USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 732 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 51 LYS NZ :NH3+ -167:sc= 0 (180deg=0) USER MOD Set 1.2: A 100 GLN : amide:sc= -0.536 K(o=-0.54,f=-1.8) USER MOD Set 2.1: A 7 GLN : amide:sc= -0.325 K(o=0.078,f=-5.9!) USER MOD Set 2.2: A 26 TYR OH : rot -81:sc= 0.864 USER MOD Set 2.3: A 28 THR OG1 : rot -176:sc= -0.461 USER MOD Set 3.1: A 25 LYS NZ :NH3+ -175:sc= 0.354 (180deg=0.344) USER MOD Set 3.2: A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -136:sc= 1.17 (180deg=0.00364) USER MOD Single : A 20 LYS NZ :NH3+ -149:sc= -0.179 (180deg=-1.28!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0782) USER MOD Single : A 30 SER OG : rot 180:sc= -0.352 USER MOD Single : A 31 SER OG : rot -112:sc= 1.33 USER MOD Single : A 32 ASN : amide:sc= -0.233 X(o=-0.23,f=-0.27) USER MOD Single : A 38 HIS : no HD1:sc= -3.73 K(o=-3.7,f=-5.2!) USER MOD Single : A 40 SER OG : rot 36:sc= 0.255 USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS :FLIP no HD1:sc= -1.79 F(o=-7.5!,f=-1.8) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 33:sc= 1.53 USER MOD Single : A 49 HIS : no HD1:sc= -0.258 X(o=-0.26,f=-0.37) USER MOD Single : A 53 MET CE :methyl 150:sc= -10.6! (180deg=-13.2!) USER MOD Single : A 58 THR OG1 : rot -63:sc= -3! USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 58:sc= -2.44 USER MOD Single : A 97 SER OG : rot 180:sc= 0.0269 USER MOD Single : A 98 THR OG1 : rot -59:sc= 1.19 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HD1:sc= -5.14! C(o=-5.1!,f=-6.4!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 SER OG : rot -3:sc= -1.75 USER MOD Single : A 122 GLN : amide:sc= -0.605 K(o=-0.6,f=-12!) USER MOD Single : A 126 SER OG : rot 170:sc= -0.054 USER MOD ----------------------------------------------------------------- ATOM 37 N ILE A 3 -12.956 -11.876 12.318 1.00 0.00 N ATOM 38 CA ILE A 3 -12.578 -10.561 12.814 1.00 0.00 C ATOM 39 C ILE A 3 -12.357 -9.582 11.663 1.00 0.00 C ATOM 40 O ILE A 3 -11.693 -9.915 10.682 1.00 0.00 O ATOM 41 CB ILE A 3 -11.294 -10.628 13.666 1.00 0.00 C ATOM 42 CG1 ILE A 3 -11.378 -11.778 14.675 1.00 0.00 C ATOM 43 CG2 ILE A 3 -11.063 -9.303 14.379 1.00 0.00 C ATOM 44 CD1 ILE A 3 -10.410 -12.904 14.386 1.00 0.00 C ATOM 0 HA ILE A 3 -13.401 -10.210 13.436 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.448 -10.816 13.005 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -11.183 -11.389 15.675 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -12.393 -12.174 14.679 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -10.153 -9.365 14.976 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -10.959 -8.507 13.642 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -11.910 -9.087 15.030 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -10.524 -13.684 15.139 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -10.618 -13.319 13.400 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -9.389 -12.522 14.411 1.00 0.00 H new ATOM 56 N PRO A 4 -12.913 -8.359 11.758 1.00 0.00 N ATOM 57 CA PRO A 4 -12.766 -7.343 10.709 1.00 0.00 C ATOM 58 C PRO A 4 -11.344 -6.802 10.623 1.00 0.00 C ATOM 59 O PRO A 4 -10.777 -6.349 11.618 1.00 0.00 O ATOM 60 CB PRO A 4 -13.734 -6.227 11.132 1.00 0.00 C ATOM 61 CG PRO A 4 -14.566 -6.803 12.231 1.00 0.00 C ATOM 62 CD PRO A 4 -13.727 -7.867 12.876 1.00 0.00 C ATOM 0 HA PRO A 4 -12.981 -7.754 9.723 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -13.190 -5.347 11.474 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -14.357 -5.912 10.295 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -14.844 -6.035 12.953 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -15.493 -7.222 11.839 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -13.110 -7.464 13.679 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -14.339 -8.658 13.310 1.00 0.00 H new ATOM 70 N ILE A 5 -10.778 -6.842 9.422 1.00 0.00 N ATOM 71 CA ILE A 5 -9.422 -6.344 9.198 1.00 0.00 C ATOM 72 C ILE A 5 -9.447 -4.867 8.802 1.00 0.00 C ATOM 73 O ILE A 5 -8.446 -4.163 8.944 1.00 0.00 O ATOM 74 CB ILE A 5 -8.682 -7.161 8.110 1.00 0.00 C ATOM 75 CG1 ILE A 5 -8.333 -8.557 8.632 1.00 0.00 C ATOM 76 CG2 ILE A 5 -7.413 -6.444 7.662 1.00 0.00 C ATOM 77 CD1 ILE A 5 -9.522 -9.328 9.157 1.00 0.00 C ATOM 0 H ILE A 5 -11.234 -7.213 8.589 1.00 0.00 H new ATOM 0 HA ILE A 5 -8.880 -6.457 10.137 1.00 0.00 H new ATOM 0 HB ILE A 5 -9.348 -7.259 7.253 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -7.867 -9.129 7.829 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.593 -8.463 9.427 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.911 -7.037 6.898 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.672 -5.468 7.252 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.748 -6.314 8.516 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -9.195 -10.306 9.509 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -9.976 -8.779 9.982 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -10.254 -9.455 8.359 1.00 0.00 H new ATOM 89 N LYS A 6 -10.597 -4.402 8.321 1.00 0.00 N ATOM 90 CA LYS A 6 -10.768 -3.010 7.923 1.00 0.00 C ATOM 91 C LYS A 6 -12.202 -2.783 7.503 1.00 0.00 C ATOM 92 O LYS A 6 -12.634 -3.267 6.474 1.00 0.00 O ATOM 93 CB LYS A 6 -9.843 -2.643 6.750 1.00 0.00 C ATOM 94 CG LYS A 6 -8.965 -1.424 6.995 1.00 0.00 C ATOM 95 CD LYS A 6 -8.195 -1.520 8.303 1.00 0.00 C ATOM 96 CE LYS A 6 -7.828 -0.141 8.832 1.00 0.00 C ATOM 97 NZ LYS A 6 -7.822 -0.100 10.319 1.00 0.00 N ATOM 0 H LYS A 6 -11.431 -4.976 8.197 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.512 -2.381 8.776 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.203 -3.497 6.528 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.453 -2.463 5.865 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.262 -1.314 6.169 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.586 -0.528 7.007 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.796 -2.048 9.043 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.289 -2.107 8.152 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.844 0.141 8.457 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.537 0.594 8.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.567 0.856 10.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.767 -0.345 10.