 52 -1.765 2.404 4.095 1.00 0.00 C ATOM 532 C PHE A 52 -2.441 1.857 2.841 1.00 0.00 C ATOM 533 O PHE A 52 -3.635 2.074 2.642 1.00 0.00 O ATOM 534 CB PHE A 52 -0.540 3.234 3.732 1.00 0.00 C ATOM 535 CG PHE A 52 -0.755 4.164 2.597 1.00 0.00 C ATOM 536 CD1 PHE A 52 -0.144 3.921 1.385 1.00 0.00 C ATOM 537 CD2 PHE A 52 -1.561 5.275 2.737 1.00 0.00 C ATOM 538 CE1 PHE A 52 -0.331 4.770 0.330 1.00 0.00 C ATOM 539 CE2 PHE A 52 -1.755 6.130 1.683 1.00 0.00 C ATOM 540 CZ PHE A 52 -1.134 5.876 0.477 1.00 0.00 C ATOM 0 H PHE A 52 -0.374 1.377 5.260 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.505 3.030 4.594 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.232 3.809 4.605 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.282 2.561 3.486 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.488 3.053 1.268 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.042 5.472 3.683 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.151 4.572 -0.616 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.390 6.997 1.796 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.280 6.549 -0.355 1.00 0.00 H new ATOM 550 N LEU A 53 -1.695 1.136 2.008 1.00 0.00 N ATOM 551 CA LEU A 53 -2.233 0.694 0.726 1.00 0.00 C ATOM 552 C LEU A 53 -3.339 -0.344 0.905 1.00 0.00 C ATOM 553 O LEU A 53 -4.204 -0.487 0.039 1.00 0.00 O ATOM 554 CB LEU A 53 -1.125 0.194 -0.220 1.00 0.00 C ATOM 555 CG LEU A 53 0.088 -0.475 0.437 1.00 0.00 C ATOM 556 CD1 LEU A 53 -0.283 -1.814 1.047 1.00 0.00 C ATOM 557 CD2 LEU A 53 1.210 -0.648 -0.575 1.00 0.00 C ATOM 0 H LEU A 53 -0.734 0.850 2.193 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.685 1.565 0.252 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.568 -0.515 -0.919 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.770 1.041 -0.807 1.00 0.00 H new ATOM 0 HG LEU A 53 0.434 0.175 1.241 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.599 -2.262 1.505 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.051 -1.668 1.806 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.664 -2.475 0.269 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.064 -1.124 -0.093 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.864 -1.272 -1.399 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.507 0.328 -0.959 1.00 0.00 H new ATOM 569 N LYS A 54 -3.332 -1.042 2.037 1.00 0.00 N ATOM 570 CA LYS A 54 -4.419 -1.960 2.363 1.00 0.00 C ATOM 571 C LYS A 54 -5.730 -1.207 2.515 1.00 0.00 C ATOM 572 O LYS A 54 -6.749 -1.586 1.938 1.00 0.00 O ATOM 573 CB LYS A 54 -4.116 -2.716 3.648 1.00 0.00 C ATOM 574 CG LYS A 54 -3.012 -3.729 3.485 1.00 0.00 C ATOM 575 CD LYS A 54 -2.702 -4.430 4.786 1.00 0.00 C ATOM 576 CE LYS A 54 -1.637 -5.492 4.598 1.00 0.00 C ATOM 577 NZ LYS A 54 -1.417 -6.261 5.844 1.00 0.00 N ATOM 0 H LYS A 54 -2.593 -0.991 2.738 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.511 -2.673 1.544 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.838 -2.004 4.425 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.020 -3.222 3.988 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.301 -4.465 2.735 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.114 -3.233 3.116 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.366 -3.701 5.523 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.609 -4.887 5.181 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.934 -6.170 3.798 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.703 -5.023 4.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.772 -7.054 5.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.999 -5.640 6.