USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 834 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 45 GLN : amide:sc= -1.85 K(o=-1.9,f=-5.3!) USER MOD Set 1.2: A 68 TYR OH : rot 180:sc=-0.00863 USER MOD Set 2.1: A 51 TYR OH : rot 0:sc= 0.464 USER MOD Set 2.2: A 63 THR OG1 : rot 68:sc= -0.2 USER MOD Single : A 1 GLY N :NH3+ 135:sc= 0.0256 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.248 K(o=-0.25,f=-1.8!) USER MOD Single : A 10 ASN : amide:sc= -0.0723 K(o=-0.072,f=-1.1) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 155:sc= -0.109 (180deg=-0.466) USER MOD Single : A 20 GLN : amide:sc=-0.000873 X(o=-0.00087,f=-0.036) USER MOD Single : A 21 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0793) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -146:sc= 0.914 (180deg=0.272) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -55:sc= -1.09 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.121 X(o=-0.12,f=0) USER MOD Single : A 48 GLN : amide:sc= -0.0502 X(o=-0.05,f=0) USER MOD Single : A 49 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.57) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot -121:sc= -2.1 USER MOD Single : A 56 SER OG : rot -46:sc= 0.395 USER MOD Single : A 59 HIS : no HD1:sc= -0.407 X(o=-0.41,f=-0.27) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -1.14 K(o=-1.1,f=-5!) USER MOD Single : A 70 HIS : no HE2:sc= -7.8! C(o=-7.8!,f=-8.1!) USER MOD Single : A 74 THR OG1 : rot -106:sc= 0.117 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 82 GLN : amide:sc= -0.275 K(o=-0.28,f=-1.7!) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -0.0109 K(o=-0.011,f=-1) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc=-0.00627 USER MOD Single : A 101 ASN : amide:sc= -1.01 K(o=-1,f=-6.4!) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= 0.376 X(o=0.38,f=0) USER MOD Single : A 105 ASN : amide:sc= -0.209 K(o=-0.21,f=0.66) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.356 -21.459 4.196 1.00 0.00 N ATOM 2 CA GLY A 1 0.801 -22.312 3.109 1.00 0.00 C ATOM 3 C GLY A 1 -0.407 -21.684 2.438 1.00 0.00 C ATOM 4 O GLY A 1 -1.143 -20.925 3.066 1.00 0.00 O ATOM 0 H1 GLY A 1 1.559 -22.047 5.029 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.234 -21.007 3.869 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.663 -20.726 4.450 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.574 -22.493 2.362 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.521 -23.282 3.520 1.00 0.00 H new ATOM 10 N PRO A 2 -0.635 -21.982 1.147 1.00 0.00 N ATOM 11 CA PRO A 2 -1.771 -21.434 0.398 1.00 0.00 C ATOM 12 C PRO A 2 -3.099 -21.648 1.119 1.00 0.00 C ATOM 13 O PRO A 2 -3.663 -22.740 1.088 1.00 0.00 O ATOM 14 CB PRO A 2 -1.743 -22.217 -0.916 1.00 0.00 C ATOM 15 CG PRO A 2 -0.325 -22.645 -1.073 1.00 0.00 C ATOM 16 CD PRO A 2 0.193 -22.880 0.319 1.00 0.00 C ATOM 0 HA PRO A 2 -1.690 -20.355 0.267 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -2.414 -23.075 -0.879 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -2.064 -21.597 -1.753 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -0.255 -23.552 -1.674 1.00 0.00 H new ATOM 0 HG3 PRO A 2 0.260 -21.879 -1.583 1.00 0.00 H new ATOM 0 HD2 PRO A 2 0.080 -23.922 0.619 1.00 0.00 H new ATOM 0 HD3 PRO A 2 1.253 -22.638 0.400 1.00 0.00 H new ATOM 24 N GLY A 3 -3.590 -20.597 1.766 1.00 0.00 N ATOM 25 CA GLY A 3 -4.847 -20.690 2.485 1.00 0.00 C ATOM 26 C GLY A 3 -5.148 -19.444 3.293 1.00 0.00 C ATOM 27 O GLY A 3 -5.134 -19.474 4.523 1.00 0.00 O ATOM 0 H GLY A 3 -3.140 -19.682 1.805 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -5.656 -20.863 1.775 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -4.818 -21.552 3.151 1.00 0.00 H new ATOM 31 N SER A 4 -5.421 -18.344 2.599 1.00 0.00 N ATOM 32 CA SER A 4 -5.726 -17.080 3.260 1.00 0.00 C ATOM 33 C SER A 4 -7.096 -17.134 3.930 1.00 0.00 C ATOM 34 O SER A 4 -8.024 -17.759 3.419 1.00 0.00 O ATOM 35 CB SER A 4 -5.682 -15.929 2.250 1.00 0.00 C ATOM 36 OG SER A 4 -4.607 -15.048 2.530 1.00 0.00 O ATOM 0 H SER A 4 -5.437 -18.302 1.580 1.00 0.00 H new ATOM 0 HA SER A 4 -4.973 -16.908 4.029 1.00 0.00 H new ATOM 0 HB2 SER A 4 -5.576 -16.329 1.242 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.623 -15.380 2.278 1.00 0.00 H new ATOM 0 HG SER A 4 -4.598 -14.323 1.871 1.00 0.00 H new ATOM 42 N LEU A 5 -7.214 -16.474 5.078 1.00 0.00 N ATOM 43 CA LEU A 5 -8.469 -16.448 5.820 1.00 0.00 C ATOM 44 C LEU A 5 -8.890 -17.856 6.227 1.00 0.00 C ATOM 45 O LEU A 5 -9.314 -18.655 5.391 1.00 0.00 O ATOM 46 CB LEU A 5 -9.568 -15.796 4.977 1.00 0.00 C ATOM 47 CG LEU A 5 -10.551 -14.924 5.759 1.00 0.00 C ATOM 48 CD1 LEU A 5 -11.422 -14.117 4.809 1.00 0.00 C ATOM 49 CD2 LEU A 5 -11.412 -15.783 6.673 1.00 0.00 C ATOM 0 H LEU A 5 -6.455 -15.950 5.514 1.00 0.00 H new ATOM 0 HA LEU A 5 -8.317 -15.860 6.725 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -9.099 -15.186 4.205 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -10.127 -16.580 4.467 1.00 0.00 H new ATOM 0 HG LEU A 5 -9.980 -14.229 6.375 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -12.115 -13.503 5.384 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -10.792 -13.474 4.194 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -11.985 -14.795 4.167 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -12.106 -15.147 7.222 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -11.973 -16.501 6.075 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -10.774 -16.317 7.377 1.00 0.00 H new ATOM 61 N SER A 6 -8.773 -18.152 7.517 1.00 0.00 N ATOM 62 CA SER A 6 -9.143 -19.464 8.036 1.00 0.00 C ATOM 63 C SER A 6 -10.627 -19.511 8.386 1.00 0.00 C ATOM 64 O SER A 6 -11.078 -18.844 9.316 1.00 0.00 O ATOM 65 CB SER A 6 -8.305 -19.802 9.271 1.00 0.00 C ATOM 66 OG SER A 6 -8.120 -21.202 9.394 1.00 0.00 O ATOM 0 H SER A 6 -8.425 -17.502 8.222 1.00 0.00 H new ATOM 0 HA SER A 6 -8.947 -20.203 7.259 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.336 -19.308 9.203 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.797 -19.417 10.164 1.00 0.00 H new ATOM 0 HG SER A 6 -7.580 -21.392 10.190 1.00 0.00 H new ATOM 72 N ASN A 7 -11.382 -20.306 7.635 1.00 0.00 N ATOM 73 CA ASN A 7 -12.815 -20.441 7.866 1.00 0.00 C ATOM 74 C ASN A 7 -13.519 -19.097 7.711 1.00 0.00 C ATOM 75 O ASN A 7 -12.874 -18.055 7.608 1.00 0.00 O ATOM 76 CB ASN A 7 -13.076 -21.012 9.262 1.00 0.00 C ATOM 77 CG ASN A 7 -13.425 -22.487 9.228 1.00 0.00 C ATOM 78 OD1 ASN A 7 -13.953 -22.989 8.236 1.00 0.00 O ATOM 79 ND2 ASN A 7 -13.129 -23.190 10.316 1.00 0.00 N ATOM 0 H ASN A 7 -11.025 -20.866 6.861 1.00 0.00 H new ATOM 0 HA ASN A 7 -13.216 -21.128 7.121 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -12.192 -20.865 9.883 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -13.890 -20.460 9.731 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -13.339 -24.187 10.352 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -12.691 -22.732 11.116 1.00 0.00 H new ATOM 86 N PHE A 8 -14.848 -19.130 7.692 1.00 0.00 N ATOM 87 CA PHE A 8 -15.641 -17.915 7.548 1.00 0.00 C ATOM 88 C PHE A 8 -16.278 -17.520 8.877 1.00 0.00 C ATOM 89 O PHE A 8 -16.494 -18.362 9.748 1.00 0.00 O ATOM 90 CB PHE A 8 -16.724 -18.110 6.488 1.00 0.00 C ATOM 91 CG PHE A 8 -16.286 -17.727 5.103 1.00 0.00 C ATOM 92 CD1 PHE A 8 -15.612 -18.634 4.301 1.00 0.00 C ATOM 93 CD2 PHE A 8 -16.549 -16.461 4.604 1.00 0.00 C ATOM 94 CE1 PHE A 8 -15.207 -18.285 3.027 1.00 0.00 C ATOM 95 CE2 PHE A 8 -16.145 -16.107 3.331 1.00 0.00 C ATOM 96 CZ PHE A 8 -15.474 -17.020 2.541 1.00 0.00 C ATOM 0 H PHE A 8 -15.398 -19.985 7.775 1.00 0.00 H new ATOM 0 HA PHE A 8 -14.975 -17.112 7.232 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -17.035 -19.155 6.486 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -17.598 -17.518 6.760 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -15.401 -19.625 4.676 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -17.075 -15.744 5.217 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -14.682 -19.001 2.412 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -16.354 -15.117 2.954 1.00 0.00 H new ATOM 0 HZ PHE A 8 -15.159 -16.745 1.545 1.00 0.00 H new ATOM 106 N ALA A 9 -16.577 -16.234 9.026 1.00 0.00 N ATOM 107 CA ALA A 9 -17.190 -15.727 10.247 1.00 0.00 C ATOM 108 C ALA A 9 -17.616 -14.272 10.086 1.00 0.00 C ATOM 109 O ALA A 9 -17.526 -13.480 11.025 1.00 0.00 O ATOM 110 CB ALA A 9 -16.229 -15.872 11.418 1.00 0.00 C ATOM 0 H ALA A 9 -16.404 -15.523 8.315 1.00 0.00 H new ATOM 0 HA ALA A 9 -18.083 -16.318 10.448 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -16.699 -15.490 12.324 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -15.979 -16.924 11.555 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -15.320 -15.306 11.215 1.00 0.00 H new ATOM 116 N ASN A 10 -18.078 -13.926 8.889 1.00 0.00 N ATOM 117 CA ASN A 10 -18.518 -12.564 8.605 1.00 0.00 C ATOM 118 C ASN A 10 -19.695 -12.176 9.492 1.00 0.00 C ATOM 119 O ASN A 10 -19.580 -11.293 10.343 1.00 0.00 O ATOM 120 CB ASN A 10 -18.911 -12.431 7.131 1.00 0.00 C ATOM 121 CG ASN A 10 -18.738 -11.017 6.614 1.00 0.00 C ATOM 122 OD1 ASN A 10 -17.806 -10.312 6.999 1.00 0.00 O ATOM 123 ND2 ASN A 10 -19.639 -10.594 5.734 1.00 0.00 N ATOM 0 H ASN A 10 -18.158 -14.568 8.101 1.00 0.00 H new ATOM 0 HA ASN A 10 -17.689 -11.889 8.817 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -18.304 -13.111 6.533 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -19.950 -12.737 7.005 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -19.574 -9.651 5.350 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -20.396 -11.212 5.442 1.00 0.00 H new ATOM 130 N VAL A 11 -20.828 -12.842 9.291 1.00 0.00 N ATOM 131 CA VAL A 11 -22.027 -12.567 10.074 1.00 0.00 C ATOM 132 C VAL A 11 -22.573 -13.844 10.707 1.00 0.00 C ATOM 133 O VAL A 11 -22.492 -14.923 10.122 1.00 0.00 O ATOM 134 CB VAL A 11 -23.127 -11.920 9.209 1.00 0.00 C ATOM 135 CG1 VAL A 11 -23.544 -12.852 8.081 1.00 0.00 C ATOM 136 CG2 VAL A 11 -24.325 -11.533 10.062 1.00 0.00 C ATOM 0 H VAL A 11 -20.941 -13.576 8.592 1.00 0.00 H new ATOM 0 HA VAL A 11 -21.740 -11.870 10.861 1.00 0.00 H new ATOM 0 HB VAL A 11 -22.720 -11.012 8.765 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -24.321 -12.375 7.484 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -22.682 -13.068 7.450 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -23.928 -13.782 8.501 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -25.089 -11.078 9.431 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -24.733 -12.423 10.542 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -24.013 -10.820 10.825 1.00 0.00 H new ATOM 146 N GLY A 12 -23.131 -13.710 11.907 1.00 0.00 N ATOM 147 CA GLY A 12 -23.682 -14.859 12.600 1.00 0.00 C ATOM 148 C GLY A 12 -22.915 -15.200 13.862 1.00 0.00 C ATOM 149 O GLY A 12 -23.401 -14.978 14.971 1.00 0.00 O ATOM 0 H GLY A 12 -23.211 -12.827 12.411 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -24.723 -14.661 12.854 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -23.676 -15.720 11.931 1.00 0.00 H new ATOM 153 N VAL A 13 -21.712 -15.740 13.694 1.00 0.00 N ATOM 154 CA VAL A 13 -20.875 -16.113 14.828 1.00 0.00 C ATOM 155 C VAL A 13 -19.557 -15.344 14.815 1.00 0.00 C ATOM 156 O VAL A 13 -19.134 -14.837 13.775 1.00 0.00 O ATOM 157 CB VAL A 13 -20.575 -17.623 14.834 1.00 0.00 C ATOM 158 CG1 VAL A 13 -19.878 -18.024 16.125 1.00 0.00 C ATOM 159 CG2 VAL A 13 -21.855 -18.421 14.640 1.00 0.00 C ATOM 0 H VAL A 13 -21.295 -15.929 12.783 1.00 0.00 H new ATOM 0 HA VAL A 13 -21.433 -15.858 15.729 1.00 0.00 H new ATOM 0 HB VAL A 13 -19.905 -17.846 14.003 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -19.674 -19.095 16.111 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -18.940 -17.477 16.217 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -20.520 -17.788 16.974 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -21.624 -19.486 14.647 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -22.551 -18.195 15.448 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -22.309 -18.154 13.686 1.00 0.00 H new ATOM 169 N GLY A 14 -18.914 -15.260 15.974 1.00 0.00 N ATOM 170 CA GLY A 14 -17.652 -14.551 16.073 1.00 0.00 C ATOM 171 C GLY A 14 -17.794 -13.074 15.764 1.00 0.00 C ATOM 172 O GLY A 14 -17.812 -12.675 14.601 1.00 0.00 O ATOM 0 H GLY A 14 -19.244 -15.670 16.847 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -17.248 -14.672 17.078 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -16.933 -14.996 15.385 1.00 0.00 H new ATOM 176 N THR A 15 -17.895 -12.259 16.810 1.00 0.00 N ATOM 177 CA THR A 15 -18.039 -10.818 16.643 1.00 0.00 C ATOM 178 C THR A 15 -17.118 -10.060 17.595 1.00 0.00 C ATOM 179 O THR A 15 -16.449 -9.108 17.199 1.00 0.00 O ATOM 180 CB THR A 15 -19.489 -10.399 16.880 1.00 0.00 C ATOM 181 OG1 THR A 15 -20.372 -11.180 16.096 1.00 0.00 O ATOM 182 CG2 THR A 15 -19.752 -8.943 16.556 1.00 0.00 C ATOM 0 H THR A 15 -17.880 -12.572 17.781 1.00 0.00 H new ATOM 0 HA THR A 15 -17.756 -10.569 15.620 1.00 0.00 H new ATOM 0 HB THR A 15 -19.664 -10.555 17.944 1.00 0.00 H new ATOM 0 HG1 THR A 15 -21.295 -10.897 16.263 1.00 0.00 H new ATOM 0 HG21 THR A 15 -20.800 -8.711 16.746 1.00 0.00 H new ATOM 0 HG22 THR A 15 -19.121 -8.311 17.182 1.00 0.00 H new ATOM 0 HG23 THR A 15 -19.524 -8.757 15.506 1.00 0.00 H new ATOM 190 N SER A 16 -17.091 -10.490 18.852 1.00 0.00 N ATOM 191 CA SER A 16 -16.253 -9.848 19.858 1.00 0.00 C ATOM 192 C SER A 16 -14.951 -10.618 20.057 1.00 0.00 C ATOM 193 O SER A 16 -14.868 -11.807 19.750 1.00 0.00 O ATOM 194 CB SER A 16 -17.004 -9.746 21.188 1.00 0.00 C ATOM 195 OG SER A 16 -18.383 -9.494 20.976 1.00 0.00 O ATOM 0 H SER A 16 -17.638 -11.278 19.198 1.00 0.00 H new ATOM 0 HA SER A 16 -16.011 -8.846 19.505 1.00 0.00 H new ATOM 0 HB2 SER A 16 -16.882 -10.672 21.750 1.00 0.00 H new ATOM 0 HB3 SER A 16 -16.574 -8.947 21.792 1.00 0.00 H new ATOM 0 HG SER A 16 -18.841 -9.435 21.840 1.00 0.00 H new ATOM 201 N SER A 17 -13.935 -9.931 20.573 1.00 0.00 N ATOM 202 CA SER A 17 -12.633 -10.545 20.818 1.00 0.00 C ATOM 203 C SER A 17 -11.914 -10.850 19.506 1.00 0.00 C ATOM 204 O SER A 17 -10.857 -10.289 19.223 1.00 0.00 O ATOM 205 CB SER A 17 -12.791 -11.829 21.638 1.00 0.00 C ATOM 206 OG SER A 17 -11.616 -12.106 22.380 1.00 0.00 O ATOM 0 H SER A 17 -13.989 -8.945 20.830 1.00 0.00 H new ATOM 0 HA SER A 17 -12.030 -9.835 21.384 1.00 0.00 H new ATOM 0 HB2 SER A 17 -13.639 -11.730 22.316 1.00 0.00 H new ATOM 0 HB3 SER A 17 -13.011 -12.664 20.973 1.00 0.00 H new ATOM 0 HG SER A 17 -11.742 -12.929 22.897 1.00 0.00 H new ATOM 212 N GLY A 18 -12.492 -11.747 18.713 1.00 0.00 N ATOM 213 CA GLY A 18 -11.890 -12.115 17.445 1.00 0.00 C ATOM 214 C GLY A 18 -11.944 -10.996 16.423 1.00 0.00 C ATOM 215 O GLY A 18 -12.618 -11.113 15.399 1.00 0.00 O ATOM 0 H GLY A 18 -13.367 -12.226 18.926 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.851 -12.400 17.610 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -12.401 -12.991 17.046 1.00 0.00 H new ATOM 219 N LYS A 19 -11.231 -9.907 16.698 1.00 0.00 N ATOM 220 CA LYS A 19 -11.198 -8.760 15.795 1.00 0.00 C ATOM 221 C LYS A 19 -10.373 -7.623 16.388 1.00 0.00 C ATOM 222 O LYS A 19 -10.730 -6.451 16.261 1.00 0.00 O ATOM 223 CB LYS A 19 -12.618 -8.273 15.494 1.00 0.00 C ATOM 224 CG LYS A 19 -13.519 -8.214 16.715 1.00 0.00 C ATOM 225 CD LYS A 19 -13.377 -6.890 17.452 1.00 0.00 C ATOM 226 CE LYS A 19 -13.775 -5.715 16.573 1.00 0.00 C ATOM 227 NZ LYS A 19 -15.020 -5.991 15.804 1.00 0.00 N ATOM 0 H LYS A 19 -10.667 -9.795 17.541 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.729 -9.079 14.865 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -12.564 -7.281 15.046 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -13.069 -8.933 14.753 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -14.556 -8.352 16.410 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -13.274 -9.035 17.389 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -13.999 -6.903 18.347 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -12.346 -6.765 17.782 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -13.921 -4.831 17.194 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -12.964 -5.489 15.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -15.487 -5.093 15.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -14.782 -6.500 14.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -15.661 -6.573 16.379 1.00 0.00 H new ATOM 241 N GLN A 20 -9.267 -7.974 17.036 1.00 0.00 N ATOM 242 CA GLN A 20 -8.391 -6.981 17.648 1.00 0.00 C ATOM 243 C GLN A 20 -6.976 -7.083 17.087 1.00 0.00 C ATOM 244 O GLN A 20 -6.141 -7.817 17.613 1.00 0.00 O ATOM 245 CB GLN A 20 -8.365 -7.161 19.168 1.00 0.00 C ATOM 246 CG GLN A 20 -9.348 -6.266 19.904 1.00 0.00 C ATOM 247 CD GLN A 20 -8.714 -4.978 20.390 1.00 0.00 C ATOM 248 OE1 GLN A 20 -7.790 -4.996 21.205 1.00 0.00 O ATOM 249 NE2 GLN A 20 -9.205 -3.850 19.889 1.00 0.00 N ATOM 0 H GLN A 20 -8.956 -8.939 17.151 1.00 0.00 H new ATOM 0 HA GLN A 20 -8.784 -5.992 17.413 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.586 -8.202 19.406 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.358 -6.957 19.532 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -10.182 -6.029 19.244 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -9.759 -6.808 20.756 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -9.971 -3.882 19.216 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.816 -2.952 20.177 1.00 0.00 H new ATOM 258 N LYS A 21 -6.714 -6.337 16.019 1.00 0.00 N ATOM 259 CA LYS A 21 -5.399 -6.342 15.388 1.00 0.00 C ATOM 260 C LYS A 21 -5.021 -7.745 14.925 1.00 0.00 C ATOM 261 O LYS A 21 -4.381 -8.500 15.657 1.00 0.00 O ATOM 262 CB LYS A 21 -4.344 -5.809 16.358 1.00 0.00 C ATOM 263 CG LYS A 21 -3.299 -4.925 15.698 1.00 0.00 C ATOM 264 CD LYS A 21 -1.920 -5.567 15.737 1.00 0.00 C ATOM 265 CE LYS A 21 -1.304 -5.483 17.123 1.00 0.00 C ATOM 266 NZ LYS A 21 -0.853 -4.100 17.450 1.00 0.00 N ATOM 0 H LYS A 21 -7.394 -5.722 15.573 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.441 -5.692 14.514 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.841 -5.243 17.146 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.845 -6.651 16.837 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.583 -4.734 14.663 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.266 -3.960 16.203 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.995 -6.611 15.434 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.267 -5.073 15.017 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.032 -5.812 17.864 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.456 -6.165 17.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.290 -4.116 18.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.271 -3.731 16.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.682 -3.487 17.583 1.00 0.00 H new ATOM 280 N ARG A 22 -5.419 -8.089 13.703 1.00 0.00 N ATOM 281 CA ARG A 22 -5.119 -9.401 13.142 1.00 0.00 C ATOM 282 C ARG A 22 -5.458 -9.448 11.657 1.00 0.00 C ATOM 283 O ARG A 22 -6.131 -8.559 11.135 1.00 0.00 O ATOM 284 CB ARG A 22 -5.894 -10.488 13.891 1.00 0.00 C ATOM 285 CG ARG A 22 -5.083 -11.749 14.142 1.00 0.00 C ATOM 286 CD ARG A 22 -5.934 -13.000 13.990 1.00 0.00 C ATOM 287 NE ARG A 22 -6.674 -13.311 15.211 1.00 0.00 N ATOM 288 CZ ARG A 22 -7.200 -14.505 15.476 1.00 0.00 C ATOM 289 NH1 ARG A 22 -7.069 -15.503 14.609 1.00 0.00 N ATOM 290 NH2 ARG A 22 -7.858 -14.703 16.610 1.00 0.00 N ATOM 0 H ARG A 22 -5.950 -7.477 13.083 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.050 -9.583 13.257 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.233 -10.088 14.846 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.785 -10.747 13.319 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.247 -11.790 13.444 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -4.659 -11.716 15.146 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.635 -12.864 13.166 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.295 -13.843 13.729 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.795 -12.570 15.901 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.563 -15.356 13.735 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.474 -16.416 14.817 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.961 -13.940 17.280 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.261 -15.618 16.813 1.00 0.00 H new ATOM 304 N TYR A 23 -4.987 -10.491 10.980 1.00 0.00 N ATOM 305 CA TYR A 23 -5.241 -10.654 9.553 1.00 0.00 C ATOM 306 C TYR A 23 -4.654 -9.492 8.759 1.00 0.00 C ATOM 307 O TYR A 23 -5.126 -8.358 8.859 1.00 0.00 O ATOM 308 CB TYR A 23 -6.743 -10.759 9.289 1.00 0.00 C ATOM 309 CG TYR A 23 -7.383 -11.988 9.898 1.00 0.00 C ATOM 310 CD1 TYR A 23 -6.994 -13.262 9.508 1.00 0.00 C ATOM 311 CD2 TYR A 23 -8.377 -11.871 10.861 1.00 0.00 C ATOM 312 CE1 TYR A 23 -7.576 -14.387 10.062 1.00 0.00 C ATOM 313 CE2 TYR A 23 -8.964 -12.991 11.420 1.00 0.00 C ATOM 314 CZ TYR A 23 -8.561 -14.246 11.016 1.00 0.00 C ATOM 315 OH TYR A 23 -9.143 -15.363 11.569 1.00 0.00 O ATOM 0 H TYR A 23 -4.428 -11.235 11.397 1.00 0.00 H new ATOM 0 HA TYR A 23 -4.757 -11.575 9.227 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -7.235 -9.870 9.684 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.914 -10.767 8.213 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.224 -13.376 8.759 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.697 -10.889 11.178 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -7.261 -15.371 9.749 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -9.734 -12.883 12.169 1.00 0.00 H new ATOM 0 HH TYR A 23 -9.817 -15.090 12.225 1.00 0.00 H new ATOM 325 N LYS A 24 -3.626 -9.781 7.969 1.00 0.00 N ATOM 326 CA LYS A 24 -2.977 -8.759 7.155 1.00 0.00 C ATOM 327 C LYS A 24 -3.881 -8.325 6.008 1.00 0.00 C ATOM 328 O LYS A 24 -3.576 -8.557 4.837 1.00 0.00 O ATOM 329 CB LYS A 24 -1.647 -9.282 6.606 1.00 0.00 C ATOM 330 CG LYS A 24 -1.778 -10.587 5.837 1.00 0.00 C ATOM 331 CD LYS A 24 -0.806 -10.646 4.669 1.00 0.00 C ATOM 332 CE LYS A 24 -1.457 -11.247 3.433 1.00 0.00 C ATOM 333 NZ LYS A 24 -2.451 -10.325 2.824 1.00 0.00 N ATOM 0 H LYS A 24 -3.224 -10.714 7.875 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.783 -7.893 7.788 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.211 -8.527 5.952 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.953 -9.426 7.434 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.593 -11.426 6.508 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.798 -10.692 5.468 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.448 -9.642 4.441 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.065 -11.239 4.948 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.688 -11.488 2.699 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.947 -12.183 3.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.233 -10.877 2.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.823 -9.684 3.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.994 -9.768 2.074 1.00 0.00 H new ATOM 347 N PHE A 25 -4.998 -7.695 6.354 1.00 0.00 N ATOM 348 CA PHE A 25 -5.951 -7.225 5.359 1.00 0.00 C ATOM 349 C PHE A 25 -5.311 -6.209 4.428 1.00 0.00 C ATOM 350 O PHE A 25 -4.352 -5.534 4.800 1.00 0.00 O ATOM 351 CB PHE A 25 -7.176 -6.614 6.043 1.00 0.00 C ATOM 352 CG PHE A 25 -8.376 -7.518 6.045 1.00 0.00 C ATOM 353 CD1 PHE A 25 -8.852 -8.062 4.863 1.00 0.00 C ATOM 354 CD2 PHE A 25 -9.025 -7.825 7.230 1.00 0.00 C ATOM 355 CE1 PHE A 25 -9.955 -8.895 4.863 1.00 0.00 C ATOM 356 CE2 PHE A 25 -10.127 -8.657 7.236 1.00 0.00 C ATOM 357 CZ PHE A 25 -10.593 -9.194 6.051 1.00 0.00 C ATOM 0 H PHE A 25 -5.265 -7.498 7.319 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.268 -8.082 4.764 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -6.919 -6.362 7.072 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.435 -5.681 5.541 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -8.356 -7.833 3.932 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -8.665 -7.409 8.159 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -10.318 -9.312 3.935 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -10.625 -8.888 8.166 1.00 0.00 H new ATOM 0 HZ PHE A 25 -11.454 -9.846 6.054 1.00 0.00 H new ATOM 367 N SER A 26 -5.860 -6.087 3.222 1.00 0.00 N ATOM 368 CA SER A 26 -5.351 -5.128 2.248 1.00 0.00 C ATOM 369 C SER A 26 -5.746 -3.721 2.677 1.00 0.00 C ATOM 370 O SER A 26 -6.333 -2.958 1.909 1.00 0.00 O ATOM 371 CB SER A 26 -5.903 -5.434 0.855 1.00 0.00 C ATOM 372 OG SER A 26 -5.027 -6.284 0.134 1.00 0.00 O ATOM 0 H SER A 26 -6.654 -6.638 2.898 1.00 0.00 H new ATOM 0 HA SER A 26 -4.264 -5.202 2.205 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.881 -5.906 0.944 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.047 -4.504 0.305 1.00 0.00 H new ATOM 0 HG SER A 26 -5.404 -6.466 -0.752 1.00 0.00 H new ATOM 378 N ALA A 27 -5.428 -3.402 3.926 1.00 0.00 N ATOM 379 CA ALA A 27 -5.744 -2.113 4.514 1.00 0.00 C ATOM 380 C ALA A 27 -5.510 -2.156 6.020 1.00 0.00 C ATOM 381 O ALA A 27 -5.234 -1.128 6.641 1.00 0.00 O ATOM 382 CB ALA A 27 -7.183 -1.724 4.208 1.00 0.00 C ATOM 0 H ALA A 27 -4.941 -4.036 4.560 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.088 -1.359 4.078 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.401 -0.755 4.657 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.322 -1.663 3.129 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.858 -2.475 4.619 1.00 0.00 H new ATOM 388 N SER A 28 -5.615 -3.353 6.613 1.00 0.00 N ATOM 389 CA SER A 28 -5.405 -3.508 8.049 1.00 0.00 C ATOM 390 C SER A 28 -4.076 -2.888 8.472 1.00 0.00 C ATOM 391 O SER A 28 -3.927 -2.426 9.604 