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.127 -0.783 10.682 1.00 0.00 H new ATOM 111 N GLN A 7 -12.934 -2.036 8.294 1.00 0.00 N ATOM 112 CA GLN A 7 -14.322 -1.745 7.974 1.00 0.00 C ATOM 113 C GLN A 7 -14.579 -0.246 8.051 1.00 0.00 C ATOM 114 O GLN A 7 -14.583 0.338 9.135 1.00 0.00 O ATOM 115 CB GLN A 7 -15.260 -2.498 8.925 1.00 0.00 C ATOM 116 CG GLN A 7 -16.717 -2.071 8.817 1.00 0.00 C ATOM 117 CD GLN A 7 -17.669 -3.090 9.411 1.00 0.00 C ATOM 118 OE1 GLN A 7 -18.669 -3.455 8.794 1.00 0.00 O ATOM 119 NE2 GLN A 7 -17.363 -3.553 10.618 1.00 0.00 N ATOM 0 H GLN A 7 -12.599 -1.617 9.162 1.00 0.00 H new ATOM 0 HA GLN A 7 -14.521 -2.080 6.956 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -15.188 -3.566 8.721 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -14.922 -2.346 9.950 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -16.850 -1.116 9.325 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -16.968 -1.912 7.768 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -16.523 -3.222 11.093 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -17.968 -4.239 11.069 1.00 0.00 H new ATOM 128 N SER A 8 -14.784 0.373 6.897 1.00 0.00 N ATOM 129 CA SER A 8 -15.034 1.808 6.838 1.00 0.00 C ATOM 130 C SER A 8 -15.601 2.210 5.483 1.00 0.00 C ATOM 131 O SER A 8 -15.882 1.361 4.638 1.00 0.00 O ATOM 132 CB SER A 8 -13.743 2.582 7.116 1.00 0.00 C ATOM 133 OG SER A 8 -13.962 3.615 8.061 1.00 0.00 O ATOM 0 H SER A 8 -14.782 -0.094 5.990 1.00 0.00 H new ATOM 0 HA SER A 8 -15.770 2.054 7.603 1.00 0.00 H new ATOM 0 HB2 SER A 8 -12.979 1.900 7.489 1.00 0.00 H new ATOM 0 HB3 SER A 8 -13.364 3.009 6.187 1.00 0.00 H new ATOM 0 HG SER A 8 -13.122 4.094 8.223 1.00 0.00 H new ATOM 139 N PHE A 9 -15.772 3.513 5.285 1.00 0.00 N ATOM 140 CA PHE A 9 -16.310 4.027 4.033 1.00 0.00 C ATOM 141 C PHE A 9 -15.206 4.200 2.995 1.00 0.00 C ATOM 142 O PHE A 9 -14.094 4.615 3.320 1.00 0.00 O ATOM 143 CB PHE A 9 -17.023 5.366 4.256 1.00 0.00 C ATOM 144 CG PHE A 9 -17.715 5.482 5.586 1.00 0.00 C ATOM 145 CD1 PHE A 9 -18.303 4.376 6.181 1.00 0.00 C ATOM 146 CD2 PHE A 9 -17.777 6.700 6.241 1.00 0.00 C ATOM 147 CE1 PHE A 9 -18.938 4.485 7.403 1.00 0.00 C ATOM 148 CE2 PHE A 9 -18.411 6.816 7.463 1.00 0.00 C ATOM 149 CZ PHE A 9 -18.992 5.707 8.046 1.00 0.00 C ATOM 0 H PHE A 9 -15.546 4.230 5.974 1.00 0.00 H new ATOM 0 HA PHE A 9 -17.031 3.299 3.660 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -16.295 6.172 4.167 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -17.757 5.510 3.463 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -18.264 3.418 5.683 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -17.324 7.571 5.791 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -19.392 3.616 7.856 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -18.452 7.773 7.962 1.00 0.00 H new ATOM 0 HZ PHE A 9 -19.487 5.795 9.002 1.00 0.00 H new ATOM 159 N LEU A 10 -15.526 3.883 1.749 1.00 0.00 N ATOM 160 CA LEU A 10 -14.571 4.004 0.655 1.00 0.00 C ATOM 161 C LEU A 10 -15.209 4.711 -0.532 1.00 0.00 C ATOM 162 O LEU A 10 -16.432 4.727 -0.669 1.00 0.00 O ATOM 163 CB LEU A 10 -14.075 2.623 0.224 1.00 0.00 C ATOM 164 CG LEU A 10 -12.861 2.098 0.990 1.00 0.00 C ATOM 165 CD1 LEU A 10 -13.257 1.702 2.405 1.00 0.00 C ATOM 166 CD2 LEU A 10 -12.238 0.916 0.257 1.00 0.00 C ATOM 0 H LEU A 10 -16.444 3.538 1.469 1.00 0.00 H new ATOM 0 HA LEU A 10 -13.724 4.593 1.006 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -14.892 1.910 0.337 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -13.827 2.659 -0.837 1.00 0.00 H new ATOM 0 HG LEU A 10 -12.119 2.894 1.050 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -12.381 1.330 2.937 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -13.657 2.571 2.927 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -14.016 0.921 2.365 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -11.375 0.555 0.816 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -12.973 0.116 0.167 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -11.920 1.231 -0.737 1.00 0.00 H new ATOM 178 N LEU A 11 -14.382 5.284 -1.394 1.00 0.00 N ATOM 179 CA LEU A 11 -14.888 5.974 -2.574 1.00 0.00 C ATOM 180 C LEU A 11 -14.981 5.006 -3.749 1.00 0.00 C ATOM 181 O LEU A 11 -14.066 4.219 -3.985 1.00 0.00 O ATOM 182 CB LEU A 11 -13.992 7.165 -2.928 1.00 0.00 C ATOM 183 CG LEU A 11 -14.699 8.523 -2.942 1.00 0.00 C ATOM 184 CD1 LEU A 11 -15.376 8.789 -1.608 1.00 0.00 C ATOM 185 CD2 LEU A 11 -13.712 9.634 -3.274 1.00 0.00 C ATOM 0 H LEU A 11 -13.366 5.286 -1.301 1.00 0.00 H new ATOM 0 HA LEU A 11 -15.886 6.353 -2.354 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -13.170 7.207 -2.214 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -13.552 6.991 -3.910 1.00 0.00 H new ATOM 0 HG LEU A 11 -15.467 8.503 -3.715 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -15.872 9.759 -1.639 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -16.113 8.010 -1.412 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.629 8.789 -0.814 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -14.231 10.592 -3.280 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.921 9.654 -2.524 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.276 9.452 -4.256 1.00 0.00 H new ATOM 197 N LYS A 12 -16.095 5.058 -4.473 1.00 0.00 N ATOM 198 CA LYS A 12 -16.303 4.171 -5.615 1.00 0.00 C ATOM 199 C LYS A 12 -16.586 4.965 -6.887 1.00 0.00 C ATOM 200 O LYS A 12 -17.650 5.568 -7.030 1.00 0.00 O ATOM 201 CB LYS A 12 -17.461 3.209 -5.330 1.00 0.00 C ATOM 202 CG LYS A 12 -17.788 2.281 -6.491 1.00 0.00 C ATOM 203 CD LYS A 12 -16.757 1.171 -6.625 1.00 0.00 C ATOM 204 CE LYS A 12 -15.787 1.446 -7.762 1.00 0.00 C ATOM 205 NZ LYS A 12 -16.462 1.420 -9.088 1.00 0.00 N ATOM 0 H LYS A 12 -16.865 5.702 -4.291 1.00 0.00 H new ATOM 0 HA LYS A 12 -15.388 3.599 -5.769 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -17.215 2.608 -4.455 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -18.349 3.789 -5.079 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -18.776 1.845 -6.343 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -17.829 2.855 -7.417 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -16.205 1.071 -5.691 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -17.263 0.222 -6.799 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -15.319 2.419 -7.612 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -14.990 0.703 -7.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -15.877 0.890 -9.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -17.390 0.959 -8.