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.326 -6.630 6.189 1.00 0.00 H new ATOM 591 N LYS A 55 -5.681 -0.131 3.289 1.00 0.00 N ATOM 592 CA LYS A 55 -6.846 0.706 3.534 1.00 0.00 C ATOM 593 C LYS A 55 -7.262 1.435 2.263 1.00 0.00 C ATOM 594 O LYS A 55 -8.402 1.878 2.132 1.00 0.00 O ATOM 595 CB LYS A 55 -6.551 1.699 4.661 1.00 0.00 C ATOM 596 CG LYS A 55 -6.274 1.019 5.992 1.00 0.00 C ATOM 597 CD LYS A 55 -7.504 0.290 6.505 1.00 0.00 C ATOM 598 CE LYS A 55 -7.202 -0.499 7.771 1.00 0.00 C ATOM 599 NZ LYS A 55 -8.392 -1.244 8.264 1.00 0.00 N ATOM 0 H LYS A 55 -4.835 0.185 3.763 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.676 0.070 3.841 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.691 2.309 4.385 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.399 2.375 4.774 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.451 0.313 5.878 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.957 1.762 6.724 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.297 1.010 6.705 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.875 -0.386 5.734 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.391 -1.201 7.575 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.854 0.182 8.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.141 -1.767 9.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.158 -0.573 8.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.710 -1.913 7.534 1.00 0.00 H new ATOM 613 N LYS A 56 -6.318 1.582 1.340 1.00 0.00 N ATOM 614 CA LYS A 56 -6.610 2.183 0.051 1.00 0.00 C ATOM 615 C LYS A 56 -7.485 1.247 -0.774 1.00 0.00 C ATOM 616 O LYS A 56 -8.470 1.676 -1.378 1.00 0.00 O ATOM 617 CB LYS A 56 -5.324 2.499 -0.715 1.00 0.00 C ATOM 618 CG LYS A 56 -4.343 3.411 0.016 1.00 0.00 C ATOM 619 CD LYS A 56 -4.939 4.772 0.347 1.00 0.00 C ATOM 620 CE LYS A 56 -5.546 4.803 1.741 1.00 0.00 C ATOM 621 NZ LYS A 56 -6.056 6.151 2.095 1.00 0.00 N ATOM 0 H LYS A 56 -5.348 1.293 1.463 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.142 3.118 0.227 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.819 1.562 -0.949 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.590 2.964 -1.664 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -4.021 2.926 0.938 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -3.454 3.549 -0.599 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.164 5.535 0.272 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.705 5.021 -0.388 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.360 4.081 1.798 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.796 4.496 2.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.461 6.128 3.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.274 6.837 2.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.790 6.434 1.415 1.00 0.00 H new ATOM 635 N GLY A 57 -7.127 -0.033 -0.795 1.00 0.00 N ATOM 636 CA GLY A 57 -7.943 -1.007 -1.492 1.00 0.00 C ATOM 637 C GLY A 57 -7.156 -2.186 -2.036 1.00 0.00 C ATOM 638 O GLY A 57 -7.105 -2.393 -3.251 1.00 0.00 O ATOM 0 H GLY A 57 -6.293 -0.410 -0.345 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.711 -1.377 -0.813 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.457 -0.513 -2.317 1.00 0.00 H new ATOM 642 N LEU A 58 -6.542 -2.954 -1.141 1.00 0.00 N ATOM 643 CA LEU A 58 -5.873 -4.200 -1.513 1.00 0.00 C ATOM 644 C LEU A 58 -5.432 -4.970 -0.269 1.00 0.00 C ATOM 645 O LEU A 58 -5.129 -4.380 0.764 1.00 0.00 O ATOM 646 CB LEU A 58 -4.693 -3.945 -2.472 1.00 0.00 C ATOM 647 CG LEU A 58 -3.718 -2.833 -2.082 1.00 0.00 C ATOM 648 CD1 LEU A 58 -2.766 -3.294 -0.998 1.00 0.00 C ATOM 649 CD2 LEU A 58 -2.939 -2.360 -3.299 1.00 0.00 C ATOM 0 H LEU A 58 -6.493 -2.735 -0.146 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.591 -4.819 -2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.129 -4.872 -2.571 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.099 -3.712 -3.456 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.300 -2.000 -1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.085 -2.482 -0.742 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.334 -3.584 -0.114 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.192 -4.149 -1.357 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.250 -1.569 -3.005 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.376 -3.194 -3.718 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.632 -1.977 -4.048 1.00 0.00 H new ATOM 661 N THR A 59 -5.426 -6.294 -0.368 1.00 0.00 N ATOM 662 CA THR A 59 -5.072 -7.151 0.756 1.00 0.00 C ATOM 663 C THR A 59 -3.581 -7.499 0.701 1.00 0.00 C ATOM 664 O THR A 59 -2.904 -7.110 -0.247 1.00 0.00 O ATOM 665 CB THR A 59 -5.928 -8.434 0.737 1.00 0.00 C ATOM 666 OG1 THR A 59 -7.243 -8.116 0.256 1.00 0.00 O ATOM 