1.00 0.00 O ATOM 392 CB SER A 28 -5.441 -4.989 8.437 1.00 0.00 C ATOM 393 OG SER A 28 -4.686 -5.232 9.612 1.00 0.00 O ATOM 0 H SER A 28 -5.842 -4.217 6.122 1.00 0.00 H new ATOM 0 HA SER A 28 -6.210 -2.988 8.568 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.473 -5.301 8.595 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.047 -5.591 7.618 1.00 0.00 H new ATOM 0 HG SER A 28 -4.728 -6.185 9.837 1.00 0.00 H new ATOM 399 N GLU A 29 -3.116 -2.878 7.553 1.00 0.00 N ATOM 400 CA GLU A 29 -1.800 -2.311 7.827 1.00 0.00 C ATOM 401 C GLU A 29 -1.902 -0.810 8.081 1.00 0.00 C ATOM 402 O GLU A 29 -1.388 -0.300 9.079 1.00 0.00 O ATOM 403 CB GLU A 29 -0.855 -2.580 6.654 1.00 0.00 C ATOM 404 CG GLU A 29 0.584 -2.173 6.926 1.00 0.00 C ATOM 405 CD GLU A 29 1.205 -1.419 5.766 1.00 0.00 C ATOM 406 OE1 GLU A 29 0.841 -0.241 5.561 1.00 0.00 O ATOM 407 OE2 GLU A 29 2.055 -2.005 5.063 1.00 0.00 O ATOM 0 H GLU A 29 -3.224 -3.256 6.612 1.00 0.00 H new ATOM 0 HA GLU A 29 -1.401 -2.788 8.722 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.884 -3.642 6.412 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.216 -2.043 5.777 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.619 -1.550 7.820 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.177 -3.064 7.135 1.00 0.00 H new ATOM 414 N ASP A 30 -2.572 -0.106 7.173 1.00 0.00 N ATOM 415 CA ASP A 30 -2.744 1.337 7.298 1.00 0.00 C ATOM 416 C ASP A 30 -3.403 1.690 8.628 1.00 0.00 C ATOM 417 O ASP A 30 -3.166 2.762 9.184 1.00 0.00 O ATOM 418 CB ASP A 30 -3.585 1.874 6.138 1.00 0.00 C ATOM 419 CG ASP A 30 -2.987 3.124 5.522 1.00 0.00 C ATOM 420 OD1 ASP A 30 -2.556 4.013 6.285 1.00 0.00 O ATOM 421 OD2 ASP A 30 -2.950 3.214 4.277 1.00 0.00 O ATOM 0 H ASP A 30 -3.004 -0.512 6.343 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.758 1.801 7.266 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.678 1.103 5.373 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.592 2.093 6.493 1.00 0.00 H new ATOM 426 N GLU A 31 -4.224 0.777 9.136 1.00 0.00 N ATOM 427 CA GLU A 31 -4.907 0.990 10.404 1.00 0.00 C ATOM 428 C GLU A 31 -3.906 1.007 11.553 1.00 0.00 C ATOM 429 O GLU A 31 -4.050 1.767 12.511 1.00 0.00 O ATOM 430 CB GLU A 31 -5.954 -0.101 10.637 1.00 0.00 C ATOM 431 CG GLU A 31 -7.056 -0.116 9.590 1.00 0.00 C ATOM 432 CD GLU A 31 -8.011 1.052 9.732 1.00 0.00 C ATOM 433 OE1 GLU A 31 -9.002 0.923 10.482 1.00 0.00 O ATOM 434 OE2 GLU A 31 -7.767 2.099 9.093 1.00 0.00 O ATOM 0 H GLU A 31 -4.432 -0.116 8.689 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.410 1.956 10.364 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.459 -1.072 10.647 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.401 0.039 11.621 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.608 -0.096 8.596 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.614 -1.049 9.669 1.00 0.00 H new ATOM 441 N ALA A 32 -2.885 0.163 11.445 1.00 0.00 N ATOM 442 CA ALA A 32 -1.855 0.083 12.468 1.00 0.00 C ATOM 443 C ALA A 32 -0.975 1.324 12.451 1.00 0.00 C ATOM 444 O ALA A 32 -0.523 1.790 13.496 1.00 0.00 O ATOM 445 CB ALA A 32 -1.014 -1.171 12.280 1.00 0.00 C ATOM 0 H ALA A 32 -2.751 -0.474 10.659 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.345 0.029 13.440 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.248 -1.215 13.054 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.653 -2.051 12.351 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -0.538 -1.146 11.300 1.00 0.00 H new ATOM 451 N ILE A 33 -0.739 1.862 11.259 1.00 0.00 N ATOM 452 CA ILE A 33 0.085 3.058 11.122 1.00 0.00 C ATOM 453 C ILE A 33 -0.643 4.283 11.652 1.00 0.00 C ATOM 454 O ILE A 33 -0.049 5.133 12.314 1.00 0.00 O ATOM 455 CB ILE A 33 0.495 3.329 9.661 1.00 0.00 C ATOM 456 CG1 ILE A 33 0.830 2.025 8.938 1.00 0.00 C ATOM 457 CG2 ILE A 33 1.681 4.283 9.625 1.00 0.00 C ATOM 458 CD1 ILE A 33 1.310 2.224 7.515 1.00 0.00 C ATOM 0 H ILE A 33 -1.103 1.493 10.381 1.00 0.00 H new ATOM 0 HA ILE A 33 0.985 2.871 11.707 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.346 3.791 9.143 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.599 1.495 9.501 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.054 1.388 8.928 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.966 4.470 8.590 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.406 5.224 10.102 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.522 3.839 10.158 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.528 1.255 7.066 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.535 2.726 6.936 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.213 2.835 7.518 1.00 0.00 H new ATOM 470 N ILE A 34 -1.936 4.371 11.357 1.00 0.00 N ATOM 471 CA ILE A 34 -2.737 5.498 11.811 1.00 0.00 C ATOM 472 C ILE A 34 -2.856 5.501 13.327 1.00 0.00 C ATOM 473 O ILE A 34 -2.854 6.558 13.957 1.00 0.00 O ATOM 474 CB ILE A 34 -4.146 5.489 11.189 1.00 0.00 C ATOM 475 CG1 ILE A 34 -4.856 4.174 11.498 1.00 0.00 C ATOM 476 CG2 ILE A 34 -4.064 5.714 9.686 1.00 0.00 C ATOM 477 CD1 ILE A 34 -6.301 4.147 11.049 1.00 0.00 C ATOM 0 H ILE A 34 -2.447 3.679 10.809 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.223 6.402 11.484 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.724 6.302 11.627 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.319 3.358 11.015 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.814 3.991 12.572 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.068 5.705 9.261 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.595 6.678 9.487 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.471 4.921 9.231 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.742 3.183 11.301 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.853 4.941 11.552 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.350 4.298 9.971 1.00 0.00 H new ATOM 489 N LYS A 35 -2.951 4.311 13.912 1.00 0.00 N ATOM 490 CA LYS A 35 -3.058 4.185 15.360 1.00 0.00 C ATOM 491 C LYS A 35 -1.715 4.484 16.016 1.00 0.00 C ATOM 492 O LYS A 35 -1.654 5.080 17.094 1.00 0.00 O ATOM 493 CB LYS A 35 -3.530 2.779 15.740 1.00 0.00 C ATOM 494 CG LYS A 35 -4.668 2.772 16.747 1.00 0.00 C ATOM 495 CD LYS A 35 -6.022 2.732 16.057 1.00 0.00 C ATOM 496 CE LYS A 35 -7.009 1.854 16.811 1.00 0.00 C ATOM 497 NZ LYS A 35 -7.562 0.773 15.947 1.00 0.00 N ATOM 0 H LYS A 35 -2.956 3.424 13.408 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.792 4.907 15.718 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.850 2.256 14.839 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.689 2.221 16.151 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.568 1.909 17.405 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.605 3.660 17.375 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.421 3.743 15.978 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.902 2.356 15.041 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.514 1.411 17.675 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.825 2.468 17.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.230 0.197 16.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.056 1.196 15.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.786 0.171 15.605 1.00 0.00 H new ATOM 511 N GLY A 36 -0.641 4.071 15.352 1.00 0.00 N ATOM 512 CA GLY A 36 0.691 4.304 15.874 1.00 0.00 C ATOM 513 C GLY A 36 1.030 5.778 15.949 1.00 0.00 C ATOM 514 O GLY A 36 1.461 6.271 16.991 1.00 0.00 O ATOM 0 H GLY A 36 -0.670 3.578 14.460 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.771 3.864 16.868 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.420 3.798 15.242 1.00 0.00 H new ATOM 518 N LEU A 37 0.834 6.486 14.841 1.00 0.00 N ATOM 519 CA LEU A 37 1.118 7.914 14.785 1.00 0.00 C ATOM 520 C LEU A 37 0.108 8.700 15.613 1.00 0.00 C ATOM 521 O LEU A 37 0.430 9.743 16.180 1.00 0.00 O ATOM 522 CB LEU A 37 1.098 8.405 13.336 1.00 0.00 C ATOM 523 CG LEU A 37 2.445 8.345 12.613 1.00 0.00 C ATOM 524 CD1 LEU A 37 2.524 7.106 11.736 1.00 0.00 C ATOM 525 CD2 LEU A 37 2.663 9.601 11.784 1.00 0.00 C ATOM 0 H LEU A 37 0.479 6.093 13.969 1.00 0.00 H new ATOM 0 HA LEU A 37 2.112 8.078 15.202 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.376 7.810 12.777 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.741 9.435 13.322 1.00 0.00 H new ATOM 0 HG LEU A 37 3.235 8.287 13.362 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.489 7.080 11.229 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.414 6.215 12.354 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.726 7.134 10.995 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.626 9.540 11.277 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.868 9.691 11.043 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.651 10.474 12.436 1.00 0.00 H new ATOM 537 N ALA A 38 -1.117 8.190 15.678 1.00 0.00 N ATOM 538 CA ALA A 38 -2.175 8.843 16.436 1.00 0.00 C ATOM 539 C ALA A 38 -1.831 8.900 17.922 1.00 0.00 C ATOM 540 O ALA A 38 -2.313 9.771 18.645 1.00 0.00 O ATOM 541 CB ALA A 38 -3.498 8.121 16.228 1.00 0.00 C ATOM 0 H ALA A 38 -1.401 7.327 15.215 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.270 9.866 16.071 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.279 8.621 16.801 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.758 8.136 15.170 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.406 7.088 16.564 1.00 0.00 H new ATOM 547 N ARG A 39 -1.002 7.963 18.372 1.00 0.00 N ATOM 548 CA ARG A 39 -0.605 7.910 19.774 1.00 0.00 C ATOM 549 C ARG A 39 0.765 8.548 19.991 1.00 0.00 C ATOM 550 O ARG A 39 0.968 9.284 20.955 1.00 0.00 O ATOM 551 CB ARG A 39 -0.592 6.463 20.270 1.00 0.00 C ATOM 552 CG ARG A 39 -0.969 6.320 21.735 1.00 0.00 C ATOM 553 CD ARG A 39 -0.967 4.865 22.173 1.00 0.00 C ATOM 554 NE ARG A 39 -1.042 4.731 23.626 1.00 0.00 N ATOM 555 CZ ARG A 39 -1.406 3.615 24.250 1.00 0.00 C ATOM 556 NH1 ARG A 39 -1.727 2.531 23.554 1.00 0.00 N ATOM 557 NH2 ARG A 39 -1.450 3.581 25.575 1.00 0.00 N ATOM 0 H ARG A 39 -0.594 7.233 17.788 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.338 8.479 20.347 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.283 5.874 19.666 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.402 6.044 20.117 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.268 6.886 22.349 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.957 6.749 21.901 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.811 4.348 21.717 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.062 4.378 21.810 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.801 5.542 24.196 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.695 2.551 22.535 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.005 1.678 24.039 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.205 4.411 26.115 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.729 2.725 26.054 1.00 0.00 H new ATOM 571 N PHE A 40 1.700 8.259 19.095 1.00 0.00 N ATOM 572 CA PHE A 40 3.049 8.808 19.202 1.00 0.00 C ATOM 573 C PHE A 40 3.631 9.132 17.829 1.00 0.00 C ATOM 574 O PHE A 40 3.617 8.297 16.925 1.00 0.00 O ATOM 575 CB PHE A 40 3.964 7.827 19.937 1.00 0.00 C ATOM 576 CG PHE A 40 3.934 6.432 19.381 1.00 0.00 C ATOM 577 CD1 PHE A 40 3.013 5.506 19.846 1.00 0.00 C ATOM 578 CD2 PHE A 40 4.828 6.043 18.395 1.00 0.00 C ATOM 579 CE1 PHE A 40 2.985 4.221 19.339 1.00 0.00 C ATOM 580 CE2 PHE A 40 4.803 4.760 17.884 1.00 0.00 C ATOM 581 CZ PHE A 40 3.881 3.848 18.356 1.00 0.00 C ATOM 0 H PHE A 40 1.552 7.651 18.289 1.00 0.00 H new ATOM 0 HA PHE A 40 2.985 9.736 19.770 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.987 8.201 19.898 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.676 7.795 20.988 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.309 5.792 20.613 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.553 6.752 18.022 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.263 3.509 19.711 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.505 4.471 17.116 1.00 0.00 H new ATOM 0 HZ PHE A 40 3.860 2.844 17.958 1.00 0.00 H new ATOM 591 N THR A 41 4.148 10.352 17.687 1.00 0.00 N ATOM 592 CA THR A 41 4.745 10.801 16.433 1.00 0.00 C ATOM 593 C THR A 41 5.198 12.255 16.540 1.00 0.00 C ATOM 594 O THR A 41 4.789 13.103 15.748 1.00 0.00 O ATOM 595 CB THR A 41 3.754 10.649 15.275 1.00 0.00 C ATOM 596 OG1 THR A 41 4.333 11.091 14.060 1.00 0.00 O ATOM 597 CG2 THR A 41 2.475 11.424 15.480 1.00 0.00 C ATOM 0 H THR A 41 4.164 11.050 18.431 1.00 0.00 H new ATOM 0 HA THR A 41 5.615 10.176 16.234 1.00 0.00 H new ATOM 0 HB THR A 41 3.515 9.586 15.236 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.650 12.013 14.165 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.817 11.273 14.624 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.979 11.074 16.385 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.704 12.485 15.579 1.00 0.00 H new ATOM 605 N LYS A 42 6.040 12.536 17.528 1.00 0.00 N ATOM 606 CA LYS A 42 6.542 13.889 17.741 1.00 0.00 C ATOM 607 C LYS A 42 7.979 14.025 17.244 1.00 0.00 C ATOM 608 O LYS A 42 8.847 14.531 17.954 1.00 0.00 O ATOM 609 CB LYS A 42 6.464 14.256 19.224 1.00 0.00 C ATOM 610 CG LYS A 42 5.142 13.883 19.878 1.00 0.00 C ATOM 611 CD LYS A 42 4.249 15.099 20.070 1.00 0.00 C ATOM 612 CE LYS A 42 2.779 14.712 20.086 1.00 0.00 C ATOM 613 NZ LYS A 42 1.935 15.705 19.367 1.00 0.00 N ATOM 0 H LYS A 42 6.389 11.846 18.193 1.00 0.00 H new ATOM 0 HA LYS A 42 5.916 14.575 17.170 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.275 13.758 19.755 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.623 15.329 19.332 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.626 13.146 19.263 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.333 13.415 20.844 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.506 15.597 21.005 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.429 15.815 19.268 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.657 13.731 19.626 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.438 14.625 21.