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -16.592 2.393 -9.431 1.00 0.00 H new ATOM 219 N ARG A 13 -15.627 4.955 -7.809 1.00 0.00 N ATOM 220 CA ARG A 13 -15.771 5.671 -9.070 1.00 0.00 C ATOM 221 C ARG A 13 -16.928 5.106 -9.890 1.00 0.00 C ATOM 222 O ARG A 13 -17.088 3.891 -10.001 1.00 0.00 O ATOM 223 CB ARG A 13 -14.474 5.592 -9.877 1.00 0.00 C ATOM 224 CG ARG A 13 -14.019 4.168 -10.161 1.00 0.00 C ATOM 225 CD ARG A 13 -13.022 4.119 -11.308 1.00 0.00 C ATOM 226 NE ARG A 13 -13.593 3.502 -12.504 1.00 0.00 N ATOM 227 CZ ARG A 13 -13.717 2.187 -12.672 1.00 0.00 C ATOM 228 NH1 ARG A 13 -13.312 1.349 -11.725 1.00 0.00 N ATOM 229 NH2 ARG A 13 -14.249 1.709 -13.789 1.00 0.00 N ATOM 0 H ARG A 13 -14.742 4.458 -7.705 1.00 0.00 H new ATOM 0 HA ARG A 13 -15.987 6.715 -8.842 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -14.612 6.116 -10.823 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -13.686 6.115 -9.335 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -13.565 3.745 -9.265 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -14.884 3.550 -10.403 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -12.691 5.130 -11.544 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.139 3.560 -10.998 1.00 0.00 H new ATOM 0 HE ARG A 13 -13.915 4.114 -13.253 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.904 1.712 -10.864 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.409 0.343 -11.859 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.563 2.349 -14.519 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.344 0.702 -13.918 1.00 0.00 H new ATOM 319 N LYS A 20 -13.730 10.616 -13.961 1.00 0.00 N ATOM 320 CA LYS A 20 -13.996 9.796 -12.786 1.00 0.00 C ATOM 321 C LYS A 20 -14.974 10.486 -11.842 1.00 0.00 C ATOM 322 O LYS A 20 -15.139 11.704 -11.876 1.00 0.00 O ATOM 323 CB LYS A 20 -12.689 9.480 -12.053 1.00 0.00 C ATOM 324 CG LYS A 20 -12.091 8.134 -12.433 1.00 0.00 C ATOM 325 CD LYS A 20 -10.996 7.718 -11.466 1.00 0.00 C ATOM 326 CE LYS A 20 -10.080 6.669 -12.077 1.00 0.00 C ATOM 327 NZ LYS A 20 -8.893 6.400 -11.221 1.00 0.00 N ATOM 0 HA LYS A 20 -14.450 8.864 -13.122 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -11.963 10.265 -12.266 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -12.871 9.498 -10.978 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -12.875 7.377 -12.444 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.685 8.187 -13.443 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.410 8.592 -11.181 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.445 7.324 -10.554 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.637 5.744 -12.226 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.750 7.004 -13.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.085 6.137 -11.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.657 7.254 -10.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.107 5.621 -10.566 1.00 0.00 H new ATOM 341 N GLU A 21 -15.617 9.689 -10.997 1.00 0.00 N ATOM 342 CA GLU A 21 -16.580 10.196 -10.030 1.00 0.00 C ATOM 343 C GLU A 21 -16.812 9.157 -8.944 1.00 0.00 C ATOM 344 O GLU A 21 -17.583 8.214 -9.122 1.00 0.00 O ATOM 345 CB GLU A 21 -17.900 10.549 -10.718 1.00 0.00 C ATOM 346 CG GLU A 21 -18.732 11.565 -9.952 1.00 0.00 C ATOM 347 CD GLU A 21 -18.433 12.993 -10.364 1.00 0.00 C ATOM 348 OE1 GLU A 21 -18.581 13.308 -11.564 1.00 0.00 O ATOM 349 OE2 GLU A 21 -18.053 13.795 -9.487 1.00 0.00 O ATOM 0 H GLU A 21 -15.486 8.678 -10.963 1.00 0.00 H new ATOM 0 HA GLU A 21 -16.179 11.103 -9.577 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -17.688 10.941 -11.713 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -18.485 9.639 -10.852 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -19.790 11.358 -10.113 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.544 11.452 -8.884 1.00 0.00 H new ATOM 356 N TRP A 22 -16.121 9.330 -7.829 1.00 0.00 N ATOM 357 CA TRP A 22 -16.219 8.403 -6.711 1.00 0.00 C ATOM 358 C TRP A 22 -17.268 8.856 -5.704 1.00 0.00 C ATOM 359 O TRP A 22 -17.290 10.016 -5.291 1.00 0.00 O ATOM 360 CB TRP A 22 -14.859 8.265 -6.024 1.00 0.00 C ATOM 361 CG TRP A 22 -13.716 8.090 -6.978 1.00 0.00 C ATOM 362 CD1 TRP A 22 -13.353 8.938 -7.987 1.00 0.00 C ATOM 363 CD2 TRP A 22 -12.781 7.004 -7.013 1.00 0.00 C ATOM 364 NE1 TRP A 22 -12.257 8.443 -8.649 1.00 0.00 N ATOM 365 CE2 TRP A 22 -11.888 7.258 -8.070 1.00 0.00 C ATOM 366 CE3 TRP A 22 -12.613 5.840 -6.255 1.00 0.00 C ATOM 367 CZ2 TRP A 22 -10.846 6.394 -8.384 1.00 0.00 C ATOM 368 CZ3 TRP A 22 -11.574 4.984 -6.573 1.00 0.00 C ATOM 369 CH2 TRP A 22 -10.709 5.267 -7.625 1.00 0.00 C ATOM 0 H TRP A 22 -15.482 10.109 -7.673 1.00 0.00 H new ATOM 0 HA TRP A 22 -16.526 7.434 -7.104 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -14.679 9.150 -5.414 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -14.889 7.412 -5.347 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -13.856 9.863 -8.228 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -11.793 8.885 -9.442 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -13.282 5.614 -5.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -10.169 6.606 -9.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -11.432 4.082 -5.996 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -9.908 4.577 -7.847 1.00 0.00 H new ATOM 380 N LYS A 23 -18.131 7.928 -5.307 1.00 0.00 N ATOM 381 CA LYS A 23 -19.180 8.220 -4.342 1.00 0.00 C ATOM 382 C LYS A 23 -18.896 7.518 -3.018 1.00 0.00 C ATOM 383 O LYS A 23 -18.188 6.512 -2.980 1.00 0.00 O ATOM 384 CB LYS A 23 -20.543 7.783 -4.885 1.00 0.00 C ATOM 385 CG LYS A 23 -21.276 8.879 -5.642 1.00 0.00 C ATOM 386 CD LYS A 23 -21.846 8.368 -6.957 1.00 0.00 C ATOM 387 CE LYS A 23 -23.009 7.416 -6.730 1.00 0.00 C ATOM 388 NZ LYS A 23 -24.322 8.076 -6.968 1.00 0.00 N ATOM 0 H LYS A 23 -18.123 6.964 -5.641 1.00 0.00 H new ATOM 0 HA LYS A 23 -19.199 9.296 -4.172 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -20.404 6.927 -5.545 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -21.165 7.448 -4.055 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -22.083 9.272 -5.023 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -20.593 9.706 -5.838 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -22.178 9.211 -7.562 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -21.064 7.860 -7.520 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -22.909 6.557 -7.393 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -22.973 7.036 -5.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -25.089 7.393 -6.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -24.429 8.881 -6.