USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 712 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 145:sc= -0.777 (180deg=-3.61!) USER MOD Single : A 3 HIS : no HD1:sc= -0.0433 X(o=-0.043,f=-0.51) USER MOD Single : A 4 LYS NZ :NH3+ -163:sc= -0.013 (180deg=-0.37) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.0875 X(o=-0.087,f=-0.12) USER MOD Single : A 10 GLN : amide:sc= -0.161 X(o=-0.16,f=0) USER MOD Single : A 12 MET CE :methyl -173:sc= -0.104 (180deg=-0.163) USER MOD Single : A 14 THR OG1 : rot 78:sc= 0.891 USER MOD Single : A 15 SER OG : rot 85:sc= 1.26 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= -0.0522 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -1.87! K(o=-1.9!,f=-3) USER MOD Single : A 42 SER OG : rot -66:sc= 0.225 USER MOD Single : A 47 ASN : amide:sc= -1.58! C(o=-1.6!,f=-3.5!) USER MOD Single : A 50 HIS : no HD1:sc= -1.38 K(o=-1.4,f=-2.3) USER MOD Single : A 54 SER OG : rot -70:sc= 1.18 USER MOD Single : A 55 GLN : amide:sc= -0.296 K(o=-0.3,f=-0.99) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 159:sc= -0.0749 (180deg=-0.567) USER MOD Single : A 59 LYS NZ :NH3+ 165:sc=-0.00271 (180deg=-0.244) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -3.06! C(o=-3.1!,f=-4.2!) USER MOD Single : A 68 SER OG : rot -120:sc= -1.89 USER MOD Single : A 70 ASN :FLIP amide:sc= -2.98! F(o=-3.5,f=-3!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= -0.0386 X(o=-0.039,f=-0.055) USER MOD Single : A 76 SER OG : rot 180:sc=-0.00352 USER MOD Single : A 82 HIS :FLIP no HD1:sc= -2.85! C(o=-3.5!,f=-2.9!) USER MOD Single : A 87 HIS : no HE2:sc= -1.05! C(o=-1.1!,f=-9.9!) USER MOD Single : A 88 HIS : no HD1:sc= -3.22! C(o=-3.2!,f=-5.5!) USER MOD Single : A 89 HIS : no HE2:sc= -0.613 K(o=-0.61,f=-2.3!) USER MOD Single : A 90 HIS : no HD1:sc=-0.00117 X(o=-0.0012,f=-0.26) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 92 HIS : no HD1:sc= -0.229 K(o=-0.23,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.204 -5.209 22.377 1.00 0.00 N ATOM 2 CA MET A 1 -5.851 -6.302 21.596 1.00 0.00 C ATOM 3 C MET A 1 -5.486 -6.140 20.113 1.00 0.00 C ATOM 4 O MET A 1 -6.354 -6.044 19.270 1.00 0.00 O ATOM 5 CB MET A 1 -7.379 -6.217 21.756 1.00 0.00 C ATOM 6 CG MET A 1 -7.789 -6.639 23.171 1.00 0.00 C ATOM 7 SD MET A 1 -7.182 -5.428 24.372 1.00 0.00 S ATOM 8 CE MET A 1 -7.252 -6.498 25.829 1.00 0.00 C ATOM 0 H1 MET A 1 -5.829 -4.923 23.158 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.299 -5.547 22.763 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.032 -4.393 21.755 1.00 0.00 H new ATOM 0 HA MET A 1 -5.503 -7.268 21.961 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.716 -5.199 21.561 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.865 -6.860 21.022 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.874 -6.718 23.237 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.384 -7.625 23.398 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.914 -5.943 26.704 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.277 -6.833 25.986 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.607 -7.363 25.676 1.00 0.00 H new ATOM 20 N PRO A 2 -4.214 -6.111 19.789 1.00 0.00 N ATOM 21 CA PRO A 2 -3.755 -5.955 18.371 1.00 0.00 C ATOM 22 C PRO A 2 -4.126 -7.172 17.507 1.00 0.00 C ATOM 23 O PRO A 2 -4.204 -8.289 17.983 1.00 0.00 O ATOM 24 CB PRO A 2 -2.224 -5.797 18.508 1.00 0.00 C ATOM 25 CG PRO A 2 -1.895 -6.521 19.775 1.00 0.00 C ATOM 26 CD PRO A 2 -3.067 -6.228 20.717 1.00 0.00 C ATOM 0 HA PRO A 2 -4.227 -5.111 17.868 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -1.701 -6.229 17.655 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -1.935 -4.747 18.562 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -1.787 -7.592 19.601 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -0.953 -6.170 20.197 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -3.213 -7.029 21.442 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -2.910 -5.310 21.284 1.00 0.00 H new ATOM 34 N HIS A 3 -4.355 -6.957 16.236 1.00 0.00 N ATOM 35 CA HIS A 3 -4.720 -8.083 15.317 1.00 0.00 C ATOM 36 C HIS A 3 -4.220 -7.760 13.907 1.00 0.00 C ATOM 37 O HIS A 3 -4.191 -6.617 13.497 1.00 0.00 O ATOM 38 CB HIS A 3 -6.239 -8.244 15.295 1.00 0.00 C ATOM 39 CG HIS A 3 -6.873 -6.933 14.922 1.00 0.00 C ATOM 40 ND1 HIS A 3 -7.160 -6.600 13.608 1.00 0.00 N ATOM 41 CD2 HIS A 3 -7.278 -5.862 15.678 1.00 0.00 C ATOM 42 CE1 HIS A 3 -7.715 -5.376 13.612 1.00 0.00 C ATOM 43 NE2 HIS A 3 -7.811 -4.879 14.848 1.00 0.00 N ATOM 0 H HIS A 3 -4.305 -6.041 15.790 1.00 0.00 H new ATOM 0 HA HIS A 3 -4.262 -9.009 15.665 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -6.524 -9.015 14.579 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -6.596 -8.568 16.272 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -7.196 -5.792 16.753 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -8.044 -4.857 12.724 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -8.193 -3.974 15.124 1.00 0.00 H new ATOM 51 N LYS A 4 -3.821 -8.760 13.159 1.00 0.00 N ATOM 52 CA LYS A 4 -3.315 -8.514 11.772 1.00 0.00 C ATOM 53 C LYS A 4 -4.496 -8.390 10.803 1.00 0.00 C ATOM 54 O LYS A 4 -4.932 -7.303 10.482 1.00 0.00 O ATOM 55 CB LYS A 4 -2.427 -9.690 11.351 1.00 0.00 C ATOM 56 CG LYS A 4 -1.155 -9.700 12.204 1.00 0.00 C ATOM 57 CD LYS A 4 -0.283 -10.899 11.824 1.00 0.00 C ATOM 58 CE LYS A 4 0.955 -10.932 12.722 1.00 0.00 C ATOM 59 NZ LYS A 4 1.812 -9.750 12.430 1.00 0.00 N ATOM 0 H LYS A 4 -3.824 -9.738 13.450 1.00 0.00 H new ATOM 0 HA LYS A 4 -2.739 -7.589 11.751 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.967 -10.629 11.473 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.169 -9.605 10.295 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.600 -8.774 12.056 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -1.416 -9.749 13.261 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -0.850 -11.824 11.933 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.015 -10.829 10.778 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.657 -10.928 13.770 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.515 -11.852 12.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.766 -9.910 12.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.870 -9.609 11.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.400 -8.904 12.873 1.00 0.00 H new ATOM 73 N GLU A 5 -5.014 -9.498 10.337 1.00 0.00 N ATOM 74 CA GLU A 5 -6.166 -9.452 9.386 1.00 0.00 C ATOM 75 C GLU A 5 -6.702 -10.873 9.179 1.00 0.00 C ATOM 76 O GLU A 5 -5.960 -11.835 9.196 1.00 0.00 O ATOM 77 CB GLU A 5 -5.697 -8.879 8.037 1.00 0.00 C ATOM 78 CG GLU A 5 -6.894 -8.653 7.098 1.00 0.00 C ATOM 79 CD GLU A 5 -7.764 -7.509 7.628 1.00 0.00 C ATOM 80 OE1 GLU A 5 -7.261 -6.719 8.412 1.00 0.00 O ATOM 81 OE2 GLU A 5 -8.919 -7.442 7.241 1.00 0.00 O ATOM 0 H GLU A 5 -4.688 -10.435 10.575 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.953 -8.817 9.793 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.172 -7.937 8.199 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.988 -9.564 7.572 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.540 -8.418 6.094 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.485 -9.566 7.022 1.00 0.00 H new ATOM 88 N LYS A 6 -7.985 -11.006 8.987 1.00 0.00 N ATOM 89 CA LYS A 6 -8.577 -12.358 8.781 1.00 0.00 C ATOM 90 C LYS A 6 -8.043 -12.965 7.483 1.00 0.00 C ATOM 91 O LYS A 6 -7.179 -13.818 7.495 1.00 0.00 O ATOM 92 CB LYS A 6 -10.104 -12.232 8.706 1.00 0.00 C ATOM 93 CG LYS A 6 -10.743 -13.621 8.600 1.00 0.00 C ATOM 94 CD LYS A 6 -12.266 -13.484 8.593 1.00 0.00 C ATOM 95 CE LYS A 6 -12.902 -14.876 8.502 1.00 0.00 C ATOM 96 NZ LYS A 6 -14.387 -14.751 8.502 1.00 0.00 N ATOM 0 H LYS A 6 -8.651 -10.234 8.964 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.304 -13.007 9.613 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.478 -11.718 9.591 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.385 -11.627 7.844 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.408 -14.118 7.690 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.427 -14.243 9.438 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.601 -12.978 9.498 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.583 -12.871 7.749 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -12.570 -15.379 7.594 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.579 -15.490 9.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -14.815 -15.697 8.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -14.696 -14.288 9.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -14.687 -14.181 7.686 1.00 0.00 H new ATOM 110 N HIS A 7 -8.565 -12.544 6.361 1.00 0.00 N ATOM 111 CA HIS A 7 -8.109 -13.112 5.056 1.00 0.00 C ATOM 112 C HIS A 7 -6.562 -13.080 4.968 1.00 0.00 C ATOM 113 O HIS A 7 -5.942 -12.208 5.545 1.00 0.00 O ATOM 114 CB HIS A 7 -8.704 -12.276 3.920 1.00 0.00 C ATOM 115 CG HIS A 7 -10.206 -12.304 4.023 1.00 0.00 C ATOM 116 ND1 HIS A 7 -10.922 -13.490 4.025 1.00 0.00 N ATOM 117 CD2 HIS A 7 -11.138 -11.303 4.140 1.00 0.00 C ATOM 118 CE1 HIS A 7 -12.226 -13.176 4.140 1.00 0.00 C ATOM 119 NE2 HIS A 7 -12.413 -11.856 4.213 1.00 0.00 N ATOM 0 H HIS A 7 -9.289 -11.829 6.291 1.00 0.00 H new ATOM 0 HA HIS A 7 -8.442 -14.147 4.975 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -8.342 -11.250 3.979 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -8.386 -12.671 2.955 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -10.916 -10.247 4.171 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -13.024 -13.903 4.170 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -13.300 -11.360 4.303 1.00 0.00 H new ATOM 127 N PRO A 8 -5.928 -13.998 4.252 1.00 0.00 N ATOM 128 CA PRO A 8 -4.435 -13.997 4.127 1.00 0.00 C ATOM 129 C PRO A 8 -3.886 -12.612 3.740 1.00 0.00 C ATOM 130 O PRO A 8 -4.392 -11.958 2.850 1.00 0.00 O ATOM 131 CB PRO A 8 -4.148 -15.025 3.005 1.00 0.00 C ATOM 132 CG PRO A 8 -5.345 -15.937 2.978 1.00 0.00 C ATOM 133 CD PRO A 8 -6.543 -15.126 3.510 1.00 0.00 C ATOM 0 HA PRO A 8 -3.953 -14.246 5.073 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.011 -14.529 2.044 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.234 -15.583 3.209 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.538 -16.290 1.965 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -5.172 -16.819 3.595 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.173 -14.769 2.696 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.175 -15.731 4.160 1.00 0.00 H new ATOM 141 N LEU A 9 -2.847 -12.174 4.397 1.00 0.00 N ATOM 142 CA LEU A 9 -2.253 -10.848 4.068 1.00 0.00 C ATOM 143 C LEU A 9 -1.691 -10.893 2.642 1.00 0.00 C ATOM 144 O LEU A 9 -1.827 -9.956 1.881 1.00 0.00 O ATOM 145 CB LEU A 9 -1.116 -10.531 5.067 1.00 0.00 C ATOM 146 CG LEU A 9 -1.689 -9.982 6.383 1.00 0.00 C ATOM 147 CD1 LEU A 9 -2.610 -11.025 7.036 1.00 0.00 C ATOM 148 CD2 LEU A 9 -0.528 -9.655 7.327 1.00 0.00 C ATOM 0 H LEU A 9 -2.382 -12.680 5.151 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.016 -10.073 4.136 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.537 -11.433 5.265 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.433 -9.803 4.630 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.271 -9.083 6.181 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.010 -10.625 7.968 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.432 -11.259 6.359 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.042 -11.932 7.245 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.921 -9.264 8.265 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.047 -10.560 7.523 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.117 -8.908 6.865 1.00 0.00 H new ATOM 160 N GLN A 10 -1.051 -11.975 2.280 1.00 0.00 N ATOM 161 CA GLN A 10 -0.467 -12.072 0.912 1.00 0.00 C ATOM 162 C GLN A 10 -1.560 -11.846 -0.136 1.00 0.00 C ATOM 163 O GLN A 10 -1.398 -11.069 -1.057 1.00 0.00 O ATOM 164 CB GLN A 10 0.154 -13.464 0.727 1.00 0.00 C ATOM 165 CG GLN A 10 0.828 -13.564 -0.646 1.00 0.00 C ATOM 166 CD GLN A 10 1.533 -14.915 -0.777 1.00 0.00 C ATOM 167 OE1 GLN A 10 0.905 -15.952 -0.720 1.00 0.00 O ATOM 168 NE2 GLN A 10 2.826 -14.944 -0.954 1.00 0.00 N ATOM 0 H GLN A 10 -0.909 -12.793 2.872 1.00 0.00 H new ATOM 0 HA GLN A 10 0.303 -11.310 0.788 1.00 0.00 H new ATOM 0 HB2 GLN A 10 0.885 -13.652 1.514 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.617 -14.229 0.819 1.00 0.00 H new ATOM 0 HG2 GLN A 10 0.085 -13.453 -1.436 1.00 0.00 H new ATOM 0 HG3 GLN A 10 1.547 -12.754 -0.769 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.354 -14.073 -1.002 1.00 0.00 H new ATOM 0 HE22 GLN A 10 3.308 -15.838 -1.044 1.00 0.00 H new ATOM 177 N ASP A 11 -2.673 -12.508 0.000 1.00 0.00 N ATOM 178 CA ASP A 11 -3.772 -12.319 -0.985 1.00 0.00 C ATOM 179 C ASP A 11 -4.296 -10.883 -0.896 1.00 0.00 C ATOM 180 O ASP A 11 -4.616 -10.266 -1.894 1.00 0.00 O ATOM 181 CB ASP A 11 -4.911 -13.301 -0.677 1.00 0.00 C ATOM 182 CG ASP A 11 -4.470 -14.732 -1.010 1.00 0.00 C ATOM 183 OD1 ASP A 11 -3.474 -14.884 -1.700 1.00 0.00 O ATOM 184 OD2 ASP A 11 -5.138 -15.653 -0.568 1.00 0.00 O ATOM 0 H ASP A 11 -2.869 -13.171 0.750 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.395 -12.506 -1.990 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.188 -13.232 0.375 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.796 -13.039 -1.258 1.00 0.00 H new ATOM 189 N MET A 12 -4.397 -10.346 0.293 1.00 0.00 N ATOM 190 CA MET A 12 -4.913 -8.954 0.446 1.00 0.00 C ATOM 191 C MET A 12 -3.979 -7.961 -0.255 1.00 0.00 C ATOM 192 O MET A 12 -4.406 -7.167 -1.070 1.00 0.00 O ATOM 193 CB MET A 12 -4.991 -8.619 1.940 1.00 0.00 C ATOM 194 CG MET A 12 -5.708 -7.280 2.143 1.00 0.00 C ATOM 195 SD MET A 12 -5.784 -6.907 3.918 1.00 0.00 S ATOM 196 CE MET A 12 -7.412 -6.117 3.951 1.00 0.00 C ATOM 0 H MET A 12 -4.144 -10.812 1.164 1.00 0.00 H new ATOM 0 HA MET A 12 -5.902 -8.881 -0.007 1.00 0.00 H new ATOM 0 HB2 MET A 12 -5.523 -9.409 2.470 1.00 0.00 H new ATOM 0 HB3 MET A 12 -3.987 -8.571 2.363 1.00 0.00 H new ATOM 0 HG2 MET A 12 -5.179 -6.487 1.615 1.00 0.00 H new ATOM 0 HG3 MET A 12 -6.714 -7.325 1.725 1.00 0.00 H new ATOM 0 HE1 MET A 12 -7.594 -5.700 4.942 1.00 0.00 H new ATOM 0 HE2 MET A 12 -7.444 -5.318 3.210 1.00 0.00 H new ATOM 0 HE3 MET A 12 -8.180 -6.856 3.721 1.00 0.00 H new ATOM 206 N PHE A 13 -2.706 -7.993 0.050 1.00 0.00 N ATOM 207 CA PHE A 13 -1.760 -7.044 -0.611 1.00 0.00 C ATOM 208 C PHE A 13 -1.593 -7.422 -2.084 1.00 0.00 C ATOM 209 O PHE A 13 -1.554 -6.571 -2.949 1.00 0.00 O ATOM 210 CB PHE A 13 -0.394 -7.092 0.094 1.00 0.00 C ATOM 211 CG PHE A 13 -0.506 -6.482 1.484 1.00 0.00 C ATOM 212 CD1 PHE A 13 -0.742 -5.108 1.617 1.00 0.00 C ATOM 213 CD2 PHE A 13 -0.368 -7.280 2.634 1.00 0.00 C ATOM 214 CE1 PHE A 13 -0.841 -4.533 2.888 1.00 0.00 C ATOM 215 CE2 PHE A 13 -0.469 -6.701 3.904 1.00 0.00 C ATOM 216 CZ PHE A 13 -0.707 -5.328 4.031 1.00 0.00 C ATOM 0 H PHE A 13 -2.283 -8.631 0.724 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.163 -6.034 -0.542 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.049 -8.123 0.167 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.347 -6.549 -0.492 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -0.848 -4.491 0.737 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.184 -8.340 2.537 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.021 -3.473 2.987 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.363 -7.314 4.787 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.787 -4.882 5.011 1.00 0.00 H new ATOM 226 N THR A 14 -1.482 -8.687 -2.379 1.00 0.00 N ATOM 227 CA THR A 14 -1.301 -9.103 -3.798 1.00 0.00 C ATOM 228 C THR A 14 -2.526 -8.692 -4.621 1.00 0.00 C ATOM 229 O THR A 14 -2.404 -8.131 -5.692 1.00 0.00 O ATOM 230 CB THR A 14 -1.138 -10.627 -3.862 1.00 0.00 C ATOM 231 OG1 THR A 14 0.005 -11.010 -3.108 1.00 0.00 O ATOM 232 CG2 THR A 14 -0.953 -11.078 -5.319 1.00 0.00 C ATOM 0 H THR A 14 -1.509 -9.449 -1.701 1.00 0.00 H new ATOM 0 HA THR A 14 -0.414 -8.618 -4.205 1.00 0.00 H new ATOM 0 HB THR A 14 -2.031 -11.097 -3.451 1.00 0.00 H new ATOM 0 HG1 THR A 14 -0.214 -10.997 -2.153 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.838 -12.161 -5.353 1.00 0.00 H new ATOM 0 HG22 THR A 14 -1.826 -10.787 -5.904 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.063 -10.606 -5.736 1.00 0.00 H new ATOM 240 N SER A 15 -3.702 -8.973 -4.134 1.00 0.00 N ATOM 241 CA SER A 15 -4.926 -8.607 -4.898 1.00 0.00 C ATOM 242 C SER A 15 -5.008 -7.089 -5.069 1.00 0.00 C ATOM 243 O SER A 15 -5.317 -6.593 -6.135 1.00 0.00 O ATOM 244 CB SER A 15 -6.160 -9.095 -4.144 1.00 0.00 C ATOM 245 OG SER A 15 -6.087 -10.508 -3.988 1.00 0.00 O ATOM 0 H SER A 15 -3.868 -9.439 -3.242 1.00 0.00 H new ATOM 0 HA SER A 15 -4.882 -9.075 -5.881 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.219 -8.612 -3.168 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.064 -8.824 -4.689 1.00 0.00 H new ATOM 0 HG SER A 15 -5.554 -10.722 -3.194 1.00 0.00 H new ATOM 251 N ALA A 16 -4.746 -6.342 -4.028 1.00 0.00 N ATOM 252 CA ALA A 16 -4.823 -4.857 -4.137 1.00 0.00 C ATOM 253 C ALA A 16 -3.660 -4.319 -4.972 1.00 0.00 C ATOM 254 O ALA A 16 -3.846 -3.519 -5.858 1.00 0.00 O ATOM 255 CB ALA A 16 -4.768 -4.246 -2.737 1.00 0.00 C ATOM 0 H ALA A 16 -4.482 -6.697 -3.109 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.759 -4.587 -4.626 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.824 -3.160 -2.812 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.608 -4.613 -2.147 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.833 -4.529 -2.253 1.00 0.00 H new ATOM 261 N ILE A 17 -2.461 -4.744 -4.692 1.00 0.00 N ATOM 262 CA ILE A 17 -1.293 -4.230 -5.465 1.00 0.00 C ATOM 263 C ILE A 17 -1.439 -4.631 -6.939 1.00 0.00 C ATOM 264 O ILE A 17 -1.207 -3.839 -7.832 1.00 0.00 O ATOM 265 CB ILE A 17 -0.002 -4.833 -4.875 1.00 0.00 C ATOM 266 CG1 ILE A 17 0.218 -4.272 -3.453 1.00 0.00 C ATOM 267 CG2 ILE A 17 1.209 -4.473 -5.762 1.00 0.00 C ATOM 268 CD1 ILE A 17 1.306 -5.079 -2.735 1.00 0.00 C ATOM 0 H ILE A 17 -2.237 -5.423 -3.964 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.248 -3.143 -5.400 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.101 -5.918 -4.835 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.508 -3.223 -3.508 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.713 -4.316 -2.887 1.00 0.00 H new ATOM 0 HG21 ILE A 17 2.114 -4.905 -5.335 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.056 -4.871 -6.765 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.313 -3.389 -5.813 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.455 -4.677 -1.733 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.999 -6.123 -2.666 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.238 -5.012 -3.295 1.00 0.00 H new ATOM 280 N GLU A 18 -1.815 -5.850 -7.200 1.00 0.00 N ATOM 281 CA GLU A 18 -1.964 -6.296 -8.612 1.00 0.00 C ATOM 282 C GLU A 18 -3.117 -5.540 -9.282 1.00 0.00 C ATOM 283 O GLU A 18 -3.068 -5.233 -10.457 1.00 0.00 O ATOM 284 CB GLU A 18 -2.248 -7.801 -8.635 1.00 0.00 C ATOM 285 CG GLU A 18 -2.232 -8.310 -10.077 1.00 0.00 C ATOM 286 CD GLU A 18 -2.433 -9.828 -10.079 1.00 0.00 C ATOM 287 OE1 GLU A 18 -3.334 -10.285 -9.395 1.00 0.00 O ATOM 288 OE2 GLU A 18 -1.681 -10.505 -10.760 1.00 0.00 O ATOM 0 H GLU A 18 -2.026 -6.558 -6.496 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.044 -6.088 -9.158 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.500 -8.330 -8.045 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.217 -8.004 -8.179 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.020 -7.826 -10.654 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.285 -8.056 -10.554 1.00 0.00 H new ATOM 295 N ALA A 19 -4.158 -5.246 -8.552 1.00 0.00 N ATOM 296 CA ALA A 19 -5.314 -4.521 -9.155 1.00 0.00 C ATOM 297 C ALA A 19 -4.891 -3.125 -9.622 1.00 0.00 C ATOM 298 O ALA A 19 -5.039 -2.786 -10.780 1.00 0.00 O ATOM 299 CB ALA A 19 -6.421 -4.381 -8.112 1.00 0.00 C ATOM 0 H ALA A 19 -4.259 -5.476 -7.563 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.672 -5.089 -10.014 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.268 -3.852 -8.549 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.741 -5.371 -7.786 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.045 -3.821 -7.256 1.00 0.00 H new ATOM 305 N VAL A 20 -4.377 -2.306 -8.730 1.00 0.00 N ATOM 306 CA VAL A 20 -3.952 -0.914 -9.115 1.00 0.00 C ATOM 307 C VAL A 20 -2.447 -0.882 -9.391 1.00 0.00 C ATOM 308 O VAL A 20 -1.807 0.134 -9.227 1.00 0.00 O ATOM 309 CB VAL A 20 -4.289 0.072 -7.975 1.00 0.00 C ATOM 310 CG1 VAL A 20 -5.808 0.265 -7.894 1.00 0.00 C ATOM 311 CG2 VAL A 20 -3.774 -0.467 -6.633 1.00 0.00 C ATOM 0 H VAL A 20 -4.232 -2.541 -7.748 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.488 -0.620 -10.017 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.806 1.027 -8.184 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.044 0.961 -7.089 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.175 0.665 -8.839 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.287 -0.694 -7.696 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.019 0.239 -5.839 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.244 -1.428 -6.422 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.693 -0.595 -6.683 1.00 0.00 H new ATOM 321 N ALA A 21 -1.872 -1.978 -9.797 1.00 0.00 N ATOM 322 CA ALA A 21 -0.405 -1.993 -10.074 1.00 0.00 C ATOM 323 C ALA A 21 -0.047 -0.892 -11.099 1.00 0.00 C ATOM 324 O ALA A 21 1.027 -0.329 -11.052 1.00 0.00 O ATOM 325 CB ALA A 21 -0.025 -3.385 -10.629 1.00 0.00 C ATOM 0 H ALA A 21 -2.352 -2.865 -9.950 1.00 0.00 H new ATOM 0 HA ALA A 21 0.149 -1.797 -9.156 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.045 -3.414 -10.837 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.272 -4.150 -9.893 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.579 -3.574 -11.549 1.00 0.00 H new ATOM 331 N ARG A 22 -0.927 -0.590 -12.022 1.00 0.00 N ATOM 332 CA ARG A 22 -0.629 0.464 -13.057 1.00 0.00 C ATOM 333 C ARG A 22 0.759 0.217 -13.680 1.00 0.00 C ATOM 334 O ARG A 22 0.904 -0.532 -14.626 1.00 0.00 O ATOM 335 CB ARG A 22 -0.628 1.873 -12.427 1.00 0.00 C ATOM 336 CG ARG A 22 -1.996 2.238 -11.838 1.00 0.00 C ATOM 337 CD ARG A 22 -1.869 3.642 -11.208 1.00 0.00 C ATOM 338 NE ARG A 22 -3.139 4.210 -10.601 1.00 0.00 N ATOM 339 CZ ARG A 22 -4.024 3.493 -9.933 1.00 0.00 C ATOM 340 NH1 ARG A 22 -4.258 2.239 -10.190 1.00 0.00 N ATOM 341 NH2 ARG A 22 -4.807 4.110 -9.092 1.00 0.00 N ATOM 0 H ARG A 22 -1.845 -1.027 -12.108 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.406 0.405 -13.820 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.128 1.920 -11.644 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -0.350 2.608 -13.182 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.761 2.234 -12.614 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.298 1.507 -11.088 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.104 3.604 -10.433 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.514 4.332 -11.973 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.320 5.207 -10.716 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.747 1.767 -10.936 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.952 1.728 -9.645 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.725 5.119 -8.965 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.501 3.584 -8.561 1.00 0.00 H new ATOM 355 N ASP A 23 1.769 0.863 -13.167 1.00 0.00 N ATOM 356 CA ASP A 23 3.142 0.707 -13.724 1.00 0.00 C ATOM 357 C ASP A 23 3.636 -0.736 -13.583 1.00 0.00 C ATOM 358 O ASP A 23 4.055 -1.347 -14.546 1.00 0.00 O ATOM 359 CB ASP A 23 4.073 1.629 -12.941 1.00 0.00 C ATOM 360 CG ASP A 23 5.495 1.553 -13.502 1.00 0.00 C ATOM 361 OD1 ASP A 23 5.728 0.742 -14.382 1.00 0.00 O ATOM 362 OD2 ASP A 23 6.332 2.308 -13.031 1.00 0.00 O ATOM 0 H ASP A 23 1.700 1.501 -12.374 1.00 0.00 H new ATOM 0 HA ASP A 23 3.130 0.960 -14.784 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.709 2.655 -12.994 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.075 1.346 -11.888 1.00 0.00 H new ATOM 367 N SER A 24 3.597 -1.286 -12.395 1.00 0.00 N ATOM 368 CA SER A 24 4.079 -2.688 -12.207 1.00 0.00 C ATOM 369 C SER A 24 3.733 -3.163 -10.798 1.00 0.00 C ATOM 370 O SER A 24 2.871 -2.616 -10.141 1.00 0.00 O ATOM 371 CB SER A 24 5.597 -2.739 -12.399 1.00 0.00 C ATOM 372 OG SER A 24 6.222 -1.898 -11.439 1.00 0.00 O ATOM 0 H SER A 24 3.254 -0.827 -11.551 1.00 0.00 H new ATOM 0 HA SER A 24 3.597 -3.335 -12.939 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.954 -3.763 -12.289 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.858 -2.416 -13.407 1.00 0.00 H new ATOM 0 HG SER A 24 7.194 -1.931 -11.559 1.00 0.00 H new ATOM 378 N GLY A 25 4.402 -4.180 -10.325 1.00 0.00 N ATOM 379 CA GLY A 25 4.117 -4.701 -8.956 1.00 0.00 C ATOM 380 C GLY A 25 4.120 -3.551 -7.944 1.00 0.00 C ATOM 381 O GLY A 25 3.603 -3.676 -6.853 1.00 0.00 O ATOM 0 H GLY A 25 5.137 -4.675 -10.830 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.150 -5.204 -8.944 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.866 -5.443 -8.678 1.00 0.00 H new ATOM 385 N TRP A 26 4.693 -2.427 -8.298 1.00 0.00 N ATOM 386 CA TRP A 26 4.721 -1.267 -7.355 1.00 0.00 C ATOM 387 C TRP A 26 3.390 -0.518 -7.448 1.00 0.00 C ATOM 388 O TRP A 26 2.870 -0.294 -8.523 1.00 0.00 O ATOM 389 CB TRP A 26 5.854 -0.314 -7.750 1.00 0.00 C ATOM 390 CG TRP A 26 7.175 -0.993 -7.560 1.00 0.00 C ATOM 391 CD1 TRP A 26 7.977 -1.433 -8.560 1.00 0.00 C ATOM 392 CD2 TRP A 26 7.860 -1.318 -6.316 1.00 0.00 C ATOM 393 NE1 TRP A 26 9.109 -2.000 -8.008 1.00 0.00 N ATOM 394 CE2 TRP A 26 9.084 -1.955 -6.629 1.00 0.00 C ATOM 395 CE3 TRP A 26 7.542 -1.121 -4.959 1.00 0.00 C ATOM 396 CZ2 TRP A 26 9.961 -2.383 -5.631 1.00 0.00 C ATOM 397 CZ3 TRP A 26 8.424 -1.555 -3.952 1.00 0.00 C ATOM 398 CH2 TRP A 26 9.630 -2.183 -4.289 1.00 0.00 C ATOM 0 H TRP A 26 5.142 -2.263 -9.199 1.00 0.00 H new ATOM 0 HA TRP A 26 4.881 -1.626 -6.338 1.00 0.00 H new ATOM 0 HB2 TRP A 26 5.738 -0.007 -8.790 1.00 0.00 H new ATOM 0 HB3 TRP A 26 5.809 0.591 -7.144 1.00 0.00 H new ATOM 0 HD1 TRP A 26 7.765 -1.353 -9.616 1.00 0.00 H new ATOM 0 HE1 TRP A 26 9.871 -2.403 -8.553 1.00 0.00 H new ATOM 0 HE3 TRP A 26 6.616 -0.634 -4.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 10.890 -2.866 -5.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.170 -1.403 -2.913 1.00 0.00 H new ATOM 0 HH2 TRP A 26 10.303 -2.512 -3.512 1.00 0.00 H new ATOM 409 N ALA A 27 2.833 -0.134 -6.325 1.00 0.00 N ATOM 410 CA ALA A 27 1.526 0.603 -6.323 1.00 0.00 C ATOM 411 C ALA A 27 1.525 1.631 -5.186 1.00 0.00 C ATOM 412 O ALA A 27 2.091 1.406 -4.135 1.00 0.00 O ATOM 413 CB ALA A 27 0.388 -0.394 -6.105 1.00 0.00 C ATOM 0 H ALA A 27 3.230 -0.300 -5.400 1.00 0.00 H new ATOM 0 HA ALA A 27 1.390 1.113 -7.276 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.565 0.136 -6.103 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.391 -1.131 -6.908 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.525 -0.899 -5.149 1.00 0.00 H new ATOM 419 N GLU A 28 0.900 2.758 -5.391 1.00 0.00 N ATOM 420 CA GLU A 28 0.873 3.802 -4.325 1.00 0.00 C ATOM 421 C GLU A 28 0.141 3.261 -3.098 1.00 0.00 C ATOM 422 O GLU A 28 -0.930 2.699 -3.202 1.00 0.00 O ATOM 423 CB GLU A 28 0.146 5.044 -4.849 1.00 0.00 C ATOM 424 CG GLU A 28 0.979 5.696 -5.956 1.00 0.00 C ATOM 425 CD GLU A 28 0.219 6.886 -6.552 1.00 0.00 C ATOM 426 OE1 GLU A 28 -0.883 7.156 -6.098 1.00 0.00 O ATOM 427 OE2 GLU A 28 0.752 7.509 -7.457 1.00 0.00 O ATOM 0 H GLU A 28 0.407 3.002 -6.250 1.00 0.00 H new ATOM 0 HA GLU A 28 1.894 4.067 -4.049 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.836 4.768 -5.233 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.017 5.753 -4.037 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.936 6.029 -5.554 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.198 4.966 -6.736 1.00 0.00 H new ATOM 434 N LEU A 29 0.717 3.412 -1.935 1.00 0.00 N ATOM 435 CA LEU A 29 0.067 2.889 -0.700 1.00 0.00 C ATOM 436 C LEU A 29 -1.329 3.503 -0.556 1.00 0.00 C ATOM 437 O LEU A 29 -2.270 2.835 -0.173 1.00 0.00 O ATOM 438 CB LEU A 29 0.933 3.261 0.513 1.00 0.00 C ATOM 439 CG LEU A 29 0.349 2.682 1.823 1.00 0.00 C ATOM 440 CD1 LEU A 29 0.406 1.136 1.817 1.00 0.00 C ATOM 441 CD2 LEU A 29 1.169 3.218 3.008 1.00 0.00 C ATOM 0 H LEU A 29 1.613 3.877 -1.788 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.030 1.805 -0.760 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.946 2.886 0.367 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.003 4.346 0.593 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.694 2.986 1.911 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.010 0.753 2.749 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.173 0.754 0.976 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.442 0.810 1.722 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.768 2.817 3.939 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.209 2.911 2.899 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.112 4.306 3.027 1.00 0.00 H new ATOM 453 N SER A 30 -1.476 4.763 -0.859 1.00 0.00 N ATOM 454 CA SER A 30 -2.817 5.403 -0.735 1.00 0.00 C ATOM 455 C SER A 30 -3.822 4.641 -1.607 1.00 0.00 C ATOM 456 O SER A 30 -4.944 4.402 -1.210 1.00 0.00 O ATOM 457 CB SER A 30 -2.733 6.854 -1.210 1.00 0.00 C ATOM 458 OG SER A 30 -2.291 6.881 -2.560 1.00 0.00 O ATOM 0 H SER A 30 -0.729 5.376 -1.186 1.00 0.00 H new ATOM 0 HA SER A 30 -3.140 5.378 0.306 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.708 7.334 -1.125 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.045 7.416 -0.579 1.00 0.00 H new ATOM 0 HG SER A 30 -2.238 7.810 -2.868 1.00 0.00 H new ATOM 464 N ALA A 31 -3.423 4.256 -2.788 1.00 0.00 N ATOM 465 CA ALA A 31 -4.350 3.508 -3.681 1.00 0.00 C ATOM 466 C ALA A 31 -4.691 2.153 -3.055 1.00 0.00 C ATOM 467 O ALA A 31 -5.800 1.671 -3.164 1.00 0.00 O ATOM 468 CB ALA A 31 -3.679 3.289 -5.042 1.00 0.00 C ATOM 0 H ALA A 31 -2.494 4.428 -3.173 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.267 4.083 -3.813 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.356 2.741 -5.698 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.441 4.254 -5.490 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.762 2.716 -4.907 1.00 0.00 H new ATOM 474 N VAL A 32 -3.744 1.532 -2.405 1.00 0.00 N ATOM 475 CA VAL A 32 -4.020 0.204 -1.783 1.00 0.00 C ATOM 476 C VAL A 32 -5.110 0.356 -0.716 1.00 0.00 C ATOM 477 O VAL A 32 -6.061 -0.397 -0.677 1.00 0.00 O ATOM 478 CB VAL A 32 -2.727 -0.326 -1.138 1.00 0.00 C ATOM 479 CG1 VAL A 32 -2.998 -1.655 -0.416 1.00 0.00 C ATOM 480 CG2 VAL A 32 -1.671 -0.542 -2.228 1.00 0.00 C ATOM 0 H VAL A 32 -2.795 1.884 -2.278 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.362 -0.498 -2.543 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.366 0.402 -0.411 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.075 -2.019 0.036 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.746 -1.501 0.362 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.365 -2.390 -1.132 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.753 -0.917 -1.776 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.040 -1.266 -2.954 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.468 0.404 -2.730 1.00 0.00 H new ATOM 490 N GLY A 33 -4.977 1.321 0.154 1.00 0.00 N ATOM 491 CA GLY A 33 -6.005 1.508 1.218 1.00 0.00 C ATOM 492 C GLY A 33 -7.358 1.842 0.584 1.00 0.00 C ATOM 493 O GLY A 33 -8.370 1.261 0.923 1.00 0.00 O ATOM 0 H GLY A 33 -4.204 1.986 0.174 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.089 0.602 1.818 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.702 2.309 1.892 1.00 0.00 H new ATOM 497 N SER A 34 -7.384 2.768 -0.332 1.00 0.00 N ATOM 498 CA SER A 34 -8.672 3.134 -0.988 1.00 0.00 C ATOM 499 C SER A 34 -9.222 1.926 -1.752 1.00 0.00 C ATOM 500 O SER A 34 -10.400 1.633 -1.702 1.00 0.00 O ATOM 501 CB SER A 34 -8.436 4.292 -1.960 1.00 0.00 C ATOM 502 OG SER A 34 -9.562 4.419 -2.818 1.00 0.00 O ATOM 0 H SER A 34 -6.569 3.289 -0.656 1.00 0.00 H new ATOM 0 HA SER A 34 -9.393 3.438 -0.229 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.278 5.219 -1.409 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.535 4.112 -2.547 1.00 0.00 H new ATOM 0 HG SER A 34 -9.416 5.161 -3.442 1.00 0.00 H new ATOM 508 N TYR A 35 -8.381 1.228 -2.468 1.00 0.00 N ATOM 509 CA TYR A 35 -8.855 0.049 -3.245 1.00 0.00 C ATOM 510 C TYR A 35 -9.456 -0.981 -2.284 1.00 0.00 C ATOM 511 O TYR A 35 -10.526 -1.509 -2.516 1.00 0.00 O ATOM 512 CB TYR A 35 -7.668 -0.569 -3.993 1.00 0.00 C ATOM 513 CG TYR A 35 -8.127 -1.792 -4.768 1.00 0.00 C ATOM 514 CD1 TYR A 35 -8.723 -1.631 -6.026 1.00 0.00 C ATOM 515 CD2 TYR A 35 -7.956 -3.079 -4.235 1.00 0.00 C ATOM 516 CE1 TYR A 35 -9.146 -2.753 -6.749 1.00 0.00 C ATOM 517 CE2 TYR A 35 -8.380 -4.200 -4.960 1.00 0.00 C ATOM 518 CZ TYR A 35 -8.975 -4.037 -6.218 1.00 0.00 C ATOM 519 OH TYR A 35 -9.390 -5.142 -6.934 1.00 0.00 O ATOM 0 H TYR A 35 -7.383 1.425 -2.547 1.00 0.00 H new ATOM 0 HA TYR A 35 -9.615 