USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 729 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 81 SER OG : rot 121:sc= -0.22 USER MOD Set 1.2: A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.0773 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0437 USER MOD Single : A 4 MET CE :methyl 161:sc= -0.12 (180deg=-0.565) USER MOD Single : A 6 HIS : no HD1:sc=-0.00306 X(o=-0.0031,f=-0.0031) USER MOD Single : A 7 MET CE :methyl 164:sc= -0.0462 (180deg=-0.415) USER MOD Single : A 15 HIS : no HD1:sc= -0.825 X(o=-0.83,f=-0.38) USER MOD Single : A 19 LYS NZ :NH3+ -154:sc= 1.09 (180deg=0.63) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -2.9 K(o=-2.9,f=-7.5!) USER MOD Single : A 35 GLN : amide:sc= -1.82 K(o=-1.8,f=-5!) USER MOD Single : A 36 MET CE :methyl -175:sc= -3.22! (180deg=-3.4!) USER MOD Single : A 38 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0117) USER MOD Single : A 40 ASN : amide:sc= -3.53! C(o=-3.5!,f=-8.1!) USER MOD Single : A 42 THR OG1 : rot -63:sc= 0.578 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 137:sc= -0.199 (180deg=-0.608) USER MOD Single : A 57 CYS SG : rot 73:sc= -0.184 USER MOD Single : A 59 HIS : no HD1:sc= -0.619 K(o=-0.62,f=-0.033) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -2.53! K(o=-2.5!,f=-0.45) USER MOD Single : A 67 LYS NZ :NH3+ -115:sc= -0.629 (180deg=-2.54!) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 130:sc= 1.24 (180deg=-0.0559) USER MOD Single : A 79 LYS NZ :NH3+ 167:sc= -0.0313 (180deg=-0.213) USER MOD Single : A 80 ASN : amide:sc= -6.09! C(o=-6.1!,f=-3.5!) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HE2:sc= 0.852 K(o=1.1,f=-5.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.025 -16.248 -22.468 1.00 0.00 N ATOM 2 CA GLY A 1 2.031 -17.174 -23.626 1.00 0.00 C ATOM 3 C GLY A 1 0.710 -17.890 -23.780 1.00 0.00 C ATOM 4 O GLY A 1 -0.273 -17.538 -23.127 1.00 0.00 O ATOM 0 H1 GLY A 1 2.354 -15.310 -22.772 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.059 -16.170 -22.091 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.658 -16.614 -21.728 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.250 -16.616 -24.536 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.829 -17.906 -23.501 1.00 0.00 H new ATOM 10 N SER A 2 0.685 -18.910 -24.625 1.00 0.00 N ATOM 11 CA SER A 2 -0.526 -19.672 -24.887 1.00 0.00 C ATOM 12 C SER A 2 -0.738 -20.760 -23.836 1.00 0.00 C ATOM 13 O SER A 2 -0.964 -21.927 -24.163 1.00 0.00 O ATOM 14 CB SER A 2 -0.455 -20.282 -26.286 1.00 0.00 C ATOM 15 OG SER A 2 0.845 -20.803 -26.552 1.00 0.00 O ATOM 0 H SER A 2 1.501 -19.232 -25.146 1.00 0.00 H new ATOM 0 HA SER A 2 -1.379 -18.995 -24.832 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.195 -21.077 -26.378 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.706 -19.526 -27.029 1.00 0.00 H new ATOM 0 HG SER A 2 0.865 -21.189 -27.452 1.00 0.00 H new ATOM 21 N ALA A 3 -0.661 -20.370 -22.573 1.00 0.00 N ATOM 22 CA ALA A 3 -0.848 -21.295 -21.469 1.00 0.00 C ATOM 23 C ALA A 3 -1.476 -20.571 -20.291 1.00 0.00 C ATOM 24 O ALA A 3 -0.806 -20.247 -19.310 1.00 0.00 O ATOM 25 CB ALA A 3 0.478 -21.931 -21.076 1.00 0.00 C ATOM 0 H ALA A 3 -0.468 -19.410 -22.287 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.521 -22.093 -21.783 1.00 0.00 H new ATOM 0 HB1 ALA A 3 0.319 -22.621 -20.247 1.00 0.00 H new ATOM 0 HB2 ALA A 3 0.887 -22.475 -21.928 1.00 0.00 H new ATOM 0 HB3 ALA A 3 1.178 -21.153 -20.771 1.00 0.00 H new ATOM 31 N MET A 4 -2.770 -20.317 -20.396 1.00 0.00 N ATOM 32 CA MET A 4 -3.485 -19.542 -19.390 1.00 0.00 C ATOM 33 C MET A 4 -3.899 -20.419 -18.214 1.00 0.00 C ATOM 34 O MET A 4 -5.087 -20.559 -17.919 1.00 0.00 O ATOM 35 CB MET A 4 -4.721 -18.882 -20.003 1.00 0.00 C ATOM 36 CG MET A 4 -4.405 -17.917 -21.134 1.00 0.00 C ATOM 37 SD MET A 4 -5.890 -17.213 -21.882 1.00 0.00 S ATOM 38 CE MET A 4 -6.593 -16.336 -20.486 1.00 0.00 C ATOM 0 H MET A 4 -3.351 -20.637 -21.171 1.00 0.00 H new ATOM 0 HA MET A 4 -2.810 -18.768 -19.024 1.00 0.00 H new ATOM 0 HB2 MET A 4 -5.388 -19.659 -20.377 1.00 0.00 H new ATOM 0 HB3 MET A 4 -5.261 -18.347 -19.222 1.00 0.00 H new ATOM 0 HG2 MET A 4 -3.777 -17.111 -20.754 1.00 0.00 H new ATOM 0 HG3 MET A 4 -3.829 -18.437 -21.899 1.00 0.00 H new ATOM 0 HE1 MET A 4 -7.303 -15.591 -20.845 1.00 0.00 H new ATOM 0 HE2 MET A 4 -7.107 -17.042 -19.834 1.00 0.00 H new ATOM 0 HE3 MET A 4 -5.797 -15.841 -19.929 1.00 0.00 H new ATOM 48 N GLY A 5 -2.918 -21.012 -17.550 1.00 0.00 N ATOM 49 CA GLY A 5 -3.200 -21.812 -16.378 1.00 0.00 C ATOM 50 C GLY A 5 -3.491 -20.940 -15.179 1.00 0.00 C ATOM 51 O GLY A 5 -4.649 -20.648 -14.881 1.00 0.00 O ATOM 0 H GLY A 5 -1.932 -20.953 -17.803 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.053 -22.461 -16.574 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -2.350 -22.459 -16.163 1.00 0.00 H new ATOM 55 N HIS A 6 -2.440 -20.522 -14.493 1.00 0.00 N ATOM 56 CA HIS A 6 -2.561 -19.595 -13.375 1.00 0.00 C ATOM 57 C HIS A 6 -1.325 -18.716 -13.299 1.00 0.00 C ATOM 58 O HIS A 6 -0.204 -19.195 -13.476 1.00 0.00 O ATOM 59 CB HIS A 6 -2.736 -20.337 -12.043 1.00 0.00 C ATOM 60 CG HIS A 6 -4.086 -20.955 -11.846 1.00 0.00 C ATOM 61 ND1 HIS A 6 -5.161 -20.270 -11.318 1.00 0.00 N ATOM 62 CD2 HIS A 6 -4.532 -22.206 -12.105 1.00 0.00 C ATOM 63 CE1 HIS A 6 -6.207 -21.072 -11.262 1.00 0.00 C ATOM 64 NE2 HIS A 6 -5.852 -22.250 -11.734 1.00 0.00 N ATOM 0 H HIS A 6 -1.483 -20.813 -14.692 1.00 0.00 H new ATOM 0 HA HIS A 6 -3.447 -18.983 -13.546 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -1.980 -21.119 -11.976 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -2.547 -19.640 -11.226 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -3.957 -23.018 -12.525 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -7.187 -20.808 -10.892 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -6.461 -23.064 -11.811 1.00 0.00 H new ATOM 73 N MET A 7 -1.526 -17.434 -13.047 1.00 0.00 N ATOM 74 CA MET A 7 -0.412 -16.521 -12.857 1.00 0.00 C ATOM 75 C MET A 7 -0.248 -16.225 -11.369 1.00 0.00 C ATOM 76 O MET A 7 -1.030 -15.473 -10.790 1.00 0.00 O ATOM 77 CB MET A 7 -0.626 -15.226 -13.644 1.00 0.00 C ATOM 78 CG MET A 7 0.566 -14.282 -13.592 1.00 0.00 C ATOM 79 SD MET A 7 0.364 -12.835 -14.649 1.00 0.00 S ATOM 80 CE MET A 7 -1.062 -12.057 -13.893 1.00 0.00 C ATOM 0 H MET A 7 -2.447 -17.003 -12.969 1.00 0.00 H new ATOM 0 HA MET A 7 0.498 -16.990 -13.233 1.00 0.00 H new ATOM 0 HB2 MET A 7 -0.839 -15.473 -14.684 1.00 0.00 H new ATOM 0 HB3 MET A 7 -1.504 -14.712 -13.252 1.00 0.00 H new ATOM 0 HG2 MET A 7 0.719 -13.955 -12.563 1.00 0.00 H new ATOM 0 HG3 MET A 7 1.464 -14.822 -13.892 1.00 0.00 H new ATOM 0 HE1 MET A 7 -1.141 -11.027 -14.240 1.00 0.00 H new ATOM 0 HE2 MET A 7 -1.964 -12.603 -14.170 1.00 0.00 H new ATOM 0 HE3 MET A 7 -0.950 -12.067 -12.809 1.00 0.00 H new ATOM 90 N PRO A 8 0.774 -16.822 -10.734 1.00 0.00 N ATOM 91 CA PRO A 8 0.963 -16.748 -9.279 1.00 0.00 C ATOM 92 C PRO A 8 1.435 -15.379 -8.797 1.00 0.00 C ATOM 93 O PRO A 8 1.469 -15.118 -7.596 1.00 0.00 O ATOM 94 CB PRO A 8 2.034 -17.802 -9.012 1.00 0.00 C ATOM 95 CG PRO A 8 2.813 -17.880 -10.279 1.00 0.00 C ATOM 96 CD PRO A 8 1.830 -17.621 -11.386 1.00 0.00 C ATOM 0 HA PRO A 8 0.026 -16.914 -8.748 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.669 -17.517 -8.174 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.588 -18.765 -8.761 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.616 -17.143 -10.290 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.278 -18.859 -10.391 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.290 -17.079 -12.212 1.00 0.00 H new ATOM 0 HD3 PRO A 8 1.434 -18.550 -11.796 1.00 0.00 H new ATOM 104 N ALA A 9 1.790 -14.508 -9.730 1.00 0.00 N ATOM 105 CA ALA A 9 2.250 -13.177 -9.377 1.00 0.00 C ATOM 106 C ALA A 9 1.062 -12.250 -9.186 1.00 0.00 C ATOM 107 O ALA A 9 0.378 -11.883 -10.146 1.00 0.00 O ATOM 108 CB ALA A 9 3.187 -12.637 -10.448 1.00 0.00 C ATOM 0 H ALA A 9 1.768 -14.699 -10.732 1.00 0.00 H new ATOM 0 HA ALA A 9 2.802 -13.232 -8.439 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.523 -11.638 -10.168 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.050 -13.297 -10.543 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.661 -12.589 -11.401 1.00 0.00 H new ATOM 114 N VAL A 10 0.812 -11.885 -7.940 1.00 0.00 N ATOM 115 CA VAL A 10 -0.321 -11.045 -7.609 1.00 0.00 C ATOM 116 C VAL A 10 0.124 -9.613 -7.345 1.00 0.00 C ATOM 117 O VAL A 10 0.930 -9.352 -6.447 1.00 0.00 O ATOM 118 CB VAL A 10 -1.078 -11.580 -6.372 1.00 0.00 C ATOM 119 CG1 VAL A 10 -2.298 -10.723 -6.069 1.00 0.00 C ATOM 120 CG2 VAL A 10 -1.484 -13.034 -6.578 1.00 0.00 C ATOM 0 H VAL A 10 1.382 -12.160 -7.140 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.994 -11.062 -8.466 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.405 -11.528 -5.516 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.813 -11.120 -5.195 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.983 -9.699 -5.870 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.973 -10.735 -6.925 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.015 -13.392 -5.696 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.134 -13.110 -7.449 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.593 -13.642 -6.736 1.00 0.00 H new ATOM 130 N ASP A 11 -0.387 -8.695 -8.147 1.00 0.00 N ATOM 131 CA ASP A 11 -0.142 -7.276 -7.944 1.00 0.00 C ATOM 132 C ASP A 11 -1.423 -6.612 -7.475 1.00 0.00 C ATOM 133 O ASP A 11 -2.433 -6.635 -8.177 1.00 0.00 O ATOM 134 CB ASP A 11 0.334 -6.606 -9.241 1.00 0.00 C ATOM 135 CG ASP A 11 1.737 -7.009 -9.649 1.00 0.00 C ATOM 136 OD1 ASP A 11 1.937 -8.174 -10.056 1.00 0.00 O ATOM 137 OD2 ASP A 11 2.644 -6.153 -9.593 1.00 0.00 O ATOM 0 H ASP A 11 -0.978 -8.908 -8.950 1.00 0.00 H new ATOM 0 HA ASP A 11 0.640 -7.163 -7.193 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.357 -6.858 -10.046 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.297 -5.524 -9.117 1.00 0.00 H new ATOM 142 N VAL A 12 -1.392 -6.040 -6.288 1.00 0.00 N ATOM 143 CA VAL A 12 -2.551 -5.344 -5.756 1.00 0.00 C ATOM 144 C VAL A 12 -2.261 -3.855 -5.683 1.00 0.00 C ATOM 145 O VAL A 12 -1.331 -3.435 -4.999 1.00 0.00 O ATOM 146 CB VAL A 12 -2.944 -5.858 -4.358 1.00 0.00 C ATOM 147 CG1 VAL A 12 -4.236 -5.201 -3.898 1.00 0.00 C ATOM 148 CG2 VAL A 12 -3.083 -7.373 -4.353 1.00 0.00 C ATOM 0 H VAL A 12 -0.579 -6.042 -5.672 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.388 -5.535 -6.428 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.150 -5.591 -3.661 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.502 -5.574 -2.909 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.099 -4.121 -3.854 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.035 -5.437 -4.601 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.361 -7.710 -3.354 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.854 -7.670 -5.064 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.133 -7.826 -4.637 1.00 0.00 H new ATOM 158 N GLU A 13 -3.048 -3.063 -6.387 