667 CG2 THR A 59 -6.040 -9.041 2.130 1.00 0.00 C ATOM 0 H THR A 59 -5.664 -6.800 -1.221 1.00 0.00 H new ATOM 0 HA THR A 59 -5.271 -6.617 1.685 1.00 0.00 H new ATOM 0 HB THR A 59 -5.447 -9.160 0.081 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.791 -8.928 0.240 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.649 -9.944 2.086 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.045 -9.292 2.499 1.00 0.00 H new ATOM 0 HG23 THR A 59 -6.506 -8.322 2.804 1.00 0.00 H new ATOM 675 N ASP A 60 -3.081 -8.235 1.703 1.00 0.00 N ATOM 676 CA ASP A 60 -1.643 -8.532 1.827 1.00 0.00 C ATOM 677 C ASP A 60 -1.046 -9.065 0.530 1.00 0.00 C ATOM 678 O ASP A 60 0.010 -8.613 0.106 1.00 0.00 O ATOM 679 CB ASP A 60 -1.379 -9.536 2.956 1.00 0.00 C ATOM 680 CG ASP A 60 -1.564 -8.939 4.336 1.00 0.00 C ATOM 681 OD1 ASP A 60 -2.726 -8.762 4.757 1.00 0.00 O ATOM 682 OD2 ASP A 60 -0.548 -8.629 5.006 1.00 0.00 O ATOM 0 H ASP A 60 -3.653 -8.639 2.445 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.157 -7.585 2.062 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.050 -10.387 2.842 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.362 -9.917 2.865 1.00 0.00 H new ATOM 687 N GLU A 61 -1.731 -10.010 -0.102 1.00 0.00 N ATOM 688 CA GLU A 61 -1.271 -10.573 -1.372 1.00 0.00 C ATOM 689 C GLU A 61 -0.970 -9.470 -2.396 1.00 0.00 C ATOM 690 O GLU A 61 0.034 -9.521 -3.114 1.00 0.00 O ATOM 691 CB GLU A 61 -2.312 -11.559 -1.915 1.00 0.00 C ATOM 692 CG GLU A 61 -3.727 -11.003 -1.962 1.00 0.00 C ATOM 693 CD GLU A 61 -4.764 -12.065 -2.265 1.00 0.00 C ATOM 694 OE1 GLU A 61 -5.429 -12.538 -1.321 1.00 0.00 O ATOM 695 OE2 GLU A 61 -4.917 -12.443 -3.445 1.00 0.00 O ATOM 0 H GLU A 61 -2.607 -10.405 0.241 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.340 -11.111 -1.193 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.019 -11.864 -2.920 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.306 -12.456 -1.295 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.961 -10.535 -1.006 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -3.781 -10.222 -2.720 1.00 0.00 H new ATOM 702 N GLU A 62 -1.814 -8.453 -2.430 1.00 0.00 N ATOM 703 CA GLU A 62 -1.626 -7.336 -3.338 1.00 0.00 C ATOM 704 C GLU A 62 -0.547 -6.386 -2.833 1.00 0.00 C ATOM 705 O GLU A 62 0.098 -5.699 -3.628 1.00 0.00 O ATOM 706 CB GLU A 62 -2.932 -6.574 -3.539 1.00 0.00 C ATOM 707 CG GLU A 62 -3.721 -7.003 -4.766 1.00 0.00 C ATOM 708 CD GLU A 62 -4.098 -8.467 -4.758 1.00 0.00 C ATOM 709 OE1 GLU A 62 -3.518 -9.235 -5.551 1.00 0.00 O ATOM 710 OE2 GLU A 62 -4.955 -8.858 -3.931 1.00 0.00 O ATOM 0 H GLU A 62 -2.640 -8.378 -1.836 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.304 -7.746 -4.295 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.556 -6.706 -2.655 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.710 -5.510 -3.617 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.628 -6.403 -4.833 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.132 -6.792 -5.659 1.00 0.00 H new ATOM 717 N ILE A 63 -0.341 -6.338 -1.517 1.00 0.00 N ATOM 718 CA ILE A 63 0.672 -5.451 -0.965 1.00 0.00 C ATOM 719 C ILE A 63 2.063 -5.949 -1.334 1.00 0.00 C ATOM 720 O ILE A 63 2.932 -5.150 -1.678 1.00 0.00 O ATOM 721 CB ILE A 63 0.572 -5.244 0.575 1.00 0.00 C ATOM 722 CG1 ILE A 63 1.309 -6.332 1.361 1.00 0.00 C ATOM 723 CG2 ILE A 63 -0.879 -5.189 1.010 1.00 0.00 C ATOM 724 CD1 ILE A 63 1.282 -6.115 2.854 1.00 0.00 C ATOM 0 H ILE A 63 -0.852 -6.892 -0.829 1.00 0.00 H new ATOM 0 HA ILE A 63 0.486 -4.474 -1.412 1.00 0.00 H new ATOM 0 HB ILE A 63 1.057 -4.293 0.797 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.862 -7.300 1.134 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.345 -6.373 1.026 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.930 -5.044 2.089 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.378 -4.360 0.508 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.374 -6.124 0.746 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.822 -6.922 3.349 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.755 -5.162 3.092 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.249 -6.104 3.201 1.00 0.00 H new ATOM 736 