USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1053 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 130 THR OG1 : rot 118:sc= -1.09 USER MOD Set 1.2: A 135 LYS NZ :NH3+ -145:sc= 1.28 (180deg=0) USER MOD Single : A 10 MET CE :methyl -125:sc= -1.78 (180deg=-3.18!) USER MOD Single : A 19 CYS SG : rot 49:sc= 0.271 USER MOD Single : A 20 TYR OH : rot 139:sc= -3.42! USER MOD Single : A 21 CYS SG : rot 180:sc= 0.128 USER MOD Single : A 23 SER OG : rot 171:sc= 1.2 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN :FLIP amide:sc= -0.356 F(o=-0.99,f=-0.36) USER MOD Single : A 31 MET CE :methyl -151:sc= -0.675 (180deg=-2.66!) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0.24) USER MOD Single : A 37 GLN : amide:sc= -0.327 K(o=-0.33,f=-2.1!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 CYS SG : rot 130:sc= -4.08 USER MOD Single : A 47 SER OG : rot 52:sc= 0.219 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= -0.0204 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot -88:sc= -0.469 USER MOD Single : A 72 MET CE :methyl -103:sc= -0.114 (180deg=-1.39) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.587 X(o=-0.59,f=-0.59) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 164:sc=-0.00407 (180deg=-0.0976) USER MOD Single : A 86 CYS SG : rot -21:sc= -1.73! USER MOD Single : A 89 GLN :FLIP amide:sc= -4.47! C(o=-7.6!,f=-4.5!) USER MOD Single : A 90 THR OG1 : rot 77:sc= 1.04 USER MOD Single : A 91 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0524) USER MOD Single : A 95 SER OG : rot -67:sc= 0.777 USER MOD Single : A 97 SER OG : rot -140:sc= -0.795 USER MOD Single : A 101 HIS : no HE2:sc= -0.639 K(o=-0.64,f=-1.3) USER MOD Single : A 102 GLN : amide:sc= -3.56! C(o=-3.6!,f=-5.2!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 152:sc= -1.22 (180deg=-1.84) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0595) USER MOD Single : A 113 MET CE :methyl -114:sc= -4.56! (180deg=-9.99!) USER MOD Single : A 114 LYS NZ :NH3+ -158:sc= -0.0736 (180deg=-0.431) USER MOD Single : A 115 LYS NZ :NH3+ 153:sc= -2.15 (180deg=-3.46!) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 CYS SG : rot 180:sc= 0 USER MOD Single : A 129 TYR OH : rot 95:sc= 1.86 USER MOD Single : A 131 ASN : amide:sc= -1.03 K(o=-1,f=-3.6!) USER MOD Single : A 133 CYS SG : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 SER OG : rot 47:sc= -0.399 USER MOD ----------------------------------------------------------------- ATOM 19 N MET A 10 -6.562 -12.097 -13.266 1.00 0.00 N ATOM 20 CA MET A 10 -6.206 -12.141 -11.849 1.00 0.00 C ATOM 21 C MET A 10 -5.482 -13.444 -11.508 1.00 0.00 C ATOM 22 O MET A 10 -6.101 -14.507 -11.450 1.00 0.00 O ATOM 23 CB MET A 10 -7.467 -12.007 -10.993 1.00 0.00 C ATOM 24 CG MET A 10 -7.226 -11.400 -9.619 1.00 0.00 C ATOM 25 SD MET A 10 -8.456 -10.156 -9.188 1.00 0.00 S ATOM 26 CE MET A 10 -9.462 -11.067 -8.020 1.00 0.00 C ATOM 0 HA MET A 10 -5.533 -11.310 -11.637 1.00 0.00 H new ATOM 0 HB2 MET A 10 -8.192 -11.393 -11.527 1.00 0.00 H new ATOM 0 HB3 MET A 10 -7.915 -12.993 -10.869 1.00 0.00 H new ATOM 0 HG2 MET A 10 -7.236 -12.191 -8.869 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.234 -10.949 -9.594 1.00 0.00 H new ATOM 0 HE1 MET A 10 -10.503 -11.047 -8.343 1.00 0.00 H new ATOM 0 HE2 MET A 10 -9.117 -12.100 -7.971 1.00 0.00 H new ATOM 0 HE3 MET A 10 -9.379 -10.610 -7.034 1.00 0.00 H new ATOM 36 N PRO A 11 -4.156 -13.387 -11.276 1.00 0.00 N ATOM 37 CA PRO A 11 -3.361 -14.574 -10.941 1.00 0.00 C ATOM 38 C PRO A 11 -3.700 -15.131 -9.561 1.00 0.00 C ATOM 39 O PRO A 11 -4.705 -14.756 -8.958 1.00 0.00 O ATOM 40 CB PRO A 11 -1.921 -14.058 -10.966 1.00 0.00 C ATOM 41 CG PRO A 11 -2.040 -12.603 -10.680 1.00 0.00 C ATOM 42 CD PRO A 11 -3.326 -12.167 -11.321 1.00 0.00 C ATOM 0 HA PRO A 11 -3.547 -15.395 -11.634 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.307 -14.560 -10.219 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.453 -14.235 -11.934 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.054 -12.415 -9.606 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.192 -12.053 -11.089 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.789 -11.345 -10.776 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.170 -11.824 -12.344 1.00 0.00 H new ATOM 50 N GLU A 12 -2.851 -16.029 -9.071 1.00 0.00 N ATOM 51 CA GLU A 12 -3.050 -16.640 -7.761 1.00 0.00 C ATOM 52 C GLU A 12 -2.090 -16.049 -6.731 1.00 0.00 C ATOM 53 O GLU A 12 -2.368 -16.060 -5.533 1.00 0.00 O ATOM 54 CB GLU A 12 -2.856 -18.155 -7.848 1.00 0.00 C ATOM 55 CG GLU A 12 -3.857 -18.844 -8.762 1.00 0.00 C ATOM 56 CD GLU A 12 -3.617 -20.338 -8.867 1.00 0.00 C ATOM 57 OE1 GLU A 12 -2.445 -20.740 -9.023 1.00 0.00 O ATOM 58 OE2 GLU A 12 -4.600 -21.104 -8.794 1.00 0.00 O ATOM 0 H GLU A 12 -2.017 -16.350 -9.562 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.070 -16.429 -7.441 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.847 -18.364 -8.204 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.936 -18.581 -6.848 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.866 -18.667 -8.389 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.802 -18.400 -9.756 1.00 0.00 H new ATOM 65 N ARG A 13 -0.960 -15.534 -7.207 1.00 0.00 N ATOM 66 CA ARG A 13 0.038 -14.934 -6.330 1.00 0.00 C ATOM 67 C ARG A 13 0.250 -13.465 -6.684 1.00 0.00 C ATOM 68 O ARG A 13 0.417 -13.118 -7.853 1.00 0.00 O ATOM 69 CB ARG A 13 1.364 -15.692 -6.434 1.00 0.00 C ATOM 70 CG ARG A 13 1.230 -17.193 -6.230 1.00 0.00 C ATOM 71 CD ARG A 13 0.505 -17.522 -4.933 1.00 0.00 C ATOM 72 NE ARG A 13 1.138 -16.898 -3.775 1.00 0.00 N ATOM 73 CZ ARG A 13 0.939 -17.292 -2.518 1.00 0.00 C ATOM 74 NH1 ARG A 13 0.129 -18.311 -2.256 1.00 0.00 N ATOM 75 NH2 ARG A 13 1.552 -16.667 -1.523 1.00 0.00 N ATOM 0 H ARG A 13 -0.713 -15.521 -8.197 1.00 0.00 H new ATOM 0 HA ARG A 13 -0.326 -14.998 -5.305 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.802 -15.506 -7.414 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.058 -15.295 -5.694 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.688 -17.628 -7.070 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.220 -17.649 -6.219 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.530 -17.189 -5.003 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.483 -18.603 -4.795 1.00 0.00 H new ATOM 0 HE ARG A 13 1.770 -16.114 -3.938 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.344 -18.796 -3.019 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.020 -18.609 -1.292 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.176 -15.884 -1.720 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.400 -16.968 -0.561 1.00 0.00 H new ATOM 89 N PHE A 14 0.238 -12.605 -5.670 1.00 0.00 N ATOM 90 CA PHE A 14 0.424 -11.175 -5.884 1.00 0.00 C ATOM 91 C PHE A 14 1.628 -10.652 -5.109 1.00 0.00 C ATOM 92 O PHE A 14 2.304 -11.404 -4.411 1.00 0.00 O ATOM 93 CB PHE A 14 -0.835 -10.412 -5.476 1.00 0.00 C ATOM 94 CG PHE A 14 -1.856 -10.327 -6.573 1.00 0.00 C ATOM 95 CD1 PHE A 14 -1.546 -9.714 -7.776 1.00 0.00 C ATOM 96 CD2 PHE A 14 -3.121 -10.862 -6.403 1.00 0.00 C ATOM 97 CE1 PHE A 14 -2.481 -9.636 -8.789 1.00 0.00 C ATOM 98 CE2 PHE A 14 -4.061 -10.787 -7.413 1.00 0.00 C ATOM 99 CZ PHE A 14 -3.740 -10.174 -8.608 1.00 0.00 C ATOM 0 H PHE A 14 0.102 -12.873 -4.695 1.00 0.00 H new ATOM 0 HA PHE A 14 0.610 -11.016 -6.946 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.282 -10.899 -4.609 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.557 -9.404 -5.168 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.563 -9.293 -7.923 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -3.376 -11.343 -5.471 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.228 -9.155 -9.722 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -5.045 -11.207 -7.268 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.472 -10.115 -9.400 1.00 0.00 H new ATOM 109 N ASP A 15 1.890 -9.356 -5.246 1.00 0.00 N ATOM 110 CA ASP A 15 3.014 -8.729 -4.566 1.00 0.00 C ATOM 111 C ASP A 15 2.550 -7.919 -3.360 1.00 0.00 C ATOM 112 O ASP A 15 2.937 -8.205 -2.226 1.00 0.00 O ATOM 113 CB ASP A 15 3.784 -7.827 -5.533 1.00 0.00 C ATOM 114 CG ASP A 15 5.067 -7.291 -4.926 1.00 0.00 C ATOM 115 OD1 ASP A 15 5.803 -8.081 -4.301 1.00 0.00 O ATOM 116 OD2 ASP A 15 5.334 -6.079 -5.076 1.00 0.00 O ATOM 0 H ASP A 15 1.338 -8.721 -5.822 1.00 0.00 H new ATOM 0 HA ASP A 15 3.673 -9.522 -4.212 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.020 -8.387 -6.438 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.149 -6.992 -5.830 1.00 0.00 H new ATOM 121 N ALA A 16 1.728 -6.903 -3.606 1.00 0.00 N ATOM 122 CA ALA A 16 1.230 -6.057 -2.527 1.00 0.00 C ATOM 123 C ALA A 16 -0.190 -5.564 -2.792 1.00 0.00 C ATOM 124 O ALA A 16 -0.762 -5.812 -3.854 1.00 0.00 O ATOM 125 CB ALA A 16 2.160 -4.870 -2.317 1.00 0.00 C ATOM 0 H ALA A 16 1.395 -6.647 -4.535 1.00 0.00 H new ATOM 0 HA ALA A 16 1.204 -6.666 -1.623 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.777 -4.246 -1.509 1.00 0.00 H new ATOM 0 HB2 ALA A 16 3.156 -5.229 -2.057 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.214 -4.283 -3.234 1.00 0.00 H new ATOM 131 N PHE A 17 -0.742 -4.855 -1.813 1.00 0.00 N ATOM 132 CA PHE A 17 -2.087 -4.303 -1.920 1.00 0.00 C ATOM 133 C PHE A 17 -2.066 -2.797 -1.677 1.00 0.00 C ATOM 134 O PHE A 17 -1.178 -2.282 -0.997 1.00 0.00 O ATOM 135 CB PHE A 17 -3.022 -4.988 -0.919 1.00 0.00 C ATOM 136 CG PHE A 17 -4.430 -4.465 -0.955 1.00 0.00 C ATOM 137 CD1 PHE A 17 -4.792 -3.356 -0.207 1.00 0.00 C ATOM 138 CD2 PHE A 17 -5.393 -5.084 -1.737 1.00 0.00 C ATOM 139 CE1 PHE A 17 -6.085 -2.874 -0.238 1.00 0.00 C ATOM 140 CE2 PHE A 17 -6.689 -4.606 -1.772 1.00 0.00 C ATOM 141 CZ PHE A 17 -7.036 -3.499 -1.021 1.00 0.00 C ATOM 0 H PHE A 17 -0.274 -4.648 -0.930 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.458 -4.486 -2.928 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.036 -6.059 -1.122 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.621 -4.859 0.086 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.053 -2.863 0.408 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.127 -5.950 -2.326 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.353 -2.008 0.350 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.430 -5.097 -2.386 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.048 -3.123 -1.046 1.00 0.00 H new ATOM 151 N ILE A 18 -3.040 -2.092 -2.244 1.00 0.00 N ATOM 152 CA ILE A 18 -3.121 -0.642 -2.094 1.00 0.00 C ATOM 153 C ILE A 18 -4.301 -0.230 -1.220 1.00 0.00 C ATOM 154 O ILE A 18 -5.453 -0.540 -1.523 1.00 0.00 O ATOM 155 CB ILE A 18 -3.249 0.057 -3.467 1.00 0.00 C ATOM 156 CG1 ILE A 18 -2.029 -0.250 -4.336 1.00 0.00 C ATOM 157 CG2 ILE A 18 -3.416 1.562 -3.294 1.00 0.00 C ATOM 158 CD1 ILE A 18 -0.747 0.369 -3.818 1.00 0.00 C ATOM 0 H ILE A 18 -3.783 -2.500 -2.811 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.195 -0.329 -1.611 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.138 -0.329 -3.966 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.901 -1.331 -4.400 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.214 0.110 -5.348 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -3.504 2.033 -4.273 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -4.315 1.764 -2.712 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.548 1.967 -2.773 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.077 0.110 -4.483 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.856 1.453 -3.780 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.538 -0.010 -2.818 1.00 0.00 H new ATOM 170 N CYS A 19 -4.004 0.495 -0.147 1.00 0.00 N ATOM 171 CA CYS A 19 -5.034 0.981 0.764 1.00 0.00 C ATOM 172 C CYS A 19 -5.107 2.502 0.693 1.00 0.00 C ATOM 173 O CYS A 19 -4.324 3.201 1.338 1.00 0.00 O ATOM 174 CB CYS A 19 -4.737 0.533 2.197 1.00 0.00 C ATOM 175 SG CYS A 19 -5.615 -0.966 2.698 1.00 0.00 S ATOM 0 H CYS A 19 -3.054 0.760 0.114 1.00 0.00 H new ATOM 0 HA CYS A 19 -5.995 0.562 0.465 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -3.665 0.365 2.299 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -4.999 1.341 2.881 1.00 0.00 H new ATOM 0 HG CYS A 19 -5.473 -1.879 1.783 1.00 0.00 H new ATOM 181 N TYR A 20 -6.037 3.009 -0.109 1.00 0.00 N ATOM 182 CA TYR A 20 -6.195 4.450 -0.279 1.00 0.00 C ATOM 183 C TYR A 20 -7.610 4.904 0.062 1.00 0.00 C ATOM 184 O TYR A 20 -8.492 4.084 0.325 1.00 0.00 O ATOM 185 CB TYR A 20 -5.850 4.853 -1.718 1.00 0.00 C ATOM 186 CG TYR A 20 -6.355 3.884 -2.770 1.00 0.00 C ATOM 187 CD1 TYR A 20 -7.616 3.304 -2.669 1.00 0.00 C ATOM 188 CD2 TYR A 20 -5.567 3.550 -3.864 1.00 0.00 C ATOM 189 CE1 TYR A 20 -8.074 2.422 -3.629 1.00 0.00 C ATOM 190 CE2 TYR A 20 -6.019 2.669 -4.827 1.00 0.00 C ATOM 191 CZ TYR A 20 -7.272 2.108 -4.704 1.00 0.00 C ATOM 192 OH TYR A 20 -7.727 1.229 -5.662 1.00 0.00 O ATOM 0 H TYR A 20 -6.692 2.445 -0.651 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.509 4.942 0.411 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.268 5.840 -1.918 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.767 4.941 -1.810 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -8.247 3.547 -1.827 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.584 3.987 -3.963 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -9.056 1.981 -3.537 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.394 2.421 -5.672 1.00 0.00 H new ATOM 0 HH TYR A 20 -7.474 1.554 -6.551 1.00 0.00 H new ATOM 202 N CYS A 21 -7.818 6.216 0.052 1.00 0.00 N ATOM 203 CA CYS A 21 -9.124 6.790 0.356 1.00 0.00 C ATOM 204 C CYS A 21 -9.878 7.130 -0.928 1.00 0.00 C ATOM 205 O CYS A 21 -9.267 7.416 -1.959 1.00 0.00 O ATOM 206 CB CYS A 21 -8.963 8.047 1.213 1.00 0.00 C ATOM 207 SG CYS A 21 -7.978 9.349 0.436 1.00 0.00 S ATOM 0 H CYS A 21 -7.097 6.904 -0.164 1.00 0.00 H new ATOM 0 HA CYS A 21 -9.700 6.050 0.912 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -9.951 8.444 1.446 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -8.499 7.771 2.160 1.00 0.00 H new ATOM 0 HG CYS A 21 -7.901 10.371 1.236 1.00 0.00 H new ATOM 213 N PRO A 22 -11.221 7.105 -0.884 1.00 0.00 N ATOM 214 CA PRO A 22 -12.055 7.410 -2.050 1.00 0.00 C ATOM 215 C PRO A 22 -12.102 8.904 -2.369 1.00 0.00 C ATOM 216 O PRO A 22 -12.696 9.313 -3.367 1.00 0.00 O ATOM 217 CB PRO A 22 -13.437 6.913 -1.627 1.00 0.00 C ATOM 218 CG PRO A 22 -13.443 7.040 -0.143 1.00 0.00 C ATOM 219 CD PRO A 22 -12.031 6.773 0.306 1.00 0.00 C ATOM 0 HA PRO A 22 -11.671 6.943 -2.957 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -14.229 7.510 -2.079 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -13.599 5.881 -1.937 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -13.767 8.035 0.161 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.136 6.328 0.306 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -11.759 7.391 1.162 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -11.895 5.734 0.607 1.00 0.00 H new ATOM 227 N SER A 23 -11.479 9.716 -1.519 1.00 0.00 N ATOM 228 CA SER A 23 -11.461 11.161 -1.719 1.00 0.00 C ATOM 229 C SER A 23 -10.274 11.581 -2.582 1.00 0.00 C ATOM 230 O SER A 23 -10.355 12.550 -3.336 1.00 0.00 O ATOM 231 CB SER A 23 -11.409 11.883 -0.373 1.00 0.00 C ATOM 232 OG SER A 23 -12.005 13.167 -0.459 1.00 0.00 O ATOM 0 H SER A 23 -10.981 9.398 -0.687 1.00 0.00 H new ATOM 0 HA SER A 23 -12.378 11.440 -2.238 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.925 11.289 0.382 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.373 11.981 -0.049 1.00 0.00 H new ATOM 0 HG SER A 23 -12.088 13.550 0.439 1.00 0.00 H new ATOM 238 N ASP A 24 -9.174 10.846 -2.465 1.00 0.00 N ATOM 239 CA ASP A 24 -7.971 11.144 -3.235 1.00 0.00 C ATOM 240 C ASP A 24 -7.374 9.871 -3.826 1.00 0.00 C ATOM 241 