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.940 15.404 19.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.031 16.636 19.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.243 15.770 18.376 1.00 0.00 H new ATOM 627 N GLY A 43 8.220 13.572 16.018 1.00 0.00 N ATOM 628 CA GLY A 43 9.553 13.655 15.448 1.00 0.00 C ATOM 629 C GLY A 43 9.544 14.080 13.990 1.00 0.00 C ATOM 630 O GLY A 43 10.564 13.992 13.308 1.00 0.00 O ATOM 0 H GLY A 43 7.518 13.150 15.410 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.146 14.364 16.025 1.00 0.00 H new ATOM 0 HA3 GLY A 43 10.042 12.685 15.536 1.00 0.00 H new ATOM 634 N GLN A 44 8.390 14.541 13.511 1.00 0.00 N ATOM 635 CA GLN A 44 8.256 14.980 12.124 1.00 0.00 C ATOM 636 C GLN A 44 8.728 13.897 11.153 1.00 0.00 C ATOM 637 O GLN A 44 9.112 14.192 10.021 1.00 0.00 O ATOM 638 CB GLN A 44 9.051 16.269 11.899 1.00 0.00 C ATOM 639 CG GLN A 44 8.203 17.420 11.379 1.00 0.00 C ATOM 640 CD GLN A 44 8.932 18.263 10.350 1.00 0.00 C ATOM 641 OE1 GLN A 44 9.157 19.456 10.556 1.00 0.00 O ATOM 642 NE2 GLN A 44 9.307 17.645 9.237 1.00 0.00 N ATOM 0 H GLN A 44 7.536 14.620 14.062 1.00 0.00 H new ATOM 0 HA GLN A 44 7.200 15.171 11.932 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.518 16.567 12.838 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.856 16.072 11.191 1.00 0.00 H new ATOM 0 HG2 GLN A 44 7.290 17.023 10.936 1.00 0.00 H new ATOM 0 HG3 GLN A 44 7.903 18.052 12.215 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.099 16.655 9.109 1.00 0.00 H new ATOM 0 HE22 GLN A 44 9.803 18.160 8.510 1.00 0.00 H new ATOM 651 N GLN A 45 8.695 12.645 11.603 1.00 0.00 N ATOM 652 CA GLN A 45 9.118 11.521 10.777 1.00 0.00 C ATOM 653 C GLN A 45 8.944 10.203 11.527 1.00 0.00 C ATOM 654 O GLN A 45 9.774 9.301 11.419 1.00 0.00 O ATOM 655 CB GLN A 45 10.580 11.688 10.353 1.00 0.00 C ATOM 656 CG GLN A 45 10.943 10.907 9.102 1.00 0.00 C ATOM 657 CD GLN A 45 11.708 9.634 9.410 1.00 0.00 C ATOM 658 OE1 GLN A 45 12.110 9.399 10.551 1.00 0.00 O ATOM 659 NE2 GLN A 45 11.917 8.808 8.393 1.00 0.00 N ATOM 0 H GLN A 45 8.379 12.385 12.537 1.00 0.00 H new ATOM 0 HA GLN A 45 8.490 11.502 9.886 1.00 0.00 H new ATOM 0 HB2 GLN A 45 10.782 12.746 10.182 1.00 0.00 H new ATOM 0 HB3 GLN A 45 11.226 11.368 11.171 1.00 0.00 H new ATOM 0 HG2 GLN A 45 10.032 10.657 8.558 1.00 0.00 H new ATOM 0 HG3 GLN A 45 11.543 11.537 8.446 1.00 0.00 H new ATOM 0 HE21 GLN A 45 11.566 9.043 7.465 1.00 0.00 H new ATOM 0 HE22 GLN A 45 12.429 7.938 8.540 1.00 0.00 H new ATOM 668 N ARG A 46 7.862 10.103 12.289 1.00 0.00 N ATOM 669 CA ARG A 46 7.578 8.901 13.064 1.00 0.00 C ATOM 670 C ARG A 46 7.126 7.753 12.167 1.00 0.00 C ATOM 671 O ARG A 46 7.233 6.592 12.544 1.00 0.00 O ATOM 672 CB ARG A 46 6.510 9.182 14.121 1.00 0.00 C ATOM 673 CG ARG A 46 6.371 8.072 15.153 1.00 0.00 C ATOM 674 CD ARG A 46 7.602 7.975 16.041 1.00 0.00 C ATOM 675 NE ARG A 46 7.473 8.786 17.249 1.00 0.00 N ATOM 676 CZ ARG A 46 8.506 9.201 17.980 1.00 0.00 C ATOM 677 NH1 ARG A 46 9.746 8.877 17.633 1.00 0.00 N ATOM 678 NH2 ARG A 46 8.298 9.939 19.061 1.00 0.00 N ATOM 0 H ARG A 46 7.165 10.841 12.387 1.00 0.00 H new ATOM 0 HA ARG A 46 8.503 8.606 13.559 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.752 10.114 14.632 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.550 9.330 13.626 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.491 8.256 15.769 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.212 7.121 14.646 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.767 6.934 16.319 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.479 8.297 15.480 1.00 0.00 H new ATOM 0 HE ARG A 46 6.535 9.050 17.551 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.911 8.308 16.803 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.534 9.198 18.196 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.347 10.189 19.333 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.089 10.257 19.621 1.00 0.00 H new ATOM 692 N PHE A 47 6.603 8.080 10.989 1.00 0.00 N ATOM 693 CA PHE A 47 6.116 7.061 10.055 1.00 0.00 C ATOM 694 C PHE A 47 7.097 5.892 9.935 1.00 0.00 C ATOM 695 O PHE A 47 6.689 4.731 9.901 1.00 0.00 O ATOM 696 CB PHE A 47 5.872 7.662 8.663 1.00 0.00 C ATOM 697 CG PHE A 47 5.487 9.116 8.675 1.00 0.00 C ATOM 698 CD1 PHE A 47 4.181 9.503 8.931 1.00 0.00 C ATOM 699 CD2 PHE A 47 6.435 10.097 8.429 1.00 0.00 C ATOM 700 CE1 PHE A 47 3.829 10.839 8.942 1.00 0.00 C ATOM 701 CE2 PHE A 47 6.089 11.434 8.439 1.00 0.00 C ATOM 702 CZ PHE A 47 4.785 11.805 8.696 1.00 0.00 C ATOM 0 H PHE A 47 6.504 9.039 10.656 1.00 0.00 H new ATOM 0 HA PHE A 47 5.174 6.687 10.457 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.776 7.542 8.065 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.085 7.094 8.168 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.430 8.752 9.124 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.457 9.812 8.227 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.808 11.128 9.143 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.838 12.188 8.246 1.00 0.00 H new ATOM 0 HZ PHE A 47 4.512 12.850 8.705 1.00 0.00 H new ATOM 712 N GLN A 48 8.385 6.202 9.867 1.00 0.00 N ATOM 713 CA GLN A 48 9.408 5.169 9.750 1.00 0.00 C ATOM 714 C GLN A 48 9.543 4.372 11.048 1.00 0.00 C ATOM 715 O GLN A 48 9.484 3.140 11.042 1.00 0.00 O ATOM 716 CB GLN A 48 10.755 5.793 9.379 1.00 0.00 C ATOM 717 CG GLN A 48 11.804 4.773 8.970 1.00 0.00 C ATOM 718 CD GLN A 48 13.214 5.328 9.039 1.00 0.00 C ATOM 719 OE1 GLN A 48 13.897 5.447 8.023 1.00 0.00 O ATOM 720 NE2 GLN A 48 13.656 5.668 10.244 1.00 0.00 N ATOM 0 H GLN A 48 8.746 7.156 9.891 1.00 0.00 H new ATOM 0 HA GLN A 48 9.100 4.484 8.960 1.00 0.00 H new ATOM 0 HB2 GLN A 48 10.607 6.498 8.561 1.00 0.00 H new ATOM 0 HB3 GLN A 48 11.128 6.365 10.229 1.00 0.00 H new ATOM 0 HG2 GLN A 48 11.729 3.900 9.618 1.00 0.00 H new ATOM 0 HG3 GLN A 48 11.600 4.434 7.954 1.00 0.00 H new ATOM 0 HE21 GLN A 48 13.054 5.552 11.059 1.00 0.00 H new ATOM 0 HE22 GLN A 48 14.597 6.045 10.354 1.00 0.00 H new ATOM 729 N GLN A 49 9.726 5.082 12.157 1.00 0.00 N ATOM 730 CA GLN A 49 9.874 4.440 13.462 1.00 0.00 C ATOM 731 C GLN A 49 8.662 3.571 13.784 1.00 0.00 C ATOM 732 O GLN A 49 8.804 2.404 14.150 1.00 0.00 O ATOM 733 CB GLN A 49 10.062 5.495 14.553 1.00 0.00 C ATOM 734 CG GLN A 49 11.462 6.084 14.593 1.00 0.00 C ATOM 735 CD GLN A 49 12.125 5.928 15.949 1.00 0.00 C ATOM 736 OE1 GLN A 49 11.949 4.916 16.626 1.00 0.00 O ATOM 737 NE2 GLN A 49 12.890 6.935 16.353 1.00 0.00 N ATOM 0 H GLN A 49 9.776 6.101 12.180 1.00 0.00 H new ATOM 0 HA GLN A 49 10.756 3.801 13.426 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.343 6.299 14.397 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.837 5.049 15.522 1.00 0.00 H new ATOM 0 HG2 GLN A 49 12.077 5.600 13.835 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.414 7.142 14.336 1.00 0.00 H new ATOM 0 HE21 GLN A 49 13.008 7.756 15.759 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.360 6.888 17.257 1.00 0.00 H new ATOM 746 N ILE A 50 7.475 4.146 13.642 1.00 0.00 N ATOM 747 CA ILE A 50 6.238 3.427 13.912 1.00 0.00 C ATOM 748 C ILE A 50 6.139 2.185 13.034 1.00 0.00 C ATOM 749 O ILE A 50 5.700 1.126 13.482 1.00 0.00 O ATOM 750 CB ILE A 50 5.001 4.336 13.691 1.00 0.00 C ATOM 751 CG1 ILE A 50 3.845 3.911 14.598 1.00 0.00 C ATOM 752 CG2 ILE A 50 4.564 4.335 12.232 1.00 0.00 C ATOM 753 CD1 ILE A 50 3.553 2.427 14.562 1.00 0.00 C ATOM 0 H ILE A 50 7.343 5.111 13.340 1.00 0.00 H new ATOM 0 HA ILE A 50 6.253 3.120 14.958 1.00 0.00 H new ATOM 0 HB ILE A 50 5.290 5.354 13.953 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.074 4.202 15.623 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.947 4.455 14.306 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.695 4.982 12.112 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.379 4.702 11.608 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.305 3.320 11.930 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.721 2.203 15.230 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.291 2.132 13.546 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.436 1.875 14.884 1.00 0.00 H new ATOM 765 N TYR A 51 6.562 2.323 11.781 1.00 0.00 N ATOM 766 CA TYR A 51 6.533 1.213 10.838 1.00 0.00 C ATOM 767 C TYR A 51 7.280 0.012 11.407 1.00 0.00 C ATOM 768 O TYR A 51 6.772 -1.110 11.408 1.00 0.00 O ATOM 769 CB TYR A 51 7.145 1.633 9.498 1.00 0.00 C ATOM 770 CG TYR A 51 7.309 0.494 8.514 1.00 0.00 C ATOM 771 CD1 TYR A 51 6.214 -0.241 8.081 1.00 0.00 C ATOM 772 CD2 TYR A 51 8.563 0.153 8.021 1.00 0.00 C ATOM 773 CE1 TYR A 51 6.361 -1.282 7.184 1.00 0.00 C ATOM 774 CE2 TYR A 51 8.719 -0.885 7.124 1.00 0.00 C ATOM 775 CZ TYR A 51 7.615 -1.600 6.708 1.00 0.00 C ATOM 776 OH TYR A 51 7.767 -2.636 5.815 1.00 0.00 O ATOM 0 H TYR A 51 6.929 3.194 11.396 1.00 0.00 H new ATOM 0 HA TYR A 51 5.494 0.929 10.671 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.517 2.401 9.048 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.120 2.085 9.681 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.230 0.005 8.452 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.430 0.709 8.345 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.498 -1.843 6.858 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.701 -1.136 6.750 1.00 0.00 H new ATOM 0 HH TYR A 51 6.893 -3.037 5.627 1.00 0.00 H new ATOM 786 N TYR A 52 8.487 0.262 11.895 1.00 0.00 N ATOM 787 CA TYR A 52 9.312 -0.791 12.477 1.00 0.00 C ATOM 788 C TYR A 52 8.712 -1.295 13.787 1.00 0.00 C ATOM 789 O TYR A 52 8.922 -2.444 14.174 1.00 0.00 O ATOM 790 CB TYR A 52 10.732 -0.281 12.718 1.00 0.00 C ATOM 791 CG TYR A 52 11.613 -0.330 11.490 1.00 0.00 C ATOM 792 CD1 TYR A 52 11.426 0.561 10.440 1.00 0.00 C ATOM 793 CD2 TYR A 52 12.630 -1.269 11.380 1.00 0.00 C ATOM 794 CE1 TYR A 52 12.229 0.518 9.317 1.00 0.00 C ATOM 795 CE2 TYR A 52 13.438 -1.319 10.259 1.00 0.00 C ATOM 796 CZ TYR A 52 13.233 -0.423 9.230 1.00 0.00 C ATOM 797 OH TYR A 52 14.036 -0.469 8.113 1.00 0.00 O ATOM 0 H TYR A 52 8.919 1.186 11.900 1.00 0.00 H new ATOM 0 HA TYR A 52 9.345 -1.621 11.771 1.00 0.00 H new ATOM 0 HB2 TYR A 52 10.683 0.747 13.078 1.00 0.00 H new ATOM 0 HB3 TYR A 52 11.192 -0.874 13.508 1.00 0.00 H new ATOM 0 HD1 TYR A 52 10.640 1.299 10.503 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.793 -1.972 12.183 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.071 1.219 8.510 1.00 0.00 H new ATOM 0 HE2 TYR A 52 14.225 -2.055 10.189 1.00 0.00 H new ATOM 0 HH TYR A 52 14.694 -1.189 8.212 1.00 0.00 H new ATOM 807 N ALA A 53 7.969 -0.427 14.469 1.00 0.00 N ATOM 808 CA ALA A 53 7.347 -0.788 15.737 1.00 0.00 C ATOM 809 C ALA A 53 6.195 -1.762 15.531 1.00 0.00 C ATOM 810 O ALA A 53 6.142 -2.819 16.161 1.00 0.00 O ATOM 811 CB ALA A 53 6.863 0.459 16.460 1.00 0.00 C ATOM 0 H ALA A 53 7.784 0.529 14.165 1.00 0.00 H new ATOM 0 HA ALA A 53 8.099 -1.284 16.351 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.401 0.175 17.405 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.709 1.119 16.653 1.00 0.00 H new ATOM 0 HB3 ALA A 53 6.132 0.978 15.840 1.00 0.00 H new ATOM 817 N TYR A 54 5.277 -1.402 14.646 1.00 0.00 N ATOM 818 CA TYR A 54 4.125 -2.250 14.353 1.00 0.00 C ATOM 819 C TYR A 54 4.503 -3.404 13.420 1.00 0.00 C ATOM 820 O TYR A 54 3.659 -4.232 13.078 1.00 0.00 O ATOM 821 CB TYR A 54 2.980 -1.413 13.758 1.00 0.00 C ATOM 822 CG TYR A 54 2.954 -1.360 12.243 1.00 0.00 C ATOM 823 CD1 TYR A 54 2.411 -2.403 11.500 1.00 0.00 C ATOM 824 CD2 TYR A 54 3.464 -0.265 11.556 1.00 0.00 C ATOM 825 CE1 TYR A 54 2.382 -2.357 10.121 1.00 0.00 C ATOM 826 CE2 TYR A 54 3.436 -0.212 10.177 1.00 0.00 C ATOM 827 CZ TYR A 54 2.896 -1.261 9.464 1.00 0.00 C ATOM 828 OH TYR A 54 2.869 -1.211 8.088 1.00 