N ASP A 64 2.275 -7.271 -1.302 1.00 0.00 N ATOM 737 CA ASP A 64 3.562 -7.809 -1.724 1.00 0.00 C ATOM 738 C ASP A 64 3.685 -7.650 -3.221 1.00 0.00 C ATOM 739 O ASP A 64 4.778 -7.594 -3.739 1.00 0.00 O ATOM 740 CB ASP A 64 3.785 -9.294 -1.399 1.00 0.00 C ATOM 741 CG ASP A 64 3.042 -9.813 -0.183 1.00 0.00 C ATOM 742 OD1 ASP A 64 1.980 -10.449 -0.351 1.00 0.00 O ATOM 743 OD2 ASP A 64 3.493 -9.537 0.944 1.00 0.00 O ATOM 0 H ASP A 64 1.592 -7.964 -0.997 1.00 0.00 H new ATOM 0 HA ASP A 64 4.311 -7.248 -1.165 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.489 -9.886 -2.265 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.852 -9.459 -1.250 1.00 0.00 H new ATOM 748 N MET A 65 2.554 -7.617 -3.920 1.00 0.00 N ATOM 749 CA MET A 65 2.566 -7.364 -5.359 1.00 0.00 C ATOM 750 C MET A 65 3.074 -5.957 -5.669 1.00 0.00 C ATOM 751 O MET A 65 3.970 -5.783 -6.495 1.00 0.00 O ATOM 752 CB MET A 65 1.177 -7.570 -5.967 1.00 0.00 C ATOM 753 CG MET A 65 0.760 -9.029 -6.103 1.00 0.00 C ATOM 754 SD MET A 65 1.796 -9.962 -7.255 1.00 0.00 S ATOM 755 CE MET A 65 3.226 -10.346 -6.237 1.00 0.00 C ATOM 0 H MET A 65 1.627 -7.760 -3.520 1.00 0.00 H new ATOM 0 HA MET A 65 3.250 -8.083 -5.810 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.443 -7.051 -5.350 1.00 0.00 H new ATOM 0 HB3 MET A 65 1.152 -7.104 -6.952 1.00 0.00 H new ATOM 0 HG2 MET A 65 0.799 -9.504 -5.123 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.276 -9.074 -6.438 1.00 0.00 H new ATOM 0 HE1 MET A 65 4.056 -9.697 -6.516 1.00 0.00 H new ATOM 0 HE2 MET A 65 2.978 -10.188 -5.187 1.00 0.00 H new ATOM 0 HE3 MET A 65 3.512 -11.387 -6.390 1.00 0.00 H new ATOM 765 N ALA A 66 2.516 -4.961 -4.995 1.00 0.00 N ATOM 766 CA ALA A 66 2.927 -3.577 -5.196 1.00 0.00 C ATOM 767 C ALA A 66 4.349 -3.367 -4.689 1.00 0.00 C ATOM 768 O ALA A 66 5.158 -2.685 -5.322 1.00 0.00 O ATOM 769 CB ALA A 66 1.965 -2.631 -4.490 1.00 0.00 C ATOM 0 H ALA A 66 1.777 -5.085 -4.303 1.00 0.00 H new ATOM 0 HA ALA A 66 2.905 -3.359 -6.264 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.285 -1.601 -4.649 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.961 -2.765 -4.893 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.959 -2.848 -3.422 1.00 0.00 H new ATOM 775 N PHE A 67 4.652 -3.971 -3.545 1.00 0.00 N ATOM 776 CA PHE A 67 5.983 -3.889 -2.964 1.00 0.00 C ATOM 777 C PHE A 67 6.996 -4.673 -3.793 1.00 0.00 C ATOM 778 O PHE A 67 8.175 -4.334 -3.828 1.00 0.00 O ATOM 779 CB PHE A 67 5.968 -4.356 -1.499 1.00 0.00 C ATOM 780 CG PHE A 67 5.491 -3.286 -0.549 1.00 0.00 C ATOM 781 CD1 PHE A 67 5.813 -1.941 -0.725 1.00 0.00 C ATOM 782 CD2 PHE A 67 4.701 -3.638 0.529 1.00 0.00 C ATOM 783 CE1 PHE A 67 5.344 -0.989 0.161 1.00 0.00 C ATOM 784 CE2 PHE A 67 4.239 -2.695 1.413 1.00 0.00 C ATOM 785 CZ PHE A 67 4.668 -1.263 1.166 1.00 0.00 C ATOM 0 H PHE A 67 3.990 -4.524 -3.002 1.00 0.00 H new ATOM 0 HA PHE A 67 6.295 -2.845 -2.976 1.00 0.00 H new ATOM 0 HB2 PHE A 67 5.323 -5.230 -1.408 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.972 -4.669 -1.212 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.432 -1.641 -1.558 1.00 0.00 H new ATOM 0 HD2 PHE A 67 4.442 -4.676 0.679 1.00 0.00 H new ATOM 0 HE1 PHE A 67 5.578 0.048 -0.031 1.00 0.00 H new ATOM 0 HE2 PHE A 67 3.601 -2.961 2.243 1.00 0.00 H new ATOM 0 HZ PHE A 67 4.387 -0.485 1.860 1.00 0.00 H new ATOM 795 N GLN A 68 6.530 -5.710 -4.471 1.00 0.00 N ATOM 796 CA GLN A 68 7.380 -6.488 -5.363 1.00 0.00 C ATOM 797 C GLN A 68 7.823 -5.629 -6.546 1.00 0.00 C ATOM 798 O GLN A 68 9.011 -5.546 -6.861 1.00 0.00 O ATOM 799 CB GLN A 68 6.645 -7.736 -5.874 1.00 0.00 C ATOM 800 CG GLN A 68 7.391 -8.498 -6.957 1.00 0.00 C ATOM 801 CD GLN A 68 8.765 -8.963 -6.519 1.00 0.00 C ATOM 802 OE1 GLN A 68 9.006 -9.247 -5.346 1.00 0.00 O ATOM 803 NE2 GLN A 68 9.680 -9.031 -7.465 1.00 0.00 N ATOM 0 H GLN A 68 5.564 -6.035 -4.421 1.00 0.00 H new ATOM 0 HA GLN A 68 8.257 -6.810 -4.801 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.463 -8.406 -5.034 1.00 0.00 H new ATOM 0 HB3 GLN A 68 5.671 -7.437 -6.261 1.00 0.00 H new ATOM 0 HG2 GLN A 68 6.800 -9.363 -7.257 1.00 0.00 H new ATOM 0 HG3 GLN A 68 7.493 -7.862 -7.836 1.00 0.00 H new ATOM 