1.00 0.00 N ATOM 159 CA GLU A 13 -2.785 -1.643 -6.488 1.00 0.00 C ATOM 160 C GLU A 13 -3.688 -0.863 -5.552 1.00 0.00 C ATOM 161 O GLU A 13 -4.903 -0.803 -5.739 1.00 0.00 O ATOM 162 CB GLU A 13 -2.966 -1.169 -7.926 1.00 0.00 C ATOM 163 CG GLU A 13 -2.142 -1.963 -8.925 1.00 0.00 C ATOM 164 CD GLU A 13 -2.128 -1.339 -10.299 1.00 0.00 C ATOM 165 OE1 GLU A 13 -1.260 -0.482 -10.549 1.00 0.00 O ATOM 166 OE2 GLU A 13 -2.983 -1.699 -11.133 1.00 0.00 O ATOM 0 H GLU A 13 -3.873 -3.380 -6.896 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.751 -1.463 -6.193 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -4.020 -1.240 -8.196 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.691 -0.116 -7.992 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.119 -2.048 -8.559 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -2.540 -2.975 -8.995 1.00 0.00 H new ATOM 173 N ILE A 14 -3.081 -0.267 -4.548 1.00 0.00 N ATOM 174 CA ILE A 14 -3.812 0.511 -3.572 1.00 0.00 C ATOM 175 C ILE A 14 -3.720 1.986 -3.931 1.00 0.00 C ATOM 176 O ILE A 14 -2.761 2.414 -4.570 1.00 0.00 O ATOM 177 CB ILE A 14 -3.269 0.307 -2.142 1.00 0.00 C ATOM 178 CG1 ILE A 14 -2.866 -1.159 -1.912 1.00 0.00 C ATOM 179 CG2 ILE A 14 -4.327 0.727 -1.133 1.00 0.00 C ATOM 180 CD1 ILE A 14 -2.329 -1.443 -0.520 1.00 0.00 C ATOM 0 H ILE A 14 -2.075 -0.308 -4.386 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.848 0.173 -3.590 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.380 0.924 -2.013 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.732 -1.795 -2.092 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.109 -1.436 -2.645 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.944 0.583 -0.123 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.574 1.778 -1.281 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -5.222 0.121 -1.271 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.068 -2.498 -0.439 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.442 -0.835 -0.341 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.091 -1.200 0.221 1.00 0.00 H new ATOM 192 N HIS A 15 -4.716 2.760 -3.540 1.00 0.00 N ATOM 193 CA HIS A 15 -4.721 4.183 -3.834 1.00 0.00 C ATOM 194 C HIS A 15 -4.818 4.992 -2.550 1.00 0.00 C ATOM 195 O HIS A 15 -5.702 4.765 -1.725 1.00 0.00 O ATOM 196 CB HIS A 15 -5.871 4.528 -4.783 1.00 0.00 C ATOM 197 CG HIS A 15 -5.734 3.896 -6.137 1.00 0.00 C ATOM 198 ND1 HIS A 15 -6.473 2.803 -6.533 1.00 0.00 N ATOM 199 CD2 HIS A 15 -4.931 4.202 -7.182 1.00 0.00 C ATOM 200 CE1 HIS A 15 -6.129 2.464 -7.763 1.00 0.00 C ATOM 201 NE2 HIS A 15 -5.197 3.298 -8.181 1.00 0.00 N ATOM 0 H HIS A 15 -5.529 2.430 -3.020 1.00 0.00 H new ATOM 0 HA HIS A 15 -3.783 4.439 -4.327 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -6.811 4.208 -4.334 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -5.925 5.610 -4.899 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -4.213 5.008 -7.223 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -6.541 1.643 -8.330 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -4.747 3.275 -9.096 1.00 0.00 H new ATOM 210 N PHE A 16 -3.880 5.910 -2.372 1.00 0.00 N ATOM 211 CA PHE A 16 -3.850 6.774 -1.198 1.00 0.00 C ATOM 212 C PHE A 16 -4.027 8.226 -1.609 1.00 0.00 C ATOM 213 O PHE A 16 -3.298 8.716 -2.471 1.00 0.00 O ATOM 214 CB PHE A 16 -2.513 6.643 -0.455 1.00 0.00 C ATOM 215 CG PHE A 16 -2.343 5.384 0.352 1.00 0.00 C ATOM 216 CD1 PHE A 16 -3.225 4.325 0.231 1.00 0.00 C ATOM 217 CD2 PHE A 16 -1.294 5.274 1.248 1.00 0.00 C ATOM 218 CE1 PHE A 16 -3.061 3.183 0.985 1.00 0.00 C ATOM 219 CE2 PHE A 16 -1.129 4.135 2.007 1.00 0.00 C ATOM 220 CZ PHE A 16 -2.012 3.087 1.875 1.00 0.00 C ATOM 0 H PHE A 16 -3.121 6.078 -3.033 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.664 6.466 -0.542 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.705 6.699 -1.184 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.401 7.499 0.211 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.051 4.394 -0.462 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.596 6.091 1.354 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.755 2.362 0.879 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.308 4.065 2.705 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.884 2.193 2.467 1.00 0.00 H new ATOM 230 N PRO A 17 -5.007 8.933 -1.026 1.00 0.00 N ATOM 231 CA PRO A 17 -5.136 10.377 -1.210 1.00 0.00 C ATOM 232 C PRO A 17 -3.881 11.098 -0.730 1.00 0.00 C ATOM 233 O PRO A 17 -3.625 11.185 0.473 1.00 0.00 O ATOM 234 CB PRO A 17 -6.338 10.754 -0.340 1.00 0.00 C ATOM 235 CG PRO A 17 -7.102 9.487 -0.184 1.00 0.00 C ATOM 236 CD PRO A 17 -6.077 8.389 -0.172 1.00 0.00 C ATOM 0 HA PRO A 17 -5.267 10.656 -2.256 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.020 11.147 0.626 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.944 11.526 -0.814 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.681 9.491 0.739 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -7.809 9.353 -1.003 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.722 8.178 0.837 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -6.478 7.457 -0.570 1.00 0.00 H new ATOM 244 N LEU A 18 -3.113 11.611 -1.691 1.00 0.00 N ATOM 245 CA LEU A 18 -1.796 12.202 -1.443 1.00 0.00 C ATOM 246 C LEU A 18 -1.843 13.239 -0.322 1.00 0.00 C ATOM 247 O LEU A 18 -0.916 13.339 0.478 1.00 0.00 O ATOM 248 CB LEU A 18 -1.264 12.828 -2.745 1.00 0.00 C ATOM 249 CG LEU A 18 0.220 13.232 -2.752 1.00 0.00 C ATOM 250 CD1 LEU A 18 0.743 13.275 -4.179 1.00 0.00 C ATOM 251 CD2 LEU A 18 0.425 14.588 -2.090 1.00 0.00 C ATOM 0 H LEU A 18 -3.389 11.629 -2.673 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.119 11.412 -1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.429 12.120 -3.557 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.860 13.713 -2.967 1.00 0.00 H new ATOM 0 HG LEU A 18 0.774 12.485 -2.183 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.794 13.562 -4.173 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.638 12.290 -4.635 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.172 14.003 -4.754 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.484 14.846 -2.110 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.144 15.346 -2.629 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.082 14.544 -1.056 1.00 0.00 H new ATOM 263 N LYS A 19 -2.935 13.986 -0.246 1.00 0.00 N ATOM 264 CA LYS A 19 -3.048 15.056 0.739 1.00 0.00 C ATOM 265 C LYS A 19 -3.176 14.504 2.155 1.00 0.00 C ATOM 266 O LYS A 19 -2.604 15.051 3.094 1.00 0.00 O ATOM 267 CB LYS A 19 -4.247 15.961 0.447 1.00 0.00 C ATOM 268 CG LYS A 19 -4.067 16.902 -0.736 1.00 0.00 C ATOM 269 CD LYS A 19 -4.255 16.197 -2.069 1.00 0.00 C ATOM 270 CE LYS A 19 -4.338 17.190 -3.208 1.00 0.00 C ATOM 271 NZ LYS A 19 -5.547 18.054 -3.111 1.00 0.00 N ATOM 0 H LYS A 19 -3.750 13.874 -0.849 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.131 15.641 0.667 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.120 15.335 0.265 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.460 16.555 1.336 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.781 17.721 -0.657 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.071 17.343 -0.698 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.425 15.512 -2.241 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.164 15.596 -2.040 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.445 17.815 -3.209 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.352 16.653 -4.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.813 18.387 -4.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.332 17.508 -2.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.341 18.872 -2.502 1.00 0.00 H new ATOM 285 N ARG A 20 -3.914 13.413 2.305 1.00 0.00 N ATOM 286 CA ARG A 20 -4.226 12.889 3.629 1.00 0.00 C ATOM 287 C ARG A 20 -3.133 11.957 4.128 1.00 0.00 C ATOM 288 O ARG A 20 -2.829 11.932 5.320 1.00 0.00 O ATOM 289 CB ARG A 20 -5.568 12.159 3.633 1.00 0.00 C ATOM 290 CG ARG A 20 -6.787 13.069 3.558 1.00 0.00 C ATOM 291 CD ARG A 20 -6.980 13.674 2.177 1.00 0.00 C ATOM 292 NE ARG A 20 -8.394 13.906 1.888 1.00 0.00 N ATOM 293 CZ ARG A 20 -8.871 14.955 1.216 1.00 0.00 C ATOM 294 NH1 ARG A 20 -8.055 15.923 0.809 1.00 0.00 N ATOM 295 NH2 ARG A 20 -10.171 15.051 0.974 1.00 0.00 N ATOM 0 H ARG A 20 -4.306 12.876 1.532 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.290 13.743 4.303 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.594 11.469 2.789 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.636 11.557 4.539 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.677 12.501 3.830 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.684 13.870 4.290 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.435 14.615 2.111 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.558 13.008 1.424 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.065 13.215 2.225 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.057 15.867 1.010 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.428 16.722 0.296 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.806 14.323 1.302 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.536 15.853 0.460 1.00 0.00 H new ATOM 309 N ILE A 21 -2.534 11.195 3.219 1.00 0.00 N ATOM 310 CA ILE A 21 -1.443 10.306 3.595 1.00 0.00 C ATOM 311 C ILE A 21 -0.237 11.134 4.045 1.00 0.00 C ATOM 312 O ILE A 21 0.607 10.667 4.802 1.00 0.00 O ATOM 313 CB ILE A 21 -1.036 9.361 2.436 1.00 0.00 C ATOM 314 CG1 ILE A 21 0.020 8.355 2.905 1.00 0.00 C ATOM 315 CG2 ILE A 21 -0.523 10.152 1.242 1.00 0.00 C ATOM 316 CD1 ILE A 21 -0.466 7.423 3.995 1.00 0.00 C ATOM 0 H ILE A 21 -2.782 11.175 2.230 1.00 0.00 H new ATOM 0 HA ILE A 21 -1.791 9.681 4.417 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.924 8.811 2.123 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.347 7.761 2.051 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.892 8.900 3.268 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.244 9.465 0.443 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.305 10.823 0.887 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.348 10.735 1.539 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.337 6.740 4.275 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.766 8.006 4.865 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.319 6.850 3.631 1.00 0.00 H new ATOM 328 N ALA A 22 -0.190 12.383 3.592 1.00 0.00 N ATOM 329 CA ALA A 22 0.881 13.300 3.952 1.00 0.00 C ATOM 330 C ALA A 22 0.475 14.191 5.122 1.00 0.00 C ATOM 331 O ALA A 22 1.004 15.291 5.289 1.00 0.00 O ATOM 332 CB ALA A 22 1.262 14.157 2.758 1.00 0.00 C ATOM 0 H ALA A 22 -0.890 12.784 2.968 1.00 0.00 H new ATOM 0 HA ALA A 22 1.742 12.706 4.258 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.064 14.839 3.041 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.600 13.516 1.943 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.395 14.732 2.432 1.00 0.00 H new ATOM 338 N ALA A 23 -0.467 13.719 5.926 1.00 0.00 N ATOM 339 CA ALA A 23 -0.959 