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -24.367 8.416 -7.950 1.00 0.00 H new ATOM 402 N LYS A 24 -19.445 8.055 -1.935 1.00 0.00 N ATOM 403 CA LYS A 24 -19.239 7.476 -0.613 1.00 0.00 C ATOM 404 C LYS A 24 -19.825 6.068 -0.541 1.00 0.00 C ATOM 405 O LYS A 24 -21.022 5.870 -0.747 1.00 0.00 O ATOM 406 CB LYS A 24 -19.871 8.367 0.460 1.00 0.00 C ATOM 407 CG LYS A 24 -18.864 9.223 1.208 1.00 0.00 C ATOM 408 CD LYS A 24 -18.198 8.447 2.332 1.00 0.00 C ATOM 409 CE LYS A 24 -17.408 9.365 3.251 1.00 0.00 C ATOM 410 NZ LYS A 24 -18.300 10.184 4.117 1.00 0.00 N ATOM 0 H LYS A 24 -20.034 8.888 -1.946 1.00 0.00 H new ATOM 0 HA LYS A 24 -18.166 7.411 -0.431 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -20.611 9.016 -0.008 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -20.404 7.739 1.174 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -18.105 9.583 0.514 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -19.364 10.101 1.617 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -18.956 7.918 2.909 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -17.534 7.693 1.911 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -16.743 8.769 3.876 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -16.778 10.023 2.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -17.736 10.641 4.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -18.769 10.912 3.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -19.018 9.571 4.553 1.00 0.00 H new ATOM 424 N LYS A 25 -18.969 5.094 -0.247 1.00 0.00 N ATOM 425 CA LYS A 25 -19.393 3.702 -0.146 1.00 0.00 C ATOM 426 C LYS A 25 -18.991 3.113 1.202 1.00 0.00 C ATOM 427 O LYS A 25 -18.442 3.809 2.055 1.00 0.00 O ATOM 428 CB LYS A 25 -18.787 2.876 -1.282 1.00 0.00 C ATOM 429 CG LYS A 25 -19.532 3.022 -2.600 1.00 0.00 C ATOM 430 CD LYS A 25 -19.657 1.690 -3.323 1.00 0.00 C ATOM 431 CE LYS A 25 -20.842 1.680 -4.275 1.00 0.00 C ATOM 432 NZ LYS A 25 -21.616 0.410 -4.188 1.00 0.00 N ATOM 0 H LYS A 25 -17.975 5.244 -0.074 1.00 0.00 H new ATOM 0 HA LYS A 25 -20.479 3.670 -0.228 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -17.749 3.176 -1.425 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -18.779 1.825 -0.993 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -20.525 3.430 -2.414 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -19.009 3.735 -3.237 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -18.741 1.490 -3.879 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -19.769 0.888 -2.593 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -21.497 2.521 -4.047 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -20.488 1.820 -5.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -22.363 0.409 -4.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -20.979 -0.396 -4.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -22.047 0.330 -3.245 1.00 0.00 H new ATOM 446 N TYR A 26 -19.275 1.830 1.385 1.00 0.00 N ATOM 447 CA TYR A 26 -18.950 1.141 2.627 1.00 0.00 C ATOM 448 C TYR A 26 -18.295 -0.203 2.332 1.00 0.00 C ATOM 449 O TYR A 26 -18.787 -0.969 1.505 1.00 0.00 O ATOM 450 CB TYR A 26 -20.222 0.942 3.454 1.00 0.00 C ATOM 451 CG TYR A 26 -19.974 0.466 4.867 1.00 0.00 C ATOM 452 CD1 TYR A 26 -19.871 -0.887 5.159 1.00 0.00 C ATOM 453 CD2 TYR A 26 -19.852 1.374 5.911 1.00 0.00 C ATOM 454 CE1 TYR A 26 -19.653 -1.323 6.452 1.00 0.00 C ATOM 455 CE2 TYR A 26 -19.633 0.947 7.206 1.00 0.00 C ATOM 456 CZ TYR A 26 -19.533 -0.402 7.472 1.00 0.00 C ATOM 457 OH TYR A 26 -19.316 -0.832 8.761 1.00 0.00 O ATOM 0 H TYR A 26 -19.731 1.244 0.686 1.00 0.00 H new ATOM 0 HA TYR A 26 -18.246 1.748 3.197 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -20.769 1.884 3.491 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -20.863 0.221 2.947 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -19.963 -1.611 4.363 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -19.930 2.432 5.707 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -19.577 -2.379 6.663 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -19.541 1.666 8.006 1.00 0.00 H new ATOM 0 HH TYR A 26 -20.166 -1.111 9.160 1.00 0.00 H new ATOM 467 N VAL A 27 -17.178 -0.481 2.998 1.00 0.00 N ATOM 468 CA VAL A 27 -16.459 -1.736 2.788 1.00 0.00 C ATOM 469 C VAL A 27 -16.006 -2.348 4.101 1.00 0.00 C ATOM 470 O VAL A 27 -15.646 -1.638 5.038 1.00 0.00 O ATOM 471 CB VAL A 27 -15.209 -1.551 1.902 1.00 0.00 C ATOM 472 CG1 VAL A 27 -14.898 -2.834 1.146 1.00 0.00 C ATOM 473 CG2 VAL A 27 -15.394 -0.392 0.933 1.00 0.00 C ATOM 0 H VAL A 27 -16.752 0.142 3.685 1.00 0.00 H new ATOM 0 HA VAL A 27 -17.167 -2.397 2.289 1.00 0.00 H new ATOM 0 HB VAL A 27 -14.365 -1.317 2.551 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.014 -2.686 0.526 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.712 -3.639 1.857 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -15.745 -3.098 0.513 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -14.499 -0.283 0.321 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -16.252 -0.589 0.290 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -15.564 0.527 1.493 1.00 0.00 H new ATOM 483 N THR A 28 -15.989 -3.675 4.150 1.00 0.00 N ATOM 484 CA THR A 28 -15.535 -4.377 5.337 1.00 0.00 C ATOM 485 C THR A 28 -14.676 -5.580 4.977 1.00 0.00 C ATOM 486 O THR A 28 -15.174 -6.589 4.470 1.00 0.00 O ATOM 487 CB THR A 28 -16.697 -4.847 6.210 1.00 0.00 C ATOM 488 OG1 THR A 28 -17.500 -3.753 6.617 1.00 0.00 O ATOM 489 CG2 THR A 28 -16.227 -5.575 7.458 1.00 0.00 C ATOM 0 H THR A 28 -16.283 -4.281 3.384 1.00 0.00 H new ATOM 0 HA THR A 28 -14.940 -3.658 5.901 1.00 0.00 H new ATOM 0 HB THR A 28 -17.274 -5.536 5.594 1.00 0.00 H new ATOM 0 HG1 THR A 28 -18.204 -4.071 7.220 1.00 0.00 H new ATOM 0 HG21 THR A 28 -17.091 -5.888 8.044 1.00 0.00 H new ATOM 0 HG22 THR A 28 -15.646 -6.452 7.171 1.00 0.00 H new ATOM 0 HG23 THR A 28 -15.606 -4.908 8.056 1.00 0.00 H new ATOM 497 N LEU A 29 -13.394 -5.479 5.285 1.00 0.00 N ATOM 498 CA LEU A 29 -12.465 -6.561 5.053 1.00 0.00 C ATOM 499 C LEU A 29 -12.457 -7.436 6.292 1.00 0.00 C ATOM 500 O LEU A 29 -12.080 -6.982 7.370 1.00 0.00 O ATOM 501 CB LEU A 29 -11.063 -6.027 4.773 1.00 0.00 C ATOM 502 CG LEU A 29 -10.412 -6.587 3.515 1.00 0.00 C ATOM 503 CD1 LEU A 29 -10.273 -8.094 3.621 1.00 0.00 C ATOM 504 CD2 LEU A 29 -11.218 -6.208 2.283 1.00 0.00 C ATOM 0 H LEU A 29 -12.974 -4.648 5.701 1.00 0.00 H new ATOM 0 HA LEU A 29 -12.774 -7.135 4.180 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -11.112 -4.941 4.689 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -10.425 -6.252 5.628 1.00 0.00 H new ATOM 0 HG LEU A 29 -9.416 -6.154 3.417 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -9.806 -8.481 2.715 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -9.654 -8.343 4.483 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -11.259 -8.543 3.741 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -10.738 -6.617 1.394 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -12.226 -6.613 2.369 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -11.269 -5.122 2.201 1.00 0.00 H new ATOM 516 N SER A 30 -12.909 -8.670 6.144 1.00 0.00 N ATOM 517 CA SER A 30 -12.986 -9.587 7.274 1.00 0.00 C ATOM 518 C SER A 30 -11.878 -10.627 7.229 1.00 0.00 C ATOM 519 O SER A 30 -11.228 -10.821 6.202 1.00 0.00 O ATOM 