0 HE21 GLN A 68 9.439 -8.787 -8.426 1.00 0.00 H new ATOM 0 HE22 GLN A 68 10.629 -9.328 -7.236 1.00 0.00 H new ATOM 812 N GLN A 69 6.855 -4.978 -7.181 1.00 0.00 N ATOM 813 CA GLN A 69 7.125 -4.131 -8.341 1.00 0.00 C ATOM 814 C GLN A 69 8.028 -2.967 -7.964 1.00 0.00 C ATOM 815 O GLN A 69 8.898 -2.568 -8.737 1.00 0.00 O ATOM 816 CB GLN A 69 5.823 -3.597 -8.931 1.00 0.00 C ATOM 817 CG GLN A 69 4.918 -4.673 -9.496 1.00 0.00 C ATOM 818 CD GLN A 69 3.651 -4.100 -10.096 1.00 0.00 C ATOM 819 OE1 GLN A 69 3.636 -2.966 -10.577 1.00 0.00 O ATOM 820 NE2 GLN A 69 2.582 -4.874 -10.070 1.00 0.00 N ATOM 0 H GLN A 69 5.872 -5.020 -6.912 1.00 0.00 H new ATOM 0 HA GLN A 69 7.632 -4.742 -9.088 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.283 -3.050 -8.158 1.00 0.00 H new ATOM 0 HB3 GLN A 69 6.059 -2.883 -9.720 1.00 0.00 H new ATOM 0 HG2 GLN A 69 5.457 -5.235 -10.259 1.00 0.00 H new ATOM 0 HG3 GLN A 69 4.657 -5.377 -8.706 1.00 0.00 H new ATOM 0 HE21 GLN A 69 2.638 -5.807 -9.662 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.700 -4.539 -10.458 1.00 0.00 H new ATOM 829 N SER A 70 7.830 -2.434 -6.767 1.00 0.00 N ATOM 830 CA SER A 70 8.628 -1.309 -6.301 1.00 0.00 C ATOM 831 C SER A 70 9.956 -1.773 -5.696 1.00 0.00 C ATOM 832 O SER A 70 10.760 -0.957 -5.238 1.00 0.00 O ATOM 833 CB SER A 70 7.835 -0.490 -5.283 1.00 0.00 C ATOM 834 OG SER A 70 7.333 -1.317 -4.248 1.00 0.00 O ATOM 0 H SER A 70 7.127 -2.760 -6.104 1.00 0.00 H new ATOM 0 HA SER A 70 8.860 -0.682 -7.162 1.00 0.00 H new ATOM 0 HB2 SER A 70 8.473 0.285 -4.858 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.009 0.016 -5.782 1.00 0.00 H new ATOM 0 HG SER A 70 7.976 -1.343 -3.509 1.00 0.00 H new ATOM 840 N GLY A 71 10.167 -3.090 -5.696 1.00 0.00 N ATOM 841 CA GLY A 71 11.407 -3.665 -5.200 1.00 0.00 C ATOM 842 C GLY A 71 11.619 -3.413 -3.721 1.00 0.00 C ATOM 843 O GLY A 71 12.744 -3.185 -3.281 1.00 0.00 O ATOM 0 H GLY A 71 9.491 -3.775 -6.035 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.404 -4.739 -5.384 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.245 -3.248 -5.759 1.00 0.00 H new ATOM 847 N THR A 72 10.542 -3.453 -2.952 1.00 0.00 N ATOM 848 CA THR A 72 10.614 -3.143 -1.535 1.00 0.00 C ATOM 849 C THR A 72 10.050 -4.270 -0.679 1.00 0.00 C ATOM 850 O THR A 72 9.700 -4.070 0.487 1.00 0.00 O ATOM 851 CB THR A 72 9.873 -1.836 -1.226 1.00 0.00 C ATOM 852 OG1 THR A 72 8.544 -1.891 -1.752 1.00 0.00 O ATOM 853 CG2 THR A 72 10.604 -0.658 -1.832 1.00 0.00 C ATOM 0 H THR A 72 9.610 -3.697 -3.286 1.00 0.00 H new ATOM 0 HA THR A 72 11.669 -3.025 -1.287 1.00 0.00 H new ATOM 0 HB THR A 72 9.832 -1.711 -0.144 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.916 -2.113 -1.033 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.065 0.261 -1.603 1.00 0.00 H new ATOM 0 HG22 THR A 72 11.610 -0.601 -1.417 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.664 -0.784 -2.913 1.00 0.00 H new ATOM 861 N ALA A 73 9.966 -5.455 -1.263 1.00 0.00 N ATOM 862 CA ALA A 73 9.564 -6.640 -0.524 1.00 0.00 C ATOM 863 C ALA A 73 10.734 -7.130 0.321 1.00 0.00 C ATOM 864 O ALA A 73 11.346 -8.155 0.027 1.00 0.00 O ATOM 865 CB ALA A 73 9.091 -7.724 -1.483 1.00 0.00 C ATOM 0 H ALA A 73 10.171 -5.621 -2.248 1.00 0.00 H new ATOM 0 HA ALA A 73 8.733 -6.393 0.137 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.793 -8.606 -0.916 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.240 -7.356 -2.057 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.901 -7.987 -2.163 1.00 0.00 H new ATOM 871 N ALA A 74 11.034 -6.365 1.368 1.00 0.00 N ATOM 872 CA ALA A 74 12.201 -6.590 2.213 1.00 0.00 C ATOM 873 C ALA A 74 12.273 -8.012 2.759 1.00 0.00 C ATOM 874 O ALA A 74 13.115 -8.802 2.334 1.00 0.00 O ATOM 875 CB ALA A 74 12.213 -5.589 3.356 1.00 0.00 C ATOM 0 H ALA A 74 10.469 -5.566 1.655 1.00 0.00 H new ATOM 0 HA ALA A 74 13.081 -6.449 1.586 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.087 -5.763 3.983 1.00 0.00 H new ATOM 0 HB2 ALA A 74 12.251 -4.577 2.953 1.00 0.00 H new ATOM 0 HB3 ALA A 74 11.309 -5.708 3.953 1.00 0.00 H new ATOM 881 N ASP A 75 11.405 -8.338 3.700 1.00 0.00 N ATOM 882 CA ASP A 75 11.447 -9.645 4.342 1.00 0.00 C ATOM 