14.493 7.055 1.00 0.00 C ATOM 340 C ALA A 23 -1.096 13.620 8.294 1.00 0.00 C ATOM 341 O ALA A 23 -0.958 12.396 8.225 1.00 0.00 O ATOM 342 CB ALA A 23 -2.298 15.128 6.711 1.00 0.00 C ATOM 0 H ALA A 23 -0.905 12.804 5.817 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.236 15.280 7.270 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.657 15.705 7.563 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.178 15.787 5.851 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.020 14.347 6.471 1.00 0.00 H new ATOM 348 N GLU A 24 -1.351 14.261 9.423 1.00 0.00 N ATOM 349 CA GLU A 24 -1.602 13.554 10.664 1.00 0.00 C ATOM 350 C GLU A 24 -3.107 13.507 10.888 1.00 0.00 C ATOM 351 O GLU A 24 -3.801 14.506 10.690 1.00 0.00 O ATOM 352 CB GLU A 24 -0.898 14.245 11.835 1.00 0.00 C ATOM 353 CG GLU A 24 -0.315 13.279 12.861 1.00 0.00 C ATOM 354 CD GLU A 24 -1.347 12.337 13.446 1.00 0.00 C ATOM 355 OE1 GLU A 24 -2.008 12.711 14.436 1.00 0.00 O ATOM 356 OE2 GLU A 24 -1.512 11.220 12.909 1.00 0.00 O ATOM 0 H GLU A 24 -1.389 15.277 9.503 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.205 12.541 10.601 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.097 14.873 11.445 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.607 14.906 12.334 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.477 12.695 12.392 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.145 13.850 13.667 1.00 0.00 H new ATOM 363 N GLY A 25 -3.605 12.358 11.305 1.00 0.00 N ATOM 364 CA GLY A 25 -5.036 12.146 11.331 1.00 0.00 C ATOM 365 C GLY A 25 -5.497 11.523 10.033 1.00 0.00 C ATOM 366 O GLY A 25 -6.647 11.686 9.618 1.00 0.00 O ATOM 0 H GLY A 25 -3.046 11.567 11.626 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.300 11.498 12.167 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.548 13.095 11.489 1.00 0.00 H new ATOM 370 N TYR A 26 -4.578 10.809 9.392 1.00 0.00 N ATOM 371 CA TYR A 26 -4.830 10.178 8.104 1.00 0.00 C ATOM 372 C TYR A 26 -5.922 9.117 8.203 1.00 0.00 C ATOM 373 O TYR A 26 -6.654 8.876 7.247 1.00 0.00 O ATOM 374 CB TYR A 26 -3.538 9.551 7.562 1.00 0.00 C ATOM 375 CG TYR A 26 -2.816 8.669 8.562 1.00 0.00 C ATOM 376 CD1 TYR A 26 -3.118 7.316 8.679 1.00 0.00 C ATOM 377 CD2 TYR A 26 -1.831 9.191 9.390 1.00 0.00 C ATOM 378 CE1 TYR A 26 -2.461 6.513 9.593 1.00 0.00 C ATOM 379 CE2 TYR A 26 -1.170 8.396 10.304 1.00 0.00 C ATOM 380 CZ TYR A 26 -1.489 7.059 10.403 1.00 0.00 C ATOM 381 OH TYR A 26 -0.829 6.263 11.315 1.00 0.00 O ATOM 0 H TYR A 26 -3.637 10.652 9.752 1.00 0.00 H new ATOM 0 HA TYR A 26 -5.175 10.951 7.417 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -3.776 8.961 6.677 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.866 10.347 7.243 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -3.879 6.885 8.045 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.578 10.238 9.317 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -2.708 5.465 9.672 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.406 8.820 10.939 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.174 6.802 11.806 1.00 0.00 H new ATOM 391 N ALA A 27 -6.044 8.503 9.375 1.00 0.00 N ATOM 392 CA ALA A 27 -7.014 7.435 9.586 1.00 0.00 C ATOM 393 C ALA A 27 -8.443 7.973 9.605 1.00 0.00 C ATOM 394 O ALA A 27 -9.404 7.207 9.701 1.00 0.00 O ATOM 395 CB ALA A 27 -6.710 6.687 10.873 1.00 0.00 C ATOM 0 H ALA A 27 -5.481 8.728 10.196 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.932 6.741 8.749 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.444 5.894 11.015 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.712 6.252 10.814 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.756 7.378 11.715 1.00 0.00 H new ATOM 401 N GLU A 28 -8.581 9.292 9.522 1.00 0.00 N ATOM 402 CA GLU A 28 -9.893 9.913 9.448 1.00 0.00 C ATOM 403 C GLU A 28 -10.320 10.110 7.999 1.00 0.00 C ATOM 404 O GLU A 28 -11.465 10.478 7.727 1.00 0.00 O ATOM 405 CB GLU A 28 -9.907 11.251 10.179 1.00 0.00 C ATOM 406 CG GLU A 28 -9.717 11.125 11.678 1.00 0.00 C ATOM 407 CD GLU A 28 -9.954 12.430 12.396 1.00 0.00 C ATOM 408 OE1 GLU A 28 -11.133 12.801 12.591 1.00 0.00 O ATOM 409 OE2 GLU A 28 -8.967 13.098 12.771 1.00 0.00 O ATOM 0 H GLU A 28 -7.800 9.948 9.504 1.00 0.00 H new ATOM 0 HA GLU A 28 -10.602 9.243 9.934 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.119 11.886 9.773 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.854 11.753 9.982 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.400 10.370 12.066 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.705 10.777 11.886 1.00 0.00 H new ATOM 416 N ASP A 29 -9.404 9.865 7.068 1.00 0.00 N ATOM 417 CA ASP A 29 -9.730 9.981 5.654 1.00 0.00 C ATOM 418 C ASP A 29 -10.451 8.733 5.187 1.00 0.00 C ATOM 419 O ASP A 29 -9.879 7.638 5.144 1.00 0.00 O ATOM 420 CB ASP A 29 -8.490 10.216 4.798 1.00 0.00 C ATOM 421 CG ASP A 29 -8.847 10.351 3.328 1.00 0.00 C ATOM 422 OD1 ASP A 29 -9.310 11.440 2.918 1.00 0.00 O ATOM 423 OD2 ASP A 29 -8.682 9.368 2.584 1.00 0.00 O ATOM 0 H ASP A 29 -8.442 9.588 7.265 1.00 0.00 H new ATOM 0 HA ASP A 29 -10.380 10.848 5.536 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.980 11.119 5.134 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.793 9.388 4.930 1.00 0.00 H new ATOM 428 N GLU A 30 -11.698 8.926 4.792 1.00 0.00 N ATOM 429 CA GLU A 30 -12.611 7.831 4.547 1.00 0.00 C ATOM 430 C GLU A 30 -12.122 6.988 3.390 1.00 0.00 C ATOM 431 O GLU A 30 -12.294 5.770 3.382 1.00 0.00 O ATOM 432 CB GLU A 30 -14.001 8.386 4.255 1.00 0.00 C ATOM 433 CG GLU A 30 -15.060 7.322 4.052 1.00 0.00 C ATOM 434 CD GLU A 30 -16.416 7.928 3.785 1.00 0.00 C ATOM 435 OE1 GLU A 30 -17.113 8.289 4.756 1.00 0.00 O ATOM 436 OE2 GLU A 30 -16.783 8.069 2.601 1.00 0.00 O ATOM 0 H GLU A 30 -12.103 9.849 4.633 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.659 7.197 5.432 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.303 9.032 5.079 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.952 9.010 3.362 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.777 6.681 3.217 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.113 6.688 4.937 1.00 0.00 H new ATOM 443 N LEU A 31 -11.488 7.647 2.433 1.00 0.00 N ATOM 444 CA LEU A 31 -10.962 6.977 1.269 1.00 0.00 C ATOM 445 C LEU A 31 -9.795 6.091 1.640 1.00 0.00 C ATOM 446 O LEU A 31 -9.707 4.953 1.200 1.00 0.00 O ATOM 447 CB LEU A 31 -10.491 7.990 0.242 1.00 0.00 C ATOM 448 CG LEU A 31 -11.313 8.040 -1.035 1.00 0.00 C ATOM 449 CD1 LEU A 31 -12.466 9.018 -0.897 1.00 0.00 C ATOM 450 CD2 LEU A 31 -10.420 8.397 -2.200 1.00 0.00 C ATOM 0 H LEU A 31 -11.328 8.654 2.447 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.763 6.368 0.850 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.498 8.979 0.700 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -9.456 7.767 -0.018 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.745 7.057 -1.221 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -13.040 9.037 -1.823 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -13.112 8.706 -0.076 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -12.075 10.015 -0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.012 8.432 -3.115 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.965 9.372 -2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.638 7.645 -2.303 1.00 0.00 H new ATOM 462 N LEU A 32 -8.919 6.605 2.481 1.00 0.00 N ATOM 463 CA LEU A 32 -7.722 5.901 2.837 1.00 0.00 C ATOM 464 C LEU A 32 -8.097 4.632 3.580 1.00 0.00 C ATOM 465 O LEU A 32 -7.539 3.553 3.347 1.00 0.00 O ATOM 466 CB LEU A 32 -6.858 6.823 3.694 1.00 0.00 C ATOM 467 CG LEU A 32 -5.529 6.237 4.127 1.00 0.00 C ATOM 468 CD1 LEU A 32 -4.640 5.989 2.923 1.00 0.00 C ATOM 469 CD2 LEU A 32 -4.836 7.150 5.127 1.00 0.00 C ATOM 0 H LEU A 32 -9.023 7.515 2.929 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.153 5.616 1.952 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.669 7.740 3.137 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.422 7.101 4.584 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.720 5.282 4.616 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.690 5.568 3.253 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.131 5.290 2.246 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.459 6.930 2.404 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.884 6.709 5.424 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.658 8.123 4.669 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.468 7.273 6.006 1.00 0.00 H new ATOM 481 N LEU A 33 -9.095 4.770 4.432 1.00 0.00 N ATOM 482 CA LEU A 33 -9.604 3.661 5.203 1.00 0.00 C ATOM 483 C LEU A 33 -10.361 2.672 4.313 1.00 0.00 C ATOM 484 O LEU A 33 -10.167 1.465 4.428 1.00 0.00 O ATOM 485 CB LEU A 33 -10.512 4.180 6.316 1.00 0.00 C ATOM 486 CG LEU A 33 -10.887 3.151 7.380 1.00 0.00 C ATOM 487 CD1 LEU A 33 -9.637 2.591 8.049 1.00 0.00 C ATOM 488 CD2 LEU A 33 -11.812 3.773 8.412 1.00 0.00 C ATOM 0 H LEU A 33 -9.573 5.654 4.606 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.760 3.132 5.646 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.018 5.020 6.804 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.427 4.565 5.867 1.00 0.00 H new ATOM 0 HG LEU A 33 -11.412 2.328 6.895 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.925 1.860 8.804 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.008 2.111 7.300 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.083 3.402 8.522 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -12.071 3.028 9.164 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -11.310 4.613 8.891 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.720 4.125 7.922 1.00 0.00 H new ATOM 500 N ASN A 34 -11.215 3.181 3.422 1.00 0.00 N ATOM 501 CA ASN A 34 -12.037 2.306 2.582 1.00 0.00 C ATOM 502 C ASN A 34 -11.210 1.648 1.479 1.00 0.00 C ATOM 503 O ASN A 34 -11.546 0.560 1.015 1.00 0.00 O ATOM 504 CB ASN A 34 -13.272 3.044 2.005 1.00 0.00 C ATOM 505 CG ASN A 34 -12.988 4.043 0.880 1.00 0.00 C ATOM 506 OD1 ASN A 34 -12.112 3.852 0.042 1.00 0.00 O ATOM 507 ND2 ASN A 34 -13.750 5.126 0.853 1.00 0.00 N ATOM 0 H ASN A 34 -11.355 4.179 3.264 1.00 0.00 H new ATOM 0 HA ASN A 34 -12.415 1.512 3.226 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -13.976 2.299 1.634 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -13.768 3.574 2.819 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -13.616 5.826 0.123 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -14.471 5.260 1.562 1.00 0.00 H new ATOM 514 N GLN A 35 -10.124 2.298 1.068 1.00 0.00 N ATOM 515 CA GLN A 35 -9.245 1.733 0.052 1.00 0.00 C ATOM 516 C GLN A 35 -8.416 0.602 0.650 1.00 0.00 C ATOM 517 O GLN A 35 -8.309 -0.494 0.077 1.00 0.00 O ATOM 518 CB GLN A 35 -8.338 2.815 -0.547 1.00 0.00 C ATOM 519 CG GLN A 35 -8.851 3.351 -1.879 1.00 0.00 C ATOM 520 CD GLN A 35 -9.089 4.853 -1.903 1.00 0.00 C ATOM 521 OE1 GLN A 35 -9.999 5.321 -2.584 1.00 0.00 O ATOM 522 NE2 GLN A 35 -8.259 5.625 -1.216 1.00 0.00 N ATOM 0 H GLN A 35 -9.834 3.210 1.421 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.858 