0.357 -3.963 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.235 0.163 -4.675 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.886 -0.848 -3.286 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -8.856 -0.642 -6.438 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.497 -3.205 -3.265 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.605 -2.628 -7.718 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.248 -5.190 -4.549 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.196 -5.955 -6.422 1.00 0.00 H new ATOM 529 N LEU A 36 -8.780 -1.261 -1.206 1.00 0.00 N ATOM 530 CA LEU A 36 -9.312 -2.253 -0.227 1.00 0.00 C ATOM 531 C LEU A 36 -10.622 -1.725 0.362 1.00 0.00 C ATOM 532 O LEU A 36 -11.555 -2.469 0.584 1.00 0.00 O ATOM 533 CB LEU A 36 -8.289 -2.471 0.896 1.00 0.00 C ATOM 534 CG LEU A 36 -7.042 -3.209 0.355 1.00 0.00 C ATOM 535 CD1 LEU A 36 -5.925 -3.149 1.411 1.00 0.00 C ATOM 536 CD2 LEU A 36 -7.365 -4.696 0.028 1.00 0.00 C ATOM 0 H LEU A 36 -7.881 -0.847 -0.959 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.495 -3.202 -0.731 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.995 -1.511 1.320 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -8.741 -3.050 1.701 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.722 -2.720 -0.565 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.042 -3.667 1.037 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.675 -2.108 1.617 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.266 -3.629 2.329 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.469 -5.188 -0.350 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.703 -5.202 0.932 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.150 -4.740 -0.727 1.00 0.00 H new ATOM 548 N ALA A 37 -10.698 -0.449 0.623 1.00 0.00 N ATOM 549 CA ALA A 37 -11.947 0.124 1.204 1.00 0.00 C ATOM 550 C ALA A 37 -13.138 -0.226 0.305 1.00 0.00 C ATOM 551 O ALA A 37 -14.170 -0.664 0.772 1.00 0.00 O ATOM 552 CB ALA A 37 -11.811 1.647 1.296 1.00 0.00 C ATOM 0 H ALA A 37 -9.949 0.223 0.459 1.00 0.00 H new ATOM 0 HA ALA A 37 -12.109 -0.291 2.199 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -12.722 2.069 1.720 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -10.964 1.899 1.934 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.650 2.059 0.300 1.00 0.00 H new ATOM 558 N LYS A 38 -13.001 -0.040 -0.980 1.00 0.00 N ATOM 559 CA LYS A 38 -14.125 -0.366 -1.905 1.00 0.00 C ATOM 560 C LYS A 38 -14.400 -1.871 -1.865 1.00 0.00 C ATOM 561 O LYS A 38 -15.534 -2.304 -1.818 1.00 0.00 O ATOM 562 CB LYS A 38 -13.735 0.038 -3.330 1.00 0.00 C ATOM 563 CG LYS A 38 -13.598 1.558 -3.410 1.00 0.00 C ATOM 564 CD LYS A 38 -13.167 1.956 -4.822 1.00 0.00 C ATOM 565 CE LYS A 38 -13.017 3.478 -4.902 1.00 0.00 C ATOM 566 NZ LYS A 38 -12.571 3.865 -6.268 1.00 0.00 N ATOM 0 H LYS A 38 -12.160 0.323 -1.429 1.00 0.00 H new ATOM 0 HA LYS A 38 -15.020 0.175 -1.598 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.795 -0.438 -3.610 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -14.490 -0.307 -4.037 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.547 2.033 -3.160 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.865 1.907 -2.682 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.223 1.473 -5.075 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.904 1.614 -5.548 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.966 3.960 -4.668 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.295 3.822 -4.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.470 4.899 -6.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.656 3.417 -6.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.276 3.551 -6.965 1.00 0.00 H new ATOM 580 N ASN A 39 -13.369 -2.671 -1.896 1.00 0.00 N ATOM 581 CA ASN A 39 -13.566 -4.148 -1.871 1.00 0.00 C ATOM 582 C ASN A 39 -14.178 -4.582 -0.534 1.00 0.00 C ATOM 583 O ASN A 39 -15.030 -5.447 -0.492 1.00 0.00 O ATOM 584 CB ASN A 39 -12.210 -4.839 -2.062 1.00 0.00 C ATOM 585 CG ASN A 39 -11.702 -4.586 -3.483 1.00 0.00 C ATOM 586 OD1 ASN A 39 -12.168 -5.194 -4.427 1.00 0.00 O ATOM 587 ND2 ASN A 39 -10.765 -3.699 -3.677 1.00 0.00 N ATOM 0 H ASN A 39 -12.397 -2.365 -1.938 1.00 0.00 H new ATOM 0 HA ASN A 39 -14.245 -4.431 -2.675 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.492 -4.460 -1.335 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -12.308 -5.910 -1.885 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.424 -3.516 -4.621 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.374 -3.189 -2.885 1.00 0.00 H new ATOM 594 N ASP A 40 -13.743 -3.997 0.561 1.00 0.00 N ATOM 595 CA ASP A 40 -14.289 -4.387 1.908 1.00 0.00 C ATOM 596 C ASP A 40 -15.503 -3.488 2.238 1.00 0.00 C ATOM 597 O ASP A 40 -15.714 -2.483 1.585 1.00 0.00 O ATOM 598 CB ASP A 40 -13.145 -4.243 2.969 1.00 0.00 C ATOM 599 CG ASP A 40 -13.315 -2.999 3.864 1.00 0.00 C ATOM 600 OD1 ASP A 40 -13.462 -1.918 3.322 1.00 0.00 O ATOM 601 OD2 ASP A 40 -13.294 -3.158 5.075 1.00 0.00 O ATOM 0 H ASP A 40 -13.033 -3.265 0.581 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.631 -5.422 1.913 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -13.121 -5.135 3.595 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -12.185 -4.188 2.456 1.00 0.00 H new ATOM 606 N PRO A 41 -16.288 -3.820 3.244 1.00 0.00 N ATOM 607 CA PRO A 41 -17.464 -2.977 3.630 1.00 0.00 C ATOM 608 C PRO A 41 -17.047 -1.521 3.879 1.00 0.00 C ATOM 609 O PRO A 41 -17.683 -0.587 3.435 1.00 0.00 O ATOM 610 CB PRO A 41 -17.974 -3.629 4.938 1.00 0.00 C ATOM 611 CG PRO A 41 -17.495 -5.049 4.872 1.00 0.00 C ATOM 612 CD PRO A 41 -16.157 -5.009 4.118 1.00 0.00 C ATOM 0 HA PRO A 41 -18.223 -2.940 2.848 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -17.577 -3.118 5.815 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -19.061 -3.581 5.006 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -17.368 -5.465 5.871 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -18.216 -5.681 4.354 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -15.314 -4.913 4.802 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -15.996 -5.918 3.538 1.00 0.00 H new ATOM 620 N SER A 42 -15.969 -1.343 4.595 1.00 0.00 N ATOM 621 CA SER A 42 -15.476 0.028 4.900 1.00 0.00 C ATOM 622 C SER A 42 -14.192 -0.082 5.729 1.00 0.00 C ATOM 623 O SER A 42 -14.226 -0.104 6.943 1.00 0.00 O ATOM 624 CB SER A 42 -16.540 0.794 5.697 1.00 0.00 C ATOM 625 OG SER A 42 -15.932 1.897 6.353 1.00 0.00 O ATOM 0 H SER A 42 -15.405 -2.098 4.985 1.00 0.00 H new ATOM 0 HA SER A 42 -15.274 0.563 3.972 1.00 0.00 H new ATOM 0 HB2 SER A 42 -17.329 1.142 5.031 1.00 0.00 H new ATOM 0 HB3 SER A 42 -17.008 0.135 6.428 1.00 0.00 H new ATOM 0 HG SER A 42 -15.307 1.569 7.033 1.00 0.00 H new ATOM 631 N PHE A 43 -13.064 -0.161 5.081 1.00 0.00 N ATOM 632 CA PHE A 43 -11.780 -0.276 5.833 1.00 0.00 C ATOM 633 C PHE A 43 -11.598 0.971 6.706 1.00 0.00 C ATOM 634 O PHE A 43 -12.388 1.892 6.650 1.00 0.00 O ATOM 635 CB PHE A 43 -10.617 -0.411 4.838 1.00 0.00 C ATOM 636 CG PHE A 43 -9.362 -0.867 5.565 1.00 0.00 C ATOM 637 CD1 PHE A 43 -9.295 -2.173 6.068 1.00 0.00 C ATOM 638 CD2 PHE A 43 -8.271 -0.001 5.733 1.00 0.00 C ATOM 639 CE1 PHE A 43 -8.144 -2.609 6.736 1.00 0.00 C ATOM 640 CE2 PHE A 43 -7.122 -0.439 6.398 1.00 0.00 C ATOM 641 CZ PHE A 43 -7.059 -1.743 6.900 1.00 0.00 C ATOM 0 H PHE A 43 -12.974 -0.151 4.065 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.797 -1.158 6.473 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -10.876 -1.127 4.058 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -10.435 0.545 4.346 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.132 -2.844 5.940 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.319 1.007 5.348 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.095 -3.615 7.125 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.283 0.229 6.524 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.172 -2.081 7.415 1.00 0.00 H new ATOM 651 N ASP A 44 -10.573 0.995 7.528 1.00 0.00 N ATOM 652 CA ASP A 44 -10.331 2.173 8.436 1.00 0.00 C ATOM 653 C ASP A 44 -8.854 2.593 8.376 1.00 0.00 C ATOM 654 O ASP A 44 -8.097 2.317 9.287 1.00 0.00 O ATOM 655 CB ASP A 44 -10.670 1.766 9.874 1.00 0.00 C ATOM 656 CG ASP A 44 -12.130 1.312 9.956 1.00 0.00 C ATOM 657 OD1 ASP A 44 -12.435 0.255 9.426 1.00 0.00 O ATOM 658 OD2 ASP A 44 -12.920 2.031 10.547 1.00 0.00 O ATOM 0 H ASP A 44 -9.887 0.245 7.612 1.00 0.00 H new ATOM 0 HA ASP A 44 -10.955 3.007 8.116 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.011 0.961 10.198 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.503 2.606 10.548 1.00 0.00 H new ATOM 663 N PRO A 45 -8.442 3.262 7.321 1.00 0.00 N ATOM 664 CA PRO A 45 -7.024 3.726 7.173 1.00 0.00 C ATOM 665 C PRO A 45 -6.573 4.590 8.368 1.00 0.00 C ATOM 666 O PRO A 45 -5.450 4.506 8.825 1.00 0.00 O ATOM 667 CB PRO A 45 -7.042 4.553 5.860 1.00 0.00 C ATOM 668 CG PRO A 45 -8.226 4.033 5.095 1.00 0.00 C ATOM 669 CD PRO A 45 -9.267 3.644 6.158 1.00 0.00 C ATOM 0 HA PRO A 45 -6.319 2.895 7.144 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.141 5.619 6.065 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.118 4.421 5.297 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -8.620 4.792 4.420 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -7.951 3.174 4.483 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.932 4.475 6.393 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -9.895 2.819 5.822 1.00 0.00 H new ATOM 677 N ARG A 46 -7.458 5.411 8.871 1.00 0.00 N ATOM 678 CA ARG A 46 -7.119 6.296 10.026 1.00 0.00 C ATOM 679 C ARG A 46 -6.728 5.433 11.223 1.00 0.00 C ATOM 680 O ARG A 46 -5.843 5.772 11.985 1.00 0.00 O ATOM 681 CB ARG A 46 -8.358 7.118 10.394 1.00 0.00 C ATOM 682 CG ARG A 46 -8.683 8.125 9.278 1.00 0.00 C ATOM 683 CD ARG A 46 -10.082 8.709 9.525 1.00 0.00 C ATOM 684 NE ARG A 46 -11.083 7.597 9.428 1.00 0.00 N ATOM 685 CZ ARG A 46 -11.660 7.281 8.293 1.00 0.00 C ATOM 686 NH1 ARG A 46 -11.570 8.060 7.249 1.00 0.00 N ATOM 687 NH2 ARG A 46 -12.376 6.196 8.228 1.00 0.00 N ATOM 0 H ARG A 46 -8.413 5.507 8.526 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.292 6.955 9.760 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -9.208 6.455 10.553 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.186 7.647 11.331 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.940 8.922 9.262 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.646 7.634 8.305 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.129 9.177 10.508 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -10.304 9.484 8.792 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.322 7.071 10.269 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.044 8.932 7.307 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -12.026 7.797 6.375 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -12.482 5.605 9.052 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -12.831 5.937 7.353 1.00 0.00 H new ATOM 701 N ASN A 47 -7.383 4.320 11.397 1.00 0.00 N ATOM 702 CA ASN A 