O ASP A 24 -6.157 9.682 -3.820 1.00 0.00 O ATOM 242 CB ASP A 24 -6.937 11.847 -2.351 1.00 0.00 C ATOM 243 CG ASP A 24 -5.808 12.457 -3.159 1.00 0.00 C ATOM 244 OD1 ASP A 24 -6.053 13.460 -3.862 1.00 0.00 O ATOM 245 OD2 ASP A 24 -4.676 11.931 -3.089 1.00 0.00 O ATOM 0 H ASP A 24 -9.090 10.040 -1.845 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.248 11.807 -4.055 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.429 12.628 -1.771 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.526 11.132 -1.638 1.00 0.00 H new ATOM 250 N ILE A 25 -8.237 8.999 -4.334 1.00 0.00 N ATOM 251 CA ILE A 25 -7.796 7.743 -4.927 1.00 0.00 C ATOM 252 C ILE A 25 -7.116 7.978 -6.274 1.00 0.00 C ATOM 253 O ILE A 25 -6.105 7.352 -6.590 1.00 0.00 O ATOM 254 CB ILE A 25 -8.981 6.764 -5.105 1.00 0.00 C ATOM 255 CG1 ILE A 25 -8.474 5.323 -5.189 1.00 0.00 C ATOM 256 CG2 ILE A 25 -9.806 7.116 -6.337 1.00 0.00 C ATOM 257 CD1 ILE A 25 -7.641 5.037 -6.419 1.00 0.00 C ATOM 0 H ILE A 25 -9.247 9.139 -4.347 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.073 7.299 -4.243 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.629 6.855 -4.233 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -7.880 5.105 -4.301 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.328 4.646 -5.175 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -10.631 6.411 -6.436 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -10.202 8.126 -6.233 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -9.175 7.063 -7.224 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -7.319 3.996 -6.406 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.237 5.222 -7.313 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.766 5.687 -6.425 1.00 0.00 H new ATOM 269 N GLN A 26 -7.682 8.888 -7.064 1.00 0.00 N ATOM 270 CA GLN A 26 -7.139 9.215 -8.381 1.00 0.00 C ATOM 271 C GLN A 26 -5.639 9.491 -8.310 1.00 0.00 C ATOM 272 O GLN A 26 -4.880 9.097 -9.197 1.00 0.00 O ATOM 273 CB GLN A 26 -7.863 10.427 -8.966 1.00 0.00 C ATOM 274 CG GLN A 26 -9.294 10.136 -9.389 1.00 0.00 C ATOM 275 CD GLN A 26 -9.646 10.756 -10.727 1.00 0.00 C ATOM 276 OE1 GLN A 26 -10.343 11.769 -10.791 1.00 0.00 O ATOM 277 NE2 GLN A 26 -9.165 10.148 -11.805 1.00 0.00 N ATOM 0 H GLN A 26 -8.519 9.414 -6.814 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.297 8.353 -9.030 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.867 11.228 -8.227 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.305 10.791 -9.829 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.440 9.057 -9.443 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.977 10.512 -8.628 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.591 9.311 -11.705 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.369 10.518 -12.733 1.00 0.00 H new ATOM 286 N PHE A 27 -5.219 10.170 -7.250 1.00 0.00 N ATOM 287 CA PHE A 27 -3.810 10.498 -7.062 1.00 0.00 C ATOM 288 C PHE A 27 -2.994 9.241 -6.781 1.00 0.00 C ATOM 289 O PHE A 27 -1.975 8.991 -7.426 1.00 0.00 O ATOM 290 CB PHE A 27 -3.644 11.494 -5.914 1.00 0.00 C ATOM 291 CG PHE A 27 -2.257 12.061 -5.808 1.00 0.00 C ATOM 292 CD1 PHE A 27 -1.795 12.975 -6.742 1.00 0.00 C ATOM 293 CD2 PHE A 27 -1.416 11.680 -4.775 1.00 0.00 C ATOM 294 CE1 PHE A 27 -0.519 13.497 -6.647 1.00 0.00 C ATOM 295 CE2 PHE A 27 -0.138 12.199 -4.675 1.00 0.00 C ATOM 296 CZ PHE A 27 0.310 13.110 -5.612 1.00 0.00 C ATOM 0 H PHE A 27 -5.833 10.504 -6.507 1.00 0.00 H new ATOM 0 HA PHE A 27 -3.442 10.952 -7.982 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -4.353 12.311 -6.047 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.899 11.001 -4.976 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.439 13.282 -7.553 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.763 10.969 -4.039 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.170 14.207 -7.382 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.509 11.893 -3.866 1.00 0.00 H new ATOM 0 HZ PHE A 27 1.307 13.519 -5.535 1.00 0.00 H new ATOM 306 N VAL A 28 -3.452 8.450 -5.815 1.00 0.00 N ATOM 307 CA VAL A 28 -2.765 7.219 -5.447 1.00 0.00 C ATOM 308 C VAL A 28 -2.687 6.260 -6.630 1.00 0.00 C ATOM 309 O VAL A 28 -1.601 5.861 -7.045 1.00 0.00 O ATOM 310 CB VAL A 28 -3.463 6.508 -4.272 1.00 0.00 C ATOM 311 CG1 VAL A 28 -2.566 5.422 -3.698 1.00 0.00 C ATOM 312 CG2 VAL A 28 -3.855 7.509 -3.196 1.00 0.00 C ATOM 0 H VAL A 28 -4.295 8.641 -5.274 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.758 7.502 -5.141 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.373 6.038 -4.645 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.075 4.930 -2.869 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.342 4.689 -4.472 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.638 5.868 -3.341 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.346 6.987 -2.375 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.962 8.011 -2.824 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.538 8.247 -3.617 1.00 0.00 H new ATOM 322 N GLN A 29 -3.847 5.896 -7.172 1.00 0.00 N ATOM 323 CA GLN A 29 -3.911 4.986 -8.307 1.00 0.00 C ATOM 324 C GLN A 29 -2.934 5.405 -9.400 1.00 0.00 C ATOM 325 O GLN A 29 -2.282 4.566 -10.018 1.00 0.00 O ATOM 326 CB GLN A 29 -5.332 4.937 -8.861 1.00 0.00 C ATOM 327 CG GLN A 29 -5.925 6.309 -9.132 1.00 0.00 C ATOM 328 CD GLN A 29 -5.997 6.637 -10.609 1.00 0.00 C ATOM 329 OE1 GLN A 29 -6.890 5.958 -11.322 1.00 0.00 O flip ATOM 330 NE2 GLN A 29 -5.260 7.489 -11.106 1.00 0.00 N flip ATOM 0 H GLN A 29 -4.756 6.220 -6.841 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.628 3.991 -7.963 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -5.333 4.360 -9.786 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.971 4.407 -8.154 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.927 6.358 -8.705 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.325 7.065 -8.626 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.589 7.986 -10.521 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.321 7.697 -12.103 1.00 0.00 H new ATOM 339 N GLU A 30 -2.829 6.711 -9.629 1.00 0.00 N ATOM 340 CA GLU A 30 -1.918 7.232 -10.640 1.00 0.00 C ATOM 341 C GLU A 30 -0.483 6.849 -10.294 1.00 0.00 C ATOM 342 O GLU A 30 0.309 6.490 -11.166 1.00 0.00 O ATOM 343 CB GLU A 30 -2.048 8.754 -10.748 1.00 0.00 C ATOM 344 CG GLU A 30 -2.314 9.243 -12.164 1.00 0.00 C ATOM 345 CD GLU A 30 -1.290 10.257 -12.635 1.00 0.00 C ATOM 346 OE1 GLU A 30 -0.086 10.046 -12.379 1.00 0.00 O ATOM 347 OE2 GLU A 30 -1.692 11.260 -13.260 1.00 0.00 O ATOM 0 H GLU A 30 -3.361 7.424 -9.130 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.180 6.795 -11.604 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.857 9.088 -10.099 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.132 9.216 -10.379 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.315 8.391 -12.844 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.308 9.688 -12.210 1.00 0.00 H new ATOM 354 N MET A 31 -0.163 6.921 -9.006 1.00 0.00 N ATOM 355 CA MET A 31 1.167 6.577 -8.522 1.00 0.00 C ATOM 356 C MET A 31 1.392 5.070 -8.588 1.00 0.00 C ATOM 357 O MET A 31 2.458 4.608 -8.994 1.00 0.00 O ATOM 358 CB MET A 31 1.343 7.071 -7.086 1.00 0.00 C ATOM 359 CG MET A 31 2.709 6.757 -6.492 1.00 0.00 C ATOM 360 SD MET A 31 2.623 5.619 -5.092 1.00 0.00 S ATOM 361 CE MET A 31 1.238 6.297 -4.179 1.00 0.00 C ATOM 0 H MET A 31 -0.811 7.216 -8.276 1.00 0.00 H new ATOM 0 HA MET A 31 1.904 7.063 -9.161 1.00 0.00 H new ATOM 0 HB2 MET A 31 1.185 8.149 -7.061 1.00 0.00 H new ATOM 0 HB3 MET A 31 0.573 6.621 -6.460 1.00 0.00 H new ATOM 0 HG2 MET A 31 3.345 6.326 -7.265 1.00 0.00 H new ATOM 0 HG3 MET A 31 3.182 7.685 -6.171 1.00 0.00 H new ATOM 0 HE1 MET A 31 1.362 6.082 -3.118 1.00 0.00 H new ATOM 0 HE2 MET A 31 1.197 7.376 -4.329 1.00 0.00 H new ATOM 0 HE3 MET A 31 0.312 5.846 -4.535 1.00 0.00 H new ATOM 371 N ILE A 32 0.378 4.307 -8.188 1.00 0.00 N ATOM 372 CA ILE A 32 0.464 2.851 -8.203 1.00 0.00 C ATOM 373 C ILE A 32 0.600 2.328 -9.629 1.00 0.00 C ATOM 374 O ILE A 32 1.562 1.633 -9.957 1.00 0.00 O ATOM 375 CB ILE A 32 -0.771 2.202 -7.545 1.00 0.00 C ATOM 376 CG1 ILE A 32 -1.039 2.820 -6.168 1.00 0.00 C ATOM 377 CG2 ILE A 32 -0.580 0.698 -7.427 1.00 0.00 C ATOM 378 CD1 ILE A 32 0.201 2.969 -5.313 1.00 0.00 C ATOM 0 H ILE A 32 -0.512 4.673 -7.850 1.00 0.00 H new ATOM 0 HA ILE A 32 1.351 2.581 -7.630 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.637 2.392 -8.178 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.496 3.800 -6.303 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.763 2.201 -5.637 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.460 0.255 -6.961 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.441 0.270 -8.420 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.298 0.490 -6.816 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.069 3.413 -4.355 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.648 1.989 -5.146 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.919 3.613 -5.822 1.00 0.00 H new ATOM 390 N ARG A 33 -0.369 2.667 -10.475 1.00 0.00 N ATOM 391 CA ARG A 33 -0.358 2.237 -11.864 1.00 0.00 C ATOM 392 C ARG A 33 0.946 2.636 -12.546 1.00 0.00 C ATOM 393 O ARG A 33 1.460 1.911 -13.398 1.00 0.00 O ATOM 394 CB ARG A 33 -1.549 2.845 -12.606 1.00 0.00 C ATOM 395 CG ARG A 33 -1.481 4.359 -12.733 1.00 0.00 C ATOM 396 CD ARG A 33 -0.898 4.783 -14.072 1.00 0.00 C ATOM 397 NE ARG A 33 -1.753 5.747 -14.760 1.00 0.00 N ATOM 398 CZ ARG A 33 -2.978 5.468 -15.203 1.00 0.00 C ATOM 399 NH1 ARG A 33 -3.493 4.258 -15.034 1.00 0.00 N ATOM 400 NH2 ARG A 33 -3.690 6.405 -15.815 1.00 0.00 N ATOM 0 H ARG A 33 -1.173 3.240 -10.219 1.00 0.00 H new ATOM 0 HA ARG A 33 -0.436 1.150 -11.890 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.607 2.408 -13.603 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.467 2.574 -12.085 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.480 4.779 -12.621 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -0.872 4.765 -11.925 1.00 0.00 H new ATOM 0 HD2 ARG A 33 0.088 5.220 -13.916 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -0.762 3.904 -14.703 1.00 0.00 H new ATOM 0 HE ARG A 33 -1.391 6.689 -14.910 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -2.951 3.534 -14.562 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -4.432 4.051 -15.376 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -3.299 7.338 -15.946 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -4.628 6.192 -16.155 1.00 0.00 H new ATOM 414 N GLN A 34 1.482 3.787 -12.152 1.00 0.00 N ATOM 415 CA GLN A 34 2.733 4.279 -12.715 1.00 0.00 C ATOM 416 C GLN A 34 3.914 3.500 -12.148 1.00 0.00 C ATOM 417 O GLN A 34 4.989 3.457 -12.746 1.00 0.00 O ATOM 418 CB GLN A 34 2.899 5.770 -12.417 1.00 0.00 C ATOM 419 CG GLN A 34 4.179 6.364 -12.983 1.00 0.00 C ATOM 420 CD GLN A 34 3.966 7.738 -13.588 1.00 0.00 C ATOM 421 OE1 GLN A 34 4.248 8.756 -12.958 1.00 0.00 O ATOM 422 NE2 GLN A 34 3.465 7.771 -14.817 1.00 0.00 N ATOM 0 H GLN A 34 1.069 4.396 -11.445 1.00 0.00 H new ATOM 0 HA GLN A 34 2.705 4.136 -13.795 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.045 6.311 -12.825 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.885 5.920 -11.337 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.925 6.431 -12.191 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.581 5.694 -13.744 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.246 6.901 -15.302 1.00 0.00 H new ATOM 0 HE22 GLN A 34 3.299 8.667 -15.276 1.00 0.00 H new ATOM 431 N LEU A 35 3.705 2.886 -10.985 1.00 0.00 N ATOM 432 CA LEU A 35 4.746 2.112 -10.333 1.00 0.00 C ATOM 433 C LEU A 35 4.800 0.688 -10.881 1.00 0.00 C ATOM 434 O LEU A 35 5.850 0.220 -11.321 1.00 0.00 O ATOM 435 CB LEU A 35 4.502 2.077 -8.825 1.00 0.00 C ATOM 436 CG LEU A 35 4.918 3.339 -8.070 1.00 0.00 C ATOM 437 CD1 LEU A 35 4.221 3.407 -6.719 1.00 0.00 C ATOM 438 CD2 LEU A 35 6.427 3.380 -7.896 1.00 0.00 C ATOM 0 H LEU A 35 2.820 2.913 -10.478 1.00 0.00 H new ATOM 0 HA LEU A 35 5.703 2.593 -10.536 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.441 1.900 -8.649 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.041 1.227 -8.405 1.00 0.00 H new ATOM 0 HG LEU A 35 4.615 4.207 -8.655 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.529 4.312 -6.196 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.141 3.423 -6.867 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.493 2.534 -6.125 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.707 4.285 -7.357 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.752 2.506 -7.332 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.906 3.379 -8.875 1.00 0.00 H new ATOM 450 N GLU A 36 3.661 0.004 -10.842 1.00 0.00 N ATOM 451 CA GLU A 36 3.575 -1.371 -11.324 1.00 0.00 C ATOM 452 C GLU A 36 4.004 -1.479 -12.784 1.00 0.00 C ATOM 453 O GLU A 36 4.726 -2.402 -13.160 1.00 0.00 O ATOM 454 CB GLU A 36 2.152 -1.908 -11.157 1.00 0.00 C ATOM 455 CG GLU A 36 1.087 -1.029 -11.794 1.00 0.00 C ATOM 456 CD GLU A 36 -0.275 -1.211 -11.155 1.00 0.00 C ATOM 457 OE1 GLU A 36 -0.327 -1.630 -9.978 1.00 0.00 O ATOM 458 OE2 GLU A 36 -1.290 -0.936 -11.828 1.00 0.00 O ATOM 0 H GLU A 36 2.784 0.379 -10.481 1.00 0.00 H new ATOM 0 HA GLU A 36 4.258 -1.973 -10.725 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.096 -2.905 -11.594 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.935 -2.013 -10.094 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.386 0.016 -11.712 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.019 -1.259 -12.857 1.00 0.00 H new ATOM 465 N GLN A 37 3.557 -0.534 -13.603 1.00 0.00 N ATOM 466 CA GLN A 37 3.895 -0.529 -15.017 1.00 0.00 C ATOM 467 C GLN A 37 5.407 -0.474 -15.219 1.00 0.00 C ATOM 468 O GLN A 37 5.929 -0.980 -16.214 1.00 0.00 O ATOM 469 CB GLN A 37 3.228 0.657 -15.708 1.00 0.00 C ATOM 470 CG GLN A 37 3.775 2.006 -15.272 1.00 0.00 C ATOM 471 CD GLN A 37 4.414 2.776 -16.411 1.00 0.00 C ATOM 472 OE1 GLN A 37 4.157 2.500 -17.583 1.00 0.00 O ATOM 473 NE2 GLN A 37 5.253 3.748 -16.072 1.00 0.00 N ATOM 0 H GLN A 37 2.959 0.238 -13.309 1.00 0.00 H new ATOM 0 HA GLN A 37 3.528 -1.455 -15.460 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.354 0.555 -16.786 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.157 0.627 -15.508 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.967 2.600 -14.846 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.511 1.857 -14.482 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.437 3.943 -15.088 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.713 4.300 -16.796 1.00 0.00 H new ATOM 555 N LEU A 42 6.446 -6.183 -10.099 1.00 0.00 N ATOM 556 CA LEU A 42 5.536 -5.553 -9.149 1.00 0.00 C ATOM 557 C LEU A 42 4.082 -5.839 -9.507 1.00 0.00 C ATOM 558 O LEU A 42 3.628 -5.523 -10.607 1.00 0.00 O ATOM 559 CB LEU A 42 5.774 -4.043 -9.105 1.00 0.00 C ATOM 560 CG LEU A 42 5.301 -3.351 -7.822 1.00 0.00 C ATOM 561 CD1 LEU A 42 6.486 -2.997 -6.937 1.00 0.00 C ATOM 562 CD2 LEU A 42 4.491 -2.106 -8.154 1.00 0.00 C ATOM 0 HA LEU A 42 5.736 -5.975 -8.164 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.840 -3.854 -9.230 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.268 -3.585 -9.955 1.00 0.00 H new ATOM 0 HG LEU A 42 4.660 -4.043 -7.276 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.130 -2.507 -6.031 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.025 -3.906 -6.670 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.154 -2.324 -7.475 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.164 -1.628 -7.231 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.109 -1.411 -8.723 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.620 -2.386 -8.746 1.00 0.00 H new ATOM 574 N LYS A 43 3.356 -6.435 -8.567 1.00 0.00 N ATOM 575 CA LYS A 43 1.950 -6.761 -8.775 1.00 0.00 C ATOM 576 C LYS A 43 1.109 -6.278 -7.598 1.00 0.00 C ATOM 577 O LYS A 43 0.881 -7.017 -6.639 1.00 0.00 O ATOM 578 CB LYS A 43 1.777 -8.271 -8.955 1.00 0.00 C ATOM 579 CG LYS A 43 2.748 -8.881 -9.953 1.00 0.00 C ATOM 580 CD LYS A 43 2.221 -8.784 -11.375 1.00 0.00 C ATOM 581 CE LYS A 43 2.907 -7.672 -12.151 1.00 0.00 C ATOM 582 NZ LYS A 43 3.081 -8.021 -13.588 1.00 0.00 N ATOM 0 H LYS A 43 3.719 -6.702 -7.652 1.00 0.00 H new ATOM 0 HA LYS A 43 1.610 -6.255 -9.679 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.906 -8.761 -7.990 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.757 -8.475 -9.282 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.709 -8.371 -9.885 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.923 -9.927 -9.699 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.375 -9.734 -11.886 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.146 -8.604 -11.354 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.321 -6.757 -12.068 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.881 -7.467 -11.