1.328 -0.753 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -8.249 3.640 0.160 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.337 2.406 -0.687 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -8.134 3.097 -2.659 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.784 2.844 -2.126 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -7.514 5.205 -0.660 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -8.365 6.639 -1.243 1.00 0.00 H new ATOM 531 N MET A 36 -7.877 0.846 1.837 1.00 0.00 N ATOM 532 CA MET A 36 -7.122 -0.179 2.533 1.00 0.00 C ATOM 533 C MET A 36 -8.053 -1.249 3.072 1.00 0.00 C ATOM 534 O MET A 36 -7.669 -2.400 3.189 1.00 0.00 O ATOM 535 CB MET A 36 -6.285 0.421 3.657 1.00 0.00 C ATOM 536 CG MET A 36 -5.126 1.257 3.154 1.00 0.00 C ATOM 537 SD MET A 36 -4.034 0.328 2.064 1.00 0.00 S ATOM 538 CE MET A 36 -3.383 -0.903 3.180 1.00 0.00 C ATOM 0 H MET A 36 -7.949 1.735 2.331 1.00 0.00 H new ATOM 0 HA MET A 36 -6.440 -0.639 1.818 1.00 0.00 H new ATOM 0 HB2 MET A 36 -6.924 1.039 4.288 1.00 0.00 H new ATOM 0 HB3 MET A 36 -5.900 -0.383 4.284 1.00 0.00 H new ATOM 0 HG2 MET A 36 -5.512 2.127 2.622 1.00 0.00 H new ATOM 0 HG3 MET A 36 -4.555 1.631 4.004 1.00 0.00 H new ATOM 0 HE1 MET A 36 -2.625 -1.495 2.667 1.00 0.00 H new ATOM 0 HE2 MET A 36 -2.936 -0.411 4.044 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.190 -1.556 3.512 1.00 0.00 H new ATOM 548 N GLY A 37 -9.282 -0.860 3.387 1.00 0.00 N ATOM 549 CA GLY A 37 -10.285 -1.823 3.804 1.00 0.00 C ATOM 550 C GLY A 37 -10.744 -2.678 2.645 1.00 0.00 C ATOM 551 O GLY A 37 -11.169 -3.817 2.827 1.00 0.00 O ATOM 0 H GLY A 37 -9.603 0.108 3.361 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -9.876 -2.460 4.588 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.139 -1.299 4.232 1.00 0.00 H new ATOM 555 N LYS A 38 -10.662 -2.114 1.449 1.00 0.00 N ATOM 556 CA LYS A 38 -10.972 -2.832 0.224 1.00 0.00 C ATOM 557 C LYS A 38 -9.962 -3.948 0.000 1.00 0.00 C ATOM 558 O LYS A 38 -10.321 -5.053 -0.408 1.00 0.00 O ATOM 559 CB LYS A 38 -10.956 -1.859 -0.948 1.00 0.00 C ATOM 560 CG LYS A 38 -11.267 -2.490 -2.298 1.00 0.00 C ATOM 561 CD LYS A 38 -11.654 -1.435 -3.330 1.00 0.00 C ATOM 562 CE LYS A 38 -10.525 -0.454 -3.606 1.00 0.00 C ATOM 563 NZ LYS A 38 -9.401 -1.090 -4.339 1.00 0.00 N ATOM 0 H LYS A 38 -10.378 -1.145 1.302 1.00 0.00 H new ATOM 0 HA LYS A 38 -11.963 -3.278 0.306 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.680 -1.067 -0.756 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.974 -1.388 -0.999 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.398 -3.045 -2.651 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.080 -3.208 -2.187 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.940 -1.927 -4.260 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.529 -0.889 -2.977 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.908 0.385 -4.187 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.159 -0.048 -2.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.684 -0.372 -4.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.974 -1.830 -3.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.757 -1.514 -5.219 1.00 0.00 H new ATOM 577 N VAL A 39 -8.697 -3.656 0.256 1.00 0.00 N ATOM 578 CA VAL A 39 -7.673 -4.691 0.226 1.00 0.00 C ATOM 579 C VAL A 39 -7.193 -5.001 1.646 1.00 0.00 C ATOM 580 O VAL A 39 -6.123 -4.570 2.087 1.00 0.00 O ATOM 581 CB VAL A 39 -6.494 -4.312 -0.696 1.00 0.00 C ATOM 582 CG1 VAL A 39 -5.934 -2.936 -0.355 1.00 0.00 C ATOM 583 CG2 VAL A 39 -5.400 -5.369 -0.644 1.00 0.00 C ATOM 0 H VAL A 39 -8.356 -2.722 0.485 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.120 -5.592 -0.194 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.878 -4.268 -1.715 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.106 -2.704 -1.025 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.716 -2.186 -0.472 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.579 -2.933 0.676 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.581 -5.078 -1.302 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.030 -5.460 0.377 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.804 -6.327 -0.970 1.00 0.00 H new ATOM 593 N ASN A 40 -8.001 -5.750 2.377 1.00 0.00 N ATOM 594 CA ASN A 40 -7.702 -5.998 3.774 1.00 0.00 C ATOM 595 C ASN A 40 -8.235 -7.338 4.251 1.00 0.00 C ATOM 596 O ASN A 40 -7.707 -7.919 5.197 1.00 0.00 O ATOM 597 CB ASN A 40 -8.285 -4.883 4.634 1.00 0.00 C ATOM 598 CG ASN A 40 -7.242 -4.292 5.559 1.00 0.00 C ATOM 599 OD1 ASN A 40 -7.527 -3.947 6.705 1.00 0.00 O ATOM 600 ND2 ASN A 40 -6.030 -4.137 5.050 1.00 0.00 N ATOM 0 H ASN A 40 -8.855 -6.190 2.033 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.617 -6.022 3.872 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -8.689 -4.100 3.992 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -9.116 -5.273 5.222 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -5.290 -3.718 5.613 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -5.836 -4.437 4.095 1.00 0.00 H new ATOM 607 N ASP A 41 -9.271 -7.835 3.602 1.00 0.00 N ATOM 608 CA ASP A 41 -9.911 -9.059 4.065 1.00 0.00 C ATOM 609 C ASP A 41 -9.279 -10.283 3.424 1.00 0.00 C ATOM 610 O ASP A 41 -9.199 -11.346 4.038 1.00 0.00 O ATOM 611 CB ASP A 41 -11.415 -9.032 3.792 1.00 0.00 C ATOM 612 CG ASP A 41 -12.143 -8.047 4.683 1.00 0.00 C ATOM 613 OD1 ASP A 41 -12.375 -8.368 5.869 1.00 0.00 O ATOM 614 OD2 ASP A 41 -12.475 -6.942 4.209 1.00 0.00 O ATOM 0 H ASP A 41 -9.684 -7.421 2.766 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.760 -9.120 5.143 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.588 -8.771 2.748 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.828 -10.029 3.944 1.00 0.00 H new ATOM 619 N THR A 42 -8.822 -10.128 2.192 1.00 0.00 N ATOM 620 CA THR A 42 -8.146 -11.205 1.486 1.00 0.00 C ATOM 621 C THR A 42 -7.008 -10.654 0.619 1.00 0.00 C ATOM 622 O THR A 42 -7.030 -10.754 -0.608 1.00 0.00 O ATOM 623 CB THR A 42 -9.151 -12.017 0.630 1.00 0.00 C ATOM 624 OG1 THR A 42 -8.465 -12.981 -0.181 1.00 0.00 O ATOM 625 CG2 THR A 42 -10.001 -11.109 -0.250 1.00 0.00 C ATOM 0 H THR A 42 -8.907 -9.263 1.658 1.00 0.00 H new ATOM 0 HA THR A 42 -7.712 -11.878 2.225 1.00 0.00 H new ATOM 0 HB THR A 42 -9.815 -12.539 1.319 1.00 0.00 H new ATOM 0 HG1 THR A 42 -7.882 -12.517 -0.817 1.00 0.00 H new ATOM 0 HG21 THR A 42 -10.693 -11.714 -0.835 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.564 -10.418 0.377 1.00 0.00 H new ATOM 0 HG23 THR A 42 -9.355 -10.545 -0.922 1.00 0.00 H new ATOM 633 N PRO A 43 -5.986 -10.055 1.253 1.00 0.00 N ATOM 634 CA PRO A 43 -4.871 -9.433 0.549 1.00 0.00 C ATOM 635 C PRO A 43 -3.678 -10.367 0.361 1.00 0.00 C ATOM 636 O PRO A 43 -2.567 -9.911 0.079 1.00 0.00 O ATOM 637 CB PRO A 43 -4.514 -8.312 1.503 1.00 0.00 C ATOM 638 CG PRO A 43 -4.680 -8.944 2.842 1.00 0.00 C ATOM 639 CD PRO A 43 -5.835 -9.902 2.717 1.00 0.00 C ATOM 0 HA PRO A 43 -5.130 -9.127 -0.465 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -3.495 -7.959 1.347 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -5.172 -7.452 1.379 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.771 -9.467 3.140 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.880 -8.192 3.605 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.623 -10.855 3.202 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.740 -9.505 3.176 1.00 0.00 H new ATOM 647 N GLU A 44 -3.911 -11.662 0.568 1.00 0.00 N ATOM 648 CA GLU A 44 -2.904 -12.707 0.362 1.00 0.00 C ATOM 649 C GLU A 44 -1.861 -12.734 1.487 1.00 0.00 C ATOM 650 O GLU A 44 -1.437 -13.809 1.914 1.00 0.00 O ATOM 651 CB GLU A 44 -2.232 -12.558 -1.011 1.00 0.00 C ATOM 652 CG GLU A 44 -1.425 -13.771 -1.444 1.00 0.00 C ATOM 653 CD GLU A 44 -2.242 -15.046 -1.455 1.00 0.00 C ATOM 654 OE1 GLU A 44 -3.377 -15.035 -1.980 1.00 0.00 O ATOM 655 OE2 GLU A 44 -1.763 -16.069 -0.920 1.00 0.00 O ATOM 0 H GLU A 44 -4.811 -12.021 0.886 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.424 -13.665 0.386 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.000 -12.360 -1.759 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.576 -11.688 -0.990 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.020 -13.596 -2.441 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.575 -13.895 -0.772 1.00 0.00 H new ATOM 662 N GLU A 45 -1.440 -11.570 1.971 1.00 0.00 N ATOM 663 CA GLU A 45 -0.487 -11.521 3.077 1.00 0.00 C ATOM 664 C GLU A 45 -1.217 -11.639 4.428 1.00 0.00 C ATOM 665 O GLU A 45 -1.659 -12.728 4.797 1.00 0.00 O ATOM 666 CB GLU A 45 0.384 -10.255 3.023 1.00 0.00 C ATOM 667 CG GLU A 45 1.454 -10.233 4.112 1.00 0.00 C ATOM 668 CD GLU A 45 2.048 -8.862 4.371 1.00 0.00 C ATOM 669 OE1 GLU A 45 1.286 -7.880 4.415 1.00 0.00 O ATOM 670 OE2 GLU A 45 3.282 -8.772 4.563 1.00 0.00 O ATOM 0 H GLU A 45 -1.738 -10.659 1.622 1.00 0.00 H new ATOM 0 HA GLU A 45 0.183 -12.375 2.975 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.863 -10.189 2.046 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.252 -9.376 3.126 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.021 -10.610 5.039 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.255 -10.917 3.833 1.00 0.00 H new ATOM 677 N GLU A 46 -1.363 -10.530 5.156 1.00 0.00 N ATOM 678 CA GLU A 46 -2.053 -10.549 6.441 1.00 0.00 C ATOM 679 C GLU A 46 -3.467 -10.000 6.302 1.00 0.00 C ATOM 680 O GLU A 46 -4.405 -10.735 6.008 1.00 0.00 O ATOM 681 CB GLU A 46 -1.287 -9.739 7.496 1.00 0.00 C ATOM 682 CG GLU A 46 0.085 -10.295 7.840 1.00 0.00 C ATOM 683 CD GLU A 46 0.019 -11.691 8.419 1.00 0.00 C ATOM 684 OE1 GLU A 46 -0.311 -11.826 9.616 1.00 0.00 O ATOM 685 OE2 GLU A 46 0.294 -12.658 7.684 1.00 0.00 O ATOM 0 H GLU A 46 -1.014 -9.613 4.877 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.103 -11.587 6.769 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.172 -8.716 7.138 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.885 -9.693 8.406 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.703 -10.307 6.943 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.573 -9.632 8.555 1.00 0.00 H new ATOM 692 N GLY A 47 -3.604 -8.695 6.492 1.00 0.00 N ATOM 693 CA GLY A 47 -4.897 -8.057 6.406 1.00 0.00 C ATOM 694 C GLY A 47 -4.885 -6.692 7.048 1.00 0.00 C ATOM 695 O GLY A 47 -4.221 -5.776 6.561 1.00 0.00 O ATOM 0 H GLY A 47 -2.832 -8.063 6.706 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.190 -7.965 5.360 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.645 -8.682 6.893 1.00 0.00 H new ATOM 699 N MET A 48 -5.590 -6.562 8.158 1.00 0.00 N ATOM 700 CA MET A 48 -5.628 -5.320 8.902 1.00 0.00 C ATOM 701 C MET A 48 -4.220 -4.876 9.335 1.00 0.00 C ATOM 702 O MET A 48 -3.872 -3.702 9.178 1.00 0.00 O ATOM 703 CB MET A 48 -6.587 -5.467 10.092 1.00 0.00 C ATOM 704 CG MET A 48 -6.594 -4.279 11.035 1.00 0.00 C ATOM 705 SD MET A 48 -5.246 -4.332 12.226 1.00 0.00 S ATOM 706 CE MET A 48 -5.291 -2.650 12.815 1.00 0.00 C ATOM 0 H MET A 48 -6.149 -7.312 8.566 1.00 0.00 H new ATOM 0 HA MET A 48 -6.005 -4.528 8.255 1.00 0.00 H