47 -7.053 3.440 12.548 1.00 0.00 C ATOM 703 C ASN A 47 -5.589 3.023 12.433 1.00 0.00 C ATOM 704 O ASN A 47 -4.871 2.970 13.409 1.00 0.00 O ATOM 705 CB ASN A 47 -7.950 2.198 12.525 1.00 0.00 C ATOM 706 CG ASN A 47 -7.596 1.299 13.714 1.00 0.00 C ATOM 707 OD1 ASN A 47 -6.626 1.541 14.403 1.00 0.00 O ATOM 708 ND2 ASN A 47 -8.344 0.270 13.985 1.00 0.00 N ATOM 0 H ASN A 47 -8.132 3.983 10.792 1.00 0.00 H new ATOM 0 HA ASN A 47 -7.217 3.972 13.485 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -8.999 2.491 12.575 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -7.815 1.654 11.590 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -8.115 -0.333 14.776 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -9.159 0.066 13.407 1.00 0.00 H new ATOM 715 N TRP A 48 -5.138 2.735 11.239 1.00 0.00 N ATOM 716 CA TRP A 48 -3.716 2.331 11.049 1.00 0.00 C ATOM 717 C TRP A 48 -2.846 3.589 10.976 1.00 0.00 C ATOM 718 O TRP A 48 -1.834 3.620 10.306 1.00 0.00 O ATOM 719 CB TRP A 48 -3.595 1.532 9.750 1.00 0.00 C ATOM 720 CG TRP A 48 -4.377 0.261 9.890 1.00 0.00 C ATOM 721 CD1 TRP A 48 -5.622 0.056 9.406 1.00 0.00 C ATOM 722 CD2 TRP A 48 -3.989 -0.975 10.558 1.00 0.00 C ATOM 723 NE1 TRP A 48 -6.023 -1.230 9.728 1.00 0.00 N ATOM 724 CE2 TRP A 48 -5.049 -1.906 10.438 1.00 0.00 C ATOM 725 CE3 TRP A 48 -2.830 -1.375 11.247 1.00 0.00 C ATOM 726 CZ2 TRP A 48 -4.961 -3.188 10.981 1.00 0.00 C ATOM 727 CZ3 TRP A 48 -2.738 -2.664 11.797 1.00 0.00 C ATOM 728 CH2 TRP A 48 -3.802 -3.569 11.664 1.00 0.00 C ATOM 0 H TRP A 48 -5.697 2.763 10.386 1.00 0.00 H new ATOM 0 HA TRP A 48 -3.383 1.713 11.883 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -3.972 2.117 8.911 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.549 1.310 9.539 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -6.209 0.778 8.857 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -6.926 -1.629 9.472 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -2.005 -0.686 11.354 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -5.782 -3.881 10.875 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -1.844 -2.960 12.325 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -3.726 -4.559 12.089 1.00 0.00 H new ATOM 739 N GLY A 49 -3.238 4.629 11.668 1.00 0.00 N ATOM 740 CA GLY A 49 -2.437 5.891 11.656 1.00 0.00 C ATOM 741 C GLY A 49 -2.495 6.540 10.273 1.00 0.00 C ATOM 742 O GLY A 49 -2.962 5.952 9.318 1.00 0.00 O ATOM 0 H GLY A 49 -4.080 4.658 12.242 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.822 6.582 12.406 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.402 5.676 11.922 1.00 0.00 H new ATOM 746 N HIS A 50 -2.016 7.751 10.161 1.00 0.00 N ATOM 747 CA HIS A 50 -2.032 8.447 8.844 1.00 0.00 C ATOM 748 C HIS A 50 -1.060 7.754 7.883 1.00 0.00 C ATOM 749 O HIS A 50 -1.340 7.606 6.710 1.00 0.00 O ATOM 750 CB HIS A 50 -1.619 9.910 9.034 1.00 0.00 C ATOM 751 CG HIS A 50 -0.243 9.977 9.641 1.00 0.00 C ATOM 752 ND1 HIS A 50 0.906 10.008 8.868 1.00 0.00 N ATOM 753 CD2 HIS A 50 0.181 10.027 10.946 1.00 0.00 C ATOM 754 CE1 HIS A 50 1.957 10.073 9.705 1.00 0.00 C ATOM 755 NE2 HIS A 50 1.571 10.088 10.984 1.00 0.00 N ATOM 0 H HIS A 50 -1.613 8.289 10.929 1.00 0.00 H new ATOM 0 HA HIS A 50 -3.038 8.408 8.425 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -1.629 10.428 8.075 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -2.336 10.419 9.678 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -0.465 10.020 11.811 1.00 0.00 H new ATOM 0 HE1 HIS A 50 2.987 10.109 9.383 1.00 0.00 H new ATOM 0 HE2 HIS A 50 2.167 10.134 11.811 1.00 0.00 H new ATOM 763 N GLY A 51 0.088 7.331 8.374 1.00 0.00 N ATOM 764 CA GLY A 51 1.100 6.644 7.499 1.00 0.00 C ATOM 765 C GLY A 51 1.765 5.502 8.280 1.00 0.00 C ATOM 766 O GLY A 51 2.716 4.895 7.824 1.00 0.00 O ATOM 0 H GLY A 51 0.368 7.433 9.350 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.616 6.253 6.604 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.854 7.358 7.167 1.00 0.00 H new ATOM 770 N ARG A 52 1.264 5.196 9.448 1.00 0.00 N ATOM 771 CA ARG A 52 1.857 4.093 10.258 1.00 0.00 C ATOM 772 C ARG A 52 1.585 2.762 9.547 1.00 0.00 C ATOM 773 O ARG A 52 2.163 1.742 9.864 1.00 0.00 O ATOM 774 CB ARG A 52 1.203 4.099 11.650 1.00 0.00 C ATOM 775 CG ARG A 52 1.953 3.172 12.618 1.00 0.00 C ATOM 776 CD ARG A 52 1.258 3.190 13.992 1.00 0.00 C ATOM 777 NE ARG A 52 2.159 2.579 15.009 1.00 0.00 N ATOM 778 CZ ARG A 52 1.696 2.222 16.183 1.00 0.00 C ATOM 779 NH1 ARG A 52 0.431 2.409 16.482 1.00 0.00 N ATOM 780 NH2 ARG A 52 2.501 1.691 17.065 1.00 0.00 N ATOM 0 H ARG A 52 0.466 5.665 9.877 1.00 0.00 H new ATOM 0 HA ARG A 52 2.933 4.227 10.367 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.195 5.114 12.047 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.164 3.780 11.568 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.974 2.156 12.223 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.989 3.496 12.719 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.013 4.214 14.275 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.319 2.639 13.944 1.00 0.00 H new ATOM 0 HE ARG A 52 3.145 2.437 14.790 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.197 2.834 15.800 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.076 2.129 17.397 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.486 1.555 16.840 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.144 1.412 17.979 1.00 0.00 H new ATOM 794 N LEU A 53 0.722 2.780 8.567 1.00 0.00 N ATOM 795 CA LEU A 53 0.416 1.534 7.815 1.00 0.00 C ATOM 796 C LEU A 53 1.699 1.048 7.140 1.00 0.00 C ATOM 797 O LEU A 53 1.984 -0.135 7.106 1.00 0.00 O ATOM 798 CB LEU A 53 -0.666 1.838 6.764 1.00 0.00 C ATOM 799 CG LEU A 53 -1.038 0.579 5.944 1.00 0.00 C ATOM 800 CD1 LEU A 53 -1.737 -0.471 6.834 1.00 0.00 C ATOM 801 CD2 LEU A 53 -1.986 1.000 4.811 1.00 0.00 C ATOM 0 H LEU A 53 0.215 3.608 8.255 1.00 0.00 H new ATOM 0 HA LEU A 53 0.046 0.758 8.485 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.556 2.225 7.260 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.311 2.619 6.091 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.129 0.133 5.540 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.988 -1.346 6.235 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.069 -0.765 7.643 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.648 -0.044 7.253 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.260 0.125 4.221 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.885 1.447 5.236 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.487 1.727 4.171 1.00 0.00 H new ATOM 813 N SER A 54 2.477 1.949 6.607 1.00 0.00 N ATOM 814 CA SER A 54 3.744 1.534 5.939 1.00 0.00 C ATOM 815 C SER A 54 4.642 0.837 6.962 1.00 0.00 C ATOM 816 O SER A 54 5.334 -0.112 6.655 1.00 0.00 O ATOM 817 CB SER A 54 4.466 2.770 5.398 1.00 0.00 C ATOM 818 OG SER A 54 4.751 3.651 6.475 1.00 0.00 O ATOM 0 H SER A 54 2.292 2.952 6.605 1.00 0.00 H new ATOM 0 HA SER A 54 3.518 0.855 5.117 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.389 2.477 4.898 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.846 3.272 4.655 1.00 0.00 H new ATOM 0 HG SER A 54 3.916 4.042 6.807 1.00 0.00 H new ATOM 824 N GLN A 55 4.634 1.307 8.181 1.00 0.00 N ATOM 825 CA GLN A 55 5.484 0.687 9.234 1.00 0.00 C ATOM 826 C GLN A 55 4.954 -0.708 9.586 1.00 0.00 C ATOM 827 O GLN A 55 5.715 -1.616 9.857 1.00 0.00 O ATOM 828 CB GLN A 55 5.460 1.567 10.489 1.00 0.00 C ATOM 829 CG GLN A 55 6.004 2.963 10.165 1.00 0.00 C ATOM 830 CD GLN A 55 7.495 2.881 9.818 1.00 0.00 C ATOM 831 OE1 GLN A 55 7.857 2.573 8.699 1.00 0.00 O ATOM 832 NE2 GLN A 55 8.382 3.147 10.737 1.00 0.00 N ATOM 0 H GLN A 55 4.071 2.099 8.492 1.00 0.00 H new ATOM 0 HA GLN A 55 6.504 0.599 8.861 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.441 1.644 10.869 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.059 1.108 11.276 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.451 3.392 9.329 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.857 3.626 11.018 1.00 0.00 H new ATOM 0 HE21 GLN A 55 8.081 3.406 11.677 1.00 0.00 H new ATOM 0 HE22 GLN A 55 9.376 3.096 10.516 1.00 0.00 H new ATOM 841 N MET A 56 3.658 -0.891 9.598 1.00 0.00 N ATOM 842 CA MET A 56 3.101 -2.234 9.948 1.00 0.00 C ATOM 843 C MET A 56 3.586 -3.278 8.938 1.00 0.00 C ATOM 844 O MET A 56 4.042 -4.342 9.306 1.00 0.00 O ATOM 845 CB MET A 56 1.565 -2.167 9.925 1.00 0.00 C ATOM 846 CG MET A 56 0.968 -3.464 10.491 1.00 0.00 C ATOM 847 SD MET A 56 1.267 -3.541 12.275 1.00 0.00 S ATOM 848 CE MET A 56 0.338 -5.062 12.594 1.00 0.00 C ATOM 0 H MET A 56 2.965 -0.174 9.382 1.00 0.00 H new ATOM 0 HA MET A 56 3.441 -2.519 10.944 1.00 0.00 H new ATOM 0 HB2 MET A 56 1.222 -1.314 10.511 1.00 0.00 H new ATOM 0 HB3 MET A 56 1.216 -2.013 8.904 1.00 0.00 H new ATOM 0 HG2 MET A 56 -0.103 -3.502 10.289 1.00 0.00 H new ATOM 0 HG3 MET A 56 1.416 -4.328 9.999 1.00 0.00 H new ATOM 0 HE1 MET A 56 0.389 -5.303 13.656 1.00 0.00 H new ATOM 0 HE2 MET A 56 -0.703 -4.920 12.303 1.00 0.00 H new ATOM 0 HE3 MET A 56 0.768 -5.879 12.015 1.00 0.00 H new ATOM 858 N VAL A 57 3.491 -2.988 7.671 1.00 0.00 N ATOM 859 CA VAL A 57 3.944 -3.969 6.639 1.00 0.00 C ATOM 860 C VAL A 57 5.473 -4.050 6.651 1.00 0.00 C ATOM 861 O VAL A 57 6.055 -5.044 6.266 1.00 0.00 O ATOM 862 CB VAL A 57 3.455 -3.528 5.256 1.00 0.00 C ATOM 863 CG1 VAL A 57 1.928 -3.601 5.208 1.00 0.00 C ATOM 864 CG2 VAL A 57 3.896 -2.088 4.985 1.00 0.00 C ATOM 0 H VAL A 57 3.119 -2.113 7.302 1.00 0.00 H new ATOM 0 HA VAL A 57 3.529 -4.952 6.864 1.00 0.00 H new ATOM 0 HB VAL A 57 3.881 -4.187 4.500 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.579 -3.287 4.224 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.607 -4.625 5.397 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.508 -2.943 5.969 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.546 -1.779 4.000 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.473 -1.429 5.743 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.984 -2.028 5.018 1.00 0.00 H new ATOM 874 N LYS A 58 6.125 -3.007 7.087 1.00 0.00 N ATOM 875 CA LYS A 58 7.615 -3.008 7.126 1.00 0.00 C ATOM 876 C LYS A 58 8.100 -4.103 8.075 1.00 0.00 C ATOM 877 O LYS A 58 9.139 -4.695 7.874 1.00 0.00 O ATOM 878 CB LYS A 58 8.108 -1.643 7.618 1.00 0.00 C ATOM 879 CG LYS A 58 9.638 -1.576 7.539 1.00 0.00 C ATOM 880 CD LYS A 58 10.106 -0.185 7.974 1.00 0.00 C ATOM 881 CE LYS A 58 11.633 -0.107 7.886 1.00 0.00 C ATOM 882 NZ LYS A 58 12.057 -0.279 6.470 1.00 0.00 N ATOM 0 H LYS A 58 5.686 -2.148 7.420 1.00 0.00 H new ATOM 0 HA LYS A 58 8.008 -3.199 6.127 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.670 -0.849 7.013 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.781 -1.478 8.645 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.081 -2.338 8.180 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.971 -1.783 6.522 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.655 0.577 7.338 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.779 0.017 8.994 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.981 0.853 8.267 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.084 -0.880 8.