520 CB SER A 30 -14.347 -10.282 7.297 1.00 0.00 C ATOM 521 OG SER A 30 -14.394 -11.282 8.300 1.00 0.00 O ATOM 0 H SER A 30 -13.228 -9.061 5.257 1.00 0.00 H new ATOM 0 HA SER A 30 -12.861 -9.000 8.184 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.131 -9.546 7.476 1.00 0.00 H new ATOM 0 HB3 SER A 30 -14.546 -10.730 6.323 1.00 0.00 H new ATOM 0 HG SER A 30 -15.276 -11.710 8.294 1.00 0.00 H new ATOM 527 N SER A 31 -11.679 -11.300 8.357 1.00 0.00 N ATOM 528 CA SER A 31 -10.658 -12.331 8.460 1.00 0.00 C ATOM 529 C SER A 31 -11.141 -13.648 7.847 1.00 0.00 C ATOM 530 O SER A 31 -10.420 -14.647 7.858 1.00 0.00 O ATOM 531 CB SER A 31 -10.270 -12.549 9.923 1.00 0.00 C ATOM 532 OG SER A 31 -11.219 -13.368 10.585 1.00 0.00 O ATOM 0 H SER A 31 -12.213 -11.148 9.213 1.00 0.00 H new ATOM 0 HA SER A 31 -9.783 -11.994 7.904 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.285 -13.012 9.976 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.198 -11.587 10.431 1.00 0.00 H new ATOM 0 HG SER A 31 -11.698 -12.837 11.256 1.00 0.00 H new ATOM 538 N ASN A 32 -12.365 -13.645 7.313 1.00 0.00 N ATOM 539 CA ASN A 32 -12.944 -14.836 6.699 1.00 0.00 C ATOM 540 C ASN A 32 -12.610 -14.912 5.217 1.00 0.00 C ATOM 541 O ASN A 32 -13.350 -15.510 4.435 1.00 0.00 O ATOM 542 CB ASN A 32 -14.461 -14.853 6.895 1.00 0.00 C ATOM 543 CG ASN A 32 -15.057 -16.229 6.668 1.00 0.00 C ATOM 544 OD1 ASN A 32 -15.779 -16.453 5.697 1.00 0.00 O ATOM 545 ND2 ASN A 32 -14.758 -17.160 7.567 1.00 0.00 N ATOM 0 H ASN A 32 -12.974 -12.827 7.295 1.00 0.00 H new ATOM 0 HA ASN A 32 -12.511 -15.707 7.190 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -14.698 -14.519 7.905 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -14.921 -14.143 6.208 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -15.131 -18.104 7.467 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -14.155 -16.931 8.357 1.00 0.00 H new ATOM 552 N GLY A 33 -11.501 -14.296 4.830 1.00 0.00 N ATOM 553 CA GLY A 33 -11.103 -14.302 3.438 1.00 0.00 C ATOM 554 C GLY A 33 -12.218 -13.812 2.544 1.00 0.00 C ATOM 555 O GLY A 33 -12.444 -14.351 1.459 1.00 0.00 O ATOM 0 H GLY A 33 -10.871 -13.793 5.455 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.225 -13.670 3.306 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.816 -15.312 3.144 1.00 0.00 H new ATOM 559 N PHE A 34 -12.928 -12.792 3.011 1.00 0.00 N ATOM 560 CA PHE A 34 -14.036 -12.230 2.262 1.00 0.00 C ATOM 561 C PHE A 34 -14.049 -10.711 2.346 1.00 0.00 C ATOM 562 O PHE A 34 -13.847 -10.132 3.414 1.00 0.00 O ATOM 563 CB PHE A 34 -15.359 -12.789 2.782 1.00 0.00 C ATOM 564 CG PHE A 34 -16.194 -13.415 1.709 1.00 0.00 C ATOM 565 CD1 PHE A 34 -15.685 -14.445 0.940 1.00 0.00 C ATOM 566 CD2 PHE A 34 -17.484 -12.973 1.468 1.00 0.00 C ATOM 567 CE1 PHE A 34 -16.446 -15.029 -0.054 1.00 0.00 C ATOM 568 CE2 PHE A 34 -18.252 -13.550 0.474 1.00 0.00 C ATOM 569 CZ PHE A 34 -17.732 -14.580 -0.289 1.00 0.00 C ATOM 0 H PHE A 34 -12.752 -12.339 3.908 1.00 0.00 H new ATOM 0 HA PHE A 34 -13.909 -12.511 1.217 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -15.155 -13.531 3.554 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -15.926 -11.986 3.253 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -14.680 -14.797 1.119 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -17.894 -12.170 2.062 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -16.037 -15.834 -0.646 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -19.257 -13.197 0.293 1.00 0.00 H new ATOM 0 HZ PHE A 34 -18.330 -15.032 -1.067 1.00 0.00 H new ATOM 579 N LEU A 35 -14.304 -10.074 1.212 1.00 0.00 N ATOM 580 CA LEU A 35 -14.365 -8.623 1.147 1.00 0.00 C ATOM 581 C LEU A 35 -15.765 -8.181 0.741 1.00 0.00 C ATOM 582 O LEU A 35 -16.231 -8.501 -0.352 1.00 0.00 O ATOM 583 CB LEU A 35 -13.325 -8.088 0.156 1.00 0.00 C ATOM 584 CG LEU A 35 -13.616 -6.700 -0.427 1.00 0.00 C ATOM 585 CD1 LEU A 35 -14.057 -5.732 0.664 1.00 0.00 C ATOM 586 CD2 LEU A 35 -12.393 -6.164 -1.157 1.00 0.00 C ATOM 0 H LEU A 35 -14.472 -10.543 0.322 1.00 0.00 H new ATOM 0 HA LEU A 35 -14.139 -8.216 2.133 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.357 -8.057 0.655 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.236 -8.797 -0.667 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.433 -6.795 -1.142 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -14.257 -4.755 0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -14.963 -6.108 1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -13.267 -5.639 1.409 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.616 -5.178 -1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.558 -6.088 -0.461 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -12.128 -6.841 -1.969 1.00 0.00 H new ATOM 598 N LEU A 36 -16.435 -7.454 1.629 1.00 0.00 N ATOM 599 CA LEU A 36 -17.787 -6.984 1.354 1.00 0.00 C ATOM 600 C LEU A 36 -17.829 -5.465 1.251 1.00 0.00 C ATOM 601 O LEU A 36 -17.016 -4.771 1.859 1.00 0.00 O ATOM 602 CB LEU A 36 -18.751 -7.456 2.449 1.00 0.00 C ATOM 603 CG LEU A 36 -18.334 -8.733 3.180 1.00 0.00 C ATOM 604 CD1 LEU A 36 -17.359 -8.411 4.300 1.00 0.00 C ATOM 605 CD2 LEU A 36 -19.557 -9.458 3.722 1.00 0.00 C ATOM 0 H LEU A 36 -16.066 -7.179 2.539 1.00 0.00 H new ATOM 0 HA LEU A 36 -18.098 -7.404 0.398 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -18.862 -6.657 3.182 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -19.732 -7.617 2.002 1.00 0.00 H new ATOM 0 HG LEU A 36 -17.833 -9.391 2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -17.073 -9.331 4.809 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -16.471 -7.936 3.884 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -17.833 -7.735 5.012 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -19.243 -10.365 4.239 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -20.087 -8.808 4.418 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -20.219 -9.722 2.897 1.00 0.00 H new ATOM 617 N TYR A 37 -18.786 -4.952 0.485 1.00 0.00 N ATOM 618 CA TYR A 37 -18.932 -3.513 0.323 1.00 0.00 C ATOM 619 C TYR A 37 -20.359 -3.147 -0.076 1.00 0.00 C ATOM 620 O TYR A 37 -20.941 -3.742 -0.988 1.00 0.00 O ATOM 621 CB TYR A 37 -17.906 -2.977 -0.691 1.00 0.00 C ATOM 622 CG TYR A 37 -18.425 -2.788 -2.103 1.00 0.00 C ATOM 623 CD1 TYR A 37 -18.921 -3.858 -2.835 1.00 0.00 C ATOM 624 CD2 TYR A 37 -18.402 -1.535 -2.707 1.00 0.00 C ATOM 625 CE1 TYR A 37 -19.379 -3.687 -4.129 1.00 0.00 C ATOM 626 CE2 TYR A 37 -18.860 -1.356 -3.999 1.00 0.00 C ATOM 627 CZ TYR A 37 -19.347 -2.434 -4.704 1.00 0.00 C ATOM 628 OH TYR A 37 -19.803 -2.260 -5.992 1.00 0.00 O ATOM 0 H TYR A 37 -19.468 -5.509 -0.030 1.00 0.00 H new ATOM 0 HA TYR A 37 -18.733 -3.037 1.283 