new ATOM 0 HB2 MET A 48 -7.597 -5.622 9.713 1.00 0.00 H new ATOM 0 HB3 MET A 48 -6.317 -6.361 10.654 1.00 0.00 H new ATOM 0 HG2 MET A 48 -6.525 -3.359 10.455 1.00 0.00 H new ATOM 0 HG3 MET A 48 -7.544 -4.249 11.568 1.00 0.00 H new ATOM 0 HE1 MET A 48 -4.514 -2.507 13.566 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.120 -1.968 11.982 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.266 -2.445 13.257 1.00 0.00 H new ATOM 716 N PRO A 49 -3.377 -5.795 9.861 1.00 0.00 N ATOM 717 CA PRO A 49 -1.993 -5.466 10.215 1.00 0.00 C ATOM 718 C PRO A 49 -1.208 -4.945 9.020 1.00 0.00 C ATOM 719 O PRO A 49 -0.435 -3.998 9.145 1.00 0.00 O ATOM 720 CB PRO A 49 -1.414 -6.799 10.692 1.00 0.00 C ATOM 721 CG PRO A 49 -2.598 -7.580 11.125 1.00 0.00 C ATOM 722 CD PRO A 49 -3.693 -7.198 10.183 1.00 0.00 C ATOM 0 HA PRO A 49 -1.941 -4.676 10.964 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.874 -7.306 9.893 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.710 -6.656 11.512 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.399 -8.651 11.082 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.867 -7.347 12.155 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.697 -7.826 9.292 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.675 -7.295 10.645 1.00 0.00 H new ATOM 730 N LEU A 50 -1.396 -5.574 7.861 1.00 0.00 N ATOM 731 CA LEU A 50 -0.710 -5.134 6.657 1.00 0.00 C ATOM 732 C LEU A 50 -1.100 -3.702 6.320 1.00 0.00 C ATOM 733 O LEU A 50 -0.253 -2.903 5.939 1.00 0.00 O ATOM 734 CB LEU A 50 -0.910 -6.111 5.480 1.00 0.00 C ATOM 735 CG LEU A 50 -2.094 -5.906 4.539 1.00 0.00 C ATOM 736 CD1 LEU A 50 -1.872 -4.746 3.579 1.00 0.00 C ATOM 737 CD2 LEU A 50 -2.302 -7.174 3.757 1.00 0.00 C ATOM 0 H LEU A 50 -2.010 -6.379 7.735 1.00 0.00 H new ATOM 0 HA LEU A 50 0.362 -5.140 6.852 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.003 -6.089 4.876 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.991 -7.115 5.896 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.972 -5.665 5.138 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.741 -4.639 2.930 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.728 -3.827 4.146 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.988 -4.940 2.972 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.145 -7.048 3.078 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.403 -7.399 3.183 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.509 -7.995 4.443 1.00 0.00 H new ATOM 749 N ARG A 51 -2.378 -3.377 6.480 1.00 0.00 N ATOM 750 CA ARG A 51 -2.841 -2.011 6.305 1.00 0.00 C ATOM 751 C ARG A 51 -2.054 -1.062 7.194 1.00 0.00 C ATOM 752 O ARG A 51 -1.591 -0.020 6.740 1.00 0.00 O ATOM 753 CB ARG A 51 -4.346 -1.905 6.588 1.00 0.00 C ATOM 754 CG ARG A 51 -4.789 -0.548 7.118 1.00 0.00 C ATOM 755 CD ARG A 51 -6.301 -0.365 7.052 1.00 0.00 C ATOM 756 NE ARG A 51 -7.045 -1.457 7.684 1.00 0.00 N ATOM 757 CZ ARG A 51 -7.767 -1.320 8.793 1.00 0.00 C ATOM 758 NH1 ARG A 51 -7.722 -0.187 9.481 1.00 0.00 N ATOM 759 NH2 ARG A 51 -8.519 -2.325 9.225 1.00 0.00 N ATOM 0 H ARG A 51 -3.109 -4.043 6.730 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.673 -1.723 5.267 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.893 -2.120 5.670 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.623 -2.673 7.311 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.457 -0.438 8.150 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.305 0.240 6.542 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.568 0.575 7.536 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.605 -0.284 6.008 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.007 -2.378 7.247 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.133 0.581 9.160 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.276 -0.084 10.331 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.544 -3.203 8.707 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.072 -2.219 10.075 1.00 0.00 H new ATOM 773 N ALA A 52 -1.885 -1.444 8.449 1.00 0.00 N ATOM 774 CA ALA A 52 -1.130 -0.640 9.391 1.00 0.00 C ATOM 775 C ALA A 52 0.308 -0.412 8.915 1.00 0.00 C ATOM 776 O ALA A 52 0.775 0.728 8.903 1.00 0.00 O ATOM 777 CB ALA A 52 -1.145 -1.291 10.765 1.00 0.00 C ATOM 0 H ALA A 52 -2.262 -2.308 8.838 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.609 0.337 9.457 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.575 -0.679 11.464 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.174 -1.379 11.115 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.697 -2.283 10.703 1.00 0.00 H new ATOM 783 N TRP A 53 1.003 -1.473 8.500 1.00 0.00 N ATOM 784 CA TRP A 53 2.399 -1.323 8.091 1.00 0.00 C ATOM 785 C TRP A 53 2.507 -0.616 6.745 1.00 0.00 C ATOM 786 O TRP A 53 3.379 0.229 6.554 1.00 0.00 O ATOM 787 CB TRP A 53 3.174 -2.663 8.107 1.00 0.00 C ATOM 788 CG TRP A 53 2.970 -3.623 6.955 1.00 0.00 C ATOM 789 CD1 TRP A 53 2.341 -4.832 7.015 1.00 0.00 C ATOM 790 CD2 TRP A 53 3.460 -3.501 5.607 1.00 0.00 C ATOM 791 NE1 TRP A 53 2.377 -5.448 5.783 1.00 0.00 N ATOM 792 CE2 TRP A 53 3.057 -4.654 4.909 1.00 0.00 C ATOM 793 CE3 TRP A 53 4.182 -2.528 4.919 1.00 0.00 C ATOM 794 CZ2 TRP A 53 3.357 -4.858 3.567 1.00 0.00 C ATOM 795 CZ3 TRP A 53 4.482 -2.730 3.587 1.00 0.00 C ATOM 796 CH2 TRP A 53 4.071 -3.890 2.923 1.00 0.00 C ATOM 0 H TRP A 53 0.634 -2.422 8.439 1.00 0.00 H new ATOM 0 HA TRP A 53 2.880 -0.689 8.836 1.00 0.00 H new ATOM 0 HB2 TRP A 53 4.238 -2.431 8.162 1.00 0.00 H new ATOM 0 HB3 TRP A 53 2.913 -3.187 9.027 1.00 0.00 H new ATOM 0 HD1 TRP A 53 1.881 -5.246 7.900 1.00 0.00 H new ATOM 0 HE1 TRP A 53 1.962 -6.353 5.561 1.00 0.00 H new ATOM 0 HE3 TRP A 53 4.503 -1.627 5.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 3.036 -5.752 3.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 5.043 -1.980 3.049 1.00 0.00 H new ATOM 0 HH2 TRP A 53 4.323 -4.022 1.881 1.00 0.00 H new ATOM 807 N VAL A 54 1.612 -0.952 5.827 1.00 0.00 N ATOM 808 CA VAL A 54 1.601 -0.342 4.504 1.00 0.00 C ATOM 809 C VAL A 54 1.375 1.158 4.609 1.00 0.00 C ATOM 810 O VAL A 54 2.133 1.946 4.039 1.00 0.00 O ATOM 811 CB VAL A 54 0.517 -0.977 3.614 1.00 0.00 C ATOM 812 CG1 VAL A 54 0.157 -0.074 2.439 1.00 0.00 C ATOM 813 CG2 VAL A 54 0.962 -2.335 3.103 1.00 0.00 C ATOM 0 H VAL A 54 0.880 -1.647 5.975 1.00 0.00 H new ATOM 0 HA VAL A 54 2.573 -0.521 4.045 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.372 -1.105 4.232 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.611 -0.555 1.833 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.219 0.878 2.814 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.044 0.101 1.830 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.179 -2.763 2.477 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.874 -2.222 2.517 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.153 -2.997 3.948 1.00 0.00 H new ATOM 823 N ILE A 55 0.336 1.548 5.342 1.00 0.00 N ATOM 824 CA ILE A 55 0.042 2.956 5.551 1.00 0.00 C ATOM 825 C ILE A 55 1.226 3.680 6.191 1.00 0.00 C ATOM 826 O ILE A 55 1.582 4.777 5.766 1.00 0.00 O ATOM 827 CB ILE A 55 -1.230 3.144 6.406 1.00 0.00 C ATOM 828 CG1 ILE A 55 -2.459 2.693 5.607 1.00 0.00 C ATOM 829 CG2 ILE A 55 -1.381 4.590 6.857 1.00 0.00 C ATOM 830 CD1 ILE A 55 -3.768 2.865 6.340 1.00 0.00 C ATOM 0 H ILE A 55 -0.313 0.908 5.799 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.139 3.397 4.571 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.142 2.529 7.302 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.500 3.257 4.675 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.340 1.643 5.340 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.285 4.691 7.457 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.515 4.877 7.454 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.451 5.238 5.983 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.587 2.523 5.707 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.750 2.279 7.259 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.913 3.917 6.584 1.00 0.00 H new ATOM 842 N LYS A 56 1.852 3.059 7.192 1.00 0.00 N ATOM 843 CA LYS A 56 3.020 3.657 7.836 1.00 0.00 C ATOM 844 C LYS A 56 4.179 3.807 6.852 1.00 0.00 C ATOM 845 O LYS A 56 4.760 4.887 6.725 1.00 0.00 O ATOM 846 CB LYS A 56 3.477 2.827 9.035 1.00 0.00 C ATOM 847 CG LYS A 56 2.517 2.856 10.210 1.00 0.00 C ATOM 848 CD LYS A 56 3.082 2.095 11.397 1.00 0.00 C ATOM 849 CE LYS A 56 2.102 2.060 12.556 1.00 0.00 C ATOM 850 NZ LYS A 56 0.841 1.359 12.194 1.00 0.00 N ATOM 0 H LYS A 56 1.574 2.153 7.570 1.00 0.00 H new ATOM 0 HA LYS A 56 2.721 4.646 8.183 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.614 1.793 8.717 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.450 3.191 9.365 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.320 3.889 10.497 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.563 2.419 9.915 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.325 1.076 11.095 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.012 2.562 11.720 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.564 1.560 13.407 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.874 3.079 12.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.555 0.734 12.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.092 2.059 12.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.993 0.793 11.335 1.00 0.00 H new ATOM 864 N CYS A 57 4.499 2.725 6.149 1.00 0.00 N ATOM 865 CA CYS A 57 5.604 2.731 5.200 1.00 0.00 C ATOM 866 C CYS A 57 5.366 3.744 4.085 1.00 0.00 C ATOM 867 O CYS A 57 6.259 4.515 3.744 1.00 0.00 O ATOM 868 CB CYS A 57 5.813 1.334 4.608 1.00 0.00 C ATOM 869 SG CYS A 57 6.280 0.080 5.825 1.00 0.00 S ATOM 0 H CYS A 57 4.008 1.834 6.219 1.00 0.00 H new ATOM 0 HA CYS A 57 6.505 3.023 5.740 1.00 0.00 H new ATOM 0 HB2 CYS A 57 4.894 1.020 4.112 1.00 0.00 H new ATOM 0 HB3 CYS A 57 6.586 1.388 3.842 1.00 0.00 H new ATOM 0 HG CYS A 57 5.250 -0.215 6.561 1.00 0.00 H new ATOM 875 N ALA A 58 4.159 3.750 3.532 1.00 0.00 N ATOM 876 CA ALA A 58 3.811 4.683 2.467 1.00 0.00 C ATOM 877 C ALA A 58 3.828 6.120 2.977 1.00 0.00 C ATOM 878 O ALA A 58 4.258 7.032 2.273 1.00 0.00 O ATOM 879 CB ALA A 58 2.448 4.342 1.886 1.00 0.00 C ATOM 0 H ALA A 58 3.405 3.119 3.803 1.00 0.00 H new ATOM 0 HA ALA A 58 4.558 4.593 1.678 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.204 5.048 1.092 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.469 3.331 1.479 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.693 4.402 2.670 1.00 0.00 H new ATOM 885 N HIS A 59 3.365 6.306 4.208 1.00 0.00 N ATOM 886 CA HIS A 59 3.361 7.616 4.846 1.00 0.00 C ATOM 887 C HIS A 59 4.779 8.172 4.900 1.00 0.00 C ATOM 888 O HIS A 59 5.039 9.286 4.448 1.00 0.00 O ATOM 889 CB HIS A 59 2.783 7.495 6.264 1.00 0.00 C ATOM 890 CG HIS A 59 2.445 8.798 6.930 1.00 0.00 C ATOM 891 ND1 HIS A 59 1.660 8.877 8.061 1.00 0.00 N ATOM 892 CD2 HIS A 59 2.782 10.073 6.624 1.00 0.00 C ATOM 893 CE1 HIS A 59 1.527 10.140 8.418 1.00 0.00 C ATOM 894 NE2 HIS A 59 2.199 10.885 7.566 1.00 0.00 N ATOM 0 H HIS A 59 2.984 