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.011 0.115 6.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.066 -1.291 6.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.391 0.219 5.845 1.00 0.00 H new ATOM 896 N LYS A 59 7.353 -4.374 9.107 1.00 0.00 N ATOM 897 CA LYS A 59 7.769 -5.431 10.070 1.00 0.00 C ATOM 898 C LYS A 59 7.786 -6.781 9.347 1.00 0.00 C ATOM 899 O LYS A 59 8.585 -7.645 9.642 1.00 0.00 O ATOM 900 CB LYS A 59 6.770 -5.475 11.244 1.00 0.00 C ATOM 901 CG LYS A 59 7.320 -6.349 12.403 1.00 0.00 C ATOM 902 CD LYS A 59 8.252 -5.528 13.315 1.00 0.00 C ATOM 903 CE LYS A 59 8.694 -6.389 14.500 1.00 0.00 C ATOM 904 NZ LYS A 59 9.578 -7.485 14.012 1.00 0.00 N ATOM 0 H LYS A 59 6.472 -3.909 9.326 1.00 0.00 H new ATOM 0 HA LYS A 59 8.764 -5.214 10.458 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.580 -4.464 11.604 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.816 -5.876 10.901 1.00 0.00 H new ATOM 0 HG2 LYS A 59 6.491 -6.748 12.988 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.862 -7.202 11.995 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.122 -5.189 12.753 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.736 -4.636 13.672 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.224 -5.778 15.231 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.823 -6.807 15.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.079 -7.911 14.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.002 -8.211 13.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.270 -7.099 13.339 1.00 0.00 H new ATOM 918 N LEU A 60 6.896 -6.968 8.405 1.00 0.00 N ATOM 919 CA LEU A 60 6.839 -8.260 7.655 1.00 0.00 C ATOM 920 C LEU A 60 8.027 -8.343 6.692 1.00 0.00 C ATOM 921 O LEU A 60 8.441 -7.357 6.115 1.00 0.00 O ATOM 922 CB LEU A 60 5.527 -8.324 6.870 1.00 0.00 C ATOM 923 CG LEU A 60 4.334 -8.082 7.817 1.00 0.00 C ATOM 924 CD1 LEU A 60 3.038 -8.099 6.999 1.00 0.00 C ATOM 925 CD2 LEU A 60 4.274 -9.177 8.909 1.00 0.00 C ATOM 0 H LEU A 60 6.202 -6.276 8.122 1.00 0.00 H new ATOM 0 HA LEU A 60 6.886 -9.097 8.352 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.531 -7.575 6.078 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.429 -9.297 6.389 1.00 0.00 H new ATOM 0 HG LEU A 60 4.456 -7.115 8.305 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.188 -7.929 7.660 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.074 -7.313 6.244 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.929 -9.067 6.510 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.426 -8.989 9.567 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.159 -10.154 8.439 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.195 -9.161 9.491 1.00 0.00 H new ATOM 937 N ASP A 61 8.594 -9.516 6.530 1.00 0.00 N ATOM 938 CA ASP A 61 9.777 -9.679 5.624 1.00 0.00 C ATOM 939 C ASP A 61 9.340 -10.027 4.195 1.00 0.00 C ATOM 940 O ASP A 61 9.981 -9.639 3.235 1.00 0.00 O ATOM 941 CB ASP A 61 10.653 -10.816 6.156 1.00 0.00 C ATOM 942 CG ASP A 61 9.823 -12.099 6.272 1.00 0.00 C ATOM 943 OD1 ASP A 61 8.606 -12.005 6.224 1.00 0.00 O ATOM 944 OD2 ASP A 61 10.418 -13.155 6.408 1.00 0.00 O ATOM 0 H ASP A 61 8.286 -10.373 6.990 1.00 0.00 H new ATOM 0 HA ASP A 61 10.326 -8.737 5.601 1.00 0.00 H new ATOM 0 HB2 ASP A 61 11.499 -10.978 5.488 1.00 0.00 H new ATOM 0 HB3 ASP A 61 11.062 -10.547 7.130 1.00 0.00 H new ATOM 949 N PHE A 62 8.279 -10.779 4.031 1.00 0.00 N ATOM 950 CA PHE A 62 7.849 -11.167 2.652 1.00 0.00 C ATOM 951 C PHE A 62 7.229 -9.962 1.925 1.00 0.00 C ATOM 952 O PHE A 62 6.564 -10.115 0.920 1.00 0.00 O ATOM 953 CB PHE A 62 6.839 -12.325 2.739 1.00 0.00 C ATOM 954 CG PHE A 62 5.524 -11.848 3.329 1.00 0.00 C ATOM 955 CD1 PHE A 62 5.365 -11.781 4.719 1.00 0.00 C ATOM 956 CD2 PHE A 62 4.468 -11.476 2.485 1.00 0.00 C ATOM 957 CE1 PHE A 62 4.151 -11.342 5.264 1.00 0.00 C ATOM 958 CE2 PHE A 62 3.256 -11.040 3.031 1.00 0.00 C ATOM 959 CZ PHE A 62 3.097 -10.973 4.420 1.00 0.00 C ATOM 0 H PHE A 62 7.696 -11.139 4.787 1.00 0.00 H new ATOM 0 HA PHE A 62 8.719 -11.494 2.082 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.668 -12.740 1.746 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.249 -13.126 3.353 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.178 -12.067 5.370 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.590 -11.526 1.413 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.028 -11.288 6.336 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.443 -10.755 2.380 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.161 -10.637 4.841 1.00 0.00 H new ATOM 969 N LEU A 63 7.454 -8.767 2.427 1.00 0.00 N ATOM 970 CA LEU A 63 6.897 -7.527 1.779 1.00 0.00 C ATOM 971 C LEU A 63 8.002 -6.466 1.697 1.00 0.00 C ATOM 972 O LEU A 63 8.632 -6.132 2.679 1.00 0.00 O ATOM 973 CB LEU A 63 5.717 -7.005 2.634 1.00 0.00 C ATOM 974 CG LEU A 63 4.422 -7.821 2.340 1.00 0.00 C ATOM 975 CD1 LEU A 63 3.493 -7.798 3.561 1.00 0.00 C ATOM 976 CD2 LEU A 63 3.666 -7.215 1.143 1.00 0.00 C ATOM 0 H LEU A 63 8.006 -8.595 3.267 1.00 0.00 H new ATOM 0 HA LEU A 63 6.542 -7.749 0.773 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.967 -7.079 3.692 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.545 -5.950 2.420 1.00 0.00 H new ATOM 0 HG LEU A 63 4.714 -8.846 2.112 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.592 -8.371 3.343 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.005 -8.238 4.416 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.221 -6.768 3.792 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.764 -7.796 0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.392 -6.185 1.369 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.306 -7.235 0.261 1.00 0.00 H new ATOM 988 N THR A 64 8.232 -5.929 0.522 1.00 0.00 N ATOM 989 CA THR A 64 9.287 -4.878 0.346 1.00 0.00 C ATOM 990 C THR A 64 8.630 -3.500 0.439 1.00 0.00 C ATOM 991 O THR A 64 7.592 -3.265 -0.147 1.00 0.00 O ATOM 992 CB THR A 64 9.930 -5.045 -1.035 1.00 0.00 C ATOM 993 OG1 THR A 64 10.445 -6.364 -1.154 1.00 0.00 O ATOM 994 CG2 THR A 64 11.073 -4.038 -1.200 1.00 0.00 C ATOM 0 H THR A 64 7.730 -6.176 -0.331 1.00 0.00 H new ATOM 0 HA THR A 64 10.050 -4.975 1.119 1.00 0.00 H new ATOM 0 HB THR A 64 9.181 -4.869 -1.807 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.856 -6.476 -2.037 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.527 -4.161 -2.183 1.00 0.00 H new ATOM 0 HG22 THR A 64 10.682 -3.025 -1.105 1.00 0.00 H new ATOM 0 HG23 THR A 64 11.824 -4.211 -0.429 1.00 0.00 H new ATOM 1002 N VAL A 65 9.229 -2.587 1.175 1.00 0.00 N ATOM 1003 CA VAL A 65 8.653 -1.205 1.332 1.00 0.00 C ATOM 1004 C VAL A 65 9.636 -0.175 0.767 1.00 0.00 C ATOM 1005 O VAL A 65 10.812 -0.188 1.078 1.00 0.00 O ATOM 1006 CB VAL A 65 8.436 -0.915 2.819 1.00 0.00 C ATOM 1007 CG1 VAL A 65 7.826 0.484 2.999 1.00 0.00 C ATOM 1008 CG2 VAL A 65 7.488 -1.962 3.405 1.00 0.00 C ATOM 0 H VAL A 65 10.102 -2.742 1.679 1.00 0.00 H new ATOM 0 HA VAL A 65 7.705 -1.145 0.797 1.00 0.00 H new ATOM 0 HB VAL A 65 9.395 -0.955 3.335 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.675 0.681 4.060 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.501 1.232 2.583 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.868 0.533 2.481 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.331 -1.759 4.464 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.532 -1.921 2.882 1.00 0.00 H new ATOM 0 HG23 VAL A 65 7.924 -2.954 3.287 1.00 0.00 H new ATOM 1018 N GLN A 66 9.152 0.724 -0.055 1.00 0.00 N ATOM 1019 CA GLN A 66 10.027 1.787 -0.654 1.00 0.00 C ATOM 1020 C GLN A 66 9.254 3.106 -0.681 1.00 0.00 C ATOM 1021 O GLN A 66 8.086 3.146 -1.016 1.00 0.00 O ATOM 1022 CB GLN A 66 10.412 1.394 -2.084 1.00 0.00 C ATOM 1023 CG GLN A 66 11.332 0.175 -2.050 1.00 0.00 C ATOM 1024 CD GLN A 66 11.712 -0.220 -3.477 1.00 0.00 C ATOM 1025 OE1 GLN A 66 11.347 0.446 -4.424 1.00 0.00 O ATOM 1026 NE2 GLN A 66 12.440 -1.284 -3.672 1.00 0.00 N ATOM 0 H GLN A 66 8.174 0.769 -0.342 1.00 0.00 H new ATOM 0 HA GLN A 66 10.932 1.897 -0.057 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.517 1.170 -2.664 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.913 2.226 -2.578 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.229 0.400 -1.473 1.00 0.00 H new ATOM 0 HG3 GLN A 66 10.833 -0.656 -1.552 1.00 0.00 H new ATOM 0 HE21 GLN A 66 12.747 -1.844 -2.877 1.00 0.00 H new ATOM 0 HE22 GLN A 66 12.702 -1.556 -4.619 1.00 0.00 H new ATOM 1035 N GLU A 67 9.901 4.188 -0.332 1.00 0.00 N ATOM 1036 CA GLU A 67 9.225 5.525 -0.333 1.00 0.00 C ATOM 1037 C GLU A 67 9.496 6.229 -1.669 1.00 0.00 C ATOM 1038 O GLU A 67 10.609 6.243 -2.153 1.00 0.00 O ATOM 1039 CB GLU A 67 9.798 6.371 0.812 1.00 0.00 C ATOM 1040 CG GLU A 67 9.381 5.774 2.164 1.00 0.00 C ATOM 1041 CD GLU A 67 10.117 4.451 2.407 1.00 0.00 C ATOM 1042 OE1 GLU A 67 11.161 4.252 1.807 1.00 0.00 O ATOM 1043 OE2 GLU A 67 9.624 3.662 3.196 1.00 0.00 O ATOM 0 H GLU A 67 10.879 4.205 -0.043 1.00 0.00 H new ATOM 0 HA GLU A 67 8.151 5.399 -0.200 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.885 6.407 0.740 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.439 7.397 0.732 1.00 0.00 H new ATOM 0 HG2 GLU A 67 9.607 6.477 2.966 1.00 0.00 H new ATOM 0 HG3 GLU A 67 8.304 5.608 2.180 1.00 0.00 H new ATOM 1050 N SER A 68 8.475 6.808 -2.267 1.00 0.00 N ATOM 1051 CA SER A 68 8.629 7.524 -3.585 1.00 0.00 C ATOM 1052 C SER A 68 8.287 9.009 -3.400 1.00 0.00 C ATOM 1053 O SER A 68 7.261 9.345 -2.844 1.00 0.00 O ATOM 1054 CB SER A 68 7.656 6.897 -4.591 1.00 0.00 C ATOM 1055 OG SER A 68 8.065 5.564 -4.865 1.00 0.00 O ATOM 0 H SER A 68 7.526 6.815 -1.893 1.00 0.00 H new ATOM 0 HA SER A 68 9.653 7.435 -3.947 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.643 6.904 -4.189 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.638 7.481 -5.511 1.00 0.00 H new ATOM 0 HG SER A 68 8.256 5.470 -5.822 1.00 0.00 H new ATOM 1061 N ARG A 69 9.136 9.911 -3.852 1.00 0.00 N ATOM 1062 CA ARG A 69 8.827 11.370 -3.676 1.00 0.00 C ATOM 1063 C ARG A 69 7.749 11.790 -4.665 1.00 0.00 C ATOM 1064 O ARG A 69 7.739 11.389 -5.811 1.00 0.00 O ATOM 1065 CB ARG A 69 10.091 12.234 -3.856 1.00 0.00 C ATOM 1066 CG ARG A 69 10.801 11.950 -5.208 1.00 0.00 C ATOM 1067 CD ARG A 69 12.307 12.190 -5.040 1.00 0.00 C ATOM 1068 NE ARG A 69 12.817 11.164 -4.060 1.00 0.00 N ATOM 1069 CZ ARG A 69 13.537 10.138 -4.442 1.00 0.00 C ATOM 1070 NH1 ARG A 69 14.170 10.149 -5.583 1.00 0.00 N ATOM 1071 NH2 ARG A 69 13.694 9.129 -3.630 1.00 0.00 N ATOM 0 H ARG A 69 10.014 9.703 -4.327 1.00 0.00 H new ATOM 0 HA ARG A 69 8.462 11.525 -2.661 1.00 0.00 H new ATOM 0 HB2 ARG A 69 9.820 13.288 -3.803 1.00 0.00 H new ATOM 0 HB3 ARG A 69 10.782 12.041 -3.036 1.00 0.00 H new ATOM 0 HG2 ARG A 69 10.616 10.923 -5.522 1.00 0.00 H new ATOM 0 HG3 ARG A 69 10.401 12.599 -5.987 1.00 0.00 H new ATOM 0 HD2 ARG A 69 12.820 12.096 -5.997 1.00 0.00 H new ATOM 0 HD3 ARG A 69 12.497 13.199 -4.674 1.00 0.00 H new ATOM 