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.553 -7.236 -14.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.662 -8.880 -13.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.150 -8.191 -14.019 1.00 0.00 H new ATOM 596 N LEU A 44 0.650 -5.033 -7.678 1.00 0.00 N ATOM 597 CA LEU A 44 -0.167 -4.452 -6.619 1.00 0.00 C ATOM 598 C LEU A 44 -1.648 -4.703 -6.884 1.00 0.00 C ATOM 599 O LEU A 44 -2.047 -4.971 -8.018 1.00 0.00 O ATOM 600 CB LEU A 44 0.107 -2.953 -6.500 1.00 0.00 C ATOM 601 CG LEU A 44 1.275 -2.585 -5.585 1.00 0.00 C ATOM 602 CD1 LEU A 44 1.882 -1.254 -5.997 1.00 0.00 C ATOM 603 CD2 LEU A 44 0.820 -2.534 -4.136 1.00 0.00 C ATOM 0 H LEU A 44 0.830 -4.408 -8.464 1.00 0.00 H new ATOM 0 HA LEU A 44 0.098 -4.931 -5.676 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.304 -2.554 -7.495 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.793 -2.462 -6.132 1.00 0.00 H new ATOM 0 HG LEU A 44 2.040 -3.355 -5.682 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.711 -1.011 -5.333 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.246 -1.322 -7.022 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.124 -0.473 -5.932 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.664 -2.271 -3.499 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.036 -1.785 -4.027 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.434 -3.510 -3.841 1.00 0.00 H new ATOM 615 N CYS A 45 -2.458 -4.626 -5.833 1.00 0.00 N ATOM 616 CA CYS A 45 -3.892 -4.859 -5.964 1.00 0.00 C ATOM 617 C CYS A 45 -4.698 -3.894 -5.102 1.00 0.00 C ATOM 618 O CYS A 45 -4.154 -3.218 -4.233 1.00 0.00 O ATOM 619 CB CYS A 45 -4.223 -6.298 -5.576 1.00 0.00 C ATOM 620 SG CYS A 45 -3.801 -7.528 -6.852 1.00 0.00 S ATOM 0 H CYS A 45 -2.148 -4.405 -4.886 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.164 -4.687 -7.005 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.692 -6.547 -4.657 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -5.289 -6.368 -5.357 1.00 0.00 H new ATOM 0 HG CYS A 45 -3.121 -8.496 -6.313 1.00 0.00 H new ATOM 625 N VAL A 46 -6.005 -3.845 -5.348 1.00 0.00 N ATOM 626 CA VAL A 46 -6.899 -2.973 -4.594 1.00 0.00 C ATOM 627 C VAL A 46 -8.211 -3.684 -4.280 1.00 0.00 C ATOM 628 O VAL A 46 -8.415 -4.830 -4.678 1.00 0.00 O ATOM 629 CB VAL A 46 -7.206 -1.669 -5.356 1.00 0.00 C ATOM 630 CG1 VAL A 46 -5.941 -0.841 -5.538 1.00 0.00 C ATOM 631 CG2 VAL A 46 -7.851 -1.971 -6.700 1.00 0.00 C ATOM 0 H VAL A 46 -6.469 -4.401 -6.066 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.384 -2.722 -3.666 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.911 -1.086 -4.764 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.180 0.075 -6.078 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.528 -0.589 -4.561 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.208 -1.416 -6.105 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.060 -1.037 -7.222 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.174 -2.578 -7.300 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -8.783 -2.514 -6.543 1.00 0.00 H new ATOM 641 N SER A 47 -9.098 -2.999 -3.564 1.00 0.00 N ATOM 642 CA SER A 47 -10.389 -3.572 -3.201 1.00 0.00 C ATOM 643 C SER A 47 -11.444 -2.482 -3.044 1.00 0.00 C ATOM 644 O SER A 47 -11.551 -1.855 -1.991 1.00 0.00 O ATOM 645 CB SER A 47 -10.270 -4.376 -1.905 1.00 0.00 C ATOM 646 OG SER A 47 -10.962 -5.608 -2.003 1.00 0.00 O ATOM 0 H SER A 47 -8.947 -2.049 -3.225 1.00 0.00 H new ATOM 0 HA SER A 47 -10.700 -4.239 -4.005 1.00 0.00 H new ATOM 0 HB2 SER A 47 -9.219 -4.562 -1.684 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.672 -3.795 -1.075 1.00 0.00 H new ATOM 0 HG SER A 47 -10.674 -6.081 -2.812 1.00 0.00 H new ATOM 781 N VAL A 57 -8.815 -2.087 -14.811 1.00 0.00 N ATOM 782 CA VAL A 57 -7.625 -1.802 -14.021 1.00 0.00 C ATOM 783 C VAL A 57 -7.268 -2.983 -13.126 1.00 0.00 C ATOM 784 O VAL A 57 -7.933 -4.018 -13.154 1.00 0.00 O ATOM 785 CB VAL A 57 -7.818 -0.548 -13.146 1.00 0.00 C ATOM 786 CG1 VAL A 57 -7.895 0.700 -14.012 1.00 0.00 C ATOM 787 CG2 VAL A 57 -9.063 -0.686 -12.285 1.00 0.00 C ATOM 0 HA VAL A 57 -6.812 -1.622 -14.724 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.956 -0.451 -12.486 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.031 1.576 -13.377 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.972 0.805 -14.582 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.737 0.615 -14.699 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.184 0.208 -11.674 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.937 -0.808 -12.925 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.963 -1.557 -11.638 1.00 0.00 H new ATOM 797 N TRP A 58 -6.214 -2.824 -12.331 1.00 0.00 N ATOM 798 CA TRP A 58 -5.775 -3.881 -11.428 1.00 0.00 C ATOM 799 C TRP A 58 -6.608 -3.884 -10.151 1.00 0.00 C ATOM 800 O TRP A 58 -6.585 -2.923 -9.382 1.00 0.00 O ATOM 801 CB TRP A 58 -4.292 -3.708 -11.088 1.00 0.00 C ATOM 802 CG TRP A 58 -3.478 -4.943 -11.331 1.00 0.00 C ATOM 803 CD1 TRP A 58 -3.802 -6.221 -10.976 1.00 0.00 C ATOM 804 CD2 TRP A 58 -2.205 -5.016 -11.982 1.00 0.00 C ATOM 805 NE1 TRP A 58 -2.807 -7.085 -11.366 1.00 0.00 N ATOM 806 CE2 TRP A 58 -1.816 -6.370 -11.986 1.00 0.00 C ATOM 807 CE3 TRP A 58 -1.355 -4.070 -12.563 1.00 0.00 C ATOM 808 CZ2 TRP A 58 -0.615 -6.798 -12.548 1.00 0.00 C ATOM 809 CZ3 TRP A 58 -0.165 -4.496 -13.120 1.00 0.00 C ATOM 810 CH2 TRP A 58 0.196 -5.850 -13.109 1.00 0.00 C ATOM 0 H TRP A 58 -5.650 -1.975 -12.294 1.00 0.00 H new ATOM 0 HA TRP A 58 -5.913 -4.838 -11.932 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -3.884 -2.890 -11.682 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -4.198 -3.420 -10.041 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -4.708 -6.510 -10.464 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -2.806 -8.094 -11.218 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -1.624 -3.024 -12.576 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -0.334 -7.841 -12.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 0.498 -3.773 -13.572 1.00 0.00 H new ATOM 0 HH2 TRP A 58 1.134 -6.151 -13.552 1.00 0.00 H new ATOM 821 N SER A 59 -7.341 -4.969 -9.931 1.00 0.00 N ATOM 822 CA SER A 59 -8.183 -5.101 -8.748 1.00 0.00 C ATOM 823 C SER A 59 -8.072 -6.504 -8.161 1.00 0.00 C ATOM 824 O SER A 59 -7.549 -7.414 -8.802 1.00 0.00 O ATOM 825 CB SER A 59 -9.640 -4.790 -9.093 1.00 0.00 C ATOM 826 OG SER A 59 -10.253 -4.020 -8.073 1.00 0.00 O ATOM 0 H SER A 59 -7.369 -5.773 -10.559 1.00 0.00 H new ATOM 0 HA SER A 59 -7.837 -4.385 -8.002 1.00 0.00 H new ATOM 0 HB2 SER A 59 -9.686 -4.249 -10.038 1.00 0.00 H new ATOM 0 HB3 SER A 59 -10.191 -5.720 -9.231 1.00 0.00 H new ATOM 0 HG SER A 59 -11.183 -3.833 -8.318 1.00 0.00 H new ATOM 832 N ILE A 60 -8.565 -6.672 -6.939 1.00 0.00 N ATOM 833 CA ILE A 60 -8.517 -7.966 -6.270 1.00 0.00 C ATOM 834 C ILE A 60 -9.523 -8.041 -5.127 1.00 0.00 C ATOM 835 O ILE A 60 -9.962 -7.018 -4.600 1.00 0.00 O ATOM 836 CB ILE A 60 -7.101 -8.260 -5.722 1.00 0.00 C ATOM 837 CG1 ILE A 60 -6.783 -9.753 -5.846 1.00 0.00 C ATOM 838 CG2 ILE A 60 -6.968 -7.795 -4.273 1.00 0.00 C ATOM 839 CD1 ILE A 60 -5.659 -10.219 -4.946 1.00 0.00 C ATOM 0 H ILE A 60 -9.002 -5.930 -6.393 1.00 0.00 H new ATOM 0 HA ILE A 60 -8.775 -8.717 -7.017 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.379 -7.702 -6.318 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -7.681 -10.326 -5.615 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -6.522 -9.974 -6.881 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -5.963 -8.013 -3.912 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -7.148 -6.721 -4.217 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.698 -8.318 -3.655 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.495 -11.287 -5.092 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.747 -9.674 -5.191 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.925 -10.032 -3.906 1.00 0.00 H new ATOM 851 N ALA A 61 -9.865 -9.261 -4.736 1.00 0.00 N ATOM 852 CA ALA A 61 -10.797 -9.478 -3.642 1.00 0.00 C ATOM 853 C ALA A 61 -10.091 -9.281 -2.304 1.00 0.00 C ATOM 854 O ALA A 61 -8.918 -9.626 -2.154 1.00 0.00 O ATOM 855 CB ALA A 61 -11.397 -10.873 -3.736 1.00 0.00 C ATOM 0 H ALA A 61 -9.509 -10.116 -5.162 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.606 -8.751 -3.713 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -12.094 -11.026 -2.912 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.926 -10.978 -4.683 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.601 -11.616 -3.681 1.00 0.00 H new ATOM 861 N SER A 62 -10.803 -8.713 -1.337 1.00 0.00 N ATOM 862 CA SER A 62 -10.233 -8.460 -0.018 1.00 0.00 C ATOM 863 C SER A 62 -9.840 -9.757 0.690 1.00 0.00 C ATOM 864 O SER A 62 -9.134 -9.730 1.698 1.00 0.00 O ATOM 865 CB SER A 62 -11.228 -7.681 0.845 1.00 0.00 C ATOM 866 OG SER A 62 -10.834 -7.687 2.208 1.00 0.00 O ATOM 0 H SER A 62 -11.774 -8.419 -1.441 1.00 0.00 H new ATOM 0 HA SER A 62 -9.328 -7.869 -0.160 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.298 -6.654 0.488 1.00 0.00 H new ATOM 0 HB3 SER A 62 -12.221 -8.121 0.748 1.00 0.00 H new ATOM 0 HG SER A 62 -11.485 -7.182 2.739 1.00 0.00 H new ATOM 872 N GLU A 63 -10.302 -10.890 0.169 1.00 0.00 N ATOM 873 CA GLU A 63 -9.996 -12.185 0.768 1.00 0.00 C ATOM 874 C GLU A 63 -8.702 -12.773 0.207 1.00 0.00 C ATOM 875 O GLU A 63 -8.109 -13.667 0.811 1.00 0.00 O ATOM 876 CB GLU A 63 -11.154 -13.160 0.541 1.00 0.00 C ATOM 877 CG GLU A 63 -11.656 -13.187 -0.893 1.00 0.00 C ATOM 878 CD GLU A 63 -12.153 -14.555 -1.313 1.00 0.00 C ATOM 879 OE1 GLU A 63 -11.310 -15.433 -1.594 1.00 0.00 O ATOM 880 OE2 GLU A 63 -13.386 -14.751 -1.358 1.00 0.00 O ATOM 0 H GLU A 63 -10.888 -10.938 -0.664 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.858 -12.030 1.838 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -10.834 -14.163 0.824 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.979 -12.891 1.201 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.462 -12.462 -1.005 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.853 -12.876 -1.561 1.00 0.00 H new ATOM 887 N LEU A 64 -8.269 -12.279 -0.951 1.00 0.00 N ATOM 888 CA LEU A 64 -7.052 -12.771 -1.578 1.00 0.00 C ATOM 889 C LEU A 64 -5.843 -11.911 -1.215 1.00 0.00 C ATOM 890 O LEU A 64 -4.730 -12.172 -1.670 1.00 0.00 O ATOM 891 CB LEU A 64 -7.213 -12.815 -3.100 1.00 0.00 C ATOM 892 CG LEU A 64 -8.651 -12.788 -3.615 1.00 0.00 C ATOM 893 CD1 LEU A 64 -8.671 -12.678 -5.132 1.00 0.00 C ATOM 894 CD2 LEU A 64 -9.401 -14.025 -3.158 1.00 0.00 C ATOM 0 H LEU A 64 -8.744 -11.540 -1.470 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.878 -13.779 -1.202 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.677 -11.968 -3.528 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.730 -13.719 -3.472 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.151 -11.912 -3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.703 -12.660 -5.482 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.168 -11.760 -5.437 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.156 -13.535 -5.566 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -10.424 -13.990 -3.533 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.903 -14.915 -3.543 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.415 -14.060 -2.069 1.00 0.00 H new ATOM 906 N ILE A 65 -6.062 -10.880 -0.403 1.00 0.00 N ATOM 907 CA ILE A 65 -4.980 -9.991 -0.001 1.00 0.00 C ATOM 908 C ILE A 65 -4.012 -10.688 0.948 1.00 0.00 C ATOM 909 O ILE A 65 -2.830 -10.851 0.640 1.00 0.00 O ATOM 910 CB ILE A 65 -5.516 -8.715 0.673 1.00 0.00 C ATOM 911 CG1 ILE A 65 -6.612 -8.081 -0.187 1.00 0.00 C ATOM 912 CG2 ILE A 65 -4.385 -7.728 0.917 1.00 0.00 C ATOM 913 CD1 ILE A 65 -7.160 -6.792 0.385 1.00 0.00 C ATOM 0 H ILE A 65 -6.974 -10.642 -0.013 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.450 -9.714 -0.912 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.948 -8.984 1.637 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.214 -7.887 -1.183 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -7.429 -8.793 -0.303 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.781 -6.831 1.394 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.638 -8.184 1.566 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -3.925 -7.460 -0.034 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.932 -6.400 -0.277 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -7.588 -6.984 1.369 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -6.355 -6.063 0.476 1.00 0.00 H new ATOM 925 N GLU A 66 -4.516 -11.094 2.108 1.00 0.00 N ATOM 926 CA GLU A 66 -3.700 -11.767 3.107 1.00 0.00 C ATOM 927 C GLU A 66 -3.104 -13.063 2.562 1.00 0.00 C ATOM 928 O GLU A 66 -2.132 -13.586 3.108 1.00 0.00 O ATOM 929 CB GLU A 66 -4.535 -12.060 4.352 1.00 0.00 C ATOM 930 CG GLU A 66 -5.905 -12.644 4.046 1.00 0.00 C ATOM 931 CD GLU A 66 -6.239 -13.839 4.920 1.00 0.00 C ATOM 932 OE1 GLU A 66 -5.302 -14.559 5.323 1.00 0.00 O ATOM 933 OE2 GLU A 66 -7.437 -14.051 5.201 1.00 0.00 O ATOM 0 H GLU A 66 -5.491 -10.967 2.379 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.876 -11.103 3.369 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.988 -12.754 4.990 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.661 -11.138 4.919 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.663 -11.874 4.185 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.943 -12.943 2.998 1.00 0.00 H new ATOM 940 N LYS A 67 -3.691 -13.585 1.487 1.00 0.00 N ATOM 941 CA LYS A 67 -3.214 -14.824 0.884 1.00 0.00 C ATOM 942 C LYS A 67 -2.278 -14.549 -0.290 1.00 0.00 C ATOM 943 O LYS A 67 -1.136 -15.010 -0.307 1.00 0.00 O ATOM 944 CB LYS A 67 -4.396 -15.674 0.416 1.00 0.00 C ATOM 945 CG LYS A 67 -5.417 -15.948 1.510 1.00 0.00 C ATOM 946 CD LYS A 67 -5.863 -17.401 1.508 1.00 0.00 C ATOM 947 CE LYS A 67 -6.642 -17.743 0.247 1.00 0.00 C ATOM 948 NZ LYS A 67 -7.781 -18.659 0.531 1.00 0.00 N ATOM 0 H LYS A 67 -4.496 -13.169 1.018 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.654 -15.369 1.644 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.891 -15.169 -0.413 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.022 -16.623 0.033 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.987 -15.700 2.480 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.283 -15.301 1.371 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.991 -18.050 1.586 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.483 -17.594 2.384 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.018 -16.826 -0.208 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.974 -18.208 -0.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.287 -18.868 -0.