5.558 4.788 1.00 0.00 H new ATOM 0 HA HIS A 59 2.741 8.299 4.266 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.882 6.883 6.221 1.00 0.00 H new ATOM 0 HB3 HIS A 59 3.501 6.962 6.887 1.00 0.00 H new ATOM 0 HD2 HIS A 59 3.395 10.392 5.794 1.00 0.00 H new ATOM 0 HE1 HIS A 59 0.963 10.501 9.265 1.00 0.00 H new ATOM 0 HE2 HIS A 59 2.275 11.902 7.600 1.00 0.00 H new ATOM 903 N GLU A 60 5.692 7.375 5.434 1.00 0.00 N ATOM 904 CA GLU A 60 7.080 7.786 5.565 1.00 0.00 C ATOM 905 C GLU A 60 7.759 7.886 4.202 1.00 0.00 C ATOM 906 O GLU A 60 8.532 8.809 3.956 1.00 0.00 O ATOM 907 CB GLU A 60 7.832 6.812 6.468 1.00 0.00 C ATOM 908 CG GLU A 60 7.317 6.809 7.899 1.00 0.00 C ATOM 909 CD GLU A 60 8.030 5.807 8.776 1.00 0.00 C ATOM 910 OE1 GLU A 60 9.228 6.008 9.066 1.00 0.00 O ATOM 911 OE2 GLU A 60 7.394 4.820 9.195 1.00 0.00 O ATOM 0 H GLU A 60 5.495 6.437 5.784 1.00 0.00 H new ATOM 0 HA GLU A 60 7.100 8.777 6.019 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.750 5.806 6.056 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.891 7.070 6.469 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.434 7.806 8.325 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.250 6.587 7.896 1.00 0.00 H new ATOM 918 N ALA A 61 7.455 6.942 3.317 1.00 0.00 N ATOM 919 CA ALA A 61 8.028 6.935 1.975 1.00 0.00 C ATOM 920 C ALA A 61 7.686 8.218 1.228 1.00 0.00 C ATOM 921 O ALA A 61 8.530 8.796 0.553 1.00 0.00 O ATOM 922 CB ALA A 61 7.549 5.724 1.188 1.00 0.00 C ATOM 0 H ALA A 61 6.814 6.171 3.505 1.00 0.00 H new ATOM 0 HA ALA A 61 9.112 6.876 2.077 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.989 5.741 0.191 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.852 4.812 1.703 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.462 5.750 1.105 1.00 0.00 H new ATOM 928 N LEU A 62 6.446 8.666 1.365 1.00 0.00 N ATOM 929 CA LEU A 62 6.010 9.885 0.707 1.00 0.00 C ATOM 930 C LEU A 62 6.654 11.106 1.351 1.00 0.00 C ATOM 931 O LEU A 62 7.147 11.985 0.664 1.00 0.00 O ATOM 932 CB LEU A 62 4.491 10.030 0.769 1.00 0.00 C ATOM 933 CG LEU A 62 3.929 11.185 -0.063 1.00 0.00 C ATOM 934 CD1 LEU A 62 3.626 10.732 -1.481 1.00 0.00 C ATOM 935 CD2 LEU A 62 2.690 11.760 0.587 1.00 0.00 C ATOM 0 H LEU A 62 5.728 8.204 1.924 1.00 0.00 H new ATOM 0 HA LEU A 62 6.319 9.820 -0.336 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.036 9.100 0.430 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.194 10.170 1.808 1.00 0.00 H new ATOM 0 HG LEU A 62 4.686 11.967 -0.109 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.228 11.570 -2.053 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.541 10.373 -1.952 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.891 9.927 -1.457 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.307 12.580 -0.021 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.929 10.984 0.670 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.940 12.131 1.581 1.00 0.00 H new ATOM 947 N GLU A 63 6.655 11.148 2.675 1.00 0.00 N ATOM 948 CA GLU A 63 7.134 12.318 3.408 1.00 0.00 C ATOM 949 C GLU A 63 8.635 12.545 3.242 1.00 0.00 C ATOM 950 O GLU A 63 9.093 13.690 3.246 1.00 0.00 O ATOM 951 CB GLU A 63 6.796 12.172 4.890 1.00 0.00 C ATOM 952 CG GLU A 63 5.340 12.454 5.213 1.00 0.00 C ATOM 953 CD GLU A 63 5.039 13.936 5.279 1.00 0.00 C ATOM 954 OE1 GLU A 63 4.920 14.580 4.220 1.00 0.00 O ATOM 955 OE2 GLU A 63 4.930 14.467 6.403 1.00 0.00 O ATOM 0 H GLU A 63 6.329 10.385 3.268 1.00 0.00 H new ATOM 0 HA GLU A 63 6.629 13.188 2.989 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.041 11.160 5.212 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.425 12.851 5.466 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.707 11.991 4.456 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.086 11.992 6.167 1.00 0.00 H new ATOM 962 N LYS A 64 9.404 11.472 3.104 1.00 0.00 N ATOM 963 CA LYS A 64 10.857 11.602 3.008 1.00 0.00 C ATOM 964 C LYS A 64 11.287 12.002 1.600 1.00 0.00 C ATOM 965 O LYS A 64 12.368 12.559 1.407 1.00 0.00 O ATOM 966 CB LYS A 64 11.557 10.309 3.434 1.00 0.00 C ATOM 967 CG LYS A 64 11.225 9.866 4.856 1.00 0.00 C ATOM 968 CD LYS A 64 11.358 11.002 5.864 1.00 0.00 C ATOM 969 CE LYS A 64 12.773 11.557 5.919 1.00 0.00 C ATOM 970 NZ LYS A 64 12.863 12.759 6.792 1.00 0.00 N ATOM 0 H LYS A 64 9.055 10.515 3.056 1.00 0.00 H new ATOM 0 HA LYS A 64 11.158 12.395 3.692 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.281 9.513 2.742 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.635 10.446 3.349 1.00 0.00 H new ATOM 0 HG2 LYS A 64 10.207 9.476 4.884 1.00 0.00 H new ATOM 0 HG3 LYS A 64 11.887 9.049 5.143 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.666 11.802 5.601 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.071 10.644 6.853 1.00 0.00 H new ATOM 0 HE2 LYS A 64 13.451 10.788 6.289 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.102 11.814 4.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.843 13.107 6.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.235 13.503 6.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.574 12.508 7.759 1.00 0.00 H new ATOM 984 N ASN A 65 10.434 11.720 0.626 1.00 0.00 N ATOM 985 CA ASN A 65 10.659 12.161 -0.744 1.00 0.00 C ATOM 986 C ASN A 65 9.332 12.595 -1.371 1.00 0.00 C ATOM 987 O ASN A 65 8.812 11.953 -2.287 1.00 0.00 O ATOM 988 CB ASN A 65 11.351 11.071 -1.586 1.00 0.00 C ATOM 989 CG ASN A 65 10.731 9.685 -1.456 1.00 0.00 C ATOM 990 OD1 ASN A 65 11.181 8.855 -0.661 1.00 0.00 O ATOM 991 ND2 ASN A 65 9.699 9.427 -2.236 1.00 0.00 N ATOM 0 H ASN A 65 9.576 11.185 0.760 1.00 0.00 H new ATOM 0 HA ASN A 65 11.334 13.017 -0.726 1.00 0.00 H new ATOM 0 HB2 ASN A 65 11.327 11.369 -2.634 1.00 0.00 H new ATOM 0 HB3 ASN A 65 12.400 11.015 -1.294 1.00 0.00 H new ATOM 0 HD21 ASN A 65 9.244 8.515 -2.195 1.00 0.00 H new ATOM 0 HD22 ASN A 65 9.356 10.139 -2.880 1.00 0.00 H new ATOM 998 N PRO A 66 8.778 13.726 -0.895 1.00 0.00 N ATOM 999 CA PRO A 66 7.411 14.157 -1.221 1.00 0.00 C ATOM 1000 C PRO A 66 7.296 14.797 -2.602 1.00 0.00 C ATOM 1001 O PRO A 66 6.735 15.883 -2.759 1.00 0.00 O ATOM 1002 CB PRO A 66 7.121 15.172 -0.116 1.00 0.00 C ATOM 1003 CG PRO A 66 8.443 15.801 0.143 1.00 0.00 C ATOM 1004 CD PRO A 66 9.452 14.692 -0.001 1.00 0.00 C ATOM 0 HA PRO A 66 6.710 13.324 -1.263 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.383 15.909 -0.433 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.726 14.689 0.778 1.00 0.00 H new ATOM 0 HG2 PRO A 66 8.640 16.605 -0.566 1.00 0.00 H new ATOM 0 HG3 PRO A 66 8.481 16.239 1.141 1.00 0.00 H new ATOM 0 HD2 PRO A 66 10.386 15.053 -0.431 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.697 14.244 0.962 1.00 0.00 H new ATOM 1012 N LYS A 67 7.826 14.108 -3.599 1.00 0.00 N ATOM 1013 CA LYS A 67 7.767 14.560 -4.982 1.00 0.00 C ATOM 1014 C LYS A 67 7.554 13.362 -5.896 1.00 0.00 C ATOM 1015 O LYS A 67 7.976 13.356 -7.050 1.00 0.00 O ATOM 1016 CB LYS A 67 9.058 15.290 -5.373 1.00 0.00 C ATOM 1017 CG LYS A 67 9.324 16.558 -4.576 1.00 0.00 C ATOM 1018 CD LYS A 67 10.581 17.290 -5.039 1.00 0.00 C ATOM 1019 CE LYS A 67 11.858 16.506 -4.754 1.00 0.00 C ATOM 1020 NZ LYS A 67 12.151 15.484 -5.796 1.00 0.00 N ATOM 0 H LYS A 67 8.310 13.219 -3.474 1.00 0.00 H new ATOM 0 HA LYS A 67 6.935 15.257 -5.088 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.900 14.610 -5.244 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.012 15.543 -6.432 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.466 17.225 -4.665 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.423 16.305 -3.520 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.510 17.484 -6.109 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.636 18.259 -4.542 1.00 0.00 H new ATOM 0 HE2 LYS A 67 12.697 17.199 -4.685 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.769 16.015 -3.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.091 14.534 -5.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.459 15.567 -6.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 13.108 15.636 -6.172 1.00 0.00 H new ATOM 1034 N ILE A 68 6.906 12.338 -5.360 1.00 0.00 N ATOM 1035 CA ILE A 68 6.672 11.109 -6.101 1.00 0.00 C ATOM 1036 C ILE A 68 5.201 10.945 -6.451 1.00 0.00 C ATOM 1037 O ILE A 68 4.389 11.843 -6.229 1.00 0.00 O ATOM 1038 CB ILE A 68 7.134 9.870 -5.313 1.00 0.00 C ATOM 1039 CG1 ILE A 68 6.473 9.832 -3.929 1.00 0.00 C ATOM 1040 CG2 ILE A 68 8.652 9.862 -5.202 1.00 0.00 C ATOM 1041 CD1 ILE A 68 6.664 8.522 -3.197 1.00 0.00 C ATOM 0 H ILE A 68 6.532 12.335 -4.411 1.00 0.00 H new ATOM 0 HA ILE A 68 7.258 11.187 -7.017 1.00 0.00 H new ATOM 0 HB ILE A 68 6.826 8.973 -5.849 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.879 10.640 -3.320 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.406 10.023 -4.041 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.971 8.982 -4.643 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.090 9.836 -6.200 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.984 10.761 -4.683 1.00 0.00 H new ATOM 0 HD11 ILE A 68 6.169 8.572 -2.227 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.232 7.711 -3.784 1.00 0.00 H new ATOM 0 HD13 ILE A 68 7.729 8.338 -3.052 1.00 0.00 H new ATOM 1053 N ARG A 69 4.876 9.781 -6.980 1.00 0.00 N ATOM 1054 CA ARG A 69 3.543 9.502 -7.493 1.00 0.00 C ATOM 1055 C ARG A 69 3.019 8.175 -6.966 1.00 0.00 C ATOM 1056 O ARG A 69 1.841 8.051 -6.644 1.00 0.00 O ATOM 1057 CB ARG A 69 3.581 9.472 -9.022 1.00 0.00 C ATOM 1058 CG ARG A 69 2.346 8.877 -9.676 1.00 0.00 C ATOM 1059 CD ARG A 69 2.527 8.778 -11.180 1.00 0.00 C ATOM 1060 NE ARG A 69 1.534 7.909 -11.799 1.00 0.00 N ATOM 1061 CZ ARG A 69 1.147 8.005 -13.069 1.00 0.00 C ATOM 1062 NH1 ARG A 69 1.668 8.939 -13.859 1.00 0.00 N ATOM 1063 NH2 ARG A 69 0.243 7.165 -13.553 1.00 0.00 N ATOM 0 H ARG A 69 5.527 9.000 -7.068 1.00 0.00 H new ATOM 0 HA ARG A 69 2.871 10.291 -7.155 1.00 0.00 H new ATOM 0 HB2 ARG A 69 3.715 10.490 -9.389 1.00 0.00 H new ATOM 0 HB3 ARG A 69 4.454 8.901 -9.339 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.151 7.887 -9.263 1.00 0.00 H new ATOM 0 HG3 ARG A 69 1.476 9.494 -9.450 1.00 0.00 H new ATOM 0 HD2 ARG A 69 2.460 9.774 -11.618 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.525 8.400 -11.400 1.00 0.00 H new ATOM 0 HE ARG A 69 1.109 7.182 -11.223 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.367 9.585 -13.492 1.00 0.00 H new ATOM 0 HH12 ARG A 69 1.369 9.009 -14.832 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -0.157 6.444 -12.952 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -0.053 7.239 -14.526 1.00 0.00 H new ATOM 1077 N GLU A 70 3.894 7.182 -6.893 1.00 0.00 N ATOM 1078 CA GLU A 70 3.497 5.852 -6.468 1.00 0.00 C ATOM 1079 C GLU A 70 4.716 5.015 -6.101 1.00 0.00 C ATOM 1080 O GLU A 70 5.828 5.293 -6.551 1.00 0.00 O ATOM 1081 CB GLU A 70 2.696 5.183 -7.585 1.00 0.00 C ATOM 1082 CG GLU A 70 3.409 5.202 -8.930 1.00 0.00 C ATOM 1083 CD GLU A 70 2.528 4.740 -10.069 1.00 0.00 C ATOM 1084 OE1 GLU A 70 1.545 5.441 -10.388 1.00 0.00 O ATOM 1085 OE2 GLU A 70 