0.00 O ATOM 0 H TYR A 54 5.305 -0.530 14.118 1.00 0.00 H new ATOM 0 HA TYR A 54 3.782 -2.688 15.290 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.031 -1.818 14.110 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.054 -0.396 14.142 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.005 -3.264 12.011 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.889 0.558 12.110 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.958 -3.177 9.560 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.835 0.647 9.659 1.00 0.00 H new ATOM 0 HH TYR A 54 3.784 -1.128 7.746 1.00 0.00 H new ATOM 838 N ARG A 55 5.772 -3.458 13.011 1.00 0.00 N ATOM 839 CA ARG A 55 6.242 -4.512 12.120 1.00 0.00 C ATOM 840 C ARG A 55 5.898 -5.893 12.673 1.00 0.00 C ATOM 841 O ARG A 55 6.652 -6.462 13.465 1.00 0.00 O ATOM 842 CB ARG A 55 7.754 -4.391 11.912 1.00 0.00 C ATOM 843 CG ARG A 55 8.170 -4.367 10.451 1.00 0.00 C ATOM 844 CD ARG A 55 9.530 -5.017 10.246 1.00 0.00 C ATOM 845 NE ARG A 55 10.497 -4.594 11.256 1.00 0.00 N ATOM 846 CZ ARG A 55 11.620 -5.255 11.527 1.00 0.00 C ATOM 847 NH1 ARG A 55 11.924 -6.365 10.866 1.00 0.00 N ATOM 848 NH2 ARG A 55 12.444 -4.805 12.464 1.00 0.00 N ATOM 0 H ARG A 55 6.488 -2.785 13.283 1.00 0.00 H new ATOM 0 HA ARG A 55 5.738 -4.395 11.161 1.00 0.00 H new ATOM 0 HB2 ARG A 55 8.107 -3.480 12.396 1.00 0.00 H new ATOM 0 HB3 ARG A 55 8.248 -5.227 12.407 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.423 -4.887 9.851 1.00 0.00 H new ATOM 0 HG3 ARG A 55 8.202 -3.336 10.098 1.00 0.00 H new ATOM 0 HD2 ARG A 55 9.422 -6.101 10.279 1.00 0.00 H new ATOM 0 HD3 ARG A 55 9.907 -4.764 9.255 1.00 0.00 H new ATOM 0 HE ARG A 55 10.300 -3.744 11.784 1.00 0.00 H new ATOM 0 HH11 ARG A 55 11.295 -6.717 10.144 1.00 0.00 H new ATOM 0 HH12 ARG A 55 12.787 -6.866 11.080 1.00 0.00 H new ATOM 0 HH21 ARG A 55 12.217 -3.953 12.976 1.00 0.00 H new ATOM 0 HH22 ARG A 55 13.305 -5.311 12.672 1.00 0.00 H new ATOM 862 N SER A 56 4.755 -6.419 12.250 1.00 0.00 N ATOM 863 CA SER A 56 4.300 -7.732 12.697 1.00 0.00 C ATOM 864 C SER A 56 2.995 -8.112 12.007 1.00 0.00 C ATOM 865 O SER A 56 2.801 -9.262 11.611 1.00 0.00 O ATOM 866 CB SER A 56 4.110 -7.741 14.216 1.00 0.00 C ATOM 867 OG SER A 56 3.256 -6.687 14.629 1.00 0.00 O ATOM 0 H SER A 56 4.124 -5.956 11.596 1.00 0.00 H new ATOM 0 HA SER A 56 5.061 -8.466 12.431 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.690 -8.697 14.528 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.078 -7.643 14.707 1.00 0.00 H new ATOM 0 HG SER A 56 3.525 -5.855 14.186 1.00 0.00 H new ATOM 873 N VAL A 57 2.103 -7.136 11.863 1.00 0.00 N ATOM 874 CA VAL A 57 0.816 -7.367 11.215 1.00 0.00 C ATOM 875 C VAL A 57 1.002 -7.707 9.740 1.00 0.00 C ATOM 876 O VAL A 57 0.198 -8.433 9.154 1.00 0.00 O ATOM 877 CB VAL A 57 -0.103 -6.136 11.335 1.00 0.00 C ATOM 878 CG1 VAL A 57 -0.465 -5.878 12.790 1.00 0.00 C ATOM 879 CG2 VAL A 57 0.556 -4.912 10.717 1.00 0.00 C ATOM 0 H VAL A 57 2.247 -6.179 12.186 1.00 0.00 H new ATOM 0 HA VAL A 57 0.349 -8.209 11.726 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.023 -6.340 10.786 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.114 -5.005 12.854 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.984 -6.747 13.195 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.444 -5.697 13.364 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.109 -4.054 10.812 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.493 -4.704 11.233 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.757 -5.100 9.662 1.00 0.00 H new ATOM 889 N TRP A 58 2.067 -7.179 9.146 1.00 0.00 N ATOM 890 CA TRP A 58 2.363 -7.426 7.740 1.00 0.00 C ATOM 891 C TRP A 58 3.639 -8.249 7.590 1.00 0.00 C ATOM 892 O TRP A 58 4.569 -8.117 8.386 1.00 0.00 O ATOM 893 CB TRP A 58 2.504 -6.101 6.988 1.00 0.00 C ATOM 894 CG TRP A 58 2.030 -6.164 5.568 1.00 0.00 C ATOM 895 CD1 TRP A 58 1.097 -7.017 5.049 1.00 0.00 C ATOM 896 CD2 TRP A 58 2.467 -5.340 4.481 1.00 0.00 C ATOM 897 NE1 TRP A 58 0.929 -6.773 3.708 1.00 0.00 N ATOM 898 CE2 TRP A 58 1.759 -5.749 3.336 1.00 0.00 C ATOM 899 CE3 TRP A 58 3.389 -4.296 4.367 1.00 0.00 C ATOM 900 CZ2 TRP A 58 1.944 -5.148 2.092 1.00 0.00 C ATOM 901 CZ3 TRP A 58 3.573 -3.703 3.133 1.00 0.00 C ATOM 902 CH2 TRP A 58 2.852 -4.129 2.010 1.00 0.00 C ATOM 0 H TRP A 58 2.741 -6.576 9.618 1.00 0.00 H new ATOM 0 HA TRP A 58 1.535 -7.992 7.313 1.00 0.00 H new ATOM 0 HB2 TRP A 58 1.941 -5.331 7.516 1.00 0.00 H new ATOM 0 HB3 TRP A 58 3.550 -5.796 7.000 1.00 0.00 H new ATOM 0 HD1 TRP A 58 0.569 -7.773 5.611 1.00 0.00 H new ATOM 0 HE1 TRP A 58 0.290 -7.273 3.090 1.00 0.00 H new ATOM 0 HE3 TRP A 58 3.947 -3.959 5.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 1.390 -5.475 1.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 4.285 -2.897 3.032 1.00 0.00 H new ATOM 0 HH2 TRP A 58 3.017 -3.643 1.060 1.00 0.00 H new ATOM 913 N HIS A 59 3.675 -9.100 6.569 1.00 0.00 N ATOM 914 CA HIS A 59 4.837 -9.946 6.320 1.00 0.00 C ATOM 915 C HIS A 59 6.078 -9.103 6.028 1.00 0.00 C ATOM 916 O HIS A 59 7.116 -9.271 6.668 1.00 0.00 O ATOM 917 CB HIS A 59 4.560 -10.895 5.151 1.00 0.00 C ATOM 918 CG HIS A 59 4.879 -12.327 5.454 1.00 0.00 C ATOM 919 ND1 HIS A 59 5.000 -13.294 4.480 1.00 0.00 N ATOM 920 CD2 HIS A 59 5.103 -12.955 6.633 1.00 0.00 C ATOM 921 CE1 HIS A 59 5.283 -14.454 5.045 1.00 0.00 C ATOM 922 NE2 HIS A 59 5.352 -14.275 6.352 1.00 0.00 N ATOM 0 H HIS A 59 2.914 -9.222 5.901 1.00 0.00 H new ATOM 0 HA HIS A 59 5.027 -10.533 7.219 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.509 -10.817 4.871 1.00 0.00 H new ATOM 0 HB3 HIS A 59 5.144 -10.576 4.288 1.00 0.00 H new ATOM 0 HD2 HIS A 59 5.088 -12.501 7.613 1.00 0.00 H new ATOM 0 HE1 HIS A 59 5.433 -15.390 4.527 1.00 0.00 H new ATOM 0 HE2 HIS A 59 5.557 -15.000 7.040 1.00 0.00 H new ATOM 931 N PRO A 60 5.989 -8.181 5.053 1.00 0.00 N ATOM 932 CA PRO A 60 7.111 -7.313 4.682 1.00 0.00 C ATOM 933 C PRO A 60 7.746 -6.635 5.891 1.00 0.00 C ATOM 934 O PRO A 60 7.052 -6.245 6.832 1.00 0.00 O ATOM 935 CB PRO A 60 6.466 -6.273 3.765 1.00 0.00 C ATOM 936 CG PRO A 60 5.287 -6.968 3.177 1.00 0.00 C ATOM 937 CD PRO A 60 4.787 -7.912 4.238 1.00 0.00 C ATOM 0 HA PRO A 60 7.920 -7.873 4.213 1.00 0.00 H new ATOM 0 HB2 PRO A 60 6.166 -5.386 4.322 1.00 0.00 H new ATOM 0 HB3 PRO A 60 7.159 -5.944 2.990 1.00 0.00 H new ATOM 0 HG2 PRO A 60 4.514 -6.253 2.895 1.00 0.00 H new ATOM 0 HG3 PRO A 60 5.565 -7.510 2.273 1.00 0.00 H new ATOM 0 HD2 PRO A 60 3.991 -7.463 4.832 1.00 0.00 H new ATOM 0 HD3 PRO A 60 4.383 -8.827 3.804 1.00 0.00 H new ATOM 945 N ALA A 61 9.068 -6.496 5.862 1.00 0.00 N ATOM 946 CA ALA A 61 9.794 -5.864 6.956 1.00 0.00 C ATOM 947 C ALA A 61 10.773 -4.818 6.433 1.00 0.00 C ATOM 948 O ALA A 61 11.855 -4.634 6.988 1.00 0.00 O ATOM 949 CB ALA A 61 10.529 -6.914 7.777 1.00 0.00 C ATOM 0 H ALA A 61 9.657 -6.813 5.092 1.00 0.00 H new ATOM 0 HA ALA A 61 9.071 -5.359 7.596 1.00 0.00 H new ATOM 0 HB1 ALA A 61 11.067 -6.428 8.591 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.810 -7.622 8.189 1.00 0.00 H new ATOM 0 HB3 ALA A 61 11.237 -7.444 7.140 1.00 0.00 H new ATOM 955 N ARG A 62 10.385 -4.136 5.360 1.00 0.00 N ATOM 956 CA ARG A 62 11.227 -3.107 4.760 1.00 0.00 C ATOM 957 C ARG A 62 10.525 -2.455 3.572 1.00 0.00 C ATOM 958 O ARG A 62 10.647 -2.916 2.437 1.00 0.00 O ATOM 959 CB ARG A 62 12.561 -3.709 4.310 1.00 0.00 C ATOM 960 CG ARG A 62 12.413 -4.830 3.294 1.00 0.00 C ATOM 961 CD ARG A 62 12.987 -6.139 3.814 1.00 0.00 C ATOM 962 NE ARG A 62 13.320 -7.060 2.730 1.00 0.00 N ATOM 963 CZ ARG A 62 12.414 -7.731 2.022 1.00 0.00 C ATOM 964 NH1 ARG A 62 11.119 -7.587 2.281 1.00 0.00 N ATOM 965 NH2 ARG A 62 12.801 -8.548 1.054 1.00 0.00 N ATOM 0 H ARG A 62 9.492 -4.278 4.888 1.00 0.00 H new ATOM 0 HA ARG A 62 11.416 -2.342 5.513 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.179 -2.920 3.881 1.00 0.00 H new ATOM 0 HB3 ARG A 62 13.091 -4.089 5.183 1.00 0.00 H new ATOM 0 HG2 ARG A 62 11.359 -4.965 3.052 1.00 0.00 H new ATOM 0 HG3 ARG A 62 12.919 -4.552 2.369 1.00 0.00 H new ATOM 0 HD2 ARG A 62 13.881 -5.934 4.403 1.00 0.00 H new ATOM 0 HD3 ARG A 62 12.266 -6.611 4.482 1.00 0.00 H new ATOM 0 HE ARG A 62 14.305 -7.197 2.502 1.00 0.00 H new ATOM 0 HH11 ARG A 62 10.814 -6.960 3.026 1.00 0.00 H new ATOM 0 HH12 ARG A 62 10.429 -8.104 1.735 1.00 0.00 H new ATOM 0 HH21 ARG A 62 13.794 -8.663 0.851 1.00 0.00 H new ATOM 0 HH22 ARG A 62 12.106 -9.062 0.512 1.00 0.00 H new ATOM 979 N THR A 63 9.789 -1.382 3.843 1.00 0.00 N ATOM 980 CA THR A 63 9.065 -0.668 2.797 1.00 0.00 C ATOM 981 C THR A 63 8.624 0.710 3.282 1.00 0.00 C ATOM 982 O THR A 63 7.463 1.092 3.126 1.00 0.00 O ATOM 983 CB THR A 63 7.850 -1.482 2.340 1.00 0.00 C ATOM 984 OG1 THR A 63 7.913 -2.807 2.839 1.00 0.00 O ATOM 985 CG2 THR A 63 7.718 -1.566 0.834 1.00 0.00 C ATOM 0 H THR A 63 9.678 -0.988 4.777 1.00 0.00 H new ATOM 0 HA THR A 63 9.738 -0.533 1.950 1.00 0.00 H new ATOM 0 HB THR A 63 6.984 -0.952 2.737 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.805 -2.795 3.813 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.838 -2.156 0.578 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.615 -0.562 0.421 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.606 -2.040 0.417 1.00 0.00 H new ATOM 993 N VAL A 64 9.558 1.458 3.866 1.00 0.00 N ATOM 994 CA VAL A 64 9.258 2.796 4.365 1.00 0.00 C ATOM 995 C VAL A 64 8.648 3.655 3.265 1.00 0.00 C ATOM 996 O VAL A 64 7.738 4.447 3.513 1.00 0.00 O ATOM 997 CB VAL A 64 10.519 3.488 4.923 1.00 0.00 C ATOM 998 CG1 VAL A 64 10.188 4.878 5.450 1.00 0.00 C ATOM 999 CG2 VAL A 64 11.147 2.635 6.015 1.00 0.00 C ATOM 0 H VAL A 64 10.524 1.161 4.004 1.00 0.00 H new ATOM 0 HA VAL A 64 8.539 2.686 5.177 1.00 0.00 H new ATOM 0 HB VAL A 64 11.238 3.600 4.111 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.093 5.345 5.838 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.783 5.487 4.641 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.450 4.798 6.248 1.00 0.00 H new ATOM 0 HG21 VAL A 64 12.036 3.134 6.401 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.430 2.494 6.824 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.425 1.665 5.604 1.00 0.00 H new ATOM 1009 N SER A 65 9.138 3.478 2.042 1.00 0.00 N ATOM 1010 CA SER A 65 8.620 4.221 0.902 1.00 0.00 C ATOM 1011 C SER A 65 7.135 3.932 0.740 1.00 0.00 C ATOM 1012 O SER A 65 6.315 4.844 0.604 1.00 0.00 O ATOM 1013 CB SER A 65 9.375 3.847 -0.375 1.00 0.00 C ATOM 1014 OG SER A 65 9.613 4.989 -1.180 1.00 0.00 O ATOM 0 H SER A 65 9.891 2.828 1.817 1.00 0.00 H new ATOM 0 HA SER A 65 8.763 5.287 1.080 1.00 0.00 H new ATOM 0 HB2 SER A 65 10.324 3.377 -0.116 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.800 3.114 -0.940 1.00 0.00 H new ATOM 0 HG SER A 65 10.098 4.724 -1.989 1.00 0.00 H new ATOM 1020 N GLN A 66 6.794 2.651 0.786 1.00 0.00 N ATOM 1021 CA GLN A 66 5.407 2.231 0.674 1.00 0.00 C ATOM 1022 C GLN A 66 4.594 2.855 1.800 1.00 0.00 C ATOM 1023 O GLN A 66 3.437 3.232 1.615 1.00 0.00 O ATOM 1024 CB GLN A 66 5.303 0.705 0.728 1.00 0.00 C ATOM 1025 CG GLN A 66 5.270 0.049 -0.642 1.00 0.00 C ATOM 1026 CD GLN A 66 4.055 0.455 -1.453 1.00 0.00 C ATOM 1027 OE1 GLN A 66 3.316 1.365 -1.074 1.00 0.00 O ATOM 1028 NE2 GLN A 66 3.843 -0.220 -2.577 1.00 0.00 N ATOM 0 H GLN A 66 7.460 1.887 0.900 1.00 0.00 H new ATOM 0 HA GLN A 66 5.011 2.567 -0.284 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.150 0.311 1.290 1.00 0.00 H new ATOM 0 HB3 GLN A 66 4.401 0.430 1.275 1.00 0.00 H new ATOM 0 HG2 GLN A 66 6.174 0.315 -1.190 1.00 0.00 H new ATOM 0 HG3 GLN A 66 5.277 -1.034 -0.522 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.482 -0.966 -2.852 1.00 0.00 H new ATOM 0 HE22 GLN A 66 3.042 0.008 -3.165 1.00 0.00 H new ATOM 1037 N LEU A 67 5.226 2.977 2.967 1.00 0.00 N ATOM 1038 CA LEU A 67 4.581 3.574 4.130 1.00 0.00 C ATOM 1039 C LEU A 67 4.058 4.955 3.786 1.00 0.00 C ATOM 1040 O LEU A 67 2.891 5.272 4.023 1.00 0.00 O ATOM 1041 CB LEU A 67 5.566 3.663 5.296 1.00 0.00 C ATOM 1042 CG LEU A 67 4.924 3.699 6.682 1.00 0.00 C ATOM 1043 CD1 LEU A 67 3.913 4.831 6.769 1.00 0.00 C ATOM 1044 CD2 LEU A 67 4.264 2.366 6.993 1.00 0.00 C ATOM 0 H LEU A 67 6.185 2.669 3.129 1.00 0.00 H new ATOM 0 HA LEU A 67 3.743 2.942 4.426 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.242 2.809 5.247 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.174 4.559 5.170 1.00 0.00 H new ATOM 0 HG LEU A 67 5.703 3.878 7.423 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.465 4.843 7.762 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.414 5.781 6.586 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.134 4.681 6.021 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.811 2.407 7.984 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.494 2.159 6.250 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.013 1.575 6.969 1.00 0.00 H new ATOM 1056 N TYR