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -17.529 -2.020 -0.330 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -17.059 -3.662 -0.722 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -18.950 -4.840 -2.387 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -18.020 -0.688 -2.157 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -19.760 -4.530 -4.686 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -18.836 -0.376 -4.453 1.00 0.00 H new ATOM 0 HH TYR A 37 -19.712 -1.318 -6.247 1.00 0.00 H new ATOM 638 N HIS A 38 -20.919 -2.167 0.627 1.00 0.00 N ATOM 639 CA HIS A 38 -22.278 -1.712 0.372 1.00 0.00 C ATOM 640 C HIS A 38 -22.283 -0.267 -0.125 1.00 0.00 C ATOM 641 O HIS A 38 -21.304 0.460 0.052 1.00 0.00 O ATOM 642 CB HIS A 38 -23.128 -1.820 1.641 1.00 0.00 C ATOM 643 CG HIS A 38 -22.988 -3.124 2.371 1.00 0.00 C ATOM 644 ND1 HIS A 38 -21.769 -3.674 2.714 1.00 0.00 N ATOM 645 CD2 HIS A 38 -23.927 -3.986 2.833 1.00 0.00 C ATOM 646 CE1 HIS A 38 -21.965 -4.815 3.349 1.00 0.00 C ATOM 647 NE2 HIS A 38 -23.264 -5.027 3.434 1.00 0.00 N ATOM 0 H HIS A 38 -20.447 -1.671 1.383 1.00 0.00 H new ATOM 0 HA HIS A 38 -22.705 -2.352 -0.400 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -22.856 -1.008 2.316 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -24.175 -1.677 1.376 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -24.998 -3.874 2.745 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -21.193 -5.465 3.734 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -23.705 -5.834 3.875 1.00 0.00 H new ATOM 656 N PRO A 39 -23.387 0.166 -0.754 1.00 0.00 N ATOM 657 CA PRO A 39 -23.515 1.531 -1.277 1.00 0.00 C ATOM 658 C PRO A 39 -23.283 2.594 -0.205 1.00 0.00 C ATOM 659 O PRO A 39 -22.687 3.637 -0.475 1.00 0.00 O ATOM 660 CB PRO A 39 -24.959 1.593 -1.785 1.00 0.00 C ATOM 661 CG PRO A 39 -25.345 0.173 -2.026 1.00 0.00 C ATOM 662 CD PRO A 39 -24.593 -0.640 -1.011 1.00 0.00 C ATOM 0 HA PRO A 39 -22.770 1.736 -2.046 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -25.616 2.061 -1.052 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -25.031 2.182 -2.699 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -26.421 0.037 -1.915 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -25.088 -0.134 -3.040 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -25.177 -0.790 -0.103 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -24.341 -1.629 -1.395 1.00 0.00 H new ATOM 670 N SER A 40 -23.759 2.331 1.008 1.00 0.00 N ATOM 671 CA SER A 40 -23.600 3.276 2.111 1.00 0.00 C ATOM 672 C SER A 40 -23.655 2.564 3.460 1.00 0.00 C ATOM 673 O SER A 40 -23.738 1.336 3.524 1.00 0.00 O ATOM 674 CB SER A 40 -24.684 4.352 2.046 1.00 0.00 C ATOM 675 OG SER A 40 -24.235 5.487 1.325 1.00 0.00 O ATOM 0 H SER A 40 -24.256 1.475 1.253 1.00 0.00 H new ATOM 0 HA SER A 40 -22.621 3.745 2.012 1.00 0.00 H new ATOM 0 HB2 SER A 40 -25.576 3.945 1.570 1.00 0.00 H new ATOM 0 HB3 SER A 40 -24.968 4.648 3.056 1.00 0.00 H new ATOM 0 HG SER A 40 -23.660 5.198 0.586 1.00 0.00 H new ATOM 681 N ILE A 41 -23.612 3.343 4.539 1.00 0.00 N ATOM 682 CA ILE A 41 -23.657 2.788 5.887 1.00 0.00 C ATOM 683 C ILE A 41 -25.023 2.169 6.175 1.00 0.00 C ATOM 684 O ILE A 41 -25.112 1.073 6.728 1.00 0.00 O ATOM 685 CB ILE A 41 -23.331 3.860 6.950 1.00 0.00 C ATOM 686 CG1 ILE A 41 -21.864 4.274 6.839 1.00 0.00 C ATOM 687 CG2 ILE A 41 -23.632 3.347 8.353 1.00 0.00 C ATOM 688 CD1 ILE A 41 -21.581 5.208 5.682 1.00 0.00 C ATOM 0 H ILE A 41 -23.546 4.360 4.504 1.00 0.00 H new ATOM 0 HA ILE A 41 -22.897 2.009 5.942 1.00 0.00 H new ATOM 0 HB ILE A 41 -23.962 4.730 6.767 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -21.561 4.758 7.767 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -21.250 3.380 6.731 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -23.394 4.121 9.082 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -24.689 3.091 8.428 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -23.029 2.461 8.554 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -20.520 5.458 5.667 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -21.852 4.720 4.746 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -22.167 6.120 5.799 1.00 0.00 H new ATOM 700 N ASN A 42 -26.086 2.868 5.784 1.00 0.00 N ATOM 701 CA ASN A 42 -27.443 2.366 5.991 1.00 0.00 C ATOM 702 C ASN A 42 -27.568 0.946 5.440 1.00 0.00 C ATOM 703 O ASN A 42 -28.391 0.154 5.894 1.00 0.00 O ATOM 704 CB ASN A 42 -28.460 3.282 5.307 1.00 0.00 C ATOM 705 CG ASN A 42 -28.695 4.564 6.081 1.00 0.00 C ATOM 706 OD1 ASN A 42 -27.817 5.040 6.799 1.00 0.00 O ATOM 707 ND2 ASN A 42 -29.888 5.133 5.938 1.00 0.00 N ATOM 0 H ASN A 42 -26.036 3.778 5.325 1.00 0.00 H new ATOM 0 HA ASN A 42 -27.648 2.351 7.061 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -28.109 3.525 4.304 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -29.405 2.751 5.194 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -30.103 5.998 6.434 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -30.588 4.705 5.332 1.00 0.00 H new ATOM 714 N ASP A 43 -26.736 0.629 4.456 1.00 0.00 N ATOM 715 CA ASP A 43 -26.746 -0.693 3.851 1.00 0.00 C ATOM 716 C ASP A 43 -26.056 -1.708 4.758 1.00 0.00 C ATOM 717 O ASP A 43 -26.518 -2.837 4.902 1.00 0.00 O ATOM 718 CB ASP A 43 -26.062 -0.646 2.488 1.00 0.00 C ATOM 719 CG ASP A 43 -26.866 0.136 1.469 1.00 0.00 C ATOM 720 OD1 ASP A 43 -28.092 -0.089 1.379 1.00 0.00 O ATOM 721 OD2 ASP A 43 -26.271 0.976 0.762 1.00 0.00 O ATOM 0 H ASP A 43 -26.047 1.270 4.062 1.00 0.00 H new ATOM 0 HA ASP A 43 -27.781 -1.007 3.717 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -25.076 -0.194 2.594 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -25.909 -1.662 2.125 1.00 0.00 H new ATOM 726 N TYR A 44 -24.952 -1.296 5.374 1.00 0.00 N ATOM 727 CA TYR A 44 -24.205 -2.169 6.275 1.00 0.00 C ATOM 728 C TYR A 44 -24.991 -2.387 7.565 1.00 0.00 C ATOM 729 O TYR A 44 -25.204 -3.519 7.999 1.00 0.00 O ATOM 730 CB TYR A 44 -22.826 -1.559 6.576 1.00 0.00 C ATOM 731 CG TYR A 44 -22.405 -1.644 8.030 1.00 0.00 C ATOM 732 CD1 TYR A 44 -21.911 -2.829 8.562 1.00 0.00 C ATOM 733 CD2 TYR A 44 -22.506 -0.540 8.869 1.00 0.00 C ATOM 734 CE1 TYR A 44 -21.528 -2.910 9.887 1.00 0.00 C ATOM 735 CE2 TYR A 44 -22.125 -0.615 10.194 1.00 0.00 C ATOM 736 CZ TYR A 44 -21.637 -1.800 10.699 1.00 0.00 C ATOM 737 OH TYR A 44 -21.256 -1.878 12.019 1.00 0.00 O ATOM 0 H TYR A 44 -24.554 -0.363 5.266 1.00 0.00 H new ATOM 0 HA TYR A 44 -24.058 -3.136 5.794 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -22.078 -2.064 5.964 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -22.832 -0.512 6.273 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -21.825 -3.700 7.930 