2.822 3.682 -10.662 1.00 0.00 O ATOM 0 H GLU A 70 4.883 7.275 -7.123 1.00 0.00 H new ATOM 0 HA GLU A 70 2.872 5.932 -5.578 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.489 4.150 -7.306 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.734 5.686 -7.684 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.760 6.213 -9.136 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.291 4.564 -8.877 1.00 0.00 H new ATOM 1092 N VAL A 71 4.503 4.001 -5.274 1.00 0.00 N ATOM 1093 CA VAL A 71 5.571 3.116 -4.845 1.00 0.00 C ATOM 1094 C VAL A 71 5.109 1.670 -4.914 1.00 0.00 C ATOM 1095 O VAL A 71 3.909 1.390 -4.887 1.00 0.00 O ATOM 1096 CB VAL A 71 6.041 3.422 -3.401 1.00 0.00 C ATOM 1097 CG1 VAL A 71 6.704 4.787 -3.321 1.00 0.00 C ATOM 1098 CG2 VAL A 71 4.876 3.343 -2.423 1.00 0.00 C ATOM 0 H VAL A 71 3.589 3.771 -4.884 1.00 0.00 H new ATOM 0 HA VAL A 71 6.411 3.281 -5.520 1.00 0.00 H new ATOM 0 HB VAL A 71 6.777 2.667 -3.125 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.024 4.976 -2.296 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.570 4.810 -3.982 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.994 5.555 -3.627 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.231 3.562 -1.416 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.114 4.070 -2.705 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.448 2.341 -2.447 1.00 0.00 H new ATOM 1108 N TYR A 72 6.052 0.756 -5.019 1.00 0.00 N ATOM 1109 CA TYR A 72 5.735 -0.658 -5.003 1.00 0.00 C ATOM 1110 C TYR A 72 6.258 -1.281 -3.720 1.00 0.00 C ATOM 1111 O TYR A 72 7.445 -1.198 -3.410 1.00 0.00 O ATOM 1112 CB TYR A 72 6.285 -1.374 -6.245 1.00 0.00 C ATOM 1113 CG TYR A 72 7.709 -1.005 -6.615 1.00 0.00 C ATOM 1114 CD1 TYR A 72 7.973 0.119 -7.389 1.00 0.00 C ATOM 1115 CD2 TYR A 72 8.782 -1.785 -6.202 1.00 0.00 C ATOM 1116 CE1 TYR A 72 9.265 0.457 -7.738 1.00 0.00 C ATOM 1117 CE2 TYR A 72 10.076 -1.455 -6.549 1.00 0.00 C ATOM 1118 CZ TYR A 72 10.315 -0.334 -7.317 1.00 0.00 C ATOM 1119 OH TYR A 72 11.607 -0.009 -7.667 1.00 0.00 O ATOM 0 H TYR A 72 7.045 0.967 -5.116 1.00 0.00 H new ATOM 0 HA TYR A 72 4.652 -0.775 -5.032 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.235 -2.450 -6.078 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.636 -1.152 -7.092 1.00 0.00 H new ATOM 0 HD1 TYR A 72 7.154 0.738 -7.723 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.600 -2.663 -5.600 1.00 0.00 H new ATOM 0 HE1 TYR A 72 9.453 1.336 -8.337 1.00 0.00 H new ATOM 0 HE2 TYR A 72 10.899 -2.072 -6.220 1.00 0.00 H new ATOM 0 HH TYR A 72 12.224 -0.669 -7.288 1.00 0.00 H new ATOM 1129 N LEU A 73 5.359 -1.883 -2.970 1.00 0.00 N ATOM 1130 CA LEU A 73 5.680 -2.404 -1.655 1.00 0.00 C ATOM 1131 C LEU A 73 5.762 -3.918 -1.645 1.00 0.00 C ATOM 1132 O LEU A 73 4.924 -4.612 -2.225 1.00 0.00 O ATOM 1133 CB LEU A 73 4.631 -1.960 -0.636 1.00 0.00 C ATOM 1134 CG LEU A 73 4.993 -0.725 0.182 1.00 0.00 C ATOM 1135 CD1 LEU A 73 3.862 -0.369 1.135 1.00 0.00 C ATOM 1136 CD2 LEU A 73 6.285 -0.971 0.947 1.00 0.00 C ATOM 0 H LEU A 73 4.389 -2.025 -3.252 1.00 0.00 H new ATOM 0 HA LEU A 73 6.658 -2.004 -1.388 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.697 -1.764 -1.163 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.443 -2.786 0.050 1.00 0.00 H new ATOM 0 HG LEU A 73 5.143 0.116 -0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.136 0.515 1.711 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.956 -0.163 0.564 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.682 -1.203 1.813 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.538 -0.085 1.529 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.155 -1.821 1.617 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.090 -1.184 0.243 1.00 0.00 H new ATOM 1148 N LYS A 74 6.782 -4.416 -0.969 1.00 0.00 N ATOM 1149 CA LYS A 74 6.966 -5.837 -0.781 1.00 0.00 C ATOM 1150 C LYS A 74 6.524 -6.224 0.624 1.00 0.00 C ATOM 1151 O LYS A 74 7.076 -5.722 1.607 1.00 0.00 O ATOM 1152 CB LYS A 74 8.436 -6.209 -0.978 1.00 0.00 C ATOM 1153 CG LYS A 74 8.718 -7.696 -0.838 1.00 0.00 C ATOM 1154 CD LYS A 74 8.189 -8.484 -2.023 1.00 0.00 C ATOM 1155 CE LYS A 74 8.540 -9.950 -1.904 1.00 0.00 C ATOM 1156 NZ LYS A 74 8.352 -10.671 -3.190 1.00 0.00 N ATOM 0 H LYS A 74 7.505 -3.842 -0.536 1.00 0.00 H new ATOM 0 HA LYS A 74 6.365 -6.374 -1.515 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.755 -5.880 -1.967 1.00 0.00 H new ATOM 0 HB3 LYS A 74 9.039 -5.665 -0.251 1.00 0.00 H new ATOM 0 HG2 LYS A 74 9.792 -7.855 -0.746 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.261 -8.068 0.079 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.107 -8.370 -2.085 1.00 0.00 H new ATOM 0 HD3 LYS A 74 8.605 -8.081 -2.946 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.576 -10.050 -1.580 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.919 -10.411 -1.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 9.208 -11.220 -3.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.538 -11.314 -3.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.178 -9.984 -3.951 1.00 0.00 H new ATOM 1170 N PRO A 75 5.495 -7.083 0.725 1.00 0.00 N ATOM 1171 CA PRO A 75 5.011 -7.620 1.997 1.00 0.00 C ATOM 1172 C PRO A 75 6.129 -7.973 2.967 1.00 0.00 C ATOM 1173 O PRO A 75 7.132 -8.582 2.584 1.00 0.00 O ATOM 1174 CB PRO A 75 4.273 -8.876 1.560 1.00 0.00 C ATOM 1175 CG PRO A 75 3.700 -8.515 0.239 1.00 0.00 C ATOM 1176 CD PRO A 75 4.690 -7.580 -0.405 1.00 0.00 C ATOM 0 HA PRO A 75 4.403 -6.897 2.541 1.00 0.00 H new ATOM 0 HB2 PRO A 75 4.948 -9.729 1.483 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.494 -9.149 2.272 1.00 0.00 H new ATOM 0 HG2 PRO A 75 3.546 -9.403 -0.375 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.728 -8.035 0.354 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.308 -8.097 -1.139 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.189 -6.765 -0.927 1.00 0.00 H new ATOM 1184 N ARG A 76 5.941 -7.583 4.230 1.00 0.00 N ATOM 1185 CA ARG A 76 6.901 -7.889 5.281 1.00 0.00 C ATOM 1186 C ARG A 76 6.998 -9.394 5.451 1.00 0.00 C ATOM 1187 O ARG A 76 8.007 -9.919 5.919 1.00 0.00 O ATOM 1188 CB ARG A 76 6.493 -7.243 6.603 1.00 0.00 C ATOM 1189 CG ARG A 76 6.390 -5.727 6.539 1.00 0.00 C ATOM 1190 CD ARG A 76 6.097 -5.128 7.906 1.00 0.00 C ATOM 1191 NE ARG A 76 7.166 -5.399 8.868 1.00 0.00 N ATOM 1192 CZ ARG A 76 7.138 -5.010 10.146 1.00 0.00 C ATOM 1193 NH1 ARG A 76 6.095 -4.338 10.620 1.00 0.00 N ATOM 1194 NH2 ARG A 76 8.157 -5.298 10.946 1.00 0.00 N ATOM 0 H ARG A 76 5.128 -7.053 4.545 1.00 0.00 H new ATOM 0 HA ARG A 76 7.872 -7.486 4.993 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.531 -7.650 6.914 1.00 0.00 H new ATOM 0 HB3 ARG A 76 7.218 -7.517 7.369 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.322 -5.314 6.152 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.602 -5.444 5.841 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.963 -4.051 7.808 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.158 -5.533 8.285 1.00 0.00 H new ATOM 0 HE ARG A 76 7.983 -5.917 8.543 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.310 -4.116 10.008 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.079 -4.044 11.596 1.00 0.00 H new ATOM 0 HH21 ARG A 76 8.959 -5.815 10.585 1.00 0.00 H new ATOM 0 HH22 ARG A 76 8.138 -5.002 11.922 1.00 0.00 H new ATOM 1208 N ALA A 77 5.927 -10.080 5.085 1.00 0.00 N ATOM 1209 CA ALA A 77 5.965 -11.518 4.954 1.00 0.00 C ATOM 1210 C ALA A 77 6.533 -11.859 3.585 1.00 0.00 C ATOM 1211 O ALA A 77 5.829 -12.350 2.705 1.00 0.00 O ATOM 1212 CB ALA A 77 4.579 -12.117 5.136 1.00 0.00 C ATOM 0 H ALA A 77 5.022 -9.659 4.874 1.00 0.00 H new ATOM 0 HA ALA A 77 6.600 -11.943 5.731 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.635 -13.201 5.033 1.00 0.00 H new ATOM 0 HB2 ALA A 77 4.201 -11.866 6.127 1.00 0.00 H new ATOM 0 HB3 ALA A 77 3.906 -11.714 4.379 1.00 0.00 H new ATOM 1218 N VAL A 78 7.818 -11.566 3.412 1.00 0.00 N ATOM 1219 CA VAL A 78 8.503 -11.740 2.130 1.00 0.00 C ATOM 1220 C VAL A 78 8.409 -13.185 1.640 1.00 0.00 C ATOM 1221 O VAL A 78 8.491 -13.457 0.442 1.00 0.00 O ATOM 1222 CB VAL A 78 9.990 -11.328 2.240 1.00 0.00 C ATOM 1223 CG1 VAL A 78 10.671 -11.354 0.879 1.00 0.00 C ATOM 1224 CG2 VAL A 78 10.126 -9.952 2.876 1.00 0.00 C ATOM 0 H VAL A 78 8.416 -11.202 4.154 1.00 0.00 H new ATOM 0 HA VAL A 78 8.005 -11.094 1.407 1.00 0.00 H new ATOM 0 HB VAL A 78 10.487 -12.055 2.882 1.00 0.00 H new ATOM 0 HG11 VAL A 78 11.715 -11.060 0.989 1.00 0.00 H new ATOM 0 HG12 VAL A 78 10.619 -12.361 0.466 1.00 0.00 H new ATOM 0 HG13 VAL A 78 10.167 -10.660 0.207 1.00 0.00 H new ATOM 0 HG21 VAL A 78 11.181 -9.685 2.942 1.00 0.00 H new ATOM 0 HG22 VAL A 78 9.603 -9.216 2.266 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.692 -9.969 3.876 1.00 0.00 H new ATOM 1234 N LYS A 79 8.194 -14.099 2.580 1.00 0.00 N ATOM 1235 CA LYS A 79 8.049 -15.521 2.278 1.00 0.00 C ATOM 1236 C LYS A 79 6.843 -15.761 1.371 1.00 0.00 C ATOM 1237 O LYS A 79 6.780 -16.760 0.655 1.00 0.00 O ATOM 1238 CB LYS A 79 7.898 -16.341 3.568 1.00 0.00 C ATOM 1239 CG LYS A 79 9.136 -16.359 4.461 1.00 0.00 C ATOM 1240 CD LYS A 79 9.363 -15.025 5.162 1.00 0.00 C ATOM 1241 CE LYS A 79 10.583 -15.064 6.067 1.00 0.00 C ATOM 1242 NZ LYS A 79 11.827 -15.373 5.316 1.00 0.00 N ATOM 0 H LYS A 79 8.115 -13.877 3.572 1.00 0.00 H new ATOM 0 HA LYS A 79 8.952 -15.844 1.759 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.060 -15.942 4.140 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.643 -17.367 3.302 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.031 -17.146 5.208 1.00 0.00 H new ATOM 0 HG3 LYS A 79 10.011 -16.605 3.860 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.488 -14.239 4.417 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.482 -14.769 5.750 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.692 -14.103 6.569 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.434 -15.814 6.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.653 -15.176 5.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.828 -16.377 5.