A 68 4.924 5.765 3.197 1.00 0.00 N ATOM 1057 CA TYR A 68 4.546 7.105 2.790 1.00 0.00 C ATOM 1058 C TYR A 68 3.458 7.027 1.725 1.00 0.00 C ATOM 1059 O TYR A 68 2.632 7.928 1.598 1.00 0.00 O ATOM 1060 CB TYR A 68 5.760 7.864 2.251 1.00 0.00 C ATOM 1061 CG TYR A 68 6.679 8.384 3.332 1.00 0.00 C ATOM 1062 CD1 TYR A 68 7.075 7.571 4.388 1.00 0.00 C ATOM 1063 CD2 TYR A 68 7.151 9.690 3.298 1.00 0.00 C ATOM 1064 CE1 TYR A 68 7.916 8.046 5.378 1.00 0.00 C ATOM 1065 CE2 TYR A 68 7.992 10.171 4.284 1.00 0.00 C ATOM 1066 CZ TYR A 68 8.371 9.345 5.321 1.00 0.00 C ATOM 1067 OH TYR A 68 9.208 9.821 6.304 1.00 0.00 O ATOM 0 H TYR A 68 5.892 5.516 2.991 1.00 0.00 H new ATOM 0 HA TYR A 68 4.163 7.644 3.657 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.325 7.206 1.591 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.414 8.702 1.646 1.00 0.00 H new ATOM 0 HD1 TYR A 68 6.720 6.552 4.436 1.00 0.00 H new ATOM 0 HD2 TYR A 68 6.856 10.340 2.488 1.00 0.00 H new ATOM 0 HE1 TYR A 68 8.215 7.402 6.192 1.00 0.00 H new ATOM 0 HE2 TYR A 68 8.351 11.189 4.242 1.00 0.00 H new ATOM 0 HH TYR A 68 9.437 10.755 6.115 1.00 0.00 H new ATOM 1077 N ASP A 69 3.470 5.933 0.962 1.00 0.00 N ATOM 1078 CA ASP A 69 2.487 5.725 -0.095 1.00 0.00 C ATOM 1079 C ASP A 69 1.079 5.575 0.471 1.00 0.00 C ATOM 1080 O ASP A 69 0.150 6.241 0.017 1.00 0.00 O ATOM 1081 CB ASP A 69 2.851 4.492 -0.925 1.00 0.00 C ATOM 1082 CG ASP A 69 2.567 4.686 -2.401 1.00 0.00 C ATOM 1083 OD1 ASP A 69 1.440 4.366 -2.836 1.00 0.00 O ATOM 1084 OD2 ASP A 69 3.471 5.156 -3.124 1.00 0.00 O ATOM 0 H ASP A 69 4.150 5.179 1.058 1.00 0.00 H new ATOM 0 HA ASP A 69 2.500 6.607 -0.736 1.00 0.00 H new ATOM 0 HB2 ASP A 69 3.908 4.264 -0.788 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.289 3.632 -0.559 1.00 0.00 H new ATOM 1089 N HIS A 70 0.921 4.712 1.469 1.00 0.00 N ATOM 1090 CA HIS A 70 -0.394 4.514 2.078 1.00 0.00 C ATOM 1091 C HIS A 70 -0.736 5.702 2.961 1.00 0.00 C ATOM 1092 O HIS A 70 -1.898 6.091 3.081 1.00 0.00 O ATOM 1093 CB HIS A 70 -0.480 3.219 2.903 1.00 0.00 C ATOM 1094 CG HIS A 70 0.683 2.292 2.749 1.00 0.00 C ATOM 1095 ND1 HIS A 70 1.686 2.195 3.685 1.00 0.00 N ATOM 1096 CD2 HIS A 70 0.991 1.404 1.774 1.00 0.00 C ATOM 1097 CE1 HIS A 70 2.562 1.290 3.296 1.00 0.00 C ATOM 1098 NE2 HIS A 70 2.164 0.791 2.141 1.00 0.00 N ATOM 0 H HIS A 70 1.670 4.147 1.869 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.112 4.426 1.263 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.578 3.483 3.956 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -1.389 2.687 2.622 1.00 0.00 H new ATOM 0 HD1 HIS A 70 1.743 2.739 4.546 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.421 1.214 0.876 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.455 1.005 3.832 1.00 0.00 H new ATOM 1107 N TRP A 71 0.289 6.276 3.572 1.00 0.00 N ATOM 1108 CA TRP A 71 0.113 7.424 4.442 1.00 0.00 C ATOM 1109 C TRP A 71 -0.200 8.675 3.624 1.00 0.00 C ATOM 1110 O TRP A 71 -0.883 9.583 4.099 1.00 0.00 O ATOM 1111 CB TRP A 71 1.365 7.637 5.292 1.00 0.00 C ATOM 1112 CG TRP A 71 1.065 8.188 6.652 1.00 0.00 C ATOM 1113 CD1 TRP A 71 0.919 7.479 7.809 1.00 0.00 C ATOM 1114 CD2 TRP A 71 0.865 9.563 6.995 1.00 0.00 C ATOM 1115 NE1 TRP A 71 0.643 8.331 8.851 1.00 0.00 N ATOM 1116 CE2 TRP A 71 0.605 9.616 8.377 1.00 0.00 C ATOM 1117 CE3 TRP A 71 0.883 10.757 6.267 1.00 0.00 C ATOM 1118 CZ2 TRP A 71 0.364 10.814 9.045 1.00 0.00 C ATOM 1119 CZ3 TRP A 71 0.644 11.946 6.932 1.00 0.00 C ATOM 1120 CH2 TRP A 71 0.388 11.966 8.309 1.00 0.00 C ATOM 0 H TRP A 71 1.255 5.962 3.479 1.00 0.00 H new ATOM 0 HA TRP A 71 -0.730 7.232 5.106 1.00 0.00 H new ATOM 0 HB2 TRP A 71 1.890 6.688 5.399 1.00 0.00 H new ATOM 0 HB3 TRP A 71 2.039 8.317 4.771 1.00 0.00 H new ATOM 0 HD1 TRP A 71 1.007 6.406 7.893 1.00 0.00 H new ATOM 0 HE1 TRP A 71 0.491 8.052 9.820 1.00 0.00 H new ATOM 0 HE3 TRP A 71 1.080 10.751 5.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 0.165 10.832 10.106 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 0.655 12.874 6.380 1.00 0.00 H new ATOM 0 HH2 TRP A 71 0.206 12.911 8.799 1.00 0.00 H new ATOM 1131 N ARG A 72 0.291 8.712 2.386 1.00 0.00 N ATOM 1132 CA ARG A 72 0.049 9.848 1.505 1.00 0.00 C ATOM 1133 C ARG A 72 -1.374 9.810 0.964 1.00 0.00 C ATOM 1134 O ARG A 72 -2.048 10.837 0.879 1.00 0.00 O ATOM 1135 CB ARG A 72 1.047 9.855 0.345 1.00 0.00 C ATOM 1136 CG ARG A 72 2.316 10.642 0.638 1.00 0.00 C ATOM 1137 CD ARG A 72 2.211 12.076 0.143 1.00 0.00 C ATOM 1138 NE ARG A 72 3.100 12.332 -0.987 1.00 0.00 N ATOM 1139 CZ ARG A 72 2.942 13.338 -1.845 1.00 0.00 C ATOM 1140 NH1 ARG A 72 1.929 14.185 -1.705 1.00 0.00 N ATOM 1141 NH2 ARG A 72 3.797 13.497 -2.845 1.00 0.00 N ATOM 0 H ARG A 72 0.857 7.970 1.974 1.00 0.00 H new ATOM 0 HA ARG A 72 0.182 10.761 2.086 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.315 8.827 0.101 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.564 10.276 -0.537 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.507 10.640 1.711 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.166 10.153 0.162 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.182 12.283 -0.151 1.00 0.00 H new ATOM 0 HD3 ARG A 72 2.454 12.759 0.957 1.00 0.00 H new ATOM 0 HE ARG A 72 3.890 11.702 -1.128 1.00 0.00 H new ATOM 0 HH11 ARG A 72 1.268 14.067 -0.938 1.00 0.00 H new ATOM 0 HH12 ARG A 72 1.812 14.954 -2.365 1.00 0.00 H new ATOM 0 HH21 ARG A 72 4.576 12.849 -2.958 1.00 0.00 H new ATOM 0 HH22 ARG A 72 3.676 14.268 -3.502 1.00 0.00 H new ATOM 1155 N GLY A 73 -1.824 8.615 0.602 1.00 0.00 N ATOM 1156 CA GLY A 73 -3.167 8.455 0.073 1.00 0.00 C ATOM 1157 C GLY A 73 -4.228 8.597 1.146 1.00 0.00 C ATOM 1158 O GLY A 73 -5.355 9.003 0.865 1.00 0.00 O ATOM 0 H GLY A 73 -1.283 7.752 0.665 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.339 9.198 -0.706 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.256 7.475 -0.396 1.00 0.00 H new ATOM 1162 N THR A 74 -3.867 8.263 2.382 1.00 0.00 N ATOM 1163 CA THR A 74 -4.795 8.357 3.502 1.00 0.00 C ATOM 1164 C THR A 74 -4.927 9.798 3.980 1.00 0.00 C ATOM 1165 O THR A 74 -6.011 10.239 4.364 1.00 0.00 O ATOM 1166 CB THR A 74 -4.331 7.465 4.654 1.00 0.00 C ATOM 1167 OG1 THR A 74 -2.926 7.548 4.817 1.00 0.00 O ATOM 1168 CG2 THR A 74 -4.684 6.005 4.463 1.00 0.00 C ATOM 0 H THR A 74 -2.938 7.925 2.632 1.00 0.00 H new ATOM 0 HA THR A 74 -5.772 8.016 3.160 1.00 0.00 H new ATOM 0 HB THR A 74 -4.855 7.836 5.535 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.510 6.723 4.491 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.326 5.429 5.316 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.766 5.900 4.383 1.00 0.00 H new ATOM 0 HG23 THR A 74 -4.215 5.633 3.552 1.00 0.00 H new ATOM 1176 N LEU A 75 -3.816 10.528 3.956 1.00 0.00 N ATOM 1177 CA LEU A 75 -3.810 11.921 4.388 1.00 0.00 C ATOM 1178 C LEU A 75 -4.436 12.827 3.331 1.00 0.00 C ATOM 1179 O LEU A 75 -4.931 13.910 3.643 1.00 0.00 O ATOM 1180 CB LEU A 75 -2.381 12.377 4.688 1.00 0.00 C ATOM 1181 CG LEU A 75 -2.241 13.323 5.882 1.00 0.00 C ATOM 1182 CD1 LEU A 75 -2.935 14.646 5.599 1.00 0.00 C ATOM 1183 CD2 LEU A 75 -2.809 12.680 7.138 1.00 0.00 C ATOM 0 H LEU A 75 -2.910 10.179 3.643 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.407 11.994 5.297 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.765 11.496 4.868 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.980 12.871 3.803 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.181 13.520 6.044 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.825 15.306 6.459 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.484 15.113 4.723 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.994 14.469 5.411 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.702 13.366 7.978 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.865 12.455 6.986 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.268 11.758 7.351 1.00 0.00 H new ATOM 1195 N ARG A 76 -4.408 12.380 2.078 1.00 0.00 N ATOM 1196 CA ARG A 76 -4.973 13.154 0.978 1.00 0.00 C ATOM 1197 C ARG A 76 -4.265 14.498 0.839 1.00 0.00 C ATOM 1198 O ARG A 76 -4.790 15.533 1.247 1.00 0.00 O ATOM 1199 CB ARG A 76 -6.471 13.374 1.195 1.00 0.00 C ATOM 1200 CG ARG A 76 -7.325 12.177 0.805 1.00 0.00 C ATOM 1201 CD ARG A 76 -7.451 11.186 1.950 1.00 0.00 C ATOM 1202 NE ARG A 76 -8.191 11.744 3.079 1.00 0.00 N ATOM 1203 CZ ARG A 76 -9.520 11.821 3.129 1.00 0.00 C ATOM 1204 NH1 ARG A 76 -10.257 11.374 2.119 1.00 0.00 N ATOM 1205 NH2 ARG A 76 -10.112 12.344 4.193 1.00 0.00 N ATOM 0 H ARG A 76 -4.001 11.487 1.800 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.827 12.589 0.058 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -6.647 13.609 2.245 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -6.790 14.241 0.617 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -8.316 12.518 0.507 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -6.885 11.681 -0.060 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -7.954 10.286 1.596 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -6.457 10.886 2.281 1.00 0.00 H new ATOM 0 HE ARG A 76 -7.659 12.095 3.875 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -9.806 10.969 1.299 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -11.274 11.436 2.163 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.550 12.687 4.972 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -11.129 12.404 4.233 1.00 0.00 H new ATOM 1219 N TYR A 77 -3.069 14.473 0.258 1.00 0.00 N ATOM 1220 CA TYR A 77 -2.288 15.689 0.065 1.00 0.00 C ATOM 1221 C TYR A 77 -2.004 16.374 1.398 1.00 0.00 C ATOM 1222 O TYR A 77 -2.500 15.949 2.442 1.00 0.00 O ATOM 1223 CB TYR A 77 -3.026 16.651 -0.868 1.00 0.00 C ATOM 1224 CG TYR A 77 -2.727 16.423 -2.333 1.00 0.00 C ATOM 1225 CD1 TYR A 77 -3.362 15.412 -3.043 1.00 0.00 C ATOM 1226 CD2 TYR A 77 -1.809 17.218 -3.005 1.00 0.00 C ATOM 1227 CE1 TYR A 77 -3.091 15.200 -4.381 1.00 0.00 C ATOM 1228 CE2 TYR A 77 -1.532 17.014 -4.345 1.00 0.00 C ATOM 1229 CZ TYR A 77 -2.175 16.004 -5.028 1.00 0.00 C ATOM 1230 OH TYR A 77 -1.902 15.797 -6.361 1.00 0.00 O ATOM 0 H TYR A 77 -2.620 13.624 -0.087 1.00 0.00 H new ATOM 0 HA TYR A 77 -1.337 15.410 -0.388 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -4.099 16.550 -0.705 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -2.758 17.675 -0.606 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -4.080 14.781 -2.540 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.302 18.009 -2.473 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.594 14.409 -4.918 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -0.816 17.643 -4.853 1.00 0.00 H new ATOM 0 HH TYR A 77 -1.236 16.449 -6.664 1.00 0.00 H new ATOM 1240 N LYS A 78 -1.203 17.433 1.357 1.00 0.00 N ATOM 1241 CA LYS A 78 -0.854 18.174 2.563 1.00 0.00 C ATOM 1242 C LYS A 78 -2.078 18.873 3.144 1.00 0.00 C ATOM 1243 O LYS A 78 -2.556 18.516 4.221 1.00 0.00 O ATOM 1244 CB LYS A 78 0.239 19.201 2.259 1.00 0.00 C ATOM 1245 CG LYS A 78 1.250 19.363 3.382 1.00 0.00 C ATOM 1246 CD LYS A 78 2.091 20.617 3.200 1.00 0.00 C ATOM 1247 CE LYS A 78 1.624 21.740 4.113 1.00 0.00 C ATOM 1248 NZ LYS A 78 2.769 22.458 4.739 1.00 0.00 N ATOM 0 H LYS A 78 -0.783 17.797 0.502 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.479 17.464 3.300 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.762 18.904 1.350 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.226 20.166 2.058 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.729 19.409 4.338 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.901 18.489 3.416 1.00 0.00 H new ATOM 0 HD2 LYS A 78 3.136 20.388 3.408 1.00 0.00 H new ATOM 0 HD3 LYS A 78 2.037 20.945 2.162 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.021 22.446 3.541 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.982 21.331 4.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.409 23.216 5.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 3.330 21.790 5.