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.421 -19.544 0.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.432 -18.205 1.203 1.00 0.00 H new ATOM 962 N ARG A 68 -2.768 -13.801 -1.273 1.00 0.00 N ATOM 963 CA ARG A 68 -1.975 -13.474 -2.453 1.00 0.00 C ATOM 964 C ARG A 68 -0.990 -12.346 -2.161 1.00 0.00 C ATOM 965 O ARG A 68 0.225 -12.550 -2.187 1.00 0.00 O ATOM 966 CB ARG A 68 -2.889 -13.085 -3.616 1.00 0.00 C ATOM 967 CG ARG A 68 -4.010 -14.080 -3.863 1.00 0.00 C ATOM 968 CD ARG A 68 -4.537 -13.986 -5.287 1.00 0.00 C ATOM 969 NE ARG A 68 -5.850 -14.614 -5.428 1.00 0.00 N ATOM 970 CZ ARG A 68 -6.050 -15.929 -5.388 1.00 0.00 C ATOM 971 NH1 ARG A 68 -5.028 -16.759 -5.219 1.00 0.00 N ATOM 972 NH2 ARG A 68 -7.276 -16.416 -5.519 1.00 0.00 N ATOM 0 H ARG A 68 -3.710 -13.410 -1.276 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.404 -14.360 -2.729 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.321 -12.105 -3.416 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.291 -12.991 -4.522 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.649 -15.091 -3.674 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.823 -13.895 -3.160 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.603 -12.938 -5.581 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.832 -14.464 -5.967 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.660 -14.009 -5.565 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.082 -16.390 -5.119 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.188 -17.766 -5.189 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -8.065 -15.783 -5.650 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.430 -17.424 -5.489 1.00 0.00 H new ATOM 986 N CYS A 69 -1.517 -11.156 -1.887 1.00 0.00 N ATOM 987 CA CYS A 69 -0.676 -10.000 -1.595 1.00 0.00 C ATOM 988 C CYS A 69 0.261 -10.287 -0.425 1.00 0.00 C ATOM 989 O CYS A 69 -0.183 -10.637 0.667 1.00 0.00 O ATOM 990 CB CYS A 69 -1.541 -8.778 -1.283 1.00 0.00 C ATOM 991 SG CYS A 69 -2.499 -8.172 -2.692 1.00 0.00 S ATOM 0 H CYS A 69 -2.519 -10.967 -1.861 1.00 0.00 H new ATOM 0 HA CYS A 69 -0.071 -9.792 -2.478 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -2.226 -9.028 -0.473 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -0.899 -7.975 -0.921 1.00 0.00 H new ATOM 0 HG CYS A 69 -1.788 -7.317 -3.365 1.00 0.00 H new ATOM 997 N ARG A 70 1.561 -10.141 -0.665 1.00 0.00 N ATOM 998 CA ARG A 70 2.562 -10.388 0.365 1.00 0.00 C ATOM 999 C ARG A 70 2.713 -9.178 1.283 1.00 0.00 C ATOM 1000 O ARG A 70 2.895 -9.323 2.492 1.00 0.00 O ATOM 1001 CB ARG A 70 3.910 -10.733 -0.276 1.00 0.00 C ATOM 1002 CG ARG A 70 4.372 -12.153 0.008 1.00 0.00 C ATOM 1003 CD ARG A 70 5.869 -12.214 0.259 1.00 0.00 C ATOM 1004 NE ARG A 70 6.353 -13.589 0.359 1.00 0.00 N ATOM 1005 CZ ARG A 70 6.110 -14.387 1.397 1.00 0.00 C ATOM 1006 NH1 ARG A 70 5.391 -13.951 2.424 1.00 0.00 N ATOM 1007 NH2 ARG A 70 6.590 -15.622 1.408 1.00 0.00 N ATOM 0 H ARG A 70 1.945 -9.853 -1.565 1.00 0.00 H new ATOM 0 HA ARG A 70 2.227 -11.234 0.966 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.837 -10.592 -1.354 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.665 -10.035 0.086 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.841 -12.542 0.876 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.117 -12.795 -0.836 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.393 -11.703 -0.549 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.104 -11.679 1.179 1.00 0.00 H new ATOM 0 HE ARG A 70 6.910 -13.959 -0.411 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.021 -13.000 2.421 1.00 0.00 H new ATOM 0 HH12 ARG A 70 5.208 -14.567 3.216 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.145 -15.960 0.622 1.00 0.00 H new ATOM 0 HH22 ARG A 70 6.405 -16.234 2.203 1.00 0.00 H new ATOM 1021 N ARG A 71 2.633 -7.985 0.703 1.00 0.00 N ATOM 1022 CA ARG A 71 2.758 -6.751 1.473 1.00 0.00 C ATOM 1023 C ARG A 71 1.581 -5.820 1.203 1.00 0.00 C ATOM 1024 O ARG A 71 0.685 -6.144 0.423 1.00 0.00 O ATOM 1025 CB ARG A 71 4.078 -6.037 1.150 1.00 0.00 C ATOM 1026 CG ARG A 71 4.629 -6.341 -0.235 1.00 0.00 C ATOM 1027 CD ARG A 71 5.695 -7.424 -0.184 1.00 0.00 C ATOM 1028 NE ARG A 71 6.988 -6.899 0.250 1.00 0.00 N ATOM 1029 CZ ARG A 71 7.972 -7.655 0.733 1.00 0.00 C ATOM 1030 NH1 ARG A 71 7.816 -8.968 0.844 1.00 0.00 N ATOM 1031 NH2 ARG A 71 9.115 -7.096 1.104 1.00 0.00 N ATOM 0 H ARG A 71 2.482 -7.846 -0.296 1.00 0.00 H new ATOM 0 HA ARG A 71 2.755 -7.017 2.530 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.928 -4.961 1.241 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.822 -6.319 1.895 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.817 -6.658 -0.889 1.00 0.00 H new ATOM 0 HG3 ARG A 71 5.051 -5.434 -0.667 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.377 -8.214 0.497 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.800 -7.876 -1.170 1.00 0.00 H new ATOM 0 HE ARG A 71 7.146 -5.894 0.179 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.939 -9.403 0.559 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.573 -9.542 1.215 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.240 -6.087 1.019 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.869 -7.675 1.474 1.00 0.00 H new ATOM 1045 N MET A 72 1.583 -4.665 1.858 1.00 0.00 N ATOM 1046 CA MET A 72 0.508 -3.696 1.689 1.00 0.00 C ATOM 1047 C MET A 72 1.052 -2.274 1.597 1.00 0.00 C ATOM 1048 O MET A 72 2.136 -1.975 2.098 1.00 0.00 O ATOM 1049 CB MET A 72 -0.486 -3.802 2.848 1.00 0.00 C ATOM 1050 CG MET A 72 -1.827 -4.396 2.447 1.00 0.00 C ATOM 1051 SD MET A 72 -2.873 -4.768 3.868 1.00 0.00 S ATOM 1052 CE MET A 72 -2.700 -6.548 3.960 1.00 0.00 C ATOM 0 H MET A 72 2.314 -4.378 2.509 1.00 0.00 H new ATOM 0 HA MET A 72 -0.004 -3.924 0.754 1.00 0.00 H new ATOM 0 HB2 MET A 72 -0.048 -4.414 3.636 1.00 0.00 H new ATOM 0 HB3 MET A 72 -0.649 -2.809 3.268 1.00 0.00 H new ATOM 0 HG2 MET A 72 -2.347 -3.699 1.790 1.00 0.00 H new ATOM 0 HG3 MET A 72 -1.660 -5.309 1.875 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.594 -7.022 3.554 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.830 -6.859 3.382 1.00 0.00 H new ATOM 0 HE3 MET A 72 -2.571 -6.848 5.000 1.00 0.00 H new ATOM 1062 N VAL A 73 0.282 -1.400 0.963 1.00 0.00 N ATOM 1063 CA VAL A 73 0.667 -0.005 0.812 1.00 0.00 C ATOM 1064 C VAL A 73 -0.503 0.898 1.183 1.00 0.00 C ATOM 1065 O VAL A 73 -1.378 1.166 0.361 1.00 0.00 O ATOM 1066 CB VAL A 73 1.120 0.297 -0.632 1.00 0.00 C ATOM 1067 CG1 VAL A 73 1.391 1.785 -0.819 1.00 0.00 C ATOM 1068 CG2 VAL A 73 2.353 -0.523 -0.982 1.00 0.00 C ATOM 0 H VAL A 73 -0.617 -1.635 0.543 1.00 0.00 H new ATOM 0 HA VAL A 73 1.506 0.189 1.480 1.00 0.00 H new ATOM 0 HB VAL A 73 0.313 0.016 -1.309 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.709 1.971 -1.845 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.481 2.349 -0.613 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.177 2.101 -0.133 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.661 -0.299 -2.003 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.163 -0.273 -0.296 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.120 -1.584 -0.897 1.00 0.00 H new ATOM 1078 N VAL A 74 -0.518 1.349 2.431 1.00 0.00 N ATOM 1079 CA VAL A 74 -1.592 2.204 2.919 1.00 0.00 C ATOM 1080 C VAL A 74 -1.287 3.678 2.689 1.00 0.00 C ATOM 1081 O VAL A 74 -0.130 4.098 2.709 1.00 0.00 O ATOM 1082 CB VAL A 74 -1.862 1.974 4.420 1.00 0.00 C ATOM 1083 CG1 VAL A 74 -2.786 0.781 4.617 1.00 0.00 C ATOM 1084 CG2 VAL A 74 -0.565 1.784 5.193 1.00 0.00 C ATOM 0 H VAL A 74 0.201 1.137 3.123 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.482 1.933 2.350 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.354 2.864 4.813 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.966 0.632 5.682 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.733 0.967 4.111 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.321 -0.112 4.200 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.790 1.624 6.247 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.031 0.919 4.801 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.056 2.673 5.085 1.00 0.00 H new ATOM 1094 N VAL A 75 -2.340 4.459 2.478 1.00 0.00 N ATOM 1095 CA VAL A 75 -2.203 5.891 2.247 1.00 0.00 C ATOM 1096 C VAL A 75 -2.911 6.681 3.345 1.00 0.00 C ATOM 1097 O VAL A 75 -4.128 6.866 3.302 1.00 0.00 O ATOM 1098 CB VAL A 75 -2.777 6.296 0.876 1.00 0.00 C ATOM 1099 CG1 VAL A 75 -2.558 7.780 0.617 1.00 0.00 C ATOM 1100 CG2 VAL A 75 -2.153 5.459 -0.230 1.00 0.00 C ATOM 0 H VAL A 75 -3.303 4.122 2.462 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.138 6.123 2.261 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.851 6.109 0.885 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.971 8.044 -0.357 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -3.056 8.362 1.393 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.490 7.998 0.629 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.570 5.758 -1.192 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.074 5.613 -0.238 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.368 4.405 -0.054 1.00 0.00 H new ATOM 1110 N VAL A 76 -2.145 7.138 4.331 1.00 0.00 N ATOM 1111 CA VAL A 76 -2.704 7.899 5.442 1.00 0.00 C ATOM 1112 C VAL A 76 -2.852 9.375 5.088 1.00 0.00 C ATOM 1113 O VAL A 76 -1.879 10.129 5.100 1.00 0.00 O ATOM 1114 CB VAL A 76 -1.833 7.770 6.709 1.00 0.00 C ATOM 1115 CG1 VAL A 76 -0.416 8.256 6.439 1.00 0.00 C ATOM 1116 CG2 VAL A 76 -2.457 8.535 7.870 1.00 0.00 C ATOM 0 H VAL A 76 -1.136 6.994 4.383 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.690 7.479 5.642 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.783 6.717 6.985 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.182 8.157 7.345 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.028 7.658 5.644 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.442 9.302 6.135 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -1.828 8.432 8.754 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.543 9.589 7.607 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.448 8.132 8.081 1.00 0.00 H new ATOM 1126 N SER A 77 -4.080 9.781 4.782 1.00 0.00 N ATOM 1127 CA SER A 77 -4.359 11.168 4.436 1.00 0.00 C ATOM 1128 C SER A 77 -5.532 11.706 5.249 1.00 0.00 C ATOM 1129 O SER A 77 -6.424 10.955 5.638 1.00 0.00 O ATOM 1130 CB SER A 77 -4.660 11.290 2.941 1.00 0.00 C ATOM 1131 OG SER A 77 -4.437 12.611 2.481 1.00 0.00 O ATOM 0 H SER A 77 -4.896 9.169 4.767 1.00 0.00 H new ATOM 0 HA SER A 77 -3.475 11.761 4.672 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.031 10.596 2.383 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.695 11.006 2.751 1.00 0.00 H new ATOM 0 HG SER A 77 -4.635 12.661 1.523 1.00 0.00 H new ATOM 1137 N ASP A 78 -5.520 13.015 5.498 1.00 0.00 N ATOM 1138 CA ASP A 78 -6.581 13.678 6.261 1.00 0.00 C ATOM 1139 C ASP A 78 -7.958 13.117 5.916 1.00 0.00 C ATOM 1140 O ASP A 78 -8.661 12.577 6.770 1.00 0.00 O ATOM 1141 CB ASP A 78 -6.566 15.178 5.963 1.00 0.00 C ATOM 1142 CG ASP A 78 -6.501 16.021 7.216 1.00 0.00 C ATOM 1143 OD1 ASP A 78 -7.573 16.366 7.757 1.00 0.00 O ATOM 1144 OD2 ASP A 78 -5.380 16.335 7.662 1.00 0.00 O ATOM 0 H ASP A 78 -4.782 13.643 5.180 1.00 0.00 H new ATOM 0 HA ASP A 78 -6.392 13.497 7.319 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -5.710 15.410 5.329 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -7.461 15.441 5.399 1.00 0.00 H new ATOM 1149 N ASP A 79 -8.331 13.269 4.652 1.00 0.00 N ATOM 1150 CA ASP A 79 -9.624 12.805 4.154 1.00 0.00 C ATOM 1151 C ASP A 79 -9.870 11.325 4.453 1.00 0.00 C ATOM 1152 O ASP A 79 -11.005 10.856 4.370 1.00 0.00 O ATOM 1153 CB ASP A 79 -9.715 13.046 2.647 1.00 0.00 C ATOM 1154 CG ASP A 79 -10.285 14.410 2.311 1.00 0.00 C ATOM 1155 OD1 ASP A 79 -9.770 15.416 2.841 1.00 0.00 O ATOM 1156 OD2 ASP A 79 -11.248 14.471 1.518 1.00 0.00 O ATOM 0 H ASP A 79 -7.749 13.716 3.943 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.394 13.375 4.674 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -8.722 12.952 2.207 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.338 12.274 2.196 1.00 0.00 H new ATOM 1161 N TYR A 80 -8.815 10.587 4.788 1.00 0.00 N ATOM 1162 CA TYR A 80 -8.951 9.165 5.077 1.00 0.00 C ATOM 1163 C TYR A 80 -9.179 8.918 6.563 1.00 0.00 C ATOM 1164 O TYR A 80 -9.854 7.962 6.945 1.00 0.00 O ATOM 1165 CB TYR A 80 -7.707 8.409 4.609 1.00 0.00 C ATOM 1166 CG TYR A 80 -7.889 6.908 4.570 1.00 0.00 C ATOM 1167 CD1 TYR A 80 -9.059 6.342 4.080 1.00 0.00 C ATOM 1168 CD2 TYR A 80 -6.888 6.056 5.024 1.00 0.00 C ATOM 1169 CE1 TYR A 80 -9.228 4.971 4.043 1.00 0.00 C ATOM 1170 CE2 TYR A 80 -7.050 4.684 4.989 1.00 0.00 C ATOM 1171 CZ TYR A 80 -8.221 4.147 4.498 1.00 0.00 C ATOM 1172 OH TYR A 80 -8.385 2.781 4.462 1.00 0.00 O ATOM 0 H TYR A 80 -7.864 10.948 4.865 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.822 8.798 4.535 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -7.432 8.759 3.614 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -6.876 8.649 5.272 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -9.850 6.984 3.722 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -5.970 6.473 5.410 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -10.144 4.547 3.660 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -6.263 4.036 5.345 1.00 0.00 H new ATOM 0 HH TYR A 80 -7.582 2.346 4.818 1.00 0.00 H new ATOM 1182 N LEU A 81 -8.610 9.777 7.398 1.00 0.00 N ATOM 1183 CA LEU A 81 -8.748 9.642 8.836 1.00 0.00 C ATOM 1184 C LEU A 81 -10.087 10.183 9.312 1.00 0.00 C ATOM 1185 O LEU A 81 -10.661 9.684 10.281 1.00 0.00 O ATOM 1186 CB LEU A 81 -7.607 10.374 9.532 1.00 0.00 C ATOM 1187 CG LEU A 81 -6.222 9.817 9.237 1.00 0.00 C ATOM 1188 CD1 LEU A 81 -5.146 10.869 9.453 1.00 0.00 C ATOM 1189 CD2 LEU A 81 -5.962 8.612 10.108 1.00 0.00 C ATOM 0 H LEU A 81 -8.048 10.575 7.101 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.706 8.582 9.088 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.633 11.423 9.237 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.775 10.342 10.608 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.187 9.519 8.189 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.168 10.440 9.234 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.327 11.716 8.791 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.170 11.207 10.489 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.969 8.216 9.894 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.018 8.902 11.157 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.710 7.846 9.903 1.00 0.00 H new ATOM 1201 N GLN A 82 -10.587 11.200 8.622 1.00 0.00 N ATOM 1202 CA GLN A 82 -11.864 11.799 8.972 1.00 0.00 C ATOM 1203 C GLN A 82 -13.007 10.813 8.750 1.00 0.00 C ATOM 1204 O GLN A 82 -14.125 11.029 9.221 1.00 0.00 O ATOM 1205 CB GLN A 82 -12.097 13.065 8.148 1.00 0.00 C ATOM 1206 CG GLN A 82 -11.740 12.913 6.680 1.00 0.00 C ATOM 1207 CD GLN A 82 -12.712 13.634 5.767 1.00 0.00 C ATOM 1208 OE1 GLN A 82 -13.624 13.025 5.207 1.00 0.00 O ATOM 1209 NE2 GLN A 82 -12.521 14.938 5.610 1.00 0.00 N ATOM 0 H GLN A 82 -10.126 11.626 7.818 1.00 0.00 H new ATOM 0 HA GLN A 82 -11.838 12.062 10.029 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -13.145 13.353 8.230 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -11.509 13.878 8.573 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.735 13.299 6.512 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -11.722 11.854 6.422 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -11.752 15.403 6.093 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -13.143 15.475 5.006 1.00 0.00 H new ATOM 1218 N SER A 83 -12.724 9.729 8.028 1.00 0.00 N ATOM 1219 CA SER A 83 -13.731 8.715 7.746 1.00 0.00 C ATOM 1220 C SER A 83 -13.472 7.447 8.553 1.00 0.00 C ATOM 1221 O SER A 83 -12.367 7.229 9.049 1.00 0.00 O ATOM 1222 CB SER A 83 -13.751 8.389 6.252 1.00 0.00 C ATOM 1223 OG SER A 83 -14.954 7.733 5.888 1.00 0.00 O ATOM 0 H SER A 83 -11.806 9.534 7.630 1.00 0.00 H new ATOM 0 HA SER A 83 -14.703 9.114 8.037 1.00 0.00 H new ATOM 0 HB2 SER A 83 -13.645 9.308 5.675 1.00 0.00 H new ATOM 0 HB3 SER A 83 -12.899 7.757 6.003 1.00 0.00 H new ATOM 0 HG SER A 83 -14.942 7.537 4.928 1.00 0.00 H new ATOM 1229 N LYS A 84 -14.499 6.612 8.680 1.00 0.00 N ATOM 1230 CA LYS A 84 -14.388 5.364 9.423 1.00 0.00 C ATOM 1231 C LYS A 84 -13.605 4.320 8.633 1.00 0.00 C ATOM 1232 O LYS A 84 -13.054 3.379 9.207 1.00 0.00 O ATOM 1233 CB LYS A 84 -15.781 4.827 9.756 1.00 0.00 C ATOM 1234 CG LYS A 84 -16.745 4.855 8.581 1.00 0.00 C ATOM 1235 CD LYS A 84 -17.837 5.897 8.775 1.00 0.00 C ATOM 1236 CE LYS A 84 -17.992 6.782 7.549 1.00 0.00 C ATOM 1237 NZ LYS A 84 -18.330 5.991 6.333 1.00 0.00 N ATOM 0 H LYS A 84 -15.420 6.779 8.276 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.848 5.568 10.347 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -15.689 3.802 10.114 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -16.201 5.414 10.573 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -16.196 5.070 7.664 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -17.198 3.871 8.458 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -18.783 5.398 8.986 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -17.602 6.514 9.642 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -18.773 7.520 7.731 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -17.066 7.332 7.