883 C ASP A 75 10.066 -10.289 4.329 1.00 0.00 C ATOM 884 O ASP A 75 9.812 -11.215 3.559 1.00 0.00 O ATOM 885 CB ASP A 75 11.975 -9.499 5.771 1.00 0.00 C ATOM 886 CG ASP A 75 12.159 -10.824 6.477 1.00 0.00 C ATOM 887 OD1 ASP A 75 13.276 -11.381 6.430 1.00 0.00 O ATOM 888 OD2 ASP A 75 11.198 -11.304 7.103 1.00 0.00 O ATOM 0 H ASP A 75 10.665 -7.722 4.037 1.00 0.00 H new ATOM 0 HA ASP A 75 12.122 -10.297 3.788 1.00 0.00 H new ATOM 0 HB2 ASP A 75 12.929 -8.972 5.747 1.00 0.00 H new ATOM 0 HB3 ASP A 75 11.284 -8.882 6.345 1.00 0.00 H new ATOM 893 N GLU A 76 9.172 -9.783 5.166 1.00 0.00 N ATOM 894 CA GLU A 76 7.794 -10.222 5.178 1.00 0.00 C ATOM 895 C GLU A 76 6.884 -9.016 5.030 1.00 0.00 C ATOM 896 O GLU A 76 6.469 -8.421 6.025 1.00 0.00 O ATOM 897 CB GLU A 76 7.439 -10.974 6.469 1.00 0.00 C ATOM 898 CG GLU A 76 8.004 -12.381 6.546 1.00 0.00 C ATOM 899 CD GLU A 76 7.470 -13.156 7.735 1.00 0.00 C ATOM 900 OE1 GLU A 76 8.017 -13.003 8.848 1.00 0.00 O ATOM 901 OE2 GLU A 76 6.504 -13.933 7.565 1.00 0.00 O ATOM 0 H GLU A 76 9.386 -9.059 5.852 1.00 0.00 H new ATOM 0 HA GLU A 76 7.656 -10.911 4.345 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.804 -10.401 7.322 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.354 -11.025 6.560 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.762 -12.917 5.628 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.091 -12.330 6.608 1.00 0.00 H new TER 908 GLU A 76 ATOM 909 N SER B 101 1.524 19.589 5.160 1.00 0.00 N ATOM 910 CA SER B 101 2.053 19.522 3.784 1.00 0.00 C ATOM 911 C SER B 101 2.576 18.120 3.470 1.00 0.00 C ATOM 912 O SER B 101 2.633 17.715 2.310 1.00 0.00 O ATOM 913 CB SER B 101 3.157 20.564 3.612 1.00 0.00 C ATOM 914 OG SER B 101 2.681 21.854 3.966 1.00 0.00 O ATOM 0 HA SER B 101 1.247 19.738 3.083 1.00 0.00 H new ATOM 0 HB2 SER B 101 4.013 20.302 4.234 1.00 0.00 H new ATOM 0 HB3 SER B 101 3.504 20.568 2.579 1.00 0.00 H new ATOM 0 HG SER B 101 2.029 21.774 4.693 1.00 0.00 H new ATOM 922 N GLN B 102 2.948 17.371 4.504 1.00 0.00 N ATOM 923 CA GLN B 102 3.425 16.007 4.317 1.00 0.00 C ATOM 924 C GLN B 102 2.261 15.020 4.272 1.00 0.00 C ATOM 925 O GLN B 102 2.318 14.010 3.574 1.00 0.00 O ATOM 926 CB GLN B 102 4.409 15.624 5.427 1.00 0.00 C ATOM 927 CG GLN B 102 4.791 14.152 5.423 1.00 0.00 C ATOM 928 CD GLN B 102 5.948 13.840 6.347 1.00 0.00 C ATOM 929 OE1 GLN B 102 6.849 14.656 6.532 1.00 0.00 O ATOM 930 NE2 GLN B 102 5.919 12.664 6.952 1.00 0.00 N ATOM 0 H GLN B 102 2.928 17.684 5.474 1.00 0.00 H new ATOM 0 HA GLN B 102 3.945 15.961 3.360 1.00 0.00 H new ATOM 0 HB2 GLN B 102 5.312 16.225 5.323 1.00 0.00 H new ATOM 0 HB3 GLN B 102 3.969 15.874 6.393 1.00 0.00 H new ATOM 0 HG2 GLN B 102 3.927 13.557 5.718 1.00 0.00 H new ATOM 0 HG3 GLN B 102 5.053 13.853 4.408 1.00 0.00 H new ATOM 0 HE21 GLN B 102 5.153 12.016 6.770 1.00 0.00 H new ATOM 0 HE22 GLN B 102 6.663 12.405 7.600 1.00 0.00 H new ATOM 939 N GLU B 103 1.196 15.324 5.002 1.00 0.00 N ATOM 940 CA GLU B 103 0.042 14.434 5.076 1.00 0.00 C ATOM 941 C GLU B 103 -0.646 14.303 3.721 1.00 0.00 C ATOM 942 O GLU B 103 -1.149 13.234 3.371 1.00 0.00 O ATOM 943 CB GLU B 103 -0.943 14.934 6.127 1.00 0.00 C ATOM 944 CG GLU B 103 -0.375 14.906 7.534 1.00 0.00 C ATOM 945 CD GLU B 103 -1.280 15.575 8.539 1.00 0.00 C ATOM 946 OE1 GLU B 103 -1.212 16.814 8.666 1.00 0.00 O ATOM 947 OE2 GLU B 103 -2.057 14.865 9.213 1.00 0.00 O ATOM 0 H GLU B 103 1.106 16.179 5.551 1.00 0.00 H new ATOM 0 HA GLU B 103 0.397 13.445 5.366 1.00 0.00 H new ATOM 0 HB2 GLU B 103 -1.241 15.953 5.882 1.00 0.00 H new ATOM 0 HB3 GLU B 103 -1.844 14.322 6.093 1.00 0.00 H new ATOM 0 HG2 GLU B 103 -0.208 13.871 7.834 1.00 0.00 H new ATOM 0 HG3 GLU B 103 0.596 15.401 7.540 1.00 0.00 H new ATOM 954 N LYS B 104 -0.646 15.383 2.946 1.00 0.00 N ATOM 955 CA LYS B 104 -1.268 15.368 1.626 1.00 0.00 C ATOM 956 C LYS B 104 -0.479 14.484 0.662 1.00 0.00 C ATOM 957 O LYS B 104 -1.005 14.045 -0.355 1.00 0.00 O ATOM 958 CB LYS B 104 -1.407 16.788 1.059 1.00 0.00 C ATOM 959 CG LYS B 104 -0.085 17.487 0.799 1.00 0.00 C ATOM 960 CD LYS B 104 -0.270 18.875 0.189 1.00 0.00 C ATOM 961 CE LYS B 104 -0.741 18.823 -1.262 1.00 0.00 C ATOM 962 NZ LYS