0 HE ARG A 69 12.595 11.272 -3.070 1.00 0.00 H new ATOM 0 HH11 ARG A 69 14.109 10.965 -6.192 1.00 0.00 H new ATOM 0 HH12 ARG A 69 14.726 9.342 -5.865 1.00 0.00 H new ATOM 0 HH21 ARG A 69 13.258 9.144 -2.708 1.00 0.00 H new ATOM 0 HH22 ARG A 69 14.252 8.325 -3.917 1.00 0.00 H new ATOM 1085 N ASN A 70 6.824 12.587 -4.208 1.00 0.00 N ATOM 1086 CA ASN A 70 5.707 13.046 -5.081 1.00 0.00 C ATOM 1087 C ASN A 70 5.248 14.421 -4.596 1.00 0.00 C ATOM 1088 O ASN A 70 4.411 14.541 -3.722 1.00 0.00 O ATOM 1089 CB ASN A 70 4.567 12.030 -4.978 1.00 0.00 C ATOM 1090 CG ASN A 70 5.026 10.694 -5.577 1.00 0.00 C ATOM 1091 OD1 ASN A 70 4.906 9.598 -4.878 1.00 0.00 O flip ATOM 1092 ND2 ASN A 70 5.506 10.650 -6.691 1.00 0.00 N flip ATOM 0 H ASN A 70 6.794 12.945 -3.253 1.00 0.00 H new ATOM 0 HA ASN A 70 6.024 13.124 -6.121 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.278 11.895 -3.936 1.00 0.00 H new ATOM 0 HB3 ASN A 70 3.688 12.397 -5.508 1.00 0.00 H new ATOM 0 HD21 ASN A 70 5.601 11.505 -7.240 1.00 0.00 H new ATOM 0 HD22 ASN A 70 5.814 9.758 -7.079 1.00 0.00 H new ATOM 1099 N GLY A 71 5.804 15.462 -5.148 1.00 0.00 N ATOM 1100 CA GLY A 71 5.416 16.834 -4.719 1.00 0.00 C ATOM 1101 C GLY A 71 5.726 17.027 -3.231 1.00 0.00 C ATOM 1102 O GLY A 71 6.742 16.582 -2.732 1.00 0.00 O ATOM 0 H GLY A 71 6.513 15.422 -5.880 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.955 17.574 -5.310 1.00 0.00 H new ATOM 0 HA3 GLY A 71 4.353 16.994 -4.901 1.00 0.00 H new ATOM 1106 N SER A 72 4.854 17.702 -2.521 1.00 0.00 N ATOM 1107 CA SER A 72 5.071 17.955 -1.063 1.00 0.00 C ATOM 1108 C SER A 72 4.583 16.760 -0.236 1.00 0.00 C ATOM 1109 O SER A 72 4.766 16.723 0.966 1.00 0.00 O ATOM 1110 CB SER A 72 4.279 19.199 -0.654 1.00 0.00 C ATOM 1111 OG SER A 72 2.889 18.931 -0.779 1.00 0.00 O ATOM 0 H SER A 72 3.990 18.093 -2.896 1.00 0.00 H new ATOM 0 HA SER A 72 6.135 18.102 -0.881 1.00 0.00 H new ATOM 0 HB2 SER A 72 4.517 19.475 0.373 1.00 0.00 H new ATOM 0 HB3 SER A 72 4.556 20.044 -1.284 1.00 0.00 H new ATOM 0 HG SER A 72 2.378 19.725 -0.516 1.00 0.00 H new ATOM 1117 N LYS A 73 3.956 15.787 -0.868 1.00 0.00 N ATOM 1118 CA LYS A 73 3.435 14.584 -0.126 1.00 0.00 C ATOM 1119 C LYS A 73 4.034 13.304 -0.723 1.00 0.00 C ATOM 1120 O LYS A 73 3.560 12.783 -1.712 1.00 0.00 O ATOM 1121 CB LYS A 73 1.908 14.534 -0.256 1.00 0.00 C ATOM 1122 CG LYS A 73 1.293 15.717 0.493 1.00 0.00 C ATOM 1123 CD LYS A 73 -0.231 15.673 0.356 1.00 0.00 C ATOM 1124 CE LYS A 73 -0.844 16.849 1.121 1.00 0.00 C ATOM 1125 NZ LYS A 73 -2.328 16.808 0.991 1.00 0.00 N ATOM 0 H LYS A 73 3.782 15.775 -1.873 1.00 0.00 H new ATOM 0 HA LYS A 73 3.717 14.658 0.924 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.621 14.566 -1.307 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.528 13.596 0.150 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.575 15.681 1.545 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.678 16.655 0.092 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.514 15.721 -0.695 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.615 14.731 0.747 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.559 16.801 2.172 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.460 17.791 0.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -2.744 17.607 1.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -2.590 16.874 -0.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -2.686 15.915 1.385 1.00 0.00 H new ATOM 1139 N LEU A 74 5.071 12.792 -0.116 1.00 0.00 N ATOM 1140 CA LEU A 74 5.694 11.541 -0.633 1.00 0.00 C ATOM 1141 C LEU A 74 4.709 10.393 -0.421 1.00 0.00 C ATOM 1142 O LEU A 74 4.122 10.265 0.634 1.00 0.00 O ATOM 1143 CB LEU A 74 6.999 11.263 0.132 1.00 0.00 C ATOM 1144 CG LEU A 74 6.729 11.057 1.668 1.00 0.00 C ATOM 1145 CD1 LEU A 74 6.740 9.560 2.036 1.00 0.00 C ATOM 1146 CD2 LEU A 74 7.813 11.762 2.503 1.00 0.00 C ATOM 0 H LEU A 74 5.513 13.186 0.715 1.00 0.00 H new ATOM 0 HA LEU A 74 5.925 11.641 -1.693 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.481 10.375 -0.277 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.690 12.094 -0.010 1.00 0.00 H new ATOM 0 HG LEU A 74 5.749 11.481 1.885 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.551 9.446 3.103 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.964 9.041 1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 74 7.713 9.133 1.792 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.612 11.610 3.563 1.00 0.00 H new ATOM 0 HD22 LEU A 74 8.790 11.347 2.256 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.806 12.829 2.282 1.00 0.00 H new ATOM 1158 N HIS A 75 4.518 9.559 -1.420 1.00 0.00 N ATOM 1159 CA HIS A 75 3.559 8.406 -1.298 1.00 0.00 C ATOM 1160 C HIS A 75 4.338 7.109 -1.090 1.00 0.00 C ATOM 1161 O HIS A 75 5.242 6.784 -1.834 1.00 0.00 O ATOM 1162 CB HIS A 75 2.730 8.298 -2.582 1.00 0.00 C ATOM 1163 CG HIS A 75 1.863 9.519 -2.727 1.00 0.00 C ATOM 1164 ND1 HIS A 75 0.894 9.850 -1.795 1.00 0.00 N ATOM 1165 CD2 HIS A 75 1.802 10.492 -3.692 1.00 0.00 C ATOM 1166 CE1 HIS A 75 0.296 10.980 -2.214 1.00 0.00 C ATOM 1167 NE2 HIS A 75 0.812 11.415 -3.367 1.00 0.00 N ATOM 0 H HIS A 75 4.989 9.627 -2.322 1.00 0.00 H new ATOM 0 HA HIS A 75 2.899 8.573 -0.446 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.389 8.203 -3.445 1.00 0.00 H new ATOM 0 HB3 HIS A 75 2.111 7.401 -2.553 1.00 0.00 H new ATOM 0 HD2 HIS A 75 2.428 10.535 -4.571 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -0.504 11.475 -1.683 1.00 0.00 H new ATOM 0 HE2 HIS A 75 0.539 12.244 -3.895 1.00 0.00 H new ATOM 1175 N SER A 76 3.983 6.365 -0.079 1.00 0.00 N ATOM 1176 CA SER A 76 4.684 5.079 0.196 1.00 0.00 C ATOM 1177 C SER A 76 4.307 4.051 -0.871 1.00 0.00 C ATOM 1178 O SER A 76 3.251 4.123 -1.464 1.00 0.00 O ATOM 1179 CB SER A 76 4.255 4.555 1.567 1.00 0.00 C ATOM 1180 OG SER A 76 4.761 3.238 1.745 1.00 0.00 O ATOM 0 H SER A 76 3.233 6.594 0.573 1.00 0.00 H new ATOM 0 HA SER A 76 5.761 5.243 0.181 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.630 5.210 2.353 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.168 4.553 1.645 1.00 0.00 H new ATOM 0 HG SER A 76 4.490 2.899 2.624 1.00 0.00 H new ATOM 1186 N GLU A 77 5.165 3.086 -1.108 1.00 0.00 N ATOM 1187 CA GLU A 77 4.876 2.023 -2.126 1.00 0.00 C ATOM 1188 C GLU A 77 5.275 0.669 -1.546 1.00 0.00 C ATOM 1189 O GLU A 77 6.230 0.561 -0.803 1.00 0.00 O ATOM 1190 CB GLU A 77 5.692 2.291 -3.393 1.00 0.00 C ATOM 1191 CG GLU A 77 5.174 3.555 -4.079 1.00 0.00 C ATOM 1192 CD GLU A 77 6.024 3.861 -5.317 1.00 0.00 C ATOM 1193 OE1 GLU A 77 6.927 3.090 -5.606 1.00 0.00 O ATOM 1194 OE2 GLU A 77 5.753 4.862 -5.959 1.00 0.00 O ATOM 0 H GLU A 77 6.063 2.988 -0.634 1.00 0.00 H new ATOM 0 HA GLU A 77 3.815 2.027 -2.374 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.746 2.408 -3.141 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.619 1.441 -4.071 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.131 3.422 -4.367 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.209 4.396 -3.386 1.00 0.00 H new ATOM 1201 N ILE A 78 4.543 -0.362 -1.887 1.00 0.00 N ATOM 1202 CA ILE A 78 4.841 -1.742 -1.382 1.00 0.00 C ATOM 1203 C ILE A 78 4.816 -2.724 -2.552 1.00 0.00 C ATOM 1204 O ILE A 78 4.198 -2.478 -3.568 1.00 0.00 O ATOM 1205 CB ILE A 78 3.785 -2.133 -0.338 1.00 0.00 C ATOM 1206 CG1 ILE A 78 2.373 -2.003 -0.936 1.00 0.00 C ATOM 1207 CG2 ILE A 78 3.907 -1.212 0.876 1.00 0.00 C ATOM 1208 CD1 ILE A 78 1.343 -2.547 0.058 1.00 0.00 C ATOM 0 H ILE A 78 3.735 -0.306 -2.507 1.00 0.00 H new ATOM 0 HA ILE A 78 5.828 -1.767 -0.920 1.00 0.00 H new ATOM 0 HB ILE A 78 3.950 -3.167 -0.037 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.158 -0.959 -1.163 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.313 -2.553 -1.875 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.158 -1.488 1.619 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.902 -1.312 1.310 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.748 -0.179 0.567 1.00 0.00 H new ATOM 0 HD11 ILE A 78 0.343 -2.454 -0.367 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.554 -3.596 0.263 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.397 -1.978 0.986 1.00 0.00 H new ATOM 1220 N ARG A 79 5.479 -3.843 -2.412 1.00 0.00 N ATOM 1221 CA ARG A 79 5.504 -4.871 -3.500 1.00 0.00 C ATOM 1222 C ARG A 79 5.490 -6.251 -2.842 1.00 0.00 C ATOM 1223 O ARG A 79 6.022 -6.434 -1.765 1.00 0.00 O ATOM 1224 CB ARG A 79 6.782 -4.710 -4.339 1.00 0.00 C ATOM 1225 CG ARG A 79 6.694 -5.576 -5.603 1.00 0.00 C ATOM 1226 CD ARG A 79 8.022 -5.525 -6.372 1.00 0.00 C ATOM 1227 NE ARG A 79 7.818 -6.094 -7.739 1.00 0.00 N ATOM 1228 CZ ARG A 79 8.838 -6.486 -8.464 1.00 0.00 C ATOM 1229 NH1 ARG A 79 10.046 -6.474 -7.967 1.00 0.00 N ATOM 1230 NH2 ARG A 79 8.639 -6.911 -9.686 1.00 0.00 N ATOM 0 H ARG A 79 6.012 -4.093 -1.579 1.00 0.00 H new ATOM 0 HA ARG A 79 4.641 -4.752 -4.155 1.00 0.00 H new ATOM 0 HB2 ARG A 79 6.917 -3.664 -4.614 1.00 0.00 H new ATOM 0 HB3 ARG A 79 7.652 -5.000 -3.750 1.00 0.00 H new ATOM 0 HG2 ARG A 79 6.461 -6.606 -5.332 1.00 0.00 H new ATOM 0 HG3 ARG A 79 5.883 -5.223 -6.239 1.00 0.00 H new ATOM 0 HD2 ARG A 79 8.377 -4.497 -6.442 1.00 0.00 H new ATOM 0 HD3 ARG A 79 8.787 -6.091 -5.840 1.00 0.00 H new ATOM 0 HE ARG A 79 6.873 -6.179 -8.113 1.00 0.00 H new ATOM 0 HH11 ARG A 79 10.200 -6.158 -7.009 1.00 0.00 H new ATOM 0 HH12 ARG A 79 10.835 -6.780 -8.536 1.00 0.00 H new ATOM 0 HH21 ARG A 79 7.694 -6.936 -10.070 1.00 0.00 H new ATOM 0 HH22 ARG A 79 9.429 -7.217 -10.254 1.00 0.00 H new ATOM 1244 N LEU A 80 4.887 -7.222 -3.468 1.00 0.00 N ATOM 1245 CA LEU A 80 4.851 -8.584 -2.857 1.00 0.00 C ATOM 1246 C LEU A 80 6.171 -9.279 -3.196 1.00 0.00 C ATOM 1247 O LEU A 80 6.503 -9.464 -4.351 1.00 0.00 O ATOM 1248 CB LEU A 80 3.649 -9.361 -3.445 1.00 0.00 C ATOM 1249 CG LEU A 80 3.176 -10.474 -2.476 1.00 0.00 C ATOM 1250 CD1 LEU A 80 4.341 -11.431 -2.154 1.00 0.00 C ATOM 1251 CD2 LEU A 80 2.607 -9.853 -1.159 1.00 0.00 C ATOM 0 H LEU A 80 4.420 -7.135 -4.370 1.00 0.00 H new ATOM 0 HA LEU A 80 4.733 -8.537 -1.774 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.827 -8.672 -3.641 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.930 -9.802 -4.401 1.00 0.00 H new ATOM 0 HG LEU A 80 2.381 -11.039 -2.962 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.996 -12.208 -1.472 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.700 -11.890 -3.075 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.152 -10.873 -1.686 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.280 -10.651 -0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.383 -9.265 -0.669 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.760 -9.209 -1.397 1.00 0.00 H new ATOM 1263 N ARG A 81 6.937 -9.646 -2.204 1.00 0.00 N ATOM 1264 CA ARG A 81 8.241 -10.301 -2.487 1.00 0.00 C ATOM 1265 C ARG A 81 8.017 -11.555 -3.331 1.00 0.00 C ATOM 1266 O ARG A 81 7.237 -12.418 -2.984 1.00 0.00 O ATOM 1267 CB ARG A 81 8.932 -10.680 -1.172 1.00 0.00 C ATOM 1268 CG ARG A 81 10.305 -11.282 -1.476 1.00 0.00 C ATOM 1269 CD ARG A 81 