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -18.690 6.628 5.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -17.478 5.505 5.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -19.059 5.287 6.568 1.00 0.00 H new ATOM 1251 N GLU A 85 -13.555 4.488 7.314 1.00 0.00 N ATOM 1252 CA GLU A 85 -12.836 3.557 6.449 1.00 0.00 C ATOM 1253 C GLU A 85 -11.430 3.295 6.976 1.00 0.00 C ATOM 1254 O GLU A 85 -10.911 2.182 6.870 1.00 0.00 O ATOM 1255 CB GLU A 85 -12.765 4.107 5.023 1.00 0.00 C ATOM 1256 CG GLU A 85 -14.125 4.276 4.367 1.00 0.00 C ATOM 1257 CD GLU A 85 -14.027 4.490 2.869 1.00 0.00 C ATOM 1258 OE1 GLU A 85 -13.092 3.938 2.251 1.00 0.00 O ATOM 1259 OE2 GLU A 85 -14.885 5.209 2.315 1.00 0.00 O ATOM 0 H GLU A 85 -14.004 5.260 6.821 1.00 0.00 H new ATOM 0 HA GLU A 85 -13.381 2.613 6.442 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.257 5.071 5.039 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.158 3.437 4.414 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.732 3.393 4.565 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.639 5.124 4.819 1.00 0.00 H new ATOM 1266 N CYS A 86 -10.821 4.324 7.555 1.00 0.00 N ATOM 1267 CA CYS A 86 -9.479 4.201 8.107 1.00 0.00 C ATOM 1268 C CYS A 86 -9.522 3.475 9.444 1.00 0.00 C ATOM 1269 O CYS A 86 -8.584 2.764 9.803 1.00 0.00 O ATOM 1270 CB CYS A 86 -8.838 5.578 8.276 1.00 0.00 C ATOM 1271 SG CYS A 86 -7.166 5.533 8.963 1.00 0.00 S ATOM 0 H CYS A 86 -11.235 5.251 7.654 1.00 0.00 H new ATOM 0 HA CYS A 86 -8.874 3.621 7.411 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -8.808 6.075 7.306 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -9.470 6.184 8.925 1.00 0.00 H new ATOM 0 HG CYS A 86 -6.982 4.406 9.584 1.00 0.00 H new ATOM 1277 N ASP A 87 -10.620 3.650 10.172 1.00 0.00 N ATOM 1278 CA ASP A 87 -10.779 2.999 11.465 1.00 0.00 C ATOM 1279 C ASP A 87 -10.766 1.487 11.297 1.00 0.00 C ATOM 1280 O ASP A 87 -10.107 0.771 12.052 1.00 0.00 O ATOM 1281 CB ASP A 87 -12.079 3.447 12.136 1.00 0.00 C ATOM 1282 CG ASP A 87 -12.012 4.876 12.637 1.00 0.00 C ATOM 1283 OD1 ASP A 87 -11.514 5.744 11.888 1.00 0.00 O ATOM 1284 OD2 ASP A 87 -12.457 5.128 13.776 1.00 0.00 O ATOM 0 H ASP A 87 -11.408 4.234 9.890 1.00 0.00 H new ATOM 0 HA ASP A 87 -9.944 3.289 12.103 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -12.901 3.352 11.427 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -12.300 2.783 12.971 1.00 0.00 H new ATOM 1289 N PHE A 88 -11.483 1.009 10.285 1.00 0.00 N ATOM 1290 CA PHE A 88 -11.539 -0.417 9.999 1.00 0.00 C ATOM 1291 C PHE A 88 -10.162 -0.906 9.575 1.00 0.00 C ATOM 1292 O PHE A 88 -9.674 -1.928 10.057 1.00 0.00 O ATOM 1293 CB PHE A 88 -12.563 -0.705 8.900 1.00 0.00 C ATOM 1294 CG PHE A 88 -12.875 -2.166 8.737 1.00 0.00 C ATOM 1295 CD1 PHE A 88 -13.758 -2.800 9.595 1.00 0.00 C ATOM 1296 CD2 PHE A 88 -12.284 -2.904 7.724 1.00 0.00 C ATOM 1297 CE1 PHE A 88 -14.047 -4.143 9.448 1.00 0.00 C ATOM 1298 CE2 PHE A 88 -12.568 -4.248 7.571 1.00 0.00 C ATOM 1299 CZ PHE A 88 -13.451 -4.868 8.433 1.00 0.00 C ATOM 0 H PHE A 88 -12.032 1.589 9.651 1.00 0.00 H new ATOM 0 HA PHE A 88 -11.847 -0.946 10.901 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -13.485 -0.168 9.124 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -12.188 -0.314 7.954 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -14.227 -2.238 10.389 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -11.594 -2.424 7.046 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -14.737 -4.625 10.125 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.100 -4.813 6.778 1.00 0.00 H new ATOM 0 HZ PHE A 88 -13.676 -5.918 8.314 1.00 0.00 H new ATOM 1309 N GLN A 89 -9.528 -0.146 8.683 1.00 0.00 N ATOM 1310 CA GLN A 89 -8.193 -0.482 8.211 1.00 0.00 C ATOM 1311 C GLN A 89 -7.245 -0.589 9.397 1.00 0.00 C ATOM 1312 O GLN A 89 -6.486 -1.546 9.514 1.00 0.00 O ATOM 1313 CB GLN A 89 -7.690 0.575 7.227 1.00 0.00 C ATOM 1314 CG GLN A 89 -6.469 0.138 6.435 1.00 0.00 C ATOM 1315 CD GLN A 89 -5.203 0.847 6.877 1.00 0.00 C ATOM 1316 OE1 GLN A 89 -4.221 0.077 7.330 1.00 0.00 O flip ATOM 1317 NE2 GLN A 89 -5.108 2.073 6.811 1.00 0.00 N flip ATOM 0 H GLN A 89 -9.919 0.703 8.276 1.00 0.00 H new ATOM 0 HA GLN A 89 -8.232 -1.440 7.693 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -8.493 0.824 6.533 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.450 1.485 7.776 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -6.335 -0.938 6.545 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -6.639 0.332 5.376 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -5.888 2.627 6.456 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -4.250 2.535 7.111 1.00 0.00 H new ATOM 1326 N THR A 90 -7.322 0.398 10.285 1.00 0.00 N ATOM 1327 CA THR A 90 -6.500 0.431 11.487 1.00 0.00 C ATOM 1328 C THR A 90 -6.581 -0.876 12.239 1.00 0.00 C ATOM 1329 O THR A 90 -5.594 -1.591 12.345 1.00 0.00 O ATOM 1330 CB THR A 90 -6.945 1.584 12.391 1.00 0.00 C ATOM 1331 OG1 THR A 90 -6.982 2.807 11.675 1.00 0.00 O ATOM 1332 CG2 THR A 90 -6.051 1.787 13.594 1.00 0.00 C ATOM 0 H THR A 90 -7.954 1.193 10.191 1.00 0.00 H new ATOM 0 HA THR A 90 -5.464 0.585 11.187 1.00 0.00 H new ATOM 0 HB THR A 90 -7.938 1.301 12.739 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.789 2.837 11.120 1.00 0.00 H new ATOM 0 HG21 THR A 90 -6.426 2.620 14.189 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.045 0.881 14.200 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.037 2.007 13.261 1.00 0.00 H new ATOM 1340 N LYS A 91 -7.755 -1.186 12.761 1.00 0.00 N ATOM 1341 CA LYS A 91 -7.942 -2.416 13.515 1.00 0.00 C ATOM 1342 C LYS A 91 -7.391 -3.618 12.759 1.00 0.00 C ATOM 1343 O LYS A 91 -6.983 -4.608 13.365 1.00 0.00 O ATOM 1344 CB LYS A 91 -9.422 -2.622 13.841 1.00 0.00 C ATOM 1345 CG LYS A 91 -9.788 -2.252 15.268 1.00 0.00 C ATOM 1346 CD LYS A 91 -10.126 -0.775 15.391 1.00 0.00 C ATOM 1347 CE LYS A 91 -10.354 -0.373 16.840 1.00 0.00 C ATOM 1348 NZ LYS A 91 -11.533 -1.067 17.428 1.00 0.00 N ATOM 0 H LYS A 91 -8.590 -0.607 12.678 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.386 -2.325 14.448 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.023 -2.026 13.154 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.682 -3.666 13.667 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.640 -2.850 15.593 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.958 -2.493 15.932 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.316 -0.179 14.970 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.020 -0.555 14.807 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.465 -0.607 17.426 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.500 0.706 16.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.727 -0.681 18.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -12.362 -0.921 16.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.334 -2.085 17.504 1.00 0.00 H new ATOM 1362 N PHE A 92 -7.371 -3.527 11.437 1.00 0.00 N ATOM 1363 CA PHE A 92 -6.854 -4.611 10.617 1.00 0.00 C ATOM 1364 C PHE A 92 -5.363 -4.425 10.349 1.00 0.00 C ATOM 1365 O PHE A 92 -4.651 -5.385 10.051 1.00 0.00 O ATOM 1366 CB PHE A 92 -7.624 -4.695 9.296 1.00 0.00 C ATOM 1367 CG PHE A 92 -8.113 -6.078 8.972 1.00 0.00 C ATOM 1368 CD1 PHE A 92 -9.236 -6.594 9.600 1.00 0.00 C ATOM 1369 CD2 PHE A 92 -7.453 -6.861 8.040 1.00 0.00 C ATOM 1370 CE1 PHE A 92 -9.690 -7.865 9.302 1.00 0.00 C ATOM 1371 CE2 PHE A 92 -7.902 -8.134 7.739 1.00 0.00 C ATOM 1372 CZ PHE A 92 -9.022 -8.635 8.371 1.00 0.00 C ATOM 0 H PHE A 92 -7.705 -2.718 10.912 1.00 0.00 H new ATOM 0 HA PHE A 92 -6.990 -5.545 11.162 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -8.477 -4.018 9.339 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.981 -4.347 8.487 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -9.762 -5.996 10.330 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -6.577 -6.473 7.542 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -10.567 -8.256 9.797 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -7.377 -8.735 7.011 1.00 0.00 H new ATOM 0 HZ PHE A 92 -9.375 -9.628 8.137 1.00 0.00 H new ATOM 1382 N ALA A 93 -4.897 -3.186 10.462 1.00 0.00 N ATOM 1383 CA ALA A 93 -3.492 -2.872 10.237 1.00 0.00 C ATOM 1384 C ALA A 93 -2.695 -2.941 11.535 1.00 0.00 C ATOM 1385 O ALA A 93 -1.499 -3.234 11.528 1.00 0.00 O ATOM 1386 CB ALA A 93 -3.356 -1.499 9.603 1.00 0.00 C ATOM 0 H ALA A 93 -5.474 -2.382 10.709 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.084 -3.618 9.555 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.302 -1.276 9.440 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -3.881 -1.485 8.648 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -3.787 -0.748 10.265 1.00 0.00 H new ATOM 1392 N LEU A 94 -3.365 -2.673 12.647 1.00 0.00 N ATOM 1393 CA LEU A 94 -2.725 -2.705 13.953 1.00 0.00 C ATOM 1394 C LEU A 94 -2.703 -4.120 14.490 1.00 0.00 C ATOM 1395 O LEU A 94 -1.671 -4.630 14.925 1.00 0.00 O ATOM 1396 CB LEU A 94 -3.474 -1.794 14.920 1.00 0.00 C ATOM 1397 CG LEU A 94 -4.997 -1.958 14.974 1.00 0.00 C ATOM 1398 CD1 LEU A 94 -5.396 -2.990 16.001 1.00 0.00 C ATOM 1399 CD2 LEU A 94 -5.661 -0.626 15.285 1.00 0.00 C ATOM 0 H LEU A 94 -4.355 -2.430 12.670 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.699 -2.352 13.851 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.077 -1.960 15.922 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.251 -0.760 14.656 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.334 -2.303 13.996 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.482 -3.086 16.018 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.951 -3.951 15.743 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.044 -2.679 16.985 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.742 -0.758 15.320 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.309 -0.260 16.249 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.409 0.096 14.509 1.00 0.00 H new ATOM 1411 N SER A 95 -3.862 -4.738 14.438 1.00 0.00 N ATOM 1412 CA SER A 95 -4.030 -6.111 14.905 1.00 0.00 C ATOM 1413 C SER A 95 -4.230 -7.056 13.725 1.00 0.00 C ATOM 1414 O SER A 95 -5.216 -7.789 13.659 1.00 0.00 O ATOM 1415 CB SER A 95 -5.215 -6.216 15.869 1.00 0.00 C ATOM 1416 OG SER A 95 -6.445 -6.231 15.170 1.00 0.00 O ATOM 0 H SER A 95 -4.715 -4.313 14.074 1.00 0.00 H new ATOM 0 HA SER A 95 -3.124 -6.400 15.437 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.122 -7.123 16.466 1.00 0.00 H new ATOM 0 HB3 SER A 95 -5.198 -5.375 16.563 1.00 0.00 H new ATOM 0 HG SER A 95 -6.593 -5.358 14.749 1.00 0.00 H new ATOM 1422 N LEU A 96 -3.284 -7.026 12.795 1.00 0.00 N ATOM 1423 CA LEU A 96 -3.350 -7.879 11.608 1.00 0.00 C ATOM 1424 C LEU A 96 -2.846 -9.286 11.923 1.00 0.00 C ATOM 1425 O LEU A 96 -3.632 -10.203 12.158 1.00 0.00 O ATOM 1426 CB LEU A 96 -2.543 -7.285 10.441 1.00 0.00 C ATOM 1427 CG LEU A 96 -1.742 -6.018 10.750 1.00 0.00 C ATOM 1428 CD1 LEU A 96 -0.472 -6.355 11.517 1.00 0.00 C ATOM 1429 CD2 LEU A 96 -1.406 -5.286 9.464 1.00 0.00 C ATOM 0 H LEU A 96 -2.462 -6.423 12.836 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.396 -7.935 11.307 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.853 -8.047 10.079 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.232 -7.065 9.625 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.353 -5.368 11.376 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.081 -5.439 11.725 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.733 -6.843 12.456 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.147 -7.025 10.920 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.836 -4.386 9.696 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.813 -5.935 8.820 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.327 -5.010 8.951 1.00 0.00 H new ATOM 1441 N SER A 97 -1.526 -9.445 11.923 1.00 0.00 N ATOM 1442 CA SER A 97 -0.900 -10.729 12.204 1.00 0.00 C ATOM 1443 C SER A 97 0.075 -10.602 13.375 1.00 0.00 C ATOM 1444 O SER A 97 0.264 -9.514 13.914 1.00 0.00 O ATOM 1445 CB SER A 97 -0.171 -11.237 10.958 1.00 0.00 C ATOM 1446 OG SER A 97 -0.682 -12.493 10.543 1.00 0.00 O ATOM 0 H SER A 97 -0.866 -8.692 11.729 1.00 0.00 H new ATOM 0 HA SER A 97 -1.674 -11.446 12.477 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.278 -10.513 10.150 1.00 0.00 H new ATOM 0 HB3 SER A 97 0.895 -11.326 11.168 1.00 0.00 H new ATOM 0 HG SER A 97 0.057 -13.067 10.253 1.00 0.00 H new ATOM 1452 N PRO A 98 0.704 -11.716 13.790 1.00 0.00 N ATOM 1453 CA PRO A 98 1.653 -11.712 14.906 1.00 0.00 C ATOM 1454 C PRO A 98 3.010 -11.127 14.523 1.00 0.00 C ATOM 1455 O PRO A 98 3.974 -11.860 14.312 1.00 0.00 O ATOM 1456 CB PRO A 98 1.787 -13.193 15.253 1.00 0.00 C ATOM 1457 CG PRO A 98 1.546 -13.897 13.964 1.00 0.00 C ATOM 1458 CD PRO A 98 0.537 -13.067 13.214 1.00 0.00 C ATOM 0 HA PRO A 98 1.307 -11.092 15.733 1.00 0.00 H new ATOM 0 HB2 PRO A 98 2.776 -13.420 15.651 1.00 0.00 H new ATOM 0 HB3 PRO A 98 1.062 -13.491 16.010 1.00 0.00 H new ATOM 0 HG2 PRO A 98 2.470 -13.994 13.395 1.00 0.00 H new ATOM 0 HG3 PRO A 98 1.170 -14.906 14.136 1.00 0.00 H new ATOM 0 HD2 PRO A 98 0.731 -13.073 12.141 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -0.477 -13.442 13.357 1.00 0.00 H new ATOM 1466 N GLY A 99 3.078 -9.801 14.443 1.00 0.00 N ATOM 1467 CA GLY A 99 4.325 -9.145 14.094 1.00 0.00 C ATOM 1468 C GLY A 99 4.371 -8.694 12.647 1.00 0.00 C ATOM 1469 O GLY A 99 5.315 -9.008 11.922 1.00 0.00 O ATOM 0 H GLY A 99 2.294 -9.171 14.613 1.00 0.00 H new ATOM 0 HA2 GLY A 99 4.469 -8.281 14.743 1.00 0.00 H new ATOM 0 HA3 GLY A 99 5.154 -9.827 14.283 1.00 0.00 H new ATOM 1473 N ALA A 100 3.352 -7.953 12.225 1.00 0.00 N ATOM 1474 CA ALA A 100 3.286 -7.458 10.854 1.00 0.00 C ATOM 1475 C ALA A 100 2.578 -6.106 10.787 1.00 0.00 C ATOM 1476 O ALA A 100 1.709 -5.893 9.941 1.00 0.00 O ATOM 1477 CB ALA A 100 2.583 -8.471 9.962 1.00 0.00 C ATOM 0 H ALA A 100 2.562 -7.682 12.811 1.00 0.00 H new ATOM 0 HA ALA A 100 4.306 -7.319 10.495 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.540 -8.090 8.942 1.00 