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 3.368 22.870 3.996 1.00 0.00 H new ATOM 1262 N VAL A 79 -2.579 19.871 2.426 1.00 0.00 N ATOM 1263 CA VAL A 79 -3.748 20.623 2.872 1.00 0.00 C ATOM 1264 C VAL A 79 -4.418 21.341 1.704 1.00 0.00 C ATOM 1265 O VAL A 79 -4.972 22.428 1.867 1.00 0.00 O ATOM 1266 CB VAL A 79 -3.375 21.656 3.951 1.00 0.00 C ATOM 1267 CG1 VAL A 79 -3.138 20.972 5.288 1.00 0.00 C ATOM 1268 CG2 VAL A 79 -2.150 22.453 3.527 1.00 0.00 C ATOM 0 H VAL A 79 -2.195 20.179 1.533 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.444 19.901 3.299 1.00 0.00 H new ATOM 0 HB VAL A 79 -4.209 22.349 4.067 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.876 21.719 6.037 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.045 20.452 5.596 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.323 20.254 5.190 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -1.901 23.178 4.302 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.308 21.776 3.380 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.361 22.977 2.595 1.00 0.00 H new ATOM 1278 N ILE A 80 -4.363 20.725 0.528 1.00 0.00 N ATOM 1279 CA ILE A 80 -4.965 21.305 -0.667 1.00 0.00 C ATOM 1280 C ILE A 80 -5.911 20.317 -1.341 1.00 0.00 C ATOM 1281 O ILE A 80 -6.064 20.324 -2.562 1.00 0.00 O ATOM 1282 CB ILE A 80 -3.890 21.742 -1.682 1.00 0.00 C ATOM 1283 CG1 ILE A 80 -2.985 20.562 -2.045 1.00 0.00 C ATOM 1284 CG2 ILE A 80 -3.072 22.896 -1.122 1.00 0.00 C ATOM 1285 CD1 ILE A 80 -3.130 20.110 -3.481 1.00 0.00 C ATOM 0 H ILE A 80 -3.908 19.825 0.377 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.528 22.181 -0.344 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.387 22.082 -2.591 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.947 20.841 -1.863 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.210 19.725 -1.384 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.317 23.194 -1.850 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.729 23.741 -0.915 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.583 22.582 -0.200 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.460 19.271 -3.668 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.159 19.800 -3.663 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.876 20.933 -4.149 1.00 0.00 H new ATOM 1297 N GLN A 81 -6.545 19.470 -0.538 1.00 0.00 N ATOM 1298 CA GLN A 81 -7.477 18.475 -1.056 1.00 0.00 C ATOM 1299 C GLN A 81 -8.570 18.171 -0.037 1.00 0.00 C ATOM 1300 O GLN A 81 -8.286 17.837 1.114 1.00 0.00 O ATOM 1301 CB GLN A 81 -6.733 17.190 -1.423 1.00 0.00 C ATOM 1302 CG GLN A 81 -7.226 16.547 -2.709 1.00 0.00 C ATOM 1303 CD GLN A 81 -8.006 15.271 -2.462 1.00 0.00 C ATOM 1304 OE1 GLN A 81 -9.122 15.300 -1.946 1.00 0.00 O ATOM 1305 NE2 GLN A 81 -7.416 14.138 -2.830 1.00 0.00 N ATOM 0 H GLN A 81 -6.430 19.452 0.475 1.00 0.00 H new ATOM 0 HA GLN A 81 -7.944 18.884 -1.952 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -5.670 17.411 -1.521 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -6.836 16.475 -0.607 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -7.856 17.255 -3.246 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -6.373 16.328 -3.351 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -6.489 14.160 -3.255 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -7.890 13.246 -2.688 1.00 0.00 H new ATOM 1314 N GLN A 82 -9.823 18.290 -0.466 1.00 0.00 N ATOM 1315 CA GLN A 82 -10.959 18.028 0.411 1.00 0.00 C ATOM 1316 C GLN A 82 -12.254 17.931 -0.390 1.00 0.00 C ATOM 1317 O GLN A 82 -13.080 17.051 -0.150 1.00 0.00 O ATOM 1318 CB GLN A 82 -11.077 19.128 1.468 1.00 0.00 C ATOM 1319 CG GLN A 82 -11.077 18.603 2.894 1.00 0.00 C ATOM 1320 CD GLN A 82 -12.410 18.802 3.591 1.00 0.00 C ATOM 1321 OE1 GLN A 82 -13.176 19.701 3.244 1.00 0.00 O ATOM 1322 NE2 GLN A 82 -12.693 17.961 4.577 1.00 0.00 N ATOM 0 H GLN A 82 -10.077 18.566 -1.415 1.00 0.00 H new ATOM 0 HA GLN A 82 -10.791 17.073 0.909 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -10.249 19.827 1.347 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -11.996 19.689 1.296 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.831 17.541 2.886 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -10.295 19.107 3.462 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -12.028 17.230 4.831 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -13.576 18.045 5.081 1.00 0.00 H new ATOM 1331 N GLN A 83 -12.424 18.842 -1.343 1.00 0.00 N ATOM 1332 CA GLN A 83 -13.621 18.863 -2.181 1.00 0.00 C ATOM 1333 C GLN A 83 -13.874 17.495 -2.809 1.00 0.00 C ATOM 1334 O GLN A 83 -13.142 17.064 -3.699 1.00 0.00 O ATOM 1335 CB GLN A 83 -13.480 19.920 -3.277 1.00 0.00 C ATOM 1336 CG GLN A 83 -13.721 21.339 -2.789 1.00 0.00 C ATOM 1337 CD GLN A 83 -13.094 22.383 -3.693 1.00 0.00 C ATOM 1338 OE1 GLN A 83 -13.117 22.253 -4.917 1.00 0.00 O ATOM 1339 NE2 GLN A 83 -12.530 23.425 -3.093 1.00 0.00 N ATOM 0 H GLN A 83 -11.749 19.576 -1.555 1.00 0.00 H new ATOM 0 HA GLN A 83 -14.472 19.113 -1.548 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -12.479 19.857 -3.704 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -14.184 19.696 -4.079 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -14.794 21.519 -2.723 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -13.317 21.446 -1.782 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -12.534 23.491 -2.075 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -12.092 24.159 -3.650 1.00 0.00 H new ATOM 1348 N GLY A 84 -14.918 16.820 -2.339 1.00 0.00 N ATOM 1349 CA GLY A 84 -15.253 15.510 -2.864 1.00 0.00 C ATOM 1350 C GLY A 84 -16.729 15.192 -2.729 1.00 0.00 C ATOM 1351 O GLY A 84 -17.350 15.517 -1.718 1.00 0.00 O ATOM 0 H GLY A 84 -15.538 17.158 -1.603 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -14.968 15.459 -3.915 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -14.672 14.752 -2.339 1.00 0.00 H new ATOM 1355 N TYR A 85 -17.292 14.556 -3.752 1.00 0.00 N ATOM 1356 CA TYR A 85 -18.705 14.195 -3.743 1.00 0.00 C ATOM 1357 C TYR A 85 -18.881 12.683 -3.833 1.00 0.00 C ATOM 1358 O TYR A 85 -19.840 12.193 -4.429 1.00 0.00 O ATOM 1359 CB TYR A 85 -19.433 14.876 -4.904 1.00 0.00 C ATOM 1360 CG TYR A 85 -19.847 16.298 -4.606 1.00 0.00 C ATOM 1361 CD1 TYR A 85 -18.912 17.246 -4.208 1.00 0.00 C ATOM 1362 CD2 TYR A 85 -21.173 16.695 -4.721 1.00 0.00 C ATOM 1363 CE1 TYR A 85 -19.286 18.548 -3.934 1.00 0.00 C ATOM 1364 CE2 TYR A 85 -21.556 17.996 -4.449 1.00 0.00 C ATOM 1365 CZ TYR A 85 -20.609 18.918 -4.056 1.00 0.00 C ATOM 1366 OH TYR A 85 -20.986 20.213 -3.785 1.00 0.00 O ATOM 0 H TYR A 85 -16.791 14.280 -4.597 1.00 0.00 H new ATOM 0 HA TYR A 85 -19.136 14.536 -2.802 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -18.786 14.871 -5.781 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -20.319 14.294 -5.158 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -17.875 16.960 -4.111 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -21.918 15.976 -5.028 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -18.546 19.272 -3.626 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -22.591 18.288 -4.544 1.00 0.00 H new ATOM 0 HH TYR A 85 -21.952 20.308 -3.920 1.00 0.00 H new ATOM 1376 N ARG A 86 -17.950 11.947 -3.235 1.00 0.00 N ATOM 1377 CA ARG A 86 -18.004 10.490 -3.244 1.00 0.00 C ATOM 1378 C ARG A 86 -18.336 9.948 -1.857 1.00 0.00 C ATOM 1379 O ARG A 86 -19.402 9.369 -1.645 1.00 0.00 O ATOM 1380 CB ARG A 86 -16.670 9.913 -3.728 1.00 0.00 C ATOM 1381 CG ARG A 86 -16.758 9.232 -5.084 1.00 0.00 C ATOM 1382 CD ARG A 86 -15.392 8.771 -5.564 1.00 0.00 C ATOM 1383 NE ARG A 86 -15.374 8.520 -7.003 1.00 0.00 N ATOM 1384 CZ ARG A 86 -15.453 9.478 -7.924 1.00 0.00 C ATOM 1385 NH1 ARG A 86 -15.555 10.750 -7.560 1.00 0.00 N ATOM 1386 NH2 ARG A 86 -15.430 9.163 -9.213 1.00 0.00 N ATOM 0 H ARG A 86 -17.149 12.336 -2.738 1.00 0.00 H new ATOM 0 HA ARG A 86 -18.794 10.184 -3.930 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -15.934 10.716 -3.781 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -16.306 9.195 -2.993 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -17.430 8.376 -5.020 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -17.187 9.921 -5.811 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -14.647 9.528 -5.319 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -15.109 7.862 -5.034 1.00 0.00 H new ATOM 0 HE ARG A 86 -15.296 7.554 -7.321 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -15.573 10.997 -6.571 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -15.615 11.480 -8.270 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -15.352 8.187 -9.498 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -15.491 9.897 -9.919 1.00 0.00 H new ATOM 1400 N GLY A 87 -17.419 10.144 -0.916 1.00 0.00 N ATOM 1401 CA GLY A 87 -17.634 9.671 0.439 1.00 0.00 C ATOM 1402 C GLY A 87 -16.430 8.938 0.997 1.00 0.00 C ATOM 1403 O GLY A 87 -15.740 8.221 0.272 1.00 0.00 O ATOM 0 H GLY A 87 -16.531 10.622 -1.067 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -17.870 10.518 1.083 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -18.499 9.008 0.456 1.00 0.00 H new ATOM 1407 N LYS A 88 -16.175 9.119 2.289 1.00 0.00 N ATOM 1408 CA LYS A 88 -15.045 8.470 2.944 1.00 0.00 C ATOM 1409 C LYS A 88 -15.482 7.798 4.242 1.00 0.00 C ATOM 1410 O LYS A 88 -16.660 7.827 4.602 1.00 0.00 O ATOM 1411 CB LYS A 88 -13.940 9.487 3.229 1.00 0.00 C ATOM 1412 CG LYS A 88 -14.446 10.773 3.866 1.00 0.00 C ATOM 1413 CD LYS A 88 -14.240 11.970 2.950 1.00 0.00 C ATOM 1414 CE LYS A 88 -15.501 12.294 2.167 1.00 0.00 C ATOM 1415 NZ LYS A 88 -15.240 13.271 1.073 1.00 0.00 N ATOM 0 H LYS A 88 -16.736 9.710 2.903 1.00 0.00 H new ATOM 0 HA LYS A 88 -14.658 7.704 2.272 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -13.200 9.032 3.887 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -13.431 9.729 2.296 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -15.506 10.671 4.100 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -13.926 10.942 4.809 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -13.945 12.836 3.542 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -13.423 11.764 2.258 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -15.912 11.377 1.744 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -16.254 12.699 2.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -16.125 13.466 0.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -14.872 14.155 1.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -14.540 12.875 0.413 1.00 0.00 H new ATOM 1429 N ASN A 89 -14.526 7.195 4.941 1.00 0.00 N ATOM 1430 CA ASN A 89 -14.811 6.518 6.199 1.00 0.00 C ATOM 1431 C ASN A 89 -15.808 5.382 5.991 1.00 0.00 C ATOM 1432 O ASN A 89 -16.611 5.077 6.873 1.00 0.00 O ATOM 1433 CB ASN A 89 -15.359 7.511 7.225 1.00 0.00 C ATOM 1434 CG ASN A 89 -14.257 8.273 7.934 1.00 0.00 C ATOM 1435 OD1 ASN A 89 -13.095 8.225 7.533 1.00 0.00 O ATOM 1436 ND2 ASN A 89 -14.619 8.983 8.997 1.00 0.00 N ATOM 0 H ASN A 89 -13.547 7.162 4.657 1.00 0.00 H new ATOM 0 HA ASN A 89 -13.879 6.096 6.575 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -16.022 8.217 6.726 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -15.959 6.976 7.961 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -13.921 9.517 9.515 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -15.595 8.994 9.295 1.00 0.00 H new ATOM 1443 N SER A 90 -15.753 4.759 4.818 1.00 0.00 N ATOM 1444 CA SER A 90 -16.651 3.656 4.495 1.00 0.00 C ATOM 1445 C SER A 90 -15.934 2.317 4.617 1.00 0.00 C ATOM 1446 O SER A 90 -14.791 2.172 4.182 1.00 0.00 O ATOM 1447 CB SER A 90 -17.208 3.824 3.080 1.00 0.00 C ATOM 1448 OG SER A 90 -18.564 3.414 3.013 1.00 0.00 O ATOM 0 H SER A 90 -15.096 4.999 4.076 1.00 0.00 H new ATOM 0 HA SER A 90 -17.476 3.671 5.207 1.00 0.00 H new ATOM 0 HB2 SER A 90 -17.125 4.867 2.775 1.00 0.00 H new ATOM 0 HB3 SER A 90 -16.613 3.238 2.380 1.00 0.00 H new ATOM 0 HG SER A 90 -18.897 3.533 2.099 1.00 0.00 H new ATOM 1454 N VAL A 91 -16.611 1.339 5.210 1.00 0.00 N ATOM 1455 CA VAL A 91 -16.037 0.011 5.388 1.00 0.00 C ATOM 1456 C VAL A 91 -15.955 -0.736 4.062 1.00 0.00 C ATOM 1457 O VAL A 91 -16.759 -0.507 3.158 1.00 0.00 O ATOM 1458 CB VAL A 91 -16.858 -0.826 6.387 1.00 0.00 C ATOM 1459 CG1 VAL A 91 -16.802 -0.208 7.776 1.00 0.00 C ATOM 1460 CG2 VAL A 91 -18.298 -0.966 5.914 1.00 0.00 C ATOM 0 H VAL A 91 -17.558 1.442 5.575 1.00 0.00 H new ATOM 0 HA VAL A 91 -15.031 0.152 5.784 1.00 0.00 H new ATOM 0 HB VAL A 91 -16.421 -1.823 6.441 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -17.388 -0.813 8.468 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -15.767 -0.169 8.115 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -17.211 0.802 7.742 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -18.861 -1.561 6.633 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -18.750 0.022 5.827 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -18.315 -1.460 4.942 1.00 0.00 H new ATOM 1470 N ALA A 92 -14.979 -1.633 3.953 1.00 0.00 N ATOM 1471 CA ALA A 92 -14.792 -2.414 2.738 1.00 0.00 C ATOM 1472 C ALA A 92 -15.919 -3.425 2.556 1.00 0.00 C ATOM 1473 O ALA A 92 -15.961 -4.451 3.234 1.00 0.00 O ATOM 1474 CB ALA A 92 -13.446 -3.122 2.770 1.00 0.00 C ATOM 0 H ALA A 92 -14.306 -1.836 4.692 1.00 0.00 H new ATOM 0 HA ALA A 92 -14.812 -1.731 1.889 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -13.318 -3.702 1.856 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -12.648 -2.383 2.845 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -13.406 -3.788 3.632 1.00 0.00 H new ATOM 1480 N ALA A 93 -16.831 -3.128 1.636 1.00 0.00 N ATOM 1481 CA ALA A 93 -17.959 -4.010 1.363 1.00 0.00 C ATOM 1482 C ALA A 93 -18.006 -4.402 -0.110 1.00 0.00 C ATOM 1483 O ALA A 93 -17.573 -3.644 -0.978 1.00 