B 104 -2.208 18.593 -1.385 1.00 0.00 N ATOM 0 H LYS B 104 -0.225 16.275 3.207 1.00 0.00 H new ATOM 0 HA LYS B 104 -2.268 14.950 1.738 1.00 0.00 H new ATOM 0 HB2 LYS B 104 -1.970 16.741 0.127 1.00 0.00 H new ATOM 0 HB3 LYS B 104 -1.992 17.389 1.755 1.00 0.00 H new ATOM 0 HG2 LYS B 104 0.466 17.575 1.735 1.00 0.00 H new ATOM 0 HG3 LYS B 104 0.520 16.876 0.129 1.00 0.00 H new ATOM 0 HD2 LYS B 104 -0.994 19.434 0.782 1.00 0.00 H new ATOM 0 HD3 LYS B 104 0.673 19.419 0.241 1.00 0.00 H new ATOM 0 HE2 LYS B 104 -0.482 19.759 -1.757 1.00 0.00 H new ATOM 0 HE3 LYS B 104 -0.208 18.028 -1.784 1.00 0.00 H new ATOM 0 HZ1 LYS B 104 -2.577 19.131 -2.195 1.00 0.00 H new ATOM 0 HZ2 LYS B 104 -2.389 17.579 -1.531 1.00 0.00 H new ATOM 0 HZ3 LYS B 104 -2.683 18.908 -0.515 1.00 0.00 H new ATOM 976 N PHE B 105 0.773 14.204 1.000 1.00 0.00 N ATOM 977 CA PHE B 105 1.620 13.353 0.170 1.00 0.00 C ATOM 978 C PHE B 105 1.146 11.906 0.243 1.00 0.00 C ATOM 979 O PHE B 105 1.190 11.181 -0.744 1.00 0.00 O ATOM 980 CB PHE B 105 3.081 13.470 0.623 1.00 0.00 C ATOM 981 CG PHE B 105 4.054 12.687 -0.210 1.00 0.00 C ATOM 982 CD1 PHE B 105 4.460 13.156 -1.450 1.00 0.00 C ATOM 983 CD2 PHE B 105 4.575 11.490 0.253 1.00 0.00 C ATOM 984 CE1 PHE B 105 5.365 12.444 -2.213 1.00 0.00 C ATOM 985 CE2 PHE B 105 5.479 10.772 -0.506 1.00 0.00 C ATOM 986 CZ PHE B 105 5.875 11.248 -1.741 1.00 0.00 C ATOM 0 H PHE B 105 1.226 14.554 1.844 1.00 0.00 H new ATOM 0 HA PHE B 105 1.550 13.683 -0.867 1.00 0.00 H new ATOM 0 HB2 PHE B 105 3.371 14.521 0.606 1.00 0.00 H new ATOM 0 HB3 PHE B 105 3.156 13.135 1.658 1.00 0.00 H new ATOM 0 HD1 PHE B 105 4.064 14.089 -1.824 1.00 0.00 H new ATOM 0 HD2 PHE B 105 4.271 11.114 1.219 1.00 0.00 H new ATOM 0 HE1 PHE B 105 5.674 12.821 -3.177 1.00 0.00 H new ATOM 0 HE2 PHE B 105 5.876 9.839 -0.134 1.00 0.00 H new ATOM 0 HZ PHE B 105 6.581 10.688 -2.336 1.00 0.00 H new ATOM 996 N PHE B 106 0.664 11.501 1.409 1.00 0.00 N ATOM 997 CA PHE B 106 0.161 10.147 1.587 1.00 0.00 C ATOM 998 C PHE B 106 -1.250 9.993 1.017 1.00 0.00 C ATOM 999 O PHE B 106 -1.606 8.934 0.508 1.00 0.00 O ATOM 1000 CB PHE B 106 0.176 9.745 3.067 1.00 0.00 C ATOM 1001 CG PHE B 106 1.463 9.110 3.521 1.00 0.00 C ATOM 1002 CD1 PHE B 106 2.395 9.845 4.235 1.00 0.00 C ATOM 1003 CD2 PHE B 106 1.753 7.788 3.221 1.00 0.00 C ATOM 1004 CE1 PHE B 106 3.587 9.282 4.638 1.00 0.00 C ATOM 1005 CE2 PHE B 106 2.946 7.215 3.626 1.00 0.00 C ATOM 1006 CZ PHE B 106 3.815 7.905 4.388 1.00 0.00 C ATOM 0 H PHE B 106 0.611 12.087 2.242 1.00 0.00 H new ATOM 0 HA PHE B 106 0.826 9.482 1.036 1.00 0.00 H new ATOM 0 HB2 PHE B 106 -0.013 10.630 3.674 1.00 0.00 H new ATOM 0 HB3 PHE B 106 -0.644 9.051 3.252 1.00 0.00 H new ATOM 0 HD1 PHE B 106 2.184 10.876 4.480 1.00 0.00 H new ATOM 0 HD2 PHE B 106 1.040 7.198 2.665 1.00 0.00 H new ATOM 0 HE1 PHE B 106 4.335 9.880 5.136 1.00 0.00 H new ATOM 0 HE2 PHE B 106 3.182 6.204 3.328 1.00 0.00 H new ATOM 0 HZ PHE B 106 4.681 7.413 4.806 1.00 0.00 H new ATOM 1016 N GLN B 107 -2.055 11.045 1.092 1.00 0.00 N ATOM 1017 CA GLN B 107 -3.446 10.948 0.660 1.00 0.00 C ATOM 1018 C GLN B 107 -3.629 11.332 -0.811 1.00 0.00 C ATOM 1019 O GLN B 107 -4.224 10.583 -1.584 1.00 0.00 O ATOM 1020 CB GLN B 107 -4.361 11.802 1.552 1.00 0.00 C ATOM 1021 CG GLN B 107 -3.997 13.280 1.590 1.00 0.00 C ATOM 1022 CD GLN B 107 -4.999 14.113 2.365 1.00 0.00 C ATOM 1023 OE1 GLN B 107 -5.636 13.636 3.302 1.00 0.00 O ATOM 1024 NE2 GLN B 107 -5.147 15.368 1.974 1.00 0.00 N ATOM 0 H GLN B 107 -1.777 11.962 1.442 1.00 0.00 H new ATOM 0 HA GLN B 107 -3.732 9.901 0.761 1.00 0.00 H new ATOM 0 HB2 GLN B 107 -5.388 11.702 1.201 1.00 0.00 H new ATOM 0 HB3 GLN B 107 -4.331 11.406 2.567 1.00 0.00 H new ATOM 0 HG2 GLN B 107 -3.011 13.395 2.040 1.00 0.00 H new ATOM 0 HG3 GLN B 107 -3.928 13.659 0.570 1.00 0.00 H new ATOM 0 HE21 GLN B 107 -4.599 15.726 1.192 1.00 0.00 H new ATOM 0 HE22 GLN B 107 -5.809 15.977 2.455 1.00 0.00 H new ATOM 1033 N GLU B 108 -3.094 12.478 -1.205 1.00 0.00 N ATOM 1034 CA GLU B 108 -3.398 13.046 -2.512 1.00 0.00 C ATOM 1035 C GLU B 108 -2.611 12.358 -3.620 1.00 0.00 C ATOM 1036 O GLU B 108 -3.074 12.273 -4.755 1.00 0.00 O ATOM 1037 CB GLU B 108 -3.121 14.548 -2.498 1.00 0.00 C ATOM 1038 CG GLU B 108 -3.641 15.285 -3.716 1.00 0.00 C ATOM 1039 CD GLU B 108 -3.777 16.766 -3.457 1.00 0.00 C ATOM 1040 OE1 GLU B 108 -2.882 17.535 -3.859 1.00 0.00 O ATOM 1041 OE2 GLU B 108 -4.773 17.168 -2.822 1.00 0.00 O ATOM 0 H GLU B 108 -2.449 13.032 -0.641 1.00 0.00 H new ATOM 0 HA GLU B 108 -4.455 12.881 -2.720 1.00 0.00 H new ATOM 0 HB2 GLU B 108 -3.571 14.981 -1.605 1.00 0.00 H new ATOM 0 HB3 GLU B 108 -2.045 14.707 -2.422 1.00 0.00 H new ATOM 0 HG2 GLU B 108 -2.965 15.123 -4.555 1.00 0.00 H new ATOM 0 HG3 GLU B 108 -4.609 14.875 -4.003 1.00 0.00 H new ATOM 1048 N LEU B 109 -1.436 11.843 -3.287 1.00 0.00 N ATOM 1049 CA LEU B 109 -0.617 11.142 -4.269 1.00 0.00 C ATOM 1050 C LEU B 109 -1.268 9.814 -4.645 1.00 0.00 C ATOM 1051 O LEU B 109 -0.982 9.242 -5.694 1.00 0.00 O ATOM 1052 CB LEU B 109 0.797 10.906 -3.724 1.00 0.00 C ATOM 1053 CG LEU B 109 1.797 10.305 -4.717 1.00 0.00 C ATOM 1054 CD1 LEU B 109 1.991 11.231 -5.908 1.00 0.00 C ATOM 1055 CD2 LEU B 109 3.125 10.029 -4.029 1.00 0.00 C ATOM 0 H LEU B 109 -1.030 11.896 -2.353 1.00 0.00 H new ATOM 0 HA LEU B 109 -0.541 11.762 -5.162 1.00 0.00 H new ATOM 0 HB2 LEU B 109 1.193 11.857 -3.367 1.00 0.00 H new ATOM 0 HB3 LEU B 109 0.728 10.245 -2.860 1.00 0.00 H new ATOM 0 HG LEU B 109 1.396 9.360 -5.083 1.00 0.00 H new ATOM 0 HD11 LEU B 109 2.705 10.787 -6.602 1.00 0.00 H new ATOM 0 HD12 LEU B 109 1.037 11.378 -6.414 1.00 0.00 H new ATOM 0 HD13 LEU B 109 2.371 12.193 -5.563 1.00 0.00 H new ATOM 0 HD21 LEU B 109 3.825 9.602 -4.747 1.00 0.00 H new ATOM 0 HD22 LEU B 109 3.532 10.961 -3.636 1.00 0.00 H new ATOM 0 HD23 LEU B 109 2.971 9.326 -3.210 1.00 0.00 H new ATOM 1067 N PHE B 110 -2.171 9.343 -3.792 1.00 0.00 N ATOM 1068 CA PHE B 110 -2.848 8.080 -4.034 1.00 0.00 C ATOM 1069 C PHE B 110 -4.215 8.310 -4.678 1.00 0.00 C ATOM 1070 O PHE B 110 -4.915 7.361 -5.028 1.00 0.00 O ATOM 1071 CB PHE B 110 -3.005 7.291 -2.733 1.00 0.00 C ATOM 1072 CG PHE B 110 -2.908 5.807 -2.938 1.00 0.00 C ATOM 1073 CD1 PHE B 110 -4.020 5.062 -3.300 1.00 0.00 C ATOM 1074 CD2 PHE B 110 -1.697 5.156 -2.781 1.00 0.00 C ATOM 1075 CE1 PHE B 110 -3.922 3.700 -3.500 1.00 0.00 C ATOM 1076 CE2 PHE B 110 -1.596 3.794 -2.976 1.00 0.00 C ATOM 1077 CZ PHE B 110 -2.709 3.065 -3.337 1.00 0.00 C ATOM 0 H PHE B 110 -2.448 9.816 -2.932 1.00 0.00 H new ATOM 0 HA PHE B 110 -2.235 7.498 -4.722 1.00 0.00 H new ATOM 0 HB2 PHE B 110 -2.237 7.607 -2.027 1.00 0.00 H new ATOM 0 HB3 PHE B 110 -3.969 7.529 -2.283 1.00 0.00 H new ATOM 0 HD1 PHE B 110 -4.973 5.553 -3.427 1.00 0.00 H new ATOM 0 HD2 PHE B 110 -0.820 5.721 -2.502 1.00 0.00 H new ATOM 0 HE1 PHE B 110 -4.795 3.132 -3.784 1.00 0.00 H new ATOM 0 HE2 PHE B 110 -0.645 3.299 -2.846 1.00 0.00 H new ATOM 0 HZ PHE B 110 -2.631 1.999 -3.492 1.00 0.00 H new ATOM 1087 N ASP B 111 -4.601 9.574 -4.808 1.00 0.00 N ATOM 1088 CA ASP B 111 -5.865 9.927 -5.453 1.00 0.00 C ATOM 1089 C ASP B 111 -5.841 9.495 -6.913 1.00 0.00 C ATOM 1090 O ASP B 111 -6.734 8.789 -7.389 1.00 0.00 O ATOM 1091 CB ASP B 111 -6.108 11.437 -5.364 1.00 0.00 C ATOM 1092 CG ASP B 111 -7.381 11.867 -6.068 1.00 0.00 C ATOM 1093 OD1 ASP B 111 -7.340 12.107 -7.297 1.00 0.00 O ATOM 1094 OD2 ASP B 111 -8.425 11.988 -5.392 1.00 0.00 O ATOM 0 H ASP B 111 -4.059 10.372 -4.477 1.00 0.00 H new ATOM 0 HA ASP B 111 -6.674 9.410 -4.937 1.00 0.00 H new ATOM 0 HB2 ASP B 111 -6.160 11.731 -4.316 1.00 0.00 H new ATOM 0 HB3 ASP B 111 -5.260 11.964 -5.801 1.00 0.00 H new ATOM 1099 N SER B 112 -4.799 9.917 -7.605 1.00 0.00 N ATOM 1100 CA SER B 112 -4.611 9.584 -9.002 1.00 0.00 C ATOM 1101 C SER B 112 -3.149 9.234 -9.252 1.00 0.00 C ATOM 1102 O SER B 112 -2.831 8.031 -9.343 1.00 0.00 O ATOM 1103 CB SER B 112 -5.049 10.754 -9.888 1.00 0.00 C ATOM 1104 OG SER B 112 -6.415 11.079 -9.667 1.00 0.00 O ATOM 1105 OXT SER B 112 -2.312 10.158 -9.321 1.00 0.00 O ATOM 0 H SER B 112 -4.060 10.500 -7.213 1.00 0.00 H new ATOM 0 HA SER B 112 -5.226 8.720 -9.253 1.00 0.00 H new ATOM 0 HB2 SER B 112 -4.427 11.624 -9.680 1.00 0.00 H new ATOM 0 HB3 SER B 112 -4.898 10.497 -10.936 1.00 0.00 H new ATOM 0 HG SER B 112 -6.525 11.428 -8.758 1.00 0.00 H new TER 1111 SER B 112