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 11.872 -14.783 4.461 1.00 0.00 H new ATOM 1256 N ASN A 80 5.887 -14.833 1.414 1.00 0.00 N ATOM 1257 CA ASN A 80 4.683 -14.909 0.586 1.00 0.00 C ATOM 1258 C ASN A 80 5.046 -14.768 -0.896 1.00 0.00 C ATOM 1259 O ASN A 80 4.262 -15.112 -1.778 1.00 0.00 O ATOM 1260 CB ASN A 80 3.700 -13.818 1.016 1.00 0.00 C ATOM 1261 CG ASN A 80 2.274 -14.114 0.606 1.00 0.00 C ATOM 1262 OD1 ASN A 80 1.886 -15.270 0.432 1.00 0.00 O ATOM 1263 ND2 ASN A 80 1.472 -13.072 0.473 1.00 0.00 N ATOM 0 H ASN A 80 5.924 -14.013 2.019 1.00 0.00 H new ATOM 0 HA ASN A 80 4.210 -15.881 0.722 1.00 0.00 H new ATOM 0 HB2 ASN A 80 3.745 -13.702 2.099 1.00 0.00 H new ATOM 0 HB3 ASN A 80 4.008 -12.867 0.581 1.00 0.00 H new ATOM 0 HD21 ASN A 80 0.494 -13.210 0.218 1.00 0.00 H new ATOM 0 HD22 ASN A 80 1.831 -12.129 0.626 1.00 0.00 H new ATOM 1270 N SER A 81 6.249 -14.244 -1.139 1.00 0.00 N ATOM 1271 CA SER A 81 6.909 -14.242 -2.451 1.00 0.00 C ATOM 1272 C SER A 81 6.151 -13.464 -3.535 1.00 0.00 C ATOM 1273 O SER A 81 6.268 -12.242 -3.611 1.00 0.00 O ATOM 1274 CB SER A 81 7.241 -15.675 -2.918 1.00 0.00 C ATOM 1275 OG SER A 81 6.084 -16.492 -3.031 1.00 0.00 O ATOM 0 H SER A 81 6.807 -13.797 -0.412 1.00 0.00 H new ATOM 0 HA SER A 81 7.843 -13.700 -2.303 1.00 0.00 H new ATOM 0 HB2 SER A 81 7.747 -15.631 -3.883 1.00 0.00 H new ATOM 0 HB3 SER A 81 7.937 -16.131 -2.214 1.00 0.00 H new ATOM 0 HG SER A 81 6.002 -16.818 -3.952 1.00 0.00 H new ATOM 1281 N SER A 82 5.364 -14.164 -4.350 1.00 0.00 N ATOM 1282 CA SER A 82 4.805 -13.593 -5.575 1.00 0.00 C ATOM 1283 C SER A 82 3.603 -12.684 -5.304 1.00 0.00 C ATOM 1284 O SER A 82 2.526 -12.858 -5.877 1.00 0.00 O ATOM 1285 CB SER A 82 4.418 -14.726 -6.525 1.00 0.00 C ATOM 1286 OG SER A 82 5.498 -15.635 -6.694 1.00 0.00 O ATOM 0 H SER A 82 5.097 -15.134 -4.183 1.00 0.00 H new ATOM 0 HA SER A 82 5.570 -12.966 -6.033 1.00 0.00 H new ATOM 0 HB2 SER A 82 3.550 -15.255 -6.132 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.130 -14.313 -7.492 1.00 0.00 H new ATOM 0 HG SER A 82 5.229 -16.353 -7.304 1.00 0.00 H new ATOM 1292 N VAL A 83 3.802 -11.718 -4.432 1.00 0.00 N ATOM 1293 CA VAL A 83 2.775 -10.756 -4.085 1.00 0.00 C ATOM 1294 C VAL A 83 3.399 -9.375 -3.892 1.00 0.00 C ATOM 1295 O VAL A 83 4.448 -9.246 -3.255 1.00 0.00 O ATOM 1296 CB VAL A 83 2.035 -11.186 -2.801 1.00 0.00 C ATOM 1297 CG1 VAL A 83 3.031 -11.449 -1.688 1.00 0.00 C ATOM 1298 CG2 VAL A 83 1.006 -10.144 -2.380 1.00 0.00 C ATOM 0 H VAL A 83 4.685 -11.577 -3.941 1.00 0.00 H new ATOM 0 HA VAL A 83 2.052 -10.712 -4.900 1.00 0.00 H new ATOM 0 HB VAL A 83 1.495 -12.110 -3.009 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.498 -11.752 -0.787 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.713 -12.244 -1.990 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.599 -10.541 -1.486 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.502 -10.476 -1.473 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.506 -9.194 -2.190 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.273 -10.015 -3.176 1.00 0.00 H new ATOM 1308 N GLN A 84 2.778 -8.352 -4.460 1.00 0.00 N ATOM 1309 CA GLN A 84 3.253 -6.984 -4.294 1.00 0.00 C ATOM 1310 C GLN A 84 2.087 -6.031 -4.100 1.00 0.00 C ATOM 1311 O GLN A 84 1.013 -6.222 -4.678 1.00 0.00 O ATOM 1312 CB GLN A 84 4.067 -6.530 -5.509 1.00 0.00 C ATOM 1313 CG GLN A 84 5.294 -7.377 -5.792 1.00 0.00 C ATOM 1314 CD GLN A 84 6.118 -6.820 -6.930 1.00 0.00 C ATOM 1315 OE1 GLN A 84 7.050 -6.045 -6.718 1.00 0.00 O ATOM 1316 NE2 GLN A 84 5.770 -7.197 -8.152 1.00 0.00 N ATOM 0 H GLN A 84 1.944 -8.442 -5.040 1.00 0.00 H new ATOM 0 HA GLN A 84 3.891 -6.968 -3.410 1.00 0.00 H new ATOM 0 HB2 GLN A 84 3.422 -6.541 -6.388 1.00 0.00 H new ATOM 0 HB3 GLN A 84 4.380 -5.497 -5.356 1.00 0.00 H new ATOM 0 HG2 GLN A 84 5.909 -7.435 -4.894 1.00 0.00 H new ATOM 0 HG3 GLN A 84 4.984 -8.394 -6.033 1.00 0.00 H new ATOM 0 HE21 GLN A 84 4.991 -7.842 -8.284 1.00 0.00 H new ATOM 0 HE22 GLN A 84 6.282 -6.843 -8.960 1.00 0.00 H new ATOM 1325 N PHE A 85 2.298 -5.011 -3.288 1.00 0.00 N ATOM 1326 CA PHE A 85 1.312 -3.960 -3.120 1.00 0.00 C ATOM 1327 C PHE A 85 1.786 -2.698 -3.815 1.00 0.00 C ATOM 1328 O PHE A 85 2.806 -2.123 -3.454 1.00 0.00 O ATOM 1329 CB PHE A 85 1.051 -3.651 -1.649 1.00 0.00 C ATOM 1330 CG PHE A 85 0.410 -4.774 -0.882 1.00 0.00 C ATOM 1331 CD1 PHE A 85 -0.932 -5.071 -1.060 1.00 0.00 C ATOM 1332 CD2 PHE A 85 1.143 -5.520 0.027 1.00 0.00 C ATOM 1333 CE1 PHE A 85 -1.531 -6.091 -0.344 1.00 0.00 C ATOM 1334 CE2 PHE A 85 0.550 -6.541 0.745 1.00 0.00 C ATOM 1335 CZ PHE A 85 -0.789 -6.827 0.558 1.00 0.00 C ATOM 0 H PHE A 85 3.145 -4.888 -2.734 1.00 0.00 H new ATOM 0 HA PHE A 85 0.380 -4.312 -3.563 1.00 0.00 H new ATOM 0 HB2 PHE A 85 1.996 -3.394 -1.171 1.00 0.00 H new ATOM 0 HB3 PHE A 85 0.411 -2.771 -1.583 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -1.516 -4.499 -1.766 1.00 0.00 H new ATOM 0 HD2 PHE A 85 2.190 -5.301 0.176 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -2.578 -6.312 -0.490 1.00 0.00 H new ATOM 0 HE2 PHE A 85 1.132 -7.115 1.451 1.00 0.00 H new ATOM 0 HZ PHE A 85 -1.254 -7.625 1.117 1.00 0.00 H new ATOM 1345 N HIS A 86 1.042 -2.268 -4.804 1.00 0.00 N ATOM 1346 CA HIS A 86 1.401 -1.087 -5.562 1.00 0.00 C ATOM 1347 C HIS A 86 0.620 0.101 -5.026 1.00 0.00 C ATOM 1348 O HIS A 86 -0.558 0.261 -5.327 1.00 0.00 O ATOM 1349 CB HIS A 86 1.104 -1.308 -7.048 1.00 0.00 C ATOM 1350 CG HIS A 86 1.555 -0.196 -7.948 1.00 0.00 C ATOM 1351 ND1 HIS A 86 0.869 0.175 -9.086 1.00 0.00 N ATOM 1352 CD2 HIS A 86 2.640 0.615 -7.889 1.00 0.00 C ATOM 1353 CE1 HIS A 86 1.510 1.158 -9.682 1.00 0.00 C ATOM 1354 NE2 HIS A 86 2.585 1.446 -8.977 1.00 0.00 N ATOM 0 H HIS A 86 0.179 -2.719 -5.107 1.00 0.00 H new ATOM 0 HA HIS A 86 2.468 -0.889 -5.457 1.00 0.00 H new ATOM 0 HB2 HIS A 86 1.584 -2.233 -7.367 1.00 0.00 H new ATOM 0 HB3 HIS A 86 0.030 -1.446 -7.174 1.00 0.00 H new ATOM 0 HD1 HIS A 86 0.000 -0.247 -9.414 1.00 0.00 H new ATOM 0 HD2 HIS A 86 3.405 0.607 -7.127 1.00 0.00 H new ATOM 0 HE1 HIS A 86 1.206 1.647 -10.596 1.00 0.00 H new ATOM 1363 N VAL A 87 1.282 0.936 -4.245 1.00 0.00 N ATOM 1364 CA VAL A 87 0.617 2.055 -3.604 1.00 0.00 C ATOM 1365 C VAL A 87 0.712 3.287 -4.483 1.00 0.00 C ATOM 1366 O VAL A 87 1.795 3.825 -4.708 1.00 0.00 O ATOM 1367 CB VAL A 87 1.221 2.362 -2.216 1.00 0.00 C ATOM 1368 CG1 VAL A 87 0.481 3.511 -1.547 1.00 0.00 C ATOM 1369 CG2 VAL A 87 1.193 1.123 -1.334 1.00 0.00 C ATOM 0 H VAL A 87 2.278 0.860 -4.040 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.428 1.780 -3.463 1.00 0.00 H new ATOM 0 HB VAL A 87 2.260 2.661 -2.356 1.00 0.00 H new ATOM 0 HG11 VAL A 87 0.924 3.710 -0.571 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.557 4.403 -2.168 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.568 3.244 -1.422 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.623 1.360 -0.361 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.163 0.791 -1.205 1.00 0.00 H new ATOM 0 HG23 VAL A 87 1.774 0.329 -1.804 1.00 0.00 H new ATOM 1379 N ILE A 88 -0.430 3.711 -4.985 1.00 0.00 N ATOM 1380 CA ILE A 88 -0.511 4.852 -5.870 1.00 0.00 C ATOM 1381 C ILE A 88 -1.059 6.054 -5.121 1.00 0.00 C ATOM 1382 O ILE A 88 -1.989 5.924 -4.325 1.00 0.00 O ATOM 1383 CB ILE A 88 -1.411 4.525 -7.079 1.00 0.00 C ATOM 1384 CG1 ILE A 88 -0.798 3.385 -7.895 1.00 0.00 C ATOM 1385 CG2 ILE A 88 -1.622 5.754 -7.949 1.00 0.00 C ATOM 1386 CD1 ILE A 88 -1.686 2.888 -9.014 1.00 0.00 C ATOM 0 H ILE A 88 -1.330 3.272 -4.789 1.00 0.00 H new ATOM 0 HA ILE A 88 0.490 5.088 -6.232 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.386 4.208 -6.708 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.149 3.722 -8.317 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.572 2.554 -7.227 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.260 5.496 -8.794 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.098 6.539 -7.361 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.659 6.109 -8.316 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.183 2.081 -9.546 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -2.624 2.519 -8.598 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.892 3.705 -9.705 1.00 0.00 H new ATOM 1398 N PHE A 89 -0.486 7.220 -5.374 1.00 0.00 N ATOM 1399 CA PHE A 89 -0.883 8.418 -4.666 1.00 0.00 C ATOM 1400 C PHE A 89 -1.777 9.291 -5.536 1.00 0.00 C ATOM 1401 O PHE A 89 -1.318 9.921 -6.493 1.00 0.00 O ATOM 1402 CB PHE A 89 0.350 9.183 -4.215 1.00 0.00 C ATOM 1403 CG PHE A 89 1.072 8.445 -3.141 1.00 0.00 C ATOM 1404 CD1 PHE A 89 0.523 8.358 -1.877 1.00 0.00 C ATOM 1405 CD2 PHE A 89 2.271 7.804 -3.400 1.00 0.00 C ATOM 1406 CE1 PHE A 89 1.154 7.644 -0.887 1.00 0.00 C ATOM 1407 CE2 PHE A 89 2.911 7.095 -2.409 1.00 0.00 C ATOM 1408 CZ PHE A 89 2.346 7.014 -1.152 1.00 0.00 C ATOM 0 H PHE A 89 0.253 7.358 -6.063 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.458 8.131 -3.785 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.016 9.340 -5.064 1.00 0.00 H new ATOM 0 HB3 PHE A 89 0.058 10.168 -3.851 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.411 8.856 -1.664 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.707 7.861 -4.386 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.714 7.578 0.097 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.851 6.604 -2.614 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.843 6.453 -0.374 1.00 0.00 H new ATOM 1418 N ASP A 90 -3.059 9.307 -5.202 1.00 0.00 N ATOM 1419 CA ASP A 90 -4.046 10.078 -5.946 1.00 0.00 C ATOM 1420 C ASP A 90 -4.185 11.472 -5.369 1.00 0.00 C ATOM 1421 O ASP A 90 -4.247 11.648 -4.149 1.00 0.00 O ATOM 1422 CB ASP A 90 -5.413 9.388 -5.923 1.00 0.00 C ATOM 1423 CG ASP A 90 -5.554 8.319 -6.985 1.00 0.00 C ATOM 1424 OD1 ASP A 90 -5.677 8.677 -8.176 1.00 0.00 O ATOM 1425 OD2 ASP A 90 -5.561 7.122 -6.636 1.00 0.00 O ATOM 0 H ASP A 90 -3.444 8.789 -4.412 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.697 10.146 -6.976 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -5.571 8.941 -4.942 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.194 10.136 -6.062 1.00 0.00 H new ATOM 1430 N GLU A 91 -4.234 12.466 -6.236 1.00 0.00 N ATOM 1431 CA GLU A 91 -4.456 13.826 -5.796 1.00 0.00 C ATOM 1432 C GLU A 91 -5.950 14.107 -5.783 1.00 0.00 C ATOM 1433 O GLU A 91 -6.596 14.155 -6.832 1.00 0.00 O ATOM 1434 CB GLU A 91 -3.732 14.807 -6.714 1.00 0.00 C ATOM 1435 CG GLU A 91 -2.242 14.533 -6.830 1.00 0.00 C ATOM 1436 CD GLU A 91 -1.546 15.487 -7.774 1.00 0.00 C ATOM 1437 OE1 GLU A 91 -1.621 15.271 -9.003 1.00 0.00 O ATOM 1438 OE2 GLU A 91 -0.921 16.456 -7.294 1.00 0.00 O ATOM 0 H GLU A 91 -4.123 12.356 -7.244 1.00 0.00 H new ATOM 0 HA GLU A 91 -4.058 13.952 -4.789 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -4.181 14.764 -7.706 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -3.880 15.820 -6.341 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.785 14.607 -5.843 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -2.090 13.511 -7.176 1.00 0.00 H new ATOM 1445 N GLU A 92 -6.483 14.300 -4.592 1.00 0.00 N ATOM 1446 CA GLU A 92 -7.910 14.479 -4.400 1.00 0.00 C ATOM 1447 C GLU A 92 -8.180 15.858 -3.831 1.00 0.00 C ATOM 1448 O GLU A 92 -7.460 16.254 -2.897 1.00 0.00 O ATOM 1449 CB GLU A 92 -8.455 13.403 -3.458 1.00 0.00 C ATOM 1450 CG GLU A 92 -8.277 11.981 -3.976 1.00 0.00 C ATOM 1451 CD GLU A 92 -9.082 11.708 -5.231 1.00 0.00 C ATOM 1452 OE1 GLU A 92 -10.325 11.610 -5.133 1.00 0.00 O ATOM 1453 OE2 GLU A 92 -8.486 11.578 -6.318 1.00 0.00 O ATOM 1454 OXT GLU A 92 -9.106 16.539 -4.314 1.00 0.00 O ATOM 0 H GLU A 92 -5.939 14.337 -3.730 1.00 0.00 H new ATOM 0 HA GLU A 92 -8.414 14.386 -5.362 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -7.957 13.493 -2.493 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -9.516 13.587 -3.287 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -7.221 11.803 -4.181 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -8.574 11.276 -3.199 1.00 0.00 H new TER 1461 GLU A 92