0.00 H new ATOM 0 HB2 ALA A 100 3.134 -9.411 9.975 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.571 -8.638 10.329 1.00 0.00 H new ATOM 1483 N HIS A 101 2.954 -5.197 11.681 1.00 0.00 N ATOM 1484 CA HIS A 101 2.353 -3.868 11.719 1.00 0.00 C ATOM 1485 C HIS A 101 3.037 -2.932 10.731 1.00 0.00 C ATOM 1486 O HIS A 101 2.381 -2.281 9.918 1.00 0.00 O ATOM 1487 CB HIS A 101 2.438 -3.285 13.131 1.00 0.00 C ATOM 1488 CG HIS A 101 1.621 -2.044 13.320 1.00 0.00 C ATOM 1489 ND1 HIS A 101 1.750 -1.217 14.414 1.00 0.00 N ATOM 1490 CD2 HIS A 101 0.658 -1.490 12.544 1.00 0.00 C ATOM 1491 CE1 HIS A 101 0.903 -0.209 14.307 1.00 0.00 C ATOM 1492 NE2 HIS A 101 0.230 -0.351 13.180 1.00 0.00 N ATOM 0 H HIS A 101 3.671 -5.356 12.388 1.00 0.00 H new ATOM 0 HA HIS A 101 1.305 -3.965 11.435 1.00 0.00 H new ATOM 0 HB2 HIS A 101 2.109 -4.039 13.846 1.00 0.00 H new ATOM 0 HB3 HIS A 101 3.480 -3.062 13.360 1.00 0.00 H new ATOM 0 HD1 HIS A 101 2.399 -1.361 15.187 1.00 0.00 H new ATOM 0 HD2 HIS A 101 0.295 -1.873 11.602 1.00 0.00 H new ATOM 0 HE1 HIS A 101 0.782 0.594 15.019 1.00 0.00 H new ATOM 1501 N GLN A 102 4.359 -2.876 10.807 1.00 0.00 N ATOM 1502 CA GLN A 102 5.140 -2.024 9.920 1.00 0.00 C ATOM 1503 C GLN A 102 6.196 -2.839 9.181 1.00 0.00 C ATOM 1504 O GLN A 102 7.275 -2.338 8.866 1.00 0.00 O ATOM 1505 CB GLN A 102 5.811 -0.901 10.715 1.00 0.00 C ATOM 1506 CG GLN A 102 6.605 -1.397 11.912 1.00 0.00 C ATOM 1507 CD GLN A 102 7.589 -0.363 12.426 1.00 0.00 C ATOM 1508 OE1 GLN A 102 7.312 0.350 13.390 1.00 0.00 O ATOM 1509 NE2 GLN A 102 8.746 -0.278 11.781 1.00 0.00 N ATOM 0 H GLN A 102 4.914 -3.411 11.475 1.00 0.00 H new ATOM 0 HA GLN A 102 4.463 -1.585 9.187 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.475 -0.345 10.053 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.047 -0.204 11.059 1.00 0.00 H new ATOM 0 HG2 GLN A 102 5.917 -1.669 12.713 1.00 0.00 H new ATOM 0 HG3 GLN A 102 7.146 -2.302 11.635 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.933 -0.890 10.986 1.00 0.00 H new ATOM 0 HE22 GLN A 102 9.448 0.399 12.080 1.00 0.00 H new ATOM 1518 N LYS A 103 5.877 -4.101 8.912 1.00 0.00 N ATOM 1519 CA LYS A 103 6.796 -4.991 8.218 1.00 0.00 C ATOM 1520 C LYS A 103 6.296 -5.316 6.813 1.00 0.00 C ATOM 1521 O LYS A 103 7.088 -5.454 5.880 1.00 0.00 O ATOM 1522 CB LYS A 103 6.974 -6.281 9.017 1.00 0.00 C ATOM 1523 CG LYS A 103 8.102 -6.216 10.035 1.00 0.00 C ATOM 1524 CD LYS A 103 7.849 -5.142 11.080 1.00 0.00 C ATOM 1525 CE LYS A 103 8.446 -5.523 12.426 1.00 0.00 C ATOM 1526 NZ LYS A 103 7.804 -4.782 13.548 1.00 0.00 N ATOM 0 H LYS A 103 4.987 -4.529 9.165 1.00 0.00 H new ATOM 0 HA LYS A 103 7.756 -4.483 8.128 1.00 0.00 H new ATOM 0 HB2 LYS A 103 6.042 -6.510 9.534 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.166 -7.103 8.327 1.00 0.00 H new ATOM 0 HG2 LYS A 103 8.207 -7.184 10.525 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.043 -6.013 9.524 1.00 0.00 H new ATOM 0 HD2 LYS A 103 8.278 -4.198 10.744 1.00 0.00 H new ATOM 0 HD3 LYS A 103 6.776 -4.984 11.188 1.00 0.00 H new ATOM 0 HE2 LYS A 103 8.329 -6.595 12.585 1.00 0.00 H new ATOM 0 HE3 LYS A 103 9.516 -5.317 12.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 8.239 -5.070 14.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 7.937 -3.760 13.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 6.787 -4.998 13.570 1.00 0.00 H new ATOM 1540 N ARG A 104 4.981 -5.447 6.670 1.00 0.00 N ATOM 1541 CA ARG A 104 4.381 -5.767 5.379 1.00 0.00 C ATOM 1542 C ARG A 104 3.669 -4.556 4.781 1.00 0.00 C ATOM 1543 O ARG A 104 3.748 -4.310 3.578 1.00 0.00 O ATOM 1544 CB ARG A 104 3.396 -6.928 5.526 1.00 0.00 C ATOM 1545 CG ARG A 104 3.914 -8.062 6.396 1.00 0.00 C ATOM 1546 CD ARG A 104 2.967 -9.252 6.385 1.00 0.00 C ATOM 1547 NE ARG A 104 3.460 -10.335 5.539 1.00 0.00 N ATOM 1548 CZ ARG A 104 3.013 -11.587 5.601 1.00 0.00 C ATOM 1549 NH1 ARG A 104 2.062 -11.918 6.468 1.00 0.00 N ATOM 1550 NH2 ARG A 104 3.515 -12.511 4.795 1.00 0.00 N ATOM 0 H ARG A 104 4.311 -5.337 7.431 1.00 0.00 H new ATOM 0 HA ARG A 104 5.184 -6.058 4.702 1.00 0.00 H new ATOM 0 HB2 ARG A 104 2.465 -6.552 5.951 1.00 0.00 H new ATOM 0 HB3 ARG A 104 3.159 -7.320 4.537 1.00 0.00 H new ATOM 0 HG2 ARG A 104 4.896 -8.374 6.041 1.00 0.00 H new ATOM 0 HG3 ARG A 104 4.042 -7.708 7.419 1.00 0.00 H new ATOM 0 HD2 ARG A 104 2.834 -9.619 7.403 1.00 0.00 H new ATOM 0 HD3 ARG A 104 1.987 -8.932 6.031 1.00 0.00 H new ATOM 0 HE ARG A 104 4.190 -10.119 4.860 1.00 0.00 H new ATOM 0 HH11 ARG A 104 1.671 -11.211 7.090 1.00 0.00 H new ATOM 0 HH12 ARG A 104 1.723 -12.879 6.511 1.00 0.00 H new ATOM 0 HH21 ARG A 104 4.244 -12.263 4.127 1.00 0.00 H new ATOM 0 HH22 ARG A 104 3.172 -13.470 4.843 1.00 0.00 H new ATOM 1564 N LEU A 105 2.971 -3.807 5.626 1.00 0.00 N ATOM 1565 CA LEU A 105 2.241 -2.625 5.174 1.00 0.00 C ATOM 1566 C LEU A 105 3.033 -1.352 5.453 1.00 0.00 C ATOM 1567 O LEU A 105 3.719 -1.247 6.471 1.00 0.00 O ATOM 1568 CB LEU A 105 0.870 -2.544 5.851 1.00 0.00 C ATOM 1569 CG LEU A 105 0.784 -3.186 7.237 1.00 0.00 C ATOM 1570 CD1 LEU A 105 -0.337 -2.556 8.050 1.00 0.00 C ATOM 1571 CD2 LEU A 105 0.577 -4.688 7.112 1.00 0.00 C ATOM 0 H LEU A 105 2.894 -3.995 6.626 1.00 0.00 H new ATOM 0 HA LEU A 105 2.099 -2.716 4.097 1.00 0.00 H new ATOM 0 HB2 LEU A 105 0.587 -1.495 5.937 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.135 -3.020 5.202 1.00 0.00 H new ATOM 0 HG LEU A 105 1.724 -3.009 7.759 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.382 -3.026 9.032 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -0.147 -1.489 8.166 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.286 -2.701 7.534 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.518 -5.131 8.106 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.349 -4.884 6.572 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.414 -5.127 6.569 1.00 0.00 H new ATOM 1583 N ILE A 106 2.933 -0.387 4.545 1.00 0.00 N ATOM 1584 CA ILE A 106 3.642 0.878 4.700 1.00 0.00 C ATOM 1585 C ILE A 106 2.745 2.069 4.359 1.00 0.00 C ATOM 1586 O ILE A 106 2.153 2.120 3.280 1.00 0.00 O ATOM 1587 CB ILE A 106 4.903 0.935 3.814 1.00 0.00 C ATOM 1588 CG1 ILE A 106 4.592 0.428 2.399 1.00 0.00 C ATOM 1589 CG2 ILE A 106 6.034 0.138 4.449 1.00 0.00 C ATOM 1590 CD1 ILE A 106 4.720 -1.073 2.235 1.00 0.00 C ATOM 0 H ILE A 106 2.370 -0.456 3.697 1.00 0.00 H new ATOM 0 HA ILE A 106 3.937 0.938 5.747 1.00 0.00 H new ATOM 0 HB ILE A 106 5.226 1.973 3.733 1.00 0.00 H new ATOM 0 HG12 ILE A 106 3.578 0.726 2.133 1.00 0.00 H new ATOM 0 HG13 ILE A 106 5.263 0.918 1.694 1.00 0.00 H new ATOM 0 HG21 ILE A 106 6.917 0.188 3.812 1.00 0.00 H new ATOM 0 HG22 ILE A 106 6.269 0.556 5.428 1.00 0.00 H new ATOM 0 HG23 ILE A 106 5.727 -0.902 4.563 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.483 -1.348 1.207 1.00 0.00 H new ATOM 0 HD12 ILE A 106 5.740 -1.379 2.467 1.00 0.00 H new ATOM 0 HD13 ILE A 106 4.028 -1.573 2.913 1.00 0.00 H new ATOM 1602 N PRO A 107 2.631 3.047 5.279 1.00 0.00 N ATOM 1603 CA PRO A 107 1.805 4.244 5.074 1.00 0.00 C ATOM 1604 C PRO A 107 2.441 5.231 4.101 1.00 0.00 C ATOM 1605 O PRO A 107 3.664 5.323 4.000 1.00 0.00 O ATOM 1606 CB PRO A 107 1.728 4.856 6.471 1.00 0.00 C ATOM 1607 CG PRO A 107 2.999 4.437 7.125 1.00 0.00 C ATOM 1608 CD PRO A 107 3.297 3.061 6.596 1.00 0.00 C ATOM 0 HA PRO A 107 0.835 4.001 4.640 1.00 0.00 H new ATOM 0 HB2 PRO A 107 1.643 5.942 6.426 1.00 0.00 H new ATOM 0 HB3 PRO A 107 0.859 4.490 7.018 1.00 0.00 H new ATOM 0 HG2 PRO A 107 3.807 5.130 6.890 1.00 0.00 H new ATOM 0 HG3 PRO A 107 2.895 4.425 8.210 1.00 0.00 H new ATOM 0 HD2 PRO A 107 4.370 2.889 6.505 1.00 0.00 H new ATOM 0 HD3 PRO A 107 2.904 2.285 7.253 1.00 0.00 H new ATOM 1616 N ILE A 108 1.597 5.971 3.390 1.00 0.00 N ATOM 1617 CA ILE A 108 2.065 6.959 2.426 1.00 0.00 C ATOM 1618 C ILE A 108 1.069 8.113 2.313 1.00 0.00 C ATOM 1619 O ILE A 108 -0.099 7.972 2.675 1.00 0.00 O ATOM 1620 CB ILE A 108 2.283 6.315 1.037 1.00 0.00 C ATOM 1621 CG1 ILE A 108 3.463 5.341 1.086 1.00 0.00 C ATOM 1622 CG2 ILE A 108 2.519 7.376 -0.030 1.00 0.00 C ATOM 1623 CD1 ILE A 108 3.073 3.935 1.482 1.00 0.00 C ATOM 0 H ILE A 108 0.582 5.904 3.464 1.00 0.00 H new ATOM 0 HA ILE A 108 3.019 7.348 2.782 1.00 0.00 H new ATOM 0 HB ILE A 108 1.379 5.766 0.773 1.00 0.00 H new ATOM 0 HG12 ILE A 108 3.942 5.314 0.107 1.00 0.00 H new ATOM 0 HG13 ILE A 108 4.203 5.716 1.793 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.669 6.894 -0.996 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.653 8.036 -0.085 1.00 0.00 H new ATOM 0 HG23 ILE A 108 3.404 7.959 0.226 1.00 0.00 H new ATOM 0 HD11 ILE A 108 3.960 3.301 1.495 1.00 0.00 H new ATOM 0 HD12 ILE A 108 2.622 3.948 2.474 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.356 3.540 0.762 1.00 0.00 H new ATOM 1635 N LYS A 109 1.535 9.253 1.813 1.00 0.00 N ATOM 1636 CA LYS A 109 0.675 10.421 1.660 1.00 0.00 C ATOM 1637 C LYS A 109 1.410 11.561 0.963 1.00 0.00 C ATOM 1638 O LYS A 109 2.631 11.688 1.072 1.00 0.00 O ATOM 1639 CB LYS A 109 0.161 10.886 3.025 1.00 0.00 C ATOM 1640 CG LYS A 109 1.237 11.491 3.916 1.00 0.00 C ATOM 1641 CD LYS A 109 1.780 10.474 4.906 1.00 0.00 C ATOM 1642 CE LYS A 109 2.802 11.098 5.841 1.00 0.00 C ATOM 1643 NZ LYS A 109 2.343 12.413 6.370 1.00 0.00 N ATOM 0 H LYS A 109 2.498 9.393 1.508 1.00 0.00 H new ATOM 0 HA LYS A 109 -0.173 10.132 1.039 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -0.628 11.623 2.873 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -0.290 10.038 3.541 1.00 0.00 H new ATOM 0 HG2 LYS A 109 2.052 11.869 3.298 1.00 0.00 H new ATOM 0 HG3 LYS A 109 0.825 12.343 4.457 1.00 0.00 H new ATOM 0 HD2 LYS A 109 0.958 10.058 5.489 1.00 0.00 H new ATOM 0 HD3 LYS A 109 2.238 9.646 4.365 1.00 0.00 H new ATOM 0 HE2 LYS A 109 2.995 10.420 6.672 1.00 0.00 H new ATOM 0 HE3 LYS A 109 3.746 11.229 5.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 2.774 12.582 7.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 2.627 13.169 5.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 1.307 12.407 6.464 1.00 0.00 H new ATOM 1657 N TYR A 110 0.657 12.395 0.253 1.00 0.00 N ATOM 1658 CA TYR A 110 1.233 13.533 -0.454 1.00 0.00 C ATOM 1659 C TYR A 110 1.735 14.581 0.534 1.00 0.00 C ATOM 1660 O TYR A 110 2.646 15.351 0.230 1.00 0.00 O ATOM 1661 CB TYR A 110 0.194 14.153 -1.391 1.00 0.00 C ATOM 1662 CG TYR A 110 0.733 15.297 -2.222 1.00 0.00 C ATOM 1663 CD1 TYR A 110 1.486 15.055 -3.363 1.00 0.00 C ATOM 1664 CD2 TYR A 110 0.486 16.617 -1.865 1.00 0.00 C ATOM 1665 CE1 TYR A 110 1.981 16.096 -4.125 1.00 0.00 C ATOM 1666 CE2 TYR A 110 0.977 17.663 -2.623 1.00 0.00 C ATOM 1667 CZ TYR A 110 1.722 17.398 -3.753 1.00 0.00 C ATOM 1668 OH TYR A 110 2.212 18.437 -4.509 1.00 0.00 O ATOM 0 H TYR A 110 -0.354 12.304 0.152 1.00 0.00 H new ATOM 0 HA TYR A 110 2.078 13.179 -1.044 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -0.189 13.380 -2.057 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -0.649 14.510 -0.799 1.00 0.00 H new ATOM 0 HD1 TYR A 110 1.688 14.036 -3.660 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -0.098 16.829 -0.982 1.00 0.00 H new ATOM 0 HE1 TYR A 110 2.568 15.891 -5.008 1.00 0.00 H new ATOM 0 HE2 TYR A 110 0.778 18.684 -2.332 1.00 0.00 H new ATOM 0 HH TYR A 110 1.938 19.289 -4.110 1.00 0.00 H new ATOM 1678 N LYS A 111 1.135 14.602 1.722 1.00 0.00 N ATOM 1679 CA LYS A 111 1.518 15.550 2.759 1.00 0.00 C ATOM 1680 C LYS A 111 0.915 15.155 4.104 1.00 0.00 C ATOM 1681 O LYS A 111 -0.027 14.365 4.163 1.00 0.00 O ATOM 1682 CB LYS A 111 1.075 16.967 2.383 1.00 0.00 C ATOM 1683 CG LYS A 111 -0.326 17.033 1.797 1.00 0.00 C ATOM 1684 CD LYS A 111 -1.377 17.193 2.882 1.00 0.00 C ATOM 1685 CE LYS A 111 -2.781 16.998 2.333 1.00 0.00 C ATOM 1686 NZ LYS A 111 -3.100 17.981 1.262 1.00 0.00 N ATOM 0 H LYS A 111 0.380 13.970 1.988 1.00 0.00 H new ATOM 0 HA LYS A 111 2.604 15.532 2.846 1.00 0.00 H new ATOM 0 HB2 LYS A 111 1.119 17.599 3.270 1.00 0.00 H new ATOM 0 HB3 LYS A 111 1.781 17.380 1.662 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -0.391 17.869 1.100 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -0.526 16.126 1.226 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -1.193 16.471 3.677 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -1.294 18.185 3.327 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -2.879 15.987 1.938 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -3.504 17.096 3.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -4.093 17.870 0.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -2.949 18.946 1.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -2.481 17.815 0.443 1.00 0.00 H new ATOM 1700 N ALA A 112 1.467 15.704 5.179 1.00 0.00 N ATOM 1701 CA ALA A 112 0.990 15.406 6.524 1.00 0.00 C ATOM 1702 C ALA A 112 -0.446 15.882 6.725 1.00 0.00 C ATOM 1703 O ALA A 112 -0.887 16.844 6.097 1.00 0.00 O ATOM 1704 CB ALA A 112 1.907 16.039 7.560 1.00 0.00 C ATOM 0 H ALA A 112 2.248 16.360 5.145 1.00 0.00 H new ATOM 0 HA ALA A 112 1.003 14.324 6.652 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.540 15.809 8.560 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.916 15.643 7.444 1.00 0.00 H new ATOM 0 HB3 ALA A 112 1.924 17.120 7.419 1.00 0.00 H new ATOM 1710 N MET A 113 -1.168 15.198 7.609 1.00 0.00 N ATOM 1711 CA MET A 113 -2.553 15.543 7.905 1.00 0.00 C ATOM 1712 C MET A 113 -2.633 16.640 8.954 1.00 0.00 C ATOM 1713 O MET A 113 -1.943 16.597 9.972 1.00 0.00 O ATOM 1714 CB MET A 113 -3.311 14.309 8.393 1.00 0.00 C ATOM 1715 CG MET A 113 -3.282 13.151 7.409 1.00 0.00 C ATOM 1716 SD MET A 113 -1.873 12.052 7.666 1.00 0.00 S ATOM 1717 CE MET A 113 -2.051 11.666 9.407 1.00 0.00 C ATOM 0 H MET A 113 -0.814 14.399 8.134 1.00 0.00 H new ATOM 0 HA MET A 113 -3.010 15.910 6.986 1.00 0.00 H new ATOM 0 HB2 MET A 113 -2.884 13.981 9.341 1.00 0.00 H new ATOM 0 HB3 MET A 113 -4.348 14.583 8.589 1.00 0.00 H new ATOM 0 HG2 MET A 113 -4.205 12.579 7.501 1.00 0.00 H new ATOM 0 HG3 MET A 113 -3.250 13.544 6.393 1.00 0.00 H new ATOM 0 HE1 MET A 113 -1.210 12.085 9.960 1.00 0.00 H new ATOM 0 HE2 MET A 113 -2.981 12.094 9.781 1.00 0.00 H new ATOM 0 HE3 MET A 113 -2.070 10.584 9.540 1.00 0.00 H new ATOM 1727 N LYS A 114 -3.494 17.618 8.701 1.00 0.00 N ATOM 1728 CA LYS A 114 -3.688 18.725 9.624 1.00 0.00 C ATOM 1729 C LYS A 114 -4.388 18.253 10.897 1.00 0.00 C ATOM 1730 O LYS A 114 -4.512 19.009 11.861 1.00 0.00 O ATOM 1731 CB LYS A 114 -4.503 19.835 8.954 1.00 0.00 C ATOM 1732 CG LYS A 114 -3.806 21.185 8.952 1.00 0.00 C ATOM 1733 CD LYS A 114 -3.065 21.428 7.647 1.00 0.00 C ATOM 1734 CE LYS A 114 -1.702 20.755 7.646 1.00 0.00 C ATOM 1735 NZ LYS A 114 -0.783 21.361 8.649 1.00 0.00 N ATOM 0 H LYS A 114 -4.070 17.665 7.861 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.709 19.119 9.897 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -4.719 19.545 7.926 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.461 19.931 9.466 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -4.541 21.975 9.107 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -3.104 21.235 9.785 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -3.659 21.050 6.815 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -2.943 22.500 7.491 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -1.822 19.693 7.858 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -1.259 20.834 6.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 0.202 21.159 8.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -0.930 22.390 8.