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -22.889 0.391 8.478 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -21.145 -3.838 10.285 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -22.209 0.252 10.832 1.00 0.00 H new ATOM 0 HH TYR A 44 -21.395 -1.010 12.451 1.00 0.00 H new ATOM 747 N ILE A 45 -25.422 -1.284 8.163 1.00 0.00 N ATOM 748 CA ILE A 45 -26.191 -1.317 9.400 1.00 0.00 C ATOM 749 C ILE A 45 -27.467 -2.135 9.231 1.00 0.00 C ATOM 750 O ILE A 45 -27.679 -3.141 9.908 1.00 0.00 O ATOM 751 CB ILE A 45 -26.564 0.126 9.834 1.00 0.00 C ATOM 752 CG1 ILE A 45 -25.390 0.779 10.560 1.00 0.00 C ATOM 753 CG2 ILE A 45 -27.819 0.155 10.707 1.00 0.00 C ATOM 754 CD1 ILE A 45 -25.516 2.282 10.674 1.00 0.00 C ATOM 0 H ILE A 45 -25.249 -0.344 7.806 1.00 0.00 H new ATOM 0 HA ILE A 45 -25.573 -1.785 10.166 1.00 0.00 H new ATOM 0 HB ILE A 45 -26.786 0.695 8.931 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -25.307 0.352 11.559 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -24.467 0.538 10.033 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -28.043 1.184 10.988 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -28.659 -0.261 10.151 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -27.651 -0.438 11.606 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -24.649 2.681 11.200 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -25.568 2.719 9.677 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -26.422 2.530 11.227 1.00 0.00 H new ATOM 766 N HIS A 46 -28.312 -1.662 8.336 1.00 0.00 N ATOM 767 CA HIS A 46 -29.595 -2.289 8.054 1.00 0.00 C ATOM 768 C HIS A 46 -29.437 -3.585 7.261 1.00 0.00 C ATOM 769 O HIS A 46 -30.302 -4.460 7.315 1.00 0.00 O ATOM 770 CB HIS A 46 -30.482 -1.284 7.323 1.00 0.00 C ATOM 771 CG HIS A 46 -30.489 0.057 7.998 1.00 0.00 C ATOM 772 ND1 HIS A 46 -29.511 0.988 8.128 1.00 0.00 N flip ATOM 773 CD2 HIS A 46 -31.571 0.554 8.690 1.00 0.00 C flip ATOM 774 CE1 HIS A 46 -30.013 2.010 8.884 1.00 0.00 C flip ATOM 775 NE2 HIS A 46 -31.253 1.728 9.212 1.00 0.00 N flip ATOM 0 H HIS A 46 -28.130 -0.827 7.779 1.00 0.00 H new ATOM 0 HA HIS A 46 -30.068 -2.571 8.995 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -30.132 -1.171 6.297 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -31.500 -1.669 7.272 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -32.528 0.063 8.791 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -29.477 2.904 9.166 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -31.868 2.315 9.775 1.00 0.00 H new ATOM 784 N SER A 47 -28.333 -3.707 6.530 1.00 0.00 N ATOM 785 CA SER A 47 -28.061 -4.902 5.730 1.00 0.00 C ATOM 786 C SER A 47 -28.886 -4.903 4.446 1.00 0.00 C ATOM 787 O SER A 47 -29.834 -5.675 4.302 1.00 0.00 O ATOM 788 CB SER A 47 -28.347 -6.173 6.537 1.00 0.00 C ATOM 789 OG SER A 47 -27.581 -7.264 6.058 1.00 0.00 O ATOM 0 H SER A 47 -27.608 -2.991 6.474 1.00 0.00 H new ATOM 0 HA SER A 47 -27.005 -4.886 5.462 1.00 0.00 H new ATOM 0 HB2 SER A 47 -28.119 -5.999 7.589 1.00 0.00 H new ATOM 0 HB3 SER A 47 -29.408 -6.415 6.476 1.00 0.00 H new ATOM 0 HG SER A 47 -27.780 -8.062 6.590 1.00 0.00 H new ATOM 795 N THR A 48 -28.506 -4.037 3.514 1.00 0.00 N ATOM 796 CA THR A 48 -29.193 -3.936 2.233 1.00 0.00 C ATOM 797 C THR A 48 -28.206 -3.559 1.141 1.00 0.00 C ATOM 798 O THR A 48 -27.596 -2.493 1.183 1.00 0.00 O ATOM 799 CB THR A 48 -30.315 -2.902 2.304 1.00 0.00 C ATOM 800 OG1 THR A 48 -29.788 -1.598 2.472 1.00 0.00 O ATOM 801 CG2 THR A 48 -31.286 -3.155 3.433 1.00 0.00 C ATOM 0 H THR A 48 -27.723 -3.393 3.623 1.00 0.00 H new ATOM 0 HA THR A 48 -29.631 -4.906 1.998 1.00 0.00 H new ATOM 0 HB THR A 48 -30.850 -2.990 1.358 1.00 0.00 H new ATOM 0 HG1 THR A 48 -28.923 -1.533 2.015 1.00 0.00 H new ATOM 0 HG21 THR A 48 -32.058 -2.386 3.428 1.00 0.00 H new ATOM 0 HG22 THR A 48 -31.748 -4.134 3.303 1.00 0.00 H new ATOM 0 HG23 THR A 48 -30.753 -3.129 4.384 1.00 0.00 H new ATOM 809 N HIS A 49 -28.039 -4.445 0.172 1.00 0.00 N ATOM 810 CA HIS A 49 -27.102 -4.208 -0.920 1.00 0.00 C ATOM 811 C HIS A 49 -25.672 -4.223 -0.388 1.00 0.00 C ATOM 812 O HIS A 49 -25.125 -3.186 -0.014 1.00 0.00 O ATOM 813 CB HIS A 49 -27.400 -2.872 -1.608 1.00 0.00 C ATOM 814 CG HIS A 49 -28.010 -3.021 -2.967 1.00 0.00 C ATOM 815 ND1 HIS A 49 -28.794 -4.099 -3.325 1.00 0.00 N ATOM 816 CD2 HIS A 49 -27.951 -2.223 -4.058 1.00 0.00 C ATOM 817 CE1 HIS A 49 -29.188 -3.957 -4.578 1.00 0.00 C ATOM 818 NE2 HIS A 49 -28.691 -2.827 -5.045 1.00 0.00 N ATOM 0 H HIS A 49 -28.538 -5.333 0.117 1.00 0.00 H new ATOM 0 HA HIS A 49 -27.216 -5.003 -1.657 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -28.074 -2.291 -0.978 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -26.474 -2.303 -1.695 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -27.421 -1.286 -4.138 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -29.811 -4.648 -5.127 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -28.833 -2.461 -5.987 1.00 0.00 H new ATOM 827 N GLY A 50 -25.079 -5.411 -0.353 1.00 0.00 N ATOM 828 CA GLY A 50 -23.725 -5.560 0.137 1.00 0.00 C ATOM 829 C GLY A 50 -22.976 -6.631 -0.622 1.00 0.00 C ATOM 830 O GLY A 50 -23.026 -7.809 -0.268 1.00 0.00 O ATOM 0 H GLY A 50 -25.518 -6.279 -0.659 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -23.197 -4.611 0.045 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -23.746 -5.811 1.197 1.00 0.00 H new ATOM 834 N LYS A 51 -22.296 -6.216 -1.676 1.00 0.00 N ATOM 835 CA LYS A 51 -21.540 -7.140 -2.512 1.00 0.00 C ATOM 836 C LYS A 51 -20.338 -7.708 -1.766 1.00 0.00 C ATOM 837 O LYS A 51 -19.689 -7.009 -0.990 1.00 0.00 O ATOM 838 CB LYS A 51 -21.074 -6.433 -3.787 1.00 0.00 C ATOM 839 CG LYS A 51 -21.426 -7.180 -5.063 1.00 0.00 C ATOM 840 CD LYS A 51 -21.648 -6.224 -6.224 1.00 0.00 C ATOM 841 CE LYS A 51 -22.306 -6.923 -7.402 1.00 0.00 C ATOM 842 NZ LYS A 51 -21.410 -7.942 -8.014 1.00 0.00 N ATOM 0 H LYS A 51 -22.250 -5.242 -1.976 1.00 0.00 H new ATOM 0 HA LYS A 51 -22.198 -7.968 -2.775 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -21.519 -5.439 -3.824 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.993 -6.297 -3.742 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -20.625 -7.876 -5.311 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -22.326 -7.774 -4.902 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -22.273 -5.392 -5.898 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -20.693 -5.802 -6.537 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -23.228 -7.402 -7.071 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -22.583 -6.184 -8.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -21.797 -8.237 -8.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -20.463 -7.534 -8.