11.076 -11.532 -0.181 1.00 0.00 C ATOM 1270 NE ARG A 81 12.412 -12.102 -0.540 1.00 0.00 N ATOM 1271 CZ ARG A 81 12.564 -13.388 -0.753 1.00 0.00 C ATOM 1272 NH1 ARG A 81 11.597 -14.227 -0.488 1.00 0.00 N ATOM 1273 NH2 ARG A 81 13.703 -13.835 -1.205 1.00 0.00 N ATOM 0 H ARG A 81 6.716 -9.520 -1.216 1.00 0.00 H new ATOM 0 HA ARG A 81 8.876 -9.606 -3.036 1.00 0.00 H new ATOM 0 HB2 ARG A 81 9.041 -9.800 -0.538 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.322 -11.396 -0.621 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.186 -12.218 -2.022 1.00 0.00 H new ATOM 0 HG3 ARG A 81 10.871 -10.607 -2.119 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.196 -10.603 0.377 1.00 0.00 H new ATOM 0 HD3 ARG A 81 10.528 -12.221 0.462 1.00 0.00 H new ATOM 0 HE ARG A 81 13.217 -11.481 -0.620 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.713 -13.884 -0.112 1.00 0.00 H new ATOM 0 HH12 ARG A 81 11.726 -15.224 -0.658 1.00 0.00 H new ATOM 0 HH21 ARG A 81 14.468 -13.186 -1.390 1.00 0.00 H new ATOM 0 HH22 ARG A 81 13.829 -14.833 -1.373 1.00 0.00 H new ATOM 1287 N HIS A 82 8.705 -11.651 -4.441 1.00 0.00 N ATOM 1288 CA HIS A 82 8.553 -12.836 -5.328 1.00 0.00 C ATOM 1289 C HIS A 82 9.619 -12.777 -6.430 1.00 0.00 C ATOM 1290 O HIS A 82 10.424 -11.867 -6.471 1.00 0.00 O ATOM 1291 CB HIS A 82 7.159 -12.822 -5.966 1.00 0.00 C ATOM 1292 CG HIS A 82 6.960 -14.082 -6.763 1.00 0.00 C ATOM 1293 ND1 HIS A 82 6.725 -14.294 -8.098 1.00 0.00 N flip ATOM 1294 CD2 HIS A 82 6.995 -15.339 -6.180 1.00 0.00 C flip ATOM 1295 CE1 HIS A 82 6.615 -15.659 -8.343 1.00 0.00 C flip ATOM 1296 NE2 HIS A 82 6.786 -16.243 -7.154 1.00 0.00 N flip ATOM 0 H HIS A 82 9.370 -10.951 -4.770 1.00 0.00 H new ATOM 0 HA HIS A 82 8.675 -13.749 -4.746 1.00 0.00 H new ATOM 0 HB2 HIS A 82 6.394 -12.743 -5.193 1.00 0.00 H new ATOM 0 HB3 HIS A 82 7.051 -11.950 -6.611 1.00 0.00 H new ATOM 0 HD2 HIS A 82 7.160 -15.554 -5.134 1.00 0.00 H new ATOM 0 HE1 HIS A 82 6.431 -16.143 -9.291 1.00 0.00 H new ATOM 0 HE2 HIS A 82 6.761 -17.251 -7.003 1.00 0.00 H new ATOM 1304 N ASP A 83 9.628 -13.740 -7.318 1.00 0.00 N ATOM 1305 CA ASP A 83 10.634 -13.753 -8.429 1.00 0.00 C ATOM 1306 C ASP A 83 12.046 -13.640 -7.852 1.00 0.00 C ATOM 1307 O ASP A 83 12.933 -13.076 -8.460 1.00 0.00 O ATOM 1308 CB ASP A 83 10.371 -12.583 -9.391 1.00 0.00 C ATOM 1309 CG ASP A 83 9.047 -12.808 -10.130 1.00 0.00 C ATOM 1310 OD1 ASP A 83 8.605 -13.943 -10.186 1.00 0.00 O ATOM 1311 OD2 ASP A 83 8.501 -11.840 -10.632 1.00 0.00 O ATOM 0 H ASP A 83 8.977 -14.525 -7.322 1.00 0.00 H new ATOM 0 HA ASP A 83 10.544 -14.691 -8.977 1.00 0.00 H new ATOM 0 HB2 ASP A 83 10.334 -11.645 -8.837 1.00 0.00 H new ATOM 0 HB3 ASP A 83 11.188 -12.498 -10.107 1.00 0.00 H new ATOM 1316 N GLY A 84 12.263 -14.174 -6.677 1.00 0.00 N ATOM 1317 CA GLY A 84 13.618 -14.105 -6.048 1.00 0.00 C ATOM 1318 C GLY A 84 14.521 -15.196 -6.633 1.00 0.00 C ATOM 1319 O GLY A 84 15.608 -15.436 -6.147 1.00 0.00 O ATOM 0 H GLY A 84 11.556 -14.658 -6.123 1.00 0.00 H new ATOM 0 HA2 GLY A 84 14.059 -13.124 -6.222 1.00 0.00 H new ATOM 0 HA3 GLY A 84 13.534 -14.230 -4.968 1.00 0.00 H new ATOM 1323 N LEU A 85 14.078 -15.867 -7.667 1.00 0.00 N ATOM 1324 CA LEU A 85 14.913 -16.952 -8.280 1.00 0.00 C ATOM 1325 C LEU A 85 15.320 -17.952 -7.187 1.00 0.00 C ATOM 1326 O LEU A 85 15.005 -17.782 -6.025 1.00 0.00 O ATOM 1327 CB LEU A 85 16.174 -16.346 -8.939 1.00 0.00 C ATOM 1328 CG LEU A 85 15.834 -15.754 -10.318 1.00 0.00 C ATOM 1329 CD1 LEU A 85 14.764 -14.659 -10.178 1.00 0.00 C ATOM 1330 CD2 LEU A 85 17.108 -15.153 -10.929 1.00 0.00 C ATOM 0 H LEU A 85 13.175 -15.712 -8.115 1.00 0.00 H new ATOM 0 HA LEU A 85 14.334 -17.465 -9.047 1.00 0.00 H new ATOM 0 HB2 LEU A 85 16.589 -15.570 -8.296 1.00 0.00 H new ATOM 0 HB3 LEU A 85 16.940 -17.114 -9.046 1.00 0.00 H new ATOM 0 HG LEU A 85 15.445 -16.542 -10.964 1.00 0.00 H new ATOM 0 HD11 LEU A 85 14.533 -14.249 -11.161 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.861 -15.086 -9.742 1.00 0.00 H new ATOM 0 HD13 LEU A 85 15.138 -13.865 -9.532 1.00 0.00 H new ATOM 0 HD21 LEU A 85 16.878 -14.730 -11.907 1.00 0.00 H new ATOM 0 HD22 LEU A 85 17.490 -14.369 -10.276 1.00 0.00 H new ATOM 0 HD23 LEU A 85 17.862 -15.933 -11.039 1.00 0.00 H new ATOM 1342 N GLU A 86 16.020 -18.994 -7.549 1.00 0.00 N ATOM 1343 CA GLU A 86 16.444 -19.999 -6.529 1.00 0.00 C ATOM 1344 C GLU A 86 17.537 -20.889 -7.126 1.00 0.00 C ATOM 1345 O GLU A 86 17.310 -21.605 -8.081 1.00 0.00 O ATOM 1346 CB GLU A 86 15.225 -20.858 -6.126 1.00 0.00 C ATOM 1347 CG GLU A 86 15.474 -21.562 -4.784 1.00 0.00 C ATOM 1348 CD GLU A 86 16.589 -22.598 -4.941 1.00 0.00 C ATOM 1349 OE1 GLU A 86 16.638 -23.232 -5.983 1.00 0.00 O ATOM 1350 OE2 GLU A 86 17.377 -22.737 -4.020 1.00 0.00 O ATOM 0 H GLU A 86 16.316 -19.193 -8.504 1.00 0.00 H new ATOM 0 HA GLU A 86 16.834 -19.494 -5.646 1.00 0.00 H new ATOM 0 HB2 GLU A 86 14.339 -20.228 -6.052 1.00 0.00 H new ATOM 0 HB3 GLU A 86 15.025 -21.600 -6.899 1.00 0.00 H new ATOM 0 HG2 GLU A 86 15.749 -20.830 -4.025 1.00 0.00 H new ATOM 0 HG3 GLU A 86 14.560 -22.047 -4.442 1.00 0.00 H new ATOM 1357 N HIS A 87 18.712 -20.854 -6.557 1.00 0.00 N ATOM 1358 CA HIS A 87 19.832 -21.700 -7.067 1.00 0.00 C ATOM 1359 C HIS A 87 20.065 -21.418 -8.556 1.00 0.00 C ATOM 1360 O HIS A 87 19.252 -20.808 -9.221 1.00 0.00 O ATOM 1361 CB HIS A 87 19.488 -23.184 -6.865 1.00 0.00 C ATOM 1362 CG HIS A 87 20.706 -24.032 -7.116 1.00 0.00 C ATOM 1363 ND1 HIS A 87 21.101 -24.397 -8.392 1.00 0.00 N ATOM 1364 CD2 HIS A 87 21.624 -24.593 -6.265 1.00 0.00 C ATOM 1365 CE1 HIS A 87 22.212 -25.145 -8.274 1.00 0.00 C ATOM 1366 NE2 HIS A 87 22.575 -25.297 -6.998 1.00 0.00 N ATOM 0 H HIS A 87 18.947 -20.271 -5.754 1.00 0.00 H new ATOM 0 HA HIS A 87 20.742 -21.462 -6.516 1.00 0.00 H new ATOM 0 HB2 HIS A 87 19.124 -23.347 -5.851 1.00 0.00 H new ATOM 0 HB3 HIS A 87 18.685 -23.476 -7.543 1.00 0.00 H new ATOM 0 HD1 HIS A 87 20.634 -24.144 -9.263 1.00 0.00 H new ATOM 0 HD2 HIS A 87 21.611 -24.502 -5.189 1.00 0.00 H new ATOM 0 HE1 HIS A 87 22.746 -25.571 -9.110 1.00 0.00 H new ATOM 1374 N HIS A 88 21.179 -21.859 -9.085 1.00 0.00 N ATOM 1375 CA HIS A 88 21.477 -21.630 -10.533 1.00 0.00 C ATOM 1376 C HIS A 88 20.770 -22.701 -11.368 1.00 0.00 C ATOM 1377 O HIS A 88 20.378 -23.733 -10.863 1.00 0.00 O ATOM 1378 CB HIS A 88 22.990 -21.726 -10.764 1.00 0.00 C ATOM 1379 CG HIS A 88 23.307 -21.365 -12.191 1.00 0.00 C ATOM 1380 ND1 HIS A 88 23.117 -22.254 -13.238 1.00 0.00 N ATOM 1381 CD2 HIS A 88 23.799 -20.216 -12.758 1.00 0.00 C ATOM 1382 CE1 HIS A 88 23.494 -21.632 -14.370 1.00 0.00 C ATOM 1383 NE2 HIS A 88 23.918 -20.386 -14.133 1.00 0.00 N ATOM 0 H HIS A 88 21.898 -22.370 -8.574 1.00 0.00 H new ATOM 0 HA HIS A 88 21.125 -20.641 -10.827 1.00 0.00 H new ATOM 0 HB2 HIS A 88 23.515 -21.056 -10.083 1.00 0.00 H new ATOM 0 HB3 HIS A 88 23.338 -22.736 -10.548 1.00 0.00 H new ATOM 0 HD2 HIS A 88 24.055 -19.316 -12.218 1.00 0.00 H new ATOM 0 HE1 HIS A 88 23.459 -22.084 -15.350 1.00 0.00 H new ATOM 0 HE2 HIS A 88 24.256 -19.706 -14.814 1.00 0.00 H new ATOM 1391 N HIS A 89 20.605 -22.469 -12.646 1.00 0.00 N ATOM 1392 CA HIS A 89 19.924 -23.480 -13.516 1.00 0.00 C ATOM 1393 C HIS A 89 20.398 -23.312 -14.961 1.00 0.00 C ATOM 1394 O HIS A 89 20.865 -22.262 -15.354 1.00 0.00 O ATOM 1395 CB HIS A 89 18.409 -23.277 -13.446 1.00 0.00 C ATOM 1396 CG HIS A 89 18.071 -21.863 -13.834 1.00 0.00 C ATOM 1397 ND1 HIS A 89 18.025 -20.834 -12.908 1.00 0.00 N ATOM 1398 CD2 HIS A 89 17.752 -21.296 -15.042 1.00 0.00 C ATOM 1399 CE1 HIS A 89 17.690 -19.710 -13.568 1.00 0.00 C ATOM 1400 NE2 HIS A 89 17.512 -19.937 -14.872 1.00 0.00 N ATOM 0 H HIS A 89 20.912 -21.623 -13.126 1.00 0.00 H new ATOM 0 HA HIS A 89 20.171 -24.483 -13.169 1.00 0.00 H new ATOM 0 HB2 HIS A 89 17.907 -23.978 -14.113 1.00 0.00 H new ATOM 0 HB3 HIS A 89 18.050 -23.484 -12.438 1.00 0.00 H new ATOM 0 HD1 HIS A 89 18.211 -20.914 -11.908 1.00 0.00 H new ATOM 0 HD2 HIS A 89 17.696 -21.825 -15.982 1.00 0.00 H new ATOM 0 HE1 HIS A 89 17.579 -18.743 -13.100 1.00 0.00 H new ATOM 1408 N HIS A 90 20.286 -24.347 -15.752 1.00 0.00 N ATOM 1409 CA HIS A 90 20.735 -24.269 -17.176 1.00 0.00 C ATOM 1410 C HIS A 90 19.664 -23.575 -18.021 1.00 0.00 C ATOM 1411 O HIS A 90 18.492 -23.611 -17.705 1.00 0.00 O ATOM 1412 CB HIS A 90 20.964 -25.686 -17.713 1.00 0.00 C ATOM 1413 CG HIS A 90 22.112 -26.321 -16.976 1.00 0.00 C ATOM 1414 ND1 HIS A 90 21.946 -26.947 -15.750 1.00 0.00 N ATOM 1415 CD2 HIS A 90 23.446 -26.427 -17.276 1.00 0.00 C ATOM 1416 CE1 HIS A 90 23.154 -27.398 -15.360 1.00 0.00 C ATOM 1417 NE2 HIS A 90 24.104 -27.108 -16.254 1.00 0.00 N ATOM 0 H HIS A 90 19.901 -25.249 -15.472 1.00 0.00 H new ATOM 0 HA HIS A 90 21.662 -23.699 -17.230 1.00 0.00 H new ATOM 0 HB2 HIS A 90 20.062 -26.284 -17.588 1.00 0.00 H new ATOM 0 HB3 HIS A 90 21.178 -25.652 -18.781 1.00 0.00 H new ATOM 0 HD2 HIS A 90 23.915 -26.041 -18.169 1.00 0.00 H new ATOM 0 HE1 HIS A 90 23.333 -27.929 -14.437 1.00 0.00 H new ATOM 0 HE2 HIS A 90 25.097 -27.336 -16.200 1.00 0.00 H new ATOM 1425 N HIS A 91 20.064 -22.947 -19.097 1.00 0.00 N ATOM 1426 CA HIS A 91 19.083 -22.247 -19.980 1.00 0.00 C ATOM 1427 C HIS A 91 18.211 -21.299 -19.154 1.00 0.00 C ATOM 1428 O HIS A 91 17.208 -21.690 -18.591 1.00 0.00 O ATOM 1429 CB HIS A 91 18.200 -23.283 -20.681 1.00 0.00 C ATOM 1430 CG HIS A 91 19.063 -24.190 -21.512 1.00 0.00 C ATOM 1431 ND1 HIS A 91 19.761 -23.736 -22.620 1.00 0.00 N ATOM 1432 CD2 HIS A 91 19.356 -25.527 -21.407 1.00 0.00 C ATOM 1433 CE1 HIS A 91 20.434 -24.783 -23.132 1.00 0.00 C ATOM 1434 NE2 HIS A 91 20.221 -25.899 -22.431 1.00 0.00 N ATOM 0 H HIS A 91 21.035 -22.889 -19.404 1.00 0.00 H new ATOM 0 HA HIS A 91 19.625 -21.665 -20.725 1.00 0.00 H new ATOM 0 HB2 HIS A 91 17.646 -23.864 -19.944 1.00 0.00 H new ATOM 0 HB3 HIS A 91 17.464 -22.784 -21.312 1.00 0.00 H new ATOM 0 HD2 HIS A 91 18.973 -26.190 -20.645 1.00 0.00 H new ATOM 0 HE1 HIS A 91 21.069 -24.727 -24.004 1.00 0.00 H new ATOM 0 HE2 HIS A 91 20.609 -26.825 -22.608 1.00 0.00 H new ATOM 1442 N HIS A 92 18.585 -20.050 -19.083 1.00 0.00 N ATOM 1443 CA HIS A 92 17.778 -19.073 -18.301 1.00 0.00 C ATOM 1444 C HIS A 92 16.427 -18.859 -18.985 1.00 0.00 C ATOM 1445 O HIS A 92 16.426 -18.467 -20.141 1.00 0.00 O ATOM 1446 CB HIS A 92 18.529 -17.741 -18.222 1.00 0.00 C ATOM 1447 CG HIS A 92 18.791 -17.223 -19.611 1.00 0.00 C ATOM 1448 ND1 HIS A 92 19.768 -17.766 -20.430 1.00 0.00 N ATOM 1449 CD2 HIS A 92 18.213 -16.210 -20.338 1.00 0.00 C ATOM 1450 CE1 HIS A 92 19.748 -17.085 -21.590 1.00 0.00 C ATOM 1451 NE2 HIS A 92 18.819 -16.127 -21.587 1.00 0.00 N ATOM 1452 OXT HIS A 92 15.417 -19.095 -18.344 1.00 0.00 O ATOM 0 H HIS A 92 19.415 -19.665 -19.533 1.00 0.00 H new ATOM 0 HA HIS A 92 17.615 -19.459 -17.295 1.00 0.00 H new ATOM 0 HB2 HIS A 92 17.944 -17.015 -17.657 1.00 0.00 H new ATOM 0 HB3 HIS A 92 19.471 -17.874 -17.690 1.00 0.00 H new ATOM 0 HD2 HIS A 92 17.411 -15.575 -19.992 1.00 0.00 H new ATOM 0 HE1 HIS A 92 20.404 -17.289 -22.423 1.00 0.00 H new ATOM 0 HE2 HIS A 92 18.600 -15.474 -22.339 1.00 0.00 H new TER 1460 HIS A 92