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -0.978 20.957 9.587 1.00 0.00 H new ATOM 1749 N LYS A 115 -4.845 16.999 10.900 1.00 0.00 N ATOM 1750 CA LYS A 115 -5.525 16.444 12.065 1.00 0.00 C ATOM 1751 C LYS A 115 -4.645 15.405 12.766 1.00 0.00 C ATOM 1752 O LYS A 115 -3.426 15.405 12.594 1.00 0.00 O ATOM 1753 CB LYS A 115 -6.895 15.869 11.683 1.00 0.00 C ATOM 1754 CG LYS A 115 -6.940 15.244 10.308 1.00 0.00 C ATOM 1755 CD LYS A 115 -6.292 13.879 10.312 1.00 0.00 C ATOM 1756 CE LYS A 115 -7.045 12.912 11.212 1.00 0.00 C ATOM 1757 NZ LYS A 115 -8.493 12.843 10.867 1.00 0.00 N ATOM 0 H LYS A 115 -4.756 16.355 10.114 1.00 0.00 H new ATOM 0 HA LYS A 115 -5.703 17.253 12.774 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -7.181 15.119 12.421 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -7.638 16.665 11.733 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -7.975 15.158 9.977 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -6.430 15.891 9.594 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -6.262 13.485 9.296 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -5.260 13.965 10.651 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -6.604 11.919 11.127 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -6.934 13.222 12.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -8.871 11.913 11.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -9.007 13.589 11.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -8.613 12.978 9.843 1.00 0.00 H new ATOM 1771 N GLU A 116 -5.252 14.542 13.578 1.00 0.00 N ATOM 1772 CA GLU A 116 -4.504 13.538 14.318 1.00 0.00 C ATOM 1773 C GLU A 116 -4.136 12.343 13.447 1.00 0.00 C ATOM 1774 O GLU A 116 -4.842 12.007 12.499 1.00 0.00 O ATOM 1775 CB GLU A 116 -5.316 13.061 15.524 1.00 0.00 C ATOM 1776 CG GLU A 116 -6.183 14.142 16.152 1.00 0.00 C ATOM 1777 CD GLU A 116 -7.652 13.981 15.814 1.00 0.00 C ATOM 1778 OE1 GLU A 116 -7.970 13.797 14.620 1.00 0.00 O ATOM 1779 OE2 GLU A 116 -8.485 14.041 16.743 1.00 0.00 O ATOM 0 H GLU A 116 -6.259 14.521 13.738 1.00 0.00 H new ATOM 0 HA GLU A 116 -3.579 14.005 14.655 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -5.953 12.232 15.215 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -4.632 12.673 16.279 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -6.059 14.119 17.235 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -5.841 15.120 15.813 1.00 0.00 H new ATOM 1786 N PHE A 117 -3.029 11.697 13.796 1.00 0.00 N ATOM 1787 CA PHE A 117 -2.562 10.527 13.068 1.00 0.00 C ATOM 1788 C PHE A 117 -2.947 9.257 13.817 1.00 0.00 C ATOM 1789 O PHE A 117 -2.991 9.240 15.048 1.00 0.00 O ATOM 1790 CB PHE A 117 -1.040 10.571 12.863 1.00 0.00 C ATOM 1791 CG PHE A 117 -0.368 11.774 13.464 1.00 0.00 C ATOM 1792 CD1 PHE A 117 -0.625 13.045 12.973 1.00 0.00 C ATOM 1793 CD2 PHE A 117 0.521 11.633 14.516 1.00 0.00 C ATOM 1794 CE1 PHE A 117 -0.009 14.153 13.522 1.00 0.00 C ATOM 1795 CE2 PHE A 117 1.141 12.738 15.070 1.00 0.00 C ATOM 1796 CZ PHE A 117 0.876 13.998 14.573 1.00 0.00 C ATOM 0 H PHE A 117 -2.437 11.967 14.582 1.00 0.00 H new ATOM 0 HA PHE A 117 -3.038 10.528 12.088 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -0.601 9.671 13.294 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -0.829 10.548 11.794 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -1.315 13.170 12.152 1.00 0.00 H new ATOM 0 HD2 PHE A 117 0.733 10.649 14.908 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -0.218 15.138 13.131 1.00 0.00 H new ATOM 0 HE2 PHE A 117 1.832 12.615 15.891 1.00 0.00 H new ATOM 0 HZ PHE A 117 1.359 14.862 15.005 1.00 0.00 H new ATOM 1806 N PRO A 118 -3.235 8.177 13.083 1.00 0.00 N ATOM 1807 CA PRO A 118 -3.621 6.904 13.674 1.00 0.00 C ATOM 1808 C PRO A 118 -2.425 6.088 14.127 1.00 0.00 C ATOM 1809 O PRO A 118 -1.361 6.151 13.515 1.00 0.00 O ATOM 1810 CB PRO A 118 -4.352 6.209 12.533 1.00 0.00 C ATOM 1811 CG PRO A 118 -3.694 6.720 11.298 1.00 0.00 C ATOM 1812 CD PRO A 118 -3.210 8.113 11.609 1.00 0.00 C ATOM 0 HA PRO A 118 -4.223 7.030 14.574 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -4.265 5.125 12.609 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -5.416 6.445 12.542 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -2.863 6.077 11.008 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -4.394 6.731 10.463 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -2.207 8.284 11.219 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -3.858 8.869 11.165 1.00 0.00 H new ATOM 1820 N SER A 119 -2.613 5.304 15.189 1.00 0.00 N ATOM 1821 CA SER A 119 -1.545 4.446 15.699 1.00 0.00 C ATOM 1822 C SER A 119 -1.199 3.451 14.609 1.00 0.00 C ATOM 1823 O SER A 119 -1.571 2.280 14.666 1.00 0.00 O ATOM 1824 CB SER A 119 -1.989 3.717 16.969 1.00 0.00 C ATOM 1825 OG SER A 119 -0.953 2.892 17.474 1.00 0.00 O ATOM 0 H SER A 119 -3.488 5.246 15.709 1.00 0.00 H new ATOM 0 HA SER A 119 -0.674 5.046 15.961 1.00 0.00 H new ATOM 0 HB2 SER A 119 -2.280 4.445 17.726 1.00 0.00 H new ATOM 0 HB3 SER A 119 -2.869 3.110 16.755 1.00 0.00 H new ATOM 0 HG SER A 119 -1.262 2.439 18.286 1.00 0.00 H new ATOM 1831 N ILE A 120 -0.550 3.966 13.578 1.00 0.00 N ATOM 1832 CA ILE A 120 -0.216 3.185 12.411 1.00 0.00 C ATOM 1833 C ILE A 120 1.009 3.768 11.708 1.00 0.00 C ATOM 1834 O ILE A 120 1.934 3.045 11.339 1.00 0.00 O ATOM 1835 CB ILE A 120 -1.445 3.195 11.474 1.00 0.00 C ATOM 1836 CG1 ILE A 120 -2.547 2.312 12.058 1.00 0.00 C ATOM 1837 CG2 ILE A 120 -1.104 2.765 10.061 1.00 0.00 C ATOM 1838 CD1 ILE A 120 -3.741 2.154 11.147 1.00 0.00 C ATOM 0 H ILE A 120 -0.242 4.937 13.532 1.00 0.00 H new ATOM 0 HA ILE A 120 0.032 2.162 12.695 1.00 0.00 H new ATOM 0 HB ILE A 120 -1.799 4.224 11.407 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -2.134 1.327 12.277 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -2.877 2.737 13.006 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -2.003 2.790 9.446 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -0.360 3.443 9.644 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -0.703 1.752 10.076 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -4.483 1.515 11.627 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -4.179 3.132 10.948 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -3.424 1.701 10.208 1.00 0.00 H new ATOM 1850 N LEU A 121 1.009 5.088 11.548 1.00 0.00 N ATOM 1851 CA LEU A 121 2.122 5.788 10.912 1.00 0.00 C ATOM 1852 C LEU A 121 2.735 6.803 11.875 1.00 0.00 C ATOM 1853 O LEU A 121 3.269 7.829 11.457 1.00 0.00 O ATOM 1854 CB LEU A 121 1.674 6.488 9.622 1.00 0.00 C ATOM 1855 CG LEU A 121 0.329 7.223 9.684 1.00 0.00 C ATOM 1856 CD1 LEU A 121 -0.825 6.233 9.652 1.00 0.00 C ATOM 1857 CD2 LEU A 121 0.249 8.110 10.918 1.00 0.00 C ATOM 0 H LEU A 121 0.249 5.697 11.851 1.00 0.00 H new ATOM 0 HA LEU A 121 2.877 5.046 10.651 1.00 0.00 H new ATOM 0 HB2 LEU A 121 2.444 7.205 9.336 1.00 0.00 H new ATOM 0 HB3 LEU A 121 1.621 5.743 8.828 1.00 0.00 H new ATOM 0 HG LEU A 121 0.252 7.864 8.806 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -1.770 6.774 9.697 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -0.782 5.654 8.730 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -0.751 5.560 10.507 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -0.714 8.620 10.938 1.00 0.00 H new ATOM 0 HD22 LEU A 121 0.354 7.498 11.814 1.00 0.00 H new ATOM 0 HD23 LEU A 121 1.050 8.849 10.888 1.00 0.00 H new ATOM 1869 N ARG A 122 2.642 6.507 13.170 1.00 0.00 N ATOM 1870 CA ARG A 122 3.174 7.387 14.207 1.00 0.00 C ATOM 1871 C ARG A 122 4.617 7.790 13.919 1.00 0.00 C ATOM 1872 O ARG A 122 4.973 8.964 14.010 1.00 0.00 O ATOM 1873 CB ARG A 122 3.084 6.709 15.574 1.00 0.00 C ATOM 1874 CG ARG A 122 3.682 5.312 15.601 1.00 0.00 C ATOM 1875 CD ARG A 122 3.078 4.472 16.716 1.00 0.00 C ATOM 1876 NE ARG A 122 3.406 3.057 16.573 1.00 0.00 N ATOM 1877 CZ ARG A 122 2.836 2.088 17.285 1.00 0.00 C ATOM 1878 NH1 ARG A 122 1.907 2.379 18.189 1.00 0.00 N ATOM 1879 NH2 ARG A 122 3.192 0.825 17.095 1.00 0.00 N ATOM 0 H ARG A 122 2.201 5.660 13.527 1.00 0.00 H new ATOM 0 HA ARG A 122 2.568 8.293 14.212 1.00 0.00 H new ATOM 0 HB2 ARG A 122 3.595 7.328 16.312 1.00 0.00 H new ATOM 0 HB3 ARG A 122 2.038 6.653 15.874 1.00 0.00 H new ATOM 0 HG2 ARG A 122 3.512 4.823 14.642 1.00 0.00 H new ATOM 0 HG3 ARG A 122 4.761 5.379 15.738 1.00 0.00 H new ATOM 0 HD2 ARG A 122 3.440 4.833 17.679 1.00 0.00 H new ATOM 0 HD3 ARG A 122 1.995 4.595 16.717 1.00 0.00 H new ATOM 0 HE ARG A 122 4.114 2.795 15.887 1.00 0.00 H new ATOM 0 HH11 ARG A 122 1.628 3.348 18.340 1.00 0.00 H new ATOM 0 HH12 ARG A 122 1.473 1.633 18.732 1.00 0.00 H new ATOM 0 HH21 ARG A 122 3.904 0.595 16.402 1.00 0.00 H new ATOM 0 HH22 ARG A 122 2.754 0.084 17.642 1.00 0.00 H new ATOM 1893 N PHE A 123 5.443 6.811 13.574 1.00 0.00 N ATOM 1894 CA PHE A 123 6.847 7.075 13.278 1.00 0.00 C ATOM 1895 C PHE A 123 7.472 5.920 12.505 1.00 0.00 C ATOM 1896 O PHE A 123 8.687 5.727 12.535 1.00 0.00 O ATOM 1897 CB PHE A 123 7.626 7.320 14.571 1.00 0.00 C ATOM 1898 CG PHE A 123 8.686 8.377 14.442 1.00 0.00 C ATOM 1899 CD1 PHE A 123 8.338 9.716 14.346 1.00 0.00 C ATOM 1900 CD2 PHE A 123 10.028 8.034 14.417 1.00 0.00 C ATOM 1901 CE1 PHE A 123 9.310 10.691 14.228 1.00 0.00 C ATOM 1902 CE2 PHE A 123 11.003 9.004 14.298 1.00 0.00 C ATOM 1903 CZ PHE A 123 10.644 10.335 14.203 1.00 0.00 C ATOM 0 H PHE A 123 5.168 5.832 13.492 1.00 0.00 H new ATOM 0 HA PHE A 123 6.896 7.969 12.657 1.00 0.00 H new ATOM 0 HB2 PHE A 123 6.928 7.611 15.356 1.00 0.00 H new ATOM 0 HB3 PHE A 123 8.092 6.387 14.888 1.00 0.00 H new ATOM 0 HD1 PHE A 123 7.296 10.000 14.364 1.00 0.00 H new ATOM 0 HD2 PHE A 123 10.315 6.995 14.491 1.00 0.00 H new ATOM 0 HE1 PHE A 123 9.027 11.731 14.155 1.00 0.00 H new ATOM 0 HE2 PHE A 123 12.046 8.723 14.279 1.00 0.00 H new ATOM 0 HZ PHE A 123 11.405 11.095 14.109 1.00 0.00 H new ATOM 1913 N ILE A 124 6.636 5.155 11.814 1.00 0.00 N ATOM 1914 CA ILE A 124 7.101 4.026 11.038 1.00 0.00 C ATOM 1915 C ILE A 124 7.472 4.462 9.622 1.00 0.00 C ATOM 1916 O ILE A 124 7.418 5.648 9.298 1.00 0.00 O ATOM 1917 CB ILE A 124 6.024 2.931 10.984 1.00 0.00 C ATOM 1918 CG1 ILE A 124 4.760 3.442 10.296 1.00 0.00 C ATOM 1919 CG2 ILE A 124 5.696 2.436 12.384 1.00 0.00 C ATOM 1920 CD1 ILE A 124 4.087 2.403 9.426 1.00 0.00 C ATOM 0 H ILE A 124 5.627 5.302 11.779 1.00 0.00 H new ATOM 0 HA ILE A 124 7.990 3.623 11.524 1.00 0.00 H new ATOM 0 HB ILE A 124 6.419 2.099 10.401 1.00 0.00 H new ATOM 0 HG12 ILE A 124 4.055 3.782 11.054 1.00 0.00 H new ATOM 0 HG13 ILE A 124 5.013 4.308 9.685 1.00 0.00 H new ATOM 0 HG21 ILE A 124 4.932 1.661 12.326 1.00 0.00 H new ATOM 0 HG22 ILE A 124 6.595 2.026 12.845 1.00 0.00 H new ATOM 0 HG23 ILE A 124 5.326 3.266 12.986 1.00 0.00 H new ATOM 0 HD11 ILE A 124 3.196 2.833 8.968 1.00 0.00 H new ATOM 0 HD12 ILE A 124 4.776 2.080 8.646 1.00 0.00 H new ATOM 0 HD13 ILE A 124 3.803 1.546 10.037 1.00 0.00 H new ATOM 1932 N THR A 125 7.851 3.504 8.782 1.00 0.00 N ATOM 1933 CA THR A 125 8.232 3.805 7.404 1.00 0.00 C ATOM 1934 C THR A 125 7.140 4.604 6.696 1.00 0.00 C ATOM 1935 O THR A 125 6.153 4.041 6.228 1.00 0.00 O ATOM 1936 CB THR A 125 8.507 2.514 6.634 1.00 0.00 C ATOM 1937 OG1 THR A 125 9.532 1.763 7.261 1.00 0.00 O ATOM 1938 CG2 THR A 125 8.926 2.753 5.200 1.00 0.00 C ATOM 0 H THR A 125 7.903 2.516 9.029 1.00 0.00 H new ATOM 0 HA THR A 125 9.140 4.407 7.432 1.00 0.00 H new ATOM 0 HB THR A 125 7.563 1.970 6.636 1.00 0.00 H new ATOM 0 HG1 THR A 125 9.692 0.940 6.754 1.00 0.00 H new ATOM 0 HG21 THR A 125 9.106 1.796 4.709 1.00 0.00 H new ATOM 0 HG22 THR A 125 8.135 3.287 4.674 1.00 0.00 H new ATOM 0 HG23 THR A 125 9.839 3.347 5.182 1.00 0.00 H new ATOM 1946 N VAL A 126 7.323 5.918 6.623 1.00 0.00 N ATOM 1947 CA VAL A 126 6.350 6.786 5.977 1.00 0.00 C ATOM 1948 C VAL A 126 6.933 7.451 4.733 1.00 0.00 C ATOM 1949 O VAL A 126 8.083 7.890 4.731 1.00 0.00 O ATOM 1950 CB VAL A 126 5.843 7.871 6.947 1.00 0.00 C ATOM 1951 CG1 VAL A 126 6.950 8.861 7.283 1.00 0.00 C ATOM 1952 CG2 VAL A 126 4.632 8.586 6.367 1.00 0.00 C ATOM 0 H VAL A 126 8.136 6.403 7.003 1.00 0.00 H new ATOM 0 HA VAL A 126 5.513 6.156 5.677 1.00 0.00 H new ATOM 0 HB VAL A 126 5.538 7.383 7.873 1.00 0.00 H new ATOM 0 HG11 VAL A 126 6.567 9.616 7.969 1.00 0.00 H new ATOM 0 HG12 VAL A 126 7.780 8.333 7.752 1.00 0.00 H new ATOM 0 HG13 VAL A 126 7.297 9.343 6.369 1.00 0.00 H new ATOM 0 HG21 VAL A 126 4.290 9.348 7.067 1.00 0.00 H new ATOM 0 HG22 VAL A 126 4.905 9.057 5.423 1.00 0.00 H new ATOM 0 HG23 VAL A 126 3.832 7.866 6.195 1.00 0.00 H new ATOM 1962 N CYS A 127 6.127 7.521 3.677 1.00 0.00 N ATOM 1963 CA CYS A 127 6.558 8.133 2.424 1.00 0.00 C ATOM 1964 C CYS A 127 5.829 9.450 2.181 1.00 0.00 C ATOM 1965 O CYS A 127 4.647 9.463 1.833 1.00 0.00 O ATOM 1966 CB CYS A 127 6.311 7.177 1.256 1.00 0.00 C ATOM 1967 SG CYS A 127 7.587 7.229 -0.024 1.00 0.00 S ATOM 0 H CYS A 127 5.172 7.162 3.664 1.00 0.00 H new ATOM 0 HA CYS A 127 7.626 8.339 2.498 1.00 0.00 H new ATOM 0 HB2 CYS A 127 6.240 6.160 1.642 1.00 0.00 H new ATOM 0 HB3 CYS A 127 5.348 7.414 0.804 1.00 0.00 H new ATOM 0 HG CYS A 127 7.290 6.385 -0.967 1.00 0.00 H new ATOM 1973 N ASP A 128 6.539 10.559 2.365 1.00 0.00 N ATOM 1974 CA ASP A 128 5.960 11.882 2.161 1.00 0.00 C ATOM 1975 C ASP A 128 6.707 12.638 1.067 1.00 0.00 C ATOM 1976 O ASP A 128 7.829 12.278 0.709 1.00 0.00 O ATOM 1977 CB ASP A 128 5.992 12.682 3.465 1.00 0.00 C ATOM 1978 CG ASP A 128 4.712 13.462 3.695 1.00 0.00 C ATOM 1979 OD1 ASP A 128 3.998 13.738 2.709 1.00 0.00 O ATOM 1980 OD2 ASP A 128 4.424 13.798 4.863 1.00 0.00 O ATOM 0 H ASP A 128 7.517 10.567 2.655 1.00 0.00 H new ATOM 0 HA ASP A 128 4.924 11.755 1.847 1.00 0.00 H new ATOM 0 HB2 ASP A 128 6.156 12.002 4.301 1.00 0.00 H new ATOM 0 HB3 ASP A 128 6.836 13.371 3.445 1.00 0.00 H new ATOM 1985 N TYR A 129 6.079 13.681 0.534 1.00 0.00 N ATOM 1986 CA TYR A 129 6.691 14.479 -0.522 1.00 0.00 C ATOM 1987 C TYR A 129 7.653 15.508 0.061 1.00 0.00 C ATOM 1988 O TYR A 129 7.359 16.704 0.087 1.00 0.00 O ATOM 1989 CB TYR A 129 5.618 15.178 -1.358 1.00 0.00 C ATOM 1990 CG TYR A 129 4.915 14.261 -2.335 1.00 0.00 C ATOM 1991 CD1 TYR A 129 4.469 13.003 -1.945 1.00 0.00 C ATOM 1992 CD2 TYR A 129 4.698 14.651 -3.652 1.00 0.00 C ATOM 1993 CE1 TYR A 129 3.830 12.163 -2.835 1.00 0.00 C ATOM 1994 CE2 TYR A 129 4.057 13.817 -4.548 1.00 0.00 C ATOM 1995 CZ TYR A 129 3.625 12.574 -4.135 1.00 0.00 C ATOM 1996 OH TYR A 129 2.989 11.740 -5.025 1.00 0.00 O ATOM 0 H TYR A 129 5.149 13.993 0.815 1.00 0.00 H new ATOM 0 HA TYR A 129 7.256 13.806 -1.167 1.00 0.00 H new ATOM 0 HB2 TYR A 129 4.878 15.618 -0.689 1.00 0.00 H new ATOM 0 HB3 TYR A 129 6.077 15.999 -1.909 1.00 0.00 H new ATOM 0 HD1 TYR A 129 4.625 12.677 -0.927 1.00 0.00 H new ATOM 0 HD2 TYR A 129 5.036 15.623 -3.980 1.00 0.00 H new ATOM 0 HE1 TYR A 129 3.492 11.189 -2.514 1.00 0.00 H new ATOM 0 HE2 TYR A 129 3.895 14.137 -5.567 1.00 0.00 H new ATOM 0 HH TYR A 129 2.033 11.954 -5.048 1.00 0.00 H new ATOM 2006 N THR A 130 8.808 15.036 0.519 1.00 0.00 N ATOM 2007 CA THR A 130 9.817 15.917 1.092 1.00 0.00 C ATOM 2008 C THR A 130 10.671 16.521 -0.015 1.00 0.00 C ATOM 2009 O THR A 130 11.794 16.080 -0.258 1.00 0.00 O ATOM 2010 CB THR A 130 10.699 15.152 2.080 1.00 0.00 C ATOM 2011 OG1 THR A 130 11.390 14.103 1.427 1.00 0.00 O ATOM 2012 CG2 THR A 130 9.923 14.544 3.228 1.00 0.00 C ATOM 0 H THR A 130 9.067 14.050 0.504 1.00 0.00 H new ATOM 0 HA THR A 130 9.313 16.720 1.630 1.00 0.00 H new ATOM 0 HB THR A 130 11.391 15.892 2.481 1.00 0.00 H new ATOM 0 HG1 THR A 130 12.356 14.258 1.490 1.00 0.00 H new ATOM 0 HG21 THR A 130 10.608 14.016 3.891 1.00 0.00 H new ATOM 0 HG22 THR A 130 9.417 15.333 3.783 1.00 0.00 H new ATOM 0 HG23 THR A 130 9.184 13.844 2.838 1.00 0.00 H new ATOM 2020 N ASN A 131 10.123 17.523 -0.693 1.00 0.00 N ATOM 2021 CA ASN A 131 10.822 18.181 -1.788 1.00 0.00 C ATOM 2022 C ASN A 131 10.909 17.251 -2.997 1.00 0.00 C ATOM 2023 O ASN A 131 12.001 16.938 -3.477 1.00 0.00 O ATOM 2024 CB ASN A 131 12.226 18.614 -1.353 1.00 0.00 C ATOM 2025 CG ASN A 