0.00 O ATOM 1484 CB ALA A 93 -19.262 -3.342 1.776 1.00 0.00 C ATOM 0 H ALA A 93 -16.810 -2.282 1.066 1.00 0.00 H new ATOM 0 HA ALA A 93 -17.828 -4.920 1.949 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -20.096 -4.011 1.567 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -19.234 -3.119 2.843 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -19.390 -2.416 1.215 1.00 0.00 H new ATOM 1490 N ARG A 94 -18.536 -5.589 -0.384 1.00 0.00 N ATOM 1491 CA ARG A 94 -18.639 -6.082 -1.754 1.00 0.00 C ATOM 1492 C ARG A 94 -19.542 -7.307 -1.825 1.00 0.00 C ATOM 1493 O ARG A 94 -20.371 -7.429 -2.726 1.00 0.00 O ATOM 1494 CB ARG A 94 -17.252 -6.421 -2.302 1.00 0.00 C ATOM 1495 CG ARG A 94 -16.410 -7.256 -1.353 1.00 0.00 C ATOM 1496 CD ARG A 94 -14.994 -7.440 -1.877 1.00 0.00 C ATOM 1497 NE ARG A 94 -14.034 -7.661 -0.799 1.00 0.00 N ATOM 1498 CZ ARG A 94 -12.720 -7.501 -0.931 1.00 0.00 C ATOM 1499 NH1 ARG A 94 -12.205 -7.119 -2.093 1.00 0.00 N ATOM 1500 NH2 ARG A 94 -11.918 -7.724 0.101 1.00 0.00 N ATOM 0 H ARG A 94 -18.901 -6.227 0.323 1.00 0.00 H new ATOM 0 HA ARG A 94 -19.080 -5.294 -2.365 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -17.364 -6.959 -3.244 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -16.722 -5.495 -2.525 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -16.377 -6.775 -0.375 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -16.877 -8.231 -1.213 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -14.969 -8.286 -2.563 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -14.701 -6.558 -2.447 1.00 0.00 H new ATOM 0 HE ARG A 94 -14.392 -7.956 0.109 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -12.817 -6.947 -2.890 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -11.197 -6.998 -2.189 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -12.309 -8.018 0.996 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -10.910 -7.601 -0.000 1.00 0.00 H new ATOM 1514 N SER A 95 -19.376 -8.217 -0.868 1.00 0.00 N ATOM 1515 CA SER A 95 -20.177 -9.434 -0.824 1.00 0.00 C ATOM 1516 C SER A 95 -19.954 -10.278 -2.080 1.00 0.00 C ATOM 1517 O SER A 95 -20.513 -9.986 -3.137 1.00 0.00 O ATOM 1518 CB SER A 95 -21.662 -9.087 -0.688 1.00 0.00 C ATOM 1519 OG SER A 95 -22.065 -9.100 0.671 1.00 0.00 O ATOM 0 H SER A 95 -18.694 -8.133 -0.114 1.00 0.00 H new ATOM 0 HA SER A 95 -19.864 -10.014 0.044 1.00 0.00 H new ATOM 0 HB2 SER A 95 -21.850 -8.103 -1.117 1.00 0.00 H new ATOM 0 HB3 SER A 95 -22.259 -9.801 -1.255 1.00 0.00 H new ATOM 0 HG SER A 95 -23.017 -8.874 0.732 1.00 0.00 H new ATOM 1525 N PRO A 96 -19.132 -11.340 -1.983 1.00 0.00 N ATOM 1526 CA PRO A 96 -18.844 -12.218 -3.121 1.00 0.00 C ATOM 1527 C PRO A 96 -20.066 -13.022 -3.554 1.00 0.00 C ATOM 1528 O PRO A 96 -20.423 -14.017 -2.924 1.00 0.00 O ATOM 1529 CB PRO A 96 -17.752 -13.150 -2.591 1.00 0.00 C ATOM 1530 CG PRO A 96 -17.928 -13.142 -1.113 1.00 0.00 C ATOM 1531 CD PRO A 96 -18.422 -11.765 -0.763 1.00 0.00 C ATOM 0 HA PRO A 96 -18.545 -11.653 -4.004 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -17.860 -14.156 -2.997 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -16.760 -12.797 -2.873 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -18.642 -13.904 -0.801 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -16.988 -13.360 -0.607 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -19.084 -11.783 0.102 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -17.600 -11.092 -0.521 1.00 0.00 H new ATOM 1539 N GLU A 97 -20.702 -12.582 -4.635 1.00 0.00 N ATOM 1540 CA GLU A 97 -21.886 -13.261 -5.154 1.00 0.00 C ATOM 1541 C GLU A 97 -22.025 -13.036 -6.656 1.00 0.00 C ATOM 1542 O GLU A 97 -21.933 -11.908 -7.137 1.00 0.00 O ATOM 1543 CB GLU A 97 -23.140 -12.765 -4.431 1.00 0.00 C ATOM 1544 CG GLU A 97 -24.110 -13.877 -4.067 1.00 0.00 C ATOM 1545 CD GLU A 97 -25.162 -13.429 -3.070 1.00 0.00 C ATOM 1546 OE1 GLU A 97 -24.848 -13.374 -1.861 1.00 0.00 O ATOM 1547 OE2 GLU A 97 -26.297 -13.132 -3.496 1.00 0.00 O ATOM 0 H GLU A 97 -20.419 -11.760 -5.168 1.00 0.00 H new ATOM 0 HA GLU A 97 -21.772 -14.330 -4.975 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -22.843 -12.241 -3.522 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -23.652 -12.040 -5.064 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -24.601 -14.236 -4.971 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -23.554 -14.717 -3.651 1.00 0.00 H new ATOM 1554 N LYS A 98 -22.249 -14.121 -7.392 1.00 0.00 N ATOM 1555 CA LYS A 98 -22.401 -14.044 -8.841 1.00 0.00 C ATOM 1556 C LYS A 98 -23.854 -14.261 -9.252 1.00 0.00 C ATOM 1557 O LYS A 98 -24.290 -13.792 -10.302 1.00 0.00 O ATOM 1558 CB LYS A 98 -21.506 -15.079 -9.525 1.00 0.00 C ATOM 1559 CG LYS A 98 -21.882 -16.516 -9.202 1.00 0.00 C ATOM 1560 CD LYS A 98 -20.672 -17.331 -8.775 1.00 0.00 C ATOM 1561 CE LYS A 98 -20.591 -17.462 -7.263 1.00 0.00 C ATOM 1562 NZ LYS A 98 -19.981 -18.755 -6.848 1.00 0.00 N ATOM 0 H LYS A 98 -22.329 -15.063 -7.009 1.00 0.00 H new ATOM 0 HA LYS A 98 -22.099 -13.046 -9.158 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -21.555 -14.933 -10.604 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -20.472 -14.907 -9.227 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -22.627 -16.527 -8.407 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -22.341 -16.977 -10.076 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -20.724 -18.323 -9.224 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -19.764 -16.858 -9.149 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -20.004 -16.638 -6.858 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -21.591 -17.380 -6.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -19.944 -18.804 -5.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -20.555 -19.542 -7.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -19.017 -18.823 -7.232 1.00 0.00 H new ATOM 1576 N ALA A 99 -24.602 -14.977 -8.414 1.00 0.00 N ATOM 1577 CA ALA A 99 -26.007 -15.257 -8.692 1.00 0.00 C ATOM 1578 C ALA A 99 -26.158 -16.132 -9.931 1.00 0.00 C ATOM 1579 O ALA A 99 -25.898 -15.690 -11.051 1.00 0.00 O ATOM 1580 CB ALA A 99 -26.783 -13.959 -8.862 1.00 0.00 C ATOM 0 H ALA A 99 -24.258 -15.372 -7.539 1.00 0.00 H new ATOM 0 HA ALA A 99 -26.417 -15.802 -7.842 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -27.829 -14.185 -9.069 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -26.713 -13.371 -7.947 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -26.364 -13.390 -9.692 1.00 0.00 H new ATOM 1586 N SER A 100 -26.579 -17.375 -9.724 1.00 0.00 N ATOM 1587 CA SER A 100 -26.764 -18.315 -10.822 1.00 0.00 C ATOM 1588 C SER A 100 -25.446 -18.572 -11.547 1.00 0.00 C ATOM 1589 O SER A 100 -24.882 -17.673 -12.168 1.00 0.00 O ATOM 1590 CB SER A 100 -27.806 -17.781 -11.809 1.00 0.00 C ATOM 1591 OG SER A 100 -28.824 -17.061 -11.135 1.00 0.00 O ATOM 0 H SER A 100 -26.799 -17.755 -8.803 1.00 0.00 H new ATOM 0 HA SER A 100 -27.118 -19.257 -10.404 1.00 0.00 H new ATOM 0 HB2 SER A 100 -27.321 -17.134 -12.540 1.00 0.00 H new ATOM 0 HB3 SER A 100 -28.247 -18.611 -12.361 1.00 0.00 H new ATOM 0 HG SER A 100 -29.476 -16.729 -11.787 1.00 0.00 H new ATOM 1597 N ASN A 101 -24.963 -19.807 -11.462 1.00 0.00 N ATOM 1598 CA ASN A 101 -23.711 -20.184 -12.108 1.00 0.00 C ATOM 1599 C ASN A 101 -23.886 -21.459 -12.928 1.00 0.00 C ATOM 1600 O ASN A 101 -24.214 -22.516 -12.389 1.00 0.00 O ATOM 1601 CB ASN A 101 -22.613 -20.383 -11.063 1.00 0.00 C ATOM 1602 CG ASN A 101 -23.001 -21.392 -10.000 1.00 0.00 C ATOM 1603 OD1 ASN A 101 -24.129 -21.886 -9.978 1.00 0.00 O ATOM 1604 ND2 ASN A 101 -22.066 -21.706 -9.111 1.00 0.00 N ATOM 0 H ASN A 101 -25.419 -20.564 -10.952 1.00 0.00 H new ATOM 0 HA ASN A 101 -23.420 -19.377 -12.780 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -21.700 -20.714 -11.558 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -22.390 -19.427 -10.588 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -22.270 -22.380 -8.373 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -21.144 -21.273 -9.166 1.00 0.00 H new ATOM 1611 N MET A 102 -23.664 -21.350 -14.234 1.00 0.00 N ATOM 1612 CA MET A 102 -23.797 -22.494 -15.129 1.00 0.00 C ATOM 1613 C MET A 102 -22.578 -22.617 -16.038 1.00 0.00 C ATOM 1614 O MET A 102 -21.897 -23.644 -16.045 1.00 0.00 O ATOM 1615 CB MET A 102 -25.066 -22.362 -15.972 1.00 0.00 C ATOM 1616 CG MET A 102 -25.306 -23.545 -16.897 1.00 0.00 C ATOM 1617 SD MET A 102 -26.653 -23.254 -18.061 1.00 0.00 S ATOM 1618 CE MET A 102 -25.744 -23.091 -19.596 1.00 0.00 C ATOM 0 H MET A 102 -23.392 -20.482 -14.696 1.00 0.00 H new ATOM 0 HA MET A 102 -23.866 -23.396 -14.520 1.00 0.00 H new ATOM 0 HB2 MET A 102 -25.923 -22.250 -15.308 1.00 0.00 H new ATOM 0 HB3 MET A 102 -25.003 -21.452 -16.568 1.00 0.00 H new ATOM 0 HG2 MET A 102 -24.392 -23.759 -17.451 1.00 0.00 H new ATOM 0 HG3 MET A 102 -25.531 -24.428 -16.300 1.00 0.00 H new ATOM 0 HE1 MET A 102 -26.441 -22.907 -20.414 1.00 0.00 H new ATOM 0 HE2 MET A 102 -25.047 -22.257 -19.519 1.00 0.00 H new ATOM 0 HE3 MET A 102 -25.191 -24.010 -19.791 1.00 0.00 H new ATOM 1628 N GLU A 103 -22.309 -21.566 -16.804 1.00 0.00 N ATOM 1629 CA GLU A 103 -21.172 -21.556 -17.718 1.00 0.00 C ATOM 1630 C GLU A 103 -20.296 -20.330 -17.486 1.00 0.00 C ATOM 1631 O GLU A 103 -19.071 -20.429 -17.431 1.00 0.00 O ATOM 1632 CB GLU A 103 -21.656 -21.584 -19.169 1.00 0.00 C ATOM 1633 CG GLU A 103 -20.656 -22.201 -20.133 1.00 0.00 C ATOM 1634 CD GLU A 103 -21.325 -22.940 -21.275 1.00 0.00 C ATOM 1635 OE1 GLU A 103 -22.187 -22.336 -21.948 1.00 0.00 O ATOM 1636 OE2 GLU A 103 -20.987 -24.120 -21.497 1.00 0.00 O ATOM 0 H GLU A 103 -22.863 -20.709 -16.811 1.00 0.00 H new ATOM 0 HA GLU A 103 -20.576 -22.447 -17.524 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -22.590 -22.143 -19.221 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -21.876 -20.566 -19.489 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -20.016 -21.417 -20.538 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -20.010 -22.890 -19.589 1.00 0.00 H new ATOM 1643 N ASN A 104 -20.934 -19.172 -17.349 1.00 0.00 N ATOM 1644 CA ASN A 104 -20.214 -17.924 -17.123 1.00 0.00 C ATOM 1645 C ASN A 104 -19.274 -17.619 -18.286 1.00 0.00 C ATOM 1646 O ASN A 104 -18.169 -17.113 -18.088 1.00 0.00 O ATOM 1647 CB ASN A 104 -19.420 -18.000 -15.817 1.00 0.00 C ATOM 1648 CG ASN A 104 -19.304 -16.651 -15.133 1.00 0.00 C ATOM 1649 OD1 ASN A 104 -20.059 -16.343 -14.210 1.00 0.00 O ATOM 1650 ND2 ASN A 104 -18.355 -15.839 -15.582 1.00 0.00 N ATOM 0 H ASN A 104 -21.948 -19.072 -17.391 1.00 0.00 H new ATOM 0 HA ASN A 104 -20.945 -17.119 -17.050 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -19.903 -18.707 -15.142 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -18.422 -18.387 -16.023 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -18.229 -14.919 -15.160 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -17.752 -16.135 -16.349 1.00 0.00 H new ATOM 1657 N ASN A 105 -19.723 -17.929 -19.498 1.00 0.00 N ATOM 1658 CA ASN A 105 -18.923 -17.687 -20.693 1.00 0.00 C ATOM 1659 C ASN A 105 -19.817 -17.436 -21.903 1.00 0.00 C ATOM 1660 O ASN A 105 -20.293 -18.376 -22.542 1.00 0.00 O ATOM 1661 CB ASN A 105 -17.997 -18.878 -20.961 1.00 0.00 C ATOM 1662 CG ASN A 105 -16.542 -18.548 -20.695 1.00 0.00 C ATOM 1663 OD1 ASN A 105 -16.225 -17.753 -19.810 1.00 0.00 O ATOM 1664 ND2 ASN A 105 -15.646 -19.159 -21.464 1.00 0.00 N ATOM 0 H ASN A 105 -20.635 -18.348 -19.678 1.00 0.00 H new ATOM 0 HA ASN A 105 -18.317 -16.797 -20.523 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -18.297 -19.717 -20.333 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -18.111 -19.198 -21.997 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -14.651 -18.976 -21.332 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -15.953 -19.811 -22.186 1.00 0.00 H new ATOM 1671 N GLU A 106 -20.040 -16.163 -22.214 1.00 0.00 N ATOM 1672 CA GLU A 106 -20.876 -15.788 -23.349 1.00 0.00 C ATOM 1673 C GLU A 106 -20.254 -14.631 -24.123 1.00 0.00 C ATOM 1674 O GLU A 106 -20.386 -13.476 -23.667 1.00 0.00 O ATOM 1675 CB GLU A 106 -22.278 -15.406 -22.871 1.00 0.00 C ATOM 1676 CG GLU A 106 -23.285 -16.541 -22.966 1.00 0.00 C ATOM 1677 CD GLU A 106 -23.481 -17.260 -21.647 1.00 0.00 C ATOM 1678 OE1 GLU A 106 -23.736 -16.580 -20.632 1.00 0.00 O ATOM 1679 OE2 GLU A 106 -23.378 -18.505 -21.628 1.00 0.00 O ATOM 1680 OXT GLU A 106 -19.639 -14.888 -25.179 1.00 0.00 O ATOM 0 H GLU A 106 -19.654 -15.374 -21.696 1.00 0.00 H new ATOM 0 HA GLU A 106 -20.950 -16.647 -24.016 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -22.220 -15.069 -21.836 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -22.637 -14.563 -23.462 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -24.242 -16.145 -23.305 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -22.951 -17.255 -23.719 1.00 0.00 H new TER 1687 GLU A 106