131 12.786 19.722 -2.223 1.00 0.00 C ATOM 2026 OD1 ASN A 131 12.164 20.132 -3.203 1.00 0.00 O ATOM 2027 ND2 ASN A 131 13.968 20.211 -1.869 1.00 0.00 N ATOM 0 H ASN A 131 9.194 17.898 -0.502 1.00 0.00 H new ATOM 0 HA ASN A 131 10.258 19.071 -2.068 1.00 0.00 H new ATOM 0 HB2 ASN A 131 12.194 18.951 -0.317 1.00 0.00 H new ATOM 0 HB3 ASN A 131 12.895 17.755 -1.389 1.00 0.00 H new ATOM 0 HD21 ASN A 131 14.396 20.957 -2.417 1.00 0.00 H new ATOM 0 HD22 ASN A 131 14.448 19.841 -1.049 1.00 0.00 H new ATOM 2034 N PRO A 132 9.750 16.792 -3.509 1.00 0.00 N ATOM 2035 CA PRO A 132 9.695 15.892 -4.666 1.00 0.00 C ATOM 2036 C PRO A 132 10.579 16.368 -5.808 1.00 0.00 C ATOM 2037 O PRO A 132 11.051 15.569 -6.616 1.00 0.00 O ATOM 2038 CB PRO A 132 8.227 15.940 -5.081 1.00 0.00 C ATOM 2039 CG PRO A 132 7.489 16.255 -3.829 1.00 0.00 C ATOM 2040 CD PRO A 132 8.404 17.116 -2.999 1.00 0.00 C ATOM 0 HA PRO A 132 10.053 14.892 -4.422 1.00 0.00 H new ATOM 0 HB2 PRO A 132 8.056 16.700 -5.843 1.00 0.00 H new ATOM 0 HB3 PRO A 132 7.904 14.988 -5.502 1.00 0.00 H new ATOM 0 HG2 PRO A 132 6.558 16.777 -4.048 1.00 0.00 H new ATOM 0 HG3 PRO A 132 7.224 15.343 -3.295 1.00 0.00 H new ATOM 0 HD2 PRO A 132 8.175 18.175 -3.119 1.00 0.00 H new ATOM 0 HD3 PRO A 132 8.313 16.889 -1.937 1.00 0.00 H new ATOM 2048 N CYS A 133 10.789 17.681 -5.866 1.00 0.00 N ATOM 2049 CA CYS A 133 11.615 18.296 -6.908 1.00 0.00 C ATOM 2050 C CYS A 133 12.806 17.410 -7.271 1.00 0.00 C ATOM 2051 O CYS A 133 13.183 17.305 -8.437 1.00 0.00 O ATOM 2052 CB CYS A 133 12.107 19.672 -6.449 1.00 0.00 C ATOM 2053 SG CYS A 133 11.393 21.054 -7.371 1.00 0.00 S ATOM 0 H CYS A 133 10.396 18.346 -5.199 1.00 0.00 H new ATOM 0 HA CYS A 133 10.997 18.413 -7.798 1.00 0.00 H new ATOM 0 HB2 CYS A 133 11.874 19.795 -5.391 1.00 0.00 H new ATOM 0 HB3 CYS A 133 13.192 19.708 -6.543 1.00 0.00 H new ATOM 0 HG CYS A 133 11.866 22.174 -6.910 1.00 0.00 H new ATOM 2059 N THR A 134 13.385 16.770 -6.261 1.00 0.00 N ATOM 2060 CA THR A 134 14.524 15.883 -6.467 1.00 0.00 C ATOM 2061 C THR A 134 14.208 14.472 -5.977 1.00 0.00 C ATOM 2062 O THR A 134 14.721 13.489 -6.511 1.00 0.00 O ATOM 2063 CB THR A 134 15.759 16.424 -5.746 1.00 0.00 C ATOM 2064 OG1 THR A 134 16.891 15.614 -6.012 1.00 0.00 O ATOM 2065 CG2 THR A 134 15.592 16.499 -4.244 1.00 0.00 C ATOM 0 H THR A 134 13.084 16.849 -5.290 1.00 0.00 H new ATOM 0 HA THR A 134 14.730 15.840 -7.536 1.00 0.00 H new ATOM 0 HB THR A 134 15.897 17.435 -6.131 1.00 0.00 H new ATOM 0 HG1 THR A 134 17.671 15.978 -5.543 1.00 0.00 H new ATOM 0 HG21 THR A 134 16.505 16.891 -3.796 1.00 0.00 H new ATOM 0 HG22 THR A 134 14.758 17.158 -4.003 1.00 0.00 H new ATOM 0 HG23 THR A 134 15.393 15.502 -3.850 1.00 0.00 H new ATOM 2073 N LYS A 135 13.356 14.383 -4.964 1.00 0.00 N ATOM 2074 CA LYS A 135 12.959 13.098 -4.402 1.00 0.00 C ATOM 2075 C LYS A 135 11.967 12.376 -5.314 1.00 0.00 C ATOM 2076 O LYS A 135 11.575 11.245 -5.036 1.00 0.00 O ATOM 2077 CB LYS A 135 12.345 13.291 -3.015 1.00 0.00 C ATOM 2078 CG LYS A 135 12.668 12.165 -2.046 1.00 0.00 C ATOM 2079 CD LYS A 135 12.324 12.545 -0.616 1.00 0.00 C ATOM 2080 CE LYS A 135 13.193 11.799 0.383 1.00 0.00 C ATOM 2081 NZ LYS A 135 12.566 11.742 1.733 1.00 0.00 N ATOM 0 H LYS A 135 12.925 15.190 -4.513 1.00 0.00 H new ATOM 0 HA LYS A 135 13.854 12.482 -4.316 1.00 0.00 H new ATOM 0 HB2 LYS A 135 12.701 14.233 -2.597 1.00 0.00 H new ATOM 0 HB3 LYS A 135 11.263 13.375 -3.114 1.00 0.00 H new ATOM 0 HG2 LYS A 135 12.114 11.270 -2.329 1.00 0.00 H new ATOM 0 HG3 LYS A 135 13.728 11.919 -2.113 1.00 0.00 H new ATOM 0 HD2 LYS A 135 12.454 13.619 -0.482 1.00 0.00 H new ATOM 0 HD3 LYS A 135 11.274 12.325 -0.422 1.00 0.00 H new ATOM 0 HE2 LYS A 135 13.372 10.786 0.023 1.00 0.00 H new ATOM 0 HE3 LYS A 135 14.165 12.288 0.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 13.306 11.798 2.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 11.909 12.540 1.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 12.045 10.848 1.836 1.00 0.00 H new ATOM 2095 N SER A 136 11.555 13.041 -6.395 1.00 0.00 N ATOM 2096 CA SER A 136 10.596 12.468 -7.345 1.00 0.00 C ATOM 2097 C SER A 136 10.891 10.997 -7.647 1.00 0.00 C ATOM 2098 O SER A 136 9.986 10.232 -7.982 1.00 0.00 O ATOM 2099 CB SER A 136 10.602 13.272 -8.647 1.00 0.00 C ATOM 2100 OG SER A 136 11.745 12.968 -9.428 1.00 0.00 O ATOM 0 H SER A 136 11.871 13.980 -6.636 1.00 0.00 H new ATOM 0 HA SER A 136 9.611 12.520 -6.881 1.00 0.00 H new ATOM 0 HB2 SER A 136 9.699 13.054 -9.217 1.00 0.00 H new ATOM 0 HB3 SER A 136 10.586 14.338 -8.420 1.00 0.00 H new ATOM 0 HG SER A 136 11.725 13.493 -10.255 1.00 0.00 H new ATOM 2106 N TRP A 137 12.157 10.605 -7.529 1.00 0.00 N ATOM 2107 CA TRP A 137 12.558 9.225 -7.793 1.00 0.00 C ATOM 2108 C TRP A 137 12.062 8.268 -6.706 1.00 0.00 C ATOM 2109 O TRP A 137 12.274 7.058 -6.795 1.00 0.00 O ATOM 2110 CB TRP A 137 14.081 9.130 -7.909 1.00 0.00 C ATOM 2111 CG TRP A 137 14.664 10.105 -8.886 1.00 0.00 C ATOM 2112 CD1 TRP A 137 15.295 11.280 -8.594 1.00 0.00 C ATOM 2113 CD2 TRP A 137 14.668 9.990 -10.314 1.00 0.00 C ATOM 2114 NE1 TRP A 137 15.692 11.902 -9.754 1.00 0.00 N ATOM 2115 CE2 TRP A 137 15.319 11.130 -10.822 1.00 0.00 C ATOM 2116 CE3 TRP A 137 14.185 9.032 -11.210 1.00 0.00 C ATOM 2117 CZ2 TRP A 137 15.498 11.337 -12.188 1.00 0.00 C ATOM 2118 CZ3 TRP A 137 14.364 9.241 -12.566 1.00 0.00 C ATOM 2119 CH2 TRP A 137 15.015 10.384 -13.043 1.00 0.00 C ATOM 0 H TRP A 137 12.921 11.221 -7.253 1.00 0.00 H new ATOM 0 HA TRP A 137 12.099 8.927 -8.736 1.00 0.00 H new ATOM 0 HB2 TRP A 137 14.524 9.301 -6.928 1.00 0.00 H new ATOM 0 HB3 TRP A 137 14.353 8.118 -8.210 1.00 0.00 H new ATOM 0 HD1 TRP A 137 15.458 11.664 -7.598 1.00 0.00 H new ATOM 0 HE1 TRP A 137 16.184 12.794 -9.810 1.00 0.00 H new ATOM 0 HE3 TRP A 137 13.682 8.146 -10.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 137 16.000 12.218 -12.559 1.00 0.00 H new ATOM 0 HZ3 TRP A 137 13.995 8.509 -13.269 1.00 0.00 H new ATOM 0 HH2 TRP A 137 15.139 10.517 -14.108 1.00 0.00 H new ATOM 2130 N PHE A 138 11.403 8.808 -5.680 1.00 0.00 N ATOM 2131 CA PHE A 138 10.884 7.999 -4.587 1.00 0.00 C ATOM 2132 C PHE A 138 10.091 6.801 -5.107 1.00 0.00 C ATOM 2133 O PHE A 138 10.007 5.767 -4.445 1.00 0.00 O ATOM 2134 CB PHE A 138 10.002 8.857 -3.678 1.00 0.00 C ATOM 2135 CG PHE A 138 8.728 9.321 -4.330 1.00 0.00 C ATOM 2136 CD1 PHE A 138 7.677 8.441 -4.531 1.00 0.00 C ATOM 2137 CD2 PHE A 138 8.584 10.637 -4.742 1.00 0.00 C ATOM 2138 CE1 PHE A 138 6.505 8.864 -5.129 1.00 0.00 C ATOM 2139 CE2 PHE A 138 7.415 11.065 -5.341 1.00 0.00 C ATOM 2140 CZ PHE A 138 6.374 10.178 -5.535 1.00 0.00 C ATOM 0 H PHE A 138 11.218 9.807 -5.587 1.00 0.00 H new ATOM 0 HA PHE A 138 11.731 7.618 -4.017 1.00 0.00 H new ATOM 0 HB2 PHE A 138 9.754 8.286 -2.783 1.00 0.00 H new ATOM 0 HB3 PHE A 138 10.571 9.728 -3.353 1.00 0.00 H new ATOM 0 HD1 PHE A 138 7.775 7.412 -4.217 1.00 0.00 H new ATOM 0 HD2 PHE A 138 9.394 11.335 -4.593 1.00 0.00 H new ATOM 0 HE1 PHE A 138 5.693 8.168 -5.279 1.00 0.00 H new ATOM 0 HE2 PHE A 138 7.315 12.093 -5.657 1.00 0.00 H new ATOM 0 HZ PHE A 138 5.459 10.511 -6.003 1.00 0.00 H new ATOM 2150 N TRP A 139 9.513 6.947 -6.297 1.00 0.00 N ATOM 2151 CA TRP A 139 8.728 5.877 -6.903 1.00 0.00 C ATOM 2152 C TRP A 139 9.497 4.558 -6.884 1.00 0.00 C ATOM 2153 O TRP A 139 8.909 3.486 -6.752 1.00 0.00 O ATOM 2154 CB TRP A 139 8.354 6.243 -8.341 1.00 0.00 C ATOM 2155 CG TRP A 139 7.179 7.168 -8.429 1.00 0.00 C ATOM 2156 CD1 TRP A 139 6.071 7.163 -7.631 1.00 0.00 C ATOM 2157 CD2 TRP A 139 6.994 8.235 -9.367 1.00 0.00 C ATOM 2158 NE1 TRP A 139 5.208 8.161 -8.015 1.00 0.00 N ATOM 2159 CE2 TRP A 139 5.752 8.833 -9.079 1.00 0.00 C ATOM 2160 CE3 TRP A 139 7.757 8.742 -10.421 1.00 0.00 C ATOM 2161 CZ2 TRP A 139 5.259 9.913 -9.808 1.00 0.00 C ATOM 2162 CZ3 TRP A 139 7.266 9.814 -11.145 1.00 0.00 C ATOM 2163 CH2 TRP A 139 6.027 10.389 -10.834 1.00 0.00 C ATOM 0 H TRP A 139 9.574 7.796 -6.860 1.00 0.00 H new ATOM 0 HA TRP A 139 7.817 5.753 -6.318 1.00 0.00 H new ATOM 0 HB2 TRP A 139 9.212 6.709 -8.825 1.00 0.00 H new ATOM 0 HB3 TRP A 139 8.132 5.331 -8.895 1.00 0.00 H new ATOM 0 HD1 TRP A 139 5.898 6.475 -6.817 1.00 0.00 H new ATOM 0 HE1 TRP A 139 4.309 8.368 -7.579 1.00 0.00 H new ATOM 0 HE3 TRP A 139 8.714 8.305 -10.667 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 4.304 10.358 -9.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 7.847 10.214 -11.963 1.00 0.00 H new ATOM 0 HH2 TRP A 139 5.671 11.226 -11.417 1.00 0.00 H new ATOM 2174 N THR A 140 10.818 4.649 -7.007 1.00 0.00 N ATOM 2175 CA THR A 140 11.669 3.467 -6.996 1.00 0.00 C ATOM 2176 C THR A 140 11.825 2.933 -5.577 1.00 0.00 C ATOM 2177 O THR A 140 11.945 1.726 -5.365 1.00 0.00 O ATOM 2178 CB THR A 140 13.042 3.795 -7.586 1.00 0.00 C ATOM 2179 OG1 THR A 140 12.911 4.297 -8.905 1.00 0.00 O ATOM 2180 CG2 THR A 140 13.971 2.604 -7.638 1.00 0.00 C ATOM 0 H THR A 140 11.321 5.530 -7.115 1.00 0.00 H new ATOM 0 HA THR A 140 11.196 2.699 -7.608 1.00 0.00 H new ATOM 0 HB THR A 140 13.474 4.541 -6.919 1.00 0.00 H new ATOM 0 HG1 THR A 140 13.798 4.503 -9.266 1.00 0.00 H new ATOM 0 HG21 THR A 140 14.926 2.906 -8.067 1.00 0.00 H new ATOM 0 HG22 THR A 140 14.130 2.223 -6.629 1.00 0.00 H new ATOM 0 HG23 THR A 140 13.527 1.823 -8.255 1.00 0.00 H new ATOM 2188 N ARG A 141 11.817 3.841 -4.607 1.00 0.00 N ATOM 2189 CA ARG A 141 11.951 3.463 -3.204 1.00 0.00 C ATOM 2190 C ARG A 141 10.793 2.569 -2.777 1.00 0.00 C ATOM 2191 O ARG A 141 10.989 1.575 -2.079 1.00 0.00 O ATOM 2192 CB ARG A 141 12.006 4.711 -2.321 1.00 0.00 C ATOM 2193 CG ARG A 141 13.130 5.665 -2.688 1.00 0.00 C ATOM 2194 CD ARG A 141 13.251 6.796 -1.679 1.00 0.00 C ATOM 2195 NE ARG A 141 13.704 6.320 -0.375 1.00 0.00 N ATOM 2196 CZ ARG A 141 14.010 7.121 0.643 1.00 0.00 C ATOM 2197 NH1 ARG A 141 13.914 8.439 0.511 1.00 0.00 N ATOM 2198 NH2 ARG A 141 14.414 6.604 1.795 1.00 0.00 N ATOM 0 H ARG A 141 11.719 4.844 -4.766 1.00 0.00 H new ATOM 0 HA ARG A 141 12.881 2.907 -3.085 1.00 0.00 H new ATOM 0 HB2 ARG A 141 11.055 5.239 -2.392 1.00 0.00 H new ATOM 0 HB3 ARG A 141 12.124 4.406 -1.281 1.00 0.00 H new ATOM 0 HG2 ARG A 141 14.071 5.118 -2.738 1.00 0.00 H new ATOM 0 HG3 ARG A 141 12.949 6.079 -3.680 1.00 0.00 H new ATOM 0 HD2 ARG A 141 13.950 7.544 -2.055 1.00 0.00 H new ATOM 0 HD3 ARG A 141 12.285 7.289 -1.569 1.00 0.00 H new ATOM 0 HE ARG A 141 13.791 5.313 -0.236 1.00 0.00 H new ATOM 0 HH11 ARG A 141 13.605 8.842 -0.374 1.00 0.00 H new ATOM 0 HH12 ARG A 141 14.150 9.048 1.294 1.00 0.00 H new ATOM 0 HH21 ARG A 141 14.490 5.592 1.901 1.00 0.00 H new ATOM 0 HH22 ARG A 141 14.649 7.218 2.575 1.00 0.00 H new ATOM 2212 N LEU A 142 9.588 2.927 -3.206 1.00 0.00 N ATOM 2213 CA LEU A 142 8.397 2.154 -2.873 1.00 0.00 C ATOM 2214 C LEU A 142 8.259 0.961 -3.810 1.00 0.00 C ATOM 2215 O LEU A 142 7.873 -0.131 -3.392 1.00 0.00 O ATOM 2216 CB LEU A 142 7.149 3.035 -2.955 1.00 0.00 C ATOM 2217 CG LEU A 142 6.080 2.742 -1.903 1.00 0.00 C ATOM 2218 CD1 LEU A 142 5.047 3.857 -1.866 1.00 0.00 C ATOM 2219 CD2 LEU A 142 5.412 1.403 -2.179 1.00 0.00 C ATOM 0 H LEU A 142 9.410 3.748 -3.785 1.00 0.00 H new ATOM 0 HA LEU A 142 8.499 1.787 -1.852 1.00 0.00 H new ATOM 0 HB2 LEU A 142 7.452 4.078 -2.862 1.00 0.00 H new ATOM 0 HB3 LEU A 142 6.705 2.919 -3.944 1.00 0.00 H new ATOM 0 HG LEU A 142 6.563 2.690 -0.927 1.00 0.00 H new ATOM 0 HD11 LEU A 142 4.294 3.631 -1.111 1.00 0.00 H new ATOM 0 HD12 LEU A 142 5.537 4.799 -1.619 1.00 0.00 H new ATOM 0 HD13 LEU A 142 4.568 3.942 -2.842 1.00 0.00 H new ATOM 0 HD21 LEU A 142 4.654 1.211 -1.420 1.00 0.00 H new ATOM 0 HD22 LEU A 142 4.943 1.426 -3.163 1.00 0.00 H new ATOM 0 HD23 LEU A 142 6.160 0.611 -2.153 1.00 0.00 H new ATOM 2231 N ALA A 143 8.582 1.177 -5.080 1.00 0.00 N ATOM 2232 CA ALA A 143 8.502 0.122 -6.082 1.00 0.00 C ATOM 2233 C ALA A 143 9.529 -0.969 -5.803 1.00 0.00 C ATOM 2234 O ALA A 143 9.304 -2.141 -6.104 1.00 0.00 O ATOM 2235 CB ALA A 143 8.705 0.698 -7.474 1.00 0.00 C ATOM 0 H ALA A 143 8.902 2.076 -5.440 1.00 0.00 H new ATOM 0 HA ALA A 143 7.509 -0.324 -6.030 1.00 0.00 H new ATOM 0 HB1 ALA A 143 8.643 -0.102 -8.212 1.00 0.00 H new ATOM 0 HB2 ALA A 143 7.933 1.440 -7.677 1.00 0.00 H new ATOM 0 HB3 ALA A 143 9.686 1.170 -7.533 1.00 0.00 H new ATOM 2241 N LYS A 144 10.657 -0.573 -5.220 1.00 0.00 N ATOM 2242 CA LYS A 144 11.722 -1.512 -4.896 1.00 0.00 C ATOM 2243 C LYS A 144 11.501 -2.128 -3.517 1.00 0.00 C ATOM 2244 O LYS A 144 11.933 -3.250 -3.250 1.00 0.00 O ATOM 2245 CB LYS A 144 13.078 -0.810 -4.943 1.00 0.00 C ATOM 2246 CG LYS A 144 14.252 -1.731 -4.646 1.00 0.00 C ATOM 2247 CD LYS A 144 15.153 -1.162 -3.561 1.00 0.00 C ATOM 2248 CE LYS A 144 15.057 -1.967 -2.273 1.00 0.00 C ATOM 2249 NZ LYS A 144 16.401 -2.300 -1.725 1.00 0.00 N ATOM 0 H LYS A 144 10.856 0.394 -4.963 1.00 0.00 H new ATOM 0 HA LYS A 144 11.709 -2.311 -5.637 1.00 0.00 H new ATOM 0 HB2 LYS A 144 13.215 -0.368 -5.930 1.00 0.00 H new ATOM 0 HB3 LYS A 144 13.079 0.009 -4.224 1.00 0.00 H new ATOM 0 HG2 LYS A 144 13.879 -2.707 -4.335 1.00 0.00 H new ATOM 0 HG3 LYS A 144 14.832 -1.887 -5.556 1.00 0.00 H new ATOM 0 HD2 LYS A 144 16.185 -1.156 -3.911 1.00 0.00 H new ATOM 0 HD3 LYS A 144 14.877 -0.126 -3.365 1.00 0.00 H new ATOM 0 HE2 LYS A 144 14.493 -1.401 -1.532 1.00 0.00 H new ATOM 0 HE3 LYS A 144 14.503 -2.887 -2.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 16.292 -2.848 -0.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 16.930 -2.862 -2.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 16.920 -1.422 -1.522 1.00 0.00 H new ATOM 2263 N ALA A 145 10.822 -1.389 -2.644 1.00 0.00 N ATOM 2264 CA ALA A 145 10.541 -1.864 -1.295 1.00 0.00 C ATOM 2265 C ALA A 145 9.357 -2.827 -1.284 1.00 0.00 C ATOM 2266 O ALA A 145 9.148 -3.557 -0.316 1.00 0.00 O ATOM 2267 CB ALA A 145 10.270 -0.688 -0.367 1.00 0.00 C ATOM 0 H ALA A 145 10.457 -0.459 -2.848 1.00 0.00 H new ATOM 0 HA ALA A 145 11.419 -2.403 -0.939 1.00 0.00 H new ATOM 0 HB1 ALA A 145 10.062 -1.057 0.637 1.00 0.00 H new ATOM 0 HB2 ALA A 145 11.144 -0.037 -0.340 1.00 0.00 H new ATOM 0 HB3 ALA A 145 9.410 -0.127 -0.733 1.00 0.00 H new ATOM 2273 N LEU A 146 8.584 -2.824 -2.365 1.00 0.00 N ATOM 2274 CA LEU A 146 7.425 -3.697 -2.479 1.00 0.00 C ATOM 2275 C LEU A 146 7.836 -5.087 -2.954 1.00 0.00 C ATOM 2276 O LEU A 146 7.187 -6.081 -2.634 1.00 0.00 O ATOM 2277 CB LEU A 146 6.404 -3.094 -3.444 1.00 0.00 C ATOM 2278 CG LEU A 146 5.478 -2.039 -2.836 1.00 0.00 C ATOM 2279 CD1 LEU A 146 4.661 -1.356 -3.920 1.00 0.00 C ATOM 2280 CD2 LEU A 146 4.566 -2.668 -1.792 1.00 0.00 C ATOM 0 H LEU A 146 8.741 -2.225 -3.175 1.00 0.00 H new ATOM 0 HA LEU A 146 6.971 -3.792 -1.493 1.00 0.00 H new ATOM 0 HB2 LEU A 146 6.939 -2.646 -4.281 1.00 0.00 H new ATOM 0 HB3 LEU A 146 5.793 -3.899 -3.851 1.00 0.00 H new ATOM 0 HG LEU A 146 6.092 -1.284 -2.345 1.00 0.00 H new ATOM 0 HD11 LEU A 146 4.009 -0.609 -3.468 1.00 0.00 H new ATOM 0 HD12 LEU A 146 5.331 -0.871 -4.629 1.00 0.00 H new ATOM 0 HD13 LEU A 146 4.056 -2.098 -4.442 1.00 0.00 H new ATOM 0 HD21 LEU A 146 3.914 -1.903 -1.370 1.00 0.00 H new ATOM 0 HD22 LEU A 146 3.960 -3.444 -2.259 1.00 0.00 H new ATOM 0 HD23 LEU A 146 5.170 -3.108 -0.999 1.00 0.00 H new ATOM 2292 N SER A 147 8.923 -5.145 -3.719 1.00 0.00 N ATOM 2293 CA SER A 147 9.426 -6.410 -4.236 1.00 0.00 C ATOM 2294 C SER A 147 10.944 -6.484 -4.099 1.00 0.00 C ATOM 2295 O SER A 147 11.652 -6.791 -5.057 1.00 0.00 O ATOM 2296 CB SER A 147 9.022 -6.583 -5.702 1.00 0.00 C ATOM 2297 OG SER A 147 7.618 -6.731 -5.830 1.00 0.00 O ATOM 0 H SER A 147 9.471 -4.330 -3.993 1.00 0.00 H new ATOM 0 HA SER A 147 8.986 -7.217 -3.650 1.00 0.00 H new ATOM 0 HB2 SER A 147 9.354 -5.719 -6.278 1.00 0.00 H new ATOM 0 HB3 SER A 147 9.523 -7.456 -6.120 1.00 0.00 H new ATOM 0 HG SER A 147 7.167 -6.047 -5.293 1.00 0.00 H new