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -21.343 -8.768 -7.385 1.00 0.00 H new ATOM 856 N GLU A 52 -20.050 -8.983 -2.013 1.00 0.00 N ATOM 857 CA GLU A 52 -18.925 -9.666 -1.378 1.00 0.00 C ATOM 858 C GLU A 52 -18.103 -10.411 -2.420 1.00 0.00 C ATOM 859 O GLU A 52 -18.569 -10.654 -3.533 1.00 0.00 O ATOM 860 CB GLU A 52 -19.423 -10.645 -0.310 1.00 0.00 C ATOM 861 CG GLU A 52 -20.613 -10.133 0.486 1.00 0.00 C ATOM 862 CD GLU A 52 -21.902 -10.852 0.138 1.00 0.00 C ATOM 863 OE1 GLU A 52 -21.833 -12.029 -0.271 1.00 0.00 O ATOM 864 OE2 GLU A 52 -22.980 -10.237 0.274 1.00 0.00 O ATOM 0 H GLU A 52 -20.585 -9.569 -2.654 1.00 0.00 H new ATOM 0 HA GLU A 52 -18.296 -8.916 -0.899 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -19.697 -11.584 -0.791 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -18.606 -10.865 0.377 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -20.411 -10.252 1.551 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -20.736 -9.066 0.302 1.00 0.00 H new ATOM 871 N MET A 53 -16.876 -10.765 -2.061 1.00 0.00 N ATOM 872 CA MET A 53 -15.994 -11.474 -2.978 1.00 0.00 C ATOM 873 C MET A 53 -15.078 -12.438 -2.239 1.00 0.00 C ATOM 874 O MET A 53 -14.743 -12.228 -1.073 1.00 0.00 O ATOM 875 CB MET A 53 -15.149 -10.477 -3.760 1.00 0.00 C ATOM 876 CG MET A 53 -14.482 -9.433 -2.881 1.00 0.00 C ATOM 877 SD MET A 53 -13.399 -8.336 -3.811 1.00 0.00 S ATOM 878 CE MET A 53 -14.386 -8.078 -5.278 1.00 0.00 C ATOM 0 H MET A 53 -16.470 -10.574 -1.145 1.00 0.00 H new ATOM 0 HA MET A 53 -16.619 -12.050 -3.660 1.00 0.00 H new ATOM 0 HB2 MET A 53 -14.382 -11.018 -4.315 1.00 0.00 H new ATOM 0 HB3 MET A 53 -15.779 -9.975 -4.494 1.00 0.00 H new ATOM 0 HG2 MET A 53 -15.248 -8.842 -2.380 1.00 0.00 H new ATOM 0 HG3 MET A 53 -13.905 -9.933 -2.103 1.00 0.00 H new ATOM 0 HE1 MET A 53 -14.175 -7.091 -5.689 1.00 0.00 H new ATOM 0 HE2 MET A 53 -14.142 -8.839 -6.019 1.00 0.00 H new ATOM 0 HE3 MET A 53 -15.443 -8.146 -5.022 1.00 0.00 H new ATOM 888 N ASP A 54 -14.657 -13.487 -2.938 1.00 0.00 N ATOM 889 CA ASP A 54 -13.758 -14.475 -2.362 1.00 0.00 C ATOM 890 C ASP A 54 -12.325 -13.963 -2.436 1.00 0.00 C ATOM 891 O ASP A 54 -11.854 -13.567 -3.502 1.00 0.00 O ATOM 892 CB ASP A 54 -13.883 -15.809 -3.101 1.00 0.00 C ATOM 893 CG ASP A 54 -13.862 -16.997 -2.157 1.00 0.00 C ATOM 894 OD1 ASP A 54 -12.890 -17.123 -1.383 1.00 0.00 O ATOM 895 OD2 ASP A 54 -14.819 -17.800 -2.194 1.00 0.00 O ATOM 0 H ASP A 54 -14.925 -13.673 -3.904 1.00 0.00 H new ATOM 0 HA ASP A 54 -14.029 -14.636 -1.319 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.811 -15.819 -3.673 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -13.066 -15.903 -3.817 1.00 0.00 H new ATOM 900 N LEU A 55 -11.639 -13.955 -1.301 1.00 0.00 N ATOM 901 CA LEU A 55 -10.267 -13.466 -1.250 1.00 0.00 C ATOM 902 C LEU A 55 -9.255 -14.579 -1.506 1.00 0.00 C ATOM 903 O LEU A 55 -8.096 -14.470 -1.115 1.00 0.00 O ATOM 904 CB LEU A 55 -9.991 -12.809 0.102 1.00 0.00 C ATOM 905 CG LEU A 55 -10.266 -11.306 0.158 1.00 0.00 C ATOM 906 CD1 LEU A 55 -10.641 -10.880 1.570 1.00 0.00 C ATOM 907 CD2 LEU A 55 -9.054 -10.529 -0.333 1.00 0.00 C ATOM 0 H LEU A 55 -12.007 -14.280 -0.407 1.00 0.00 H new ATOM 0 HA LEU A 55 -10.153 -12.727 -2.043 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.599 -13.303 0.860 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.948 -12.982 0.367 1.00 0.00 H new ATOM 0 HG LEU A 55 -11.108 -11.084 -0.498 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.833 -9.807 1.588 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.538 -11.414 1.885 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.822 -11.114 2.250 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.264 -9.460 -0.288 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.195 -10.757 0.298 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.833 -10.812 -1.362 1.00 0.00 H new ATOM 919 N LEU A 56 -9.688 -15.648 -2.170 1.00 0.00 N ATOM 920 CA LEU A 56 -8.797 -16.762 -2.471 1.00 0.00 C ATOM 921 C LEU A 56 -7.984 -16.478 -3.731 1.00 0.00 C ATOM 922 O LEU A 56 -6.756 -16.411 -3.687 1.00 0.00 O ATOM 923 CB LEU A 56 -9.597 -18.055 -2.645 1.00 0.00 C ATOM 924 CG LEU A 56 -8.767 -19.338 -2.626 1.00 0.00 C ATOM 925 CD1 LEU A 56 -9.563 -20.480 -2.012 1.00 0.00 C ATOM 926 CD2 LEU A 56 -8.312 -19.700 -4.032 1.00 0.00 C ATOM 0 H LEU A 56 -10.644 -15.765 -2.507 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.110 -16.882 -1.633 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.343 -18.112 -1.853 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -10.138 -18.005 -3.590 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.883 -19.166 -2.012 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.956 -21.385 -2.007 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.839 -20.223 -0.989 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -10.465 -20.652 -2.599 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.722 -20.616 -3.999 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.184 -19.852 -4.669 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.704 -18.891 -4.437 1.00 0.00 H new ATOM 938 N ARG A 57 -8.679 -16.309 -4.849 1.00 0.00 N ATOM 939 CA ARG A 57 -8.025 -16.027 -6.121 1.00 0.00 C ATOM 940 C ARG A 57 -8.279 -14.582 -6.544 1.00 0.00 C ATOM 941 O ARG A 57 -8.720 -14.315 -7.662 1.00 0.00 O ATOM 942 CB ARG A 57 -8.522 -16.997 -7.198 1.00 0.00 C ATOM 943 CG ARG A 57 -7.490 -18.038 -7.599 1.00 0.00 C ATOM 944 CD ARG A 57 -7.874 -18.730 -8.898 1.00 0.00 C ATOM 945 NE ARG A 57 -9.163 -19.406 -8.796 1.00 0.00 N ATOM 946 CZ ARG A 57 -9.789 -19.968 -9.828 1.00 0.00 C ATOM 947 NH1 ARG A 57 -9.247 -19.937 -11.039 1.00 0.00 N ATOM 948 NH2 ARG A 57 -10.960 -20.563 -9.649 1.00 0.00 N ATOM 0 H ARG A 57 -9.696 -16.362 -4.901 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.951 -16.164 -5.998 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.416 -17.504 -6.834 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.815 -16.428 -8.081 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.516 -17.562 -7.713 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.392 -18.779 -6.806 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.912 -17.996 -9.703 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.104 -19.455 -9.164 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.611 -19.451 -7.881 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.346 -19.481 -11.183 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.731 -20.369 -11.826 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.382 -20.590 -8.721 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.439 -20.993 -10.440 1.00 0.00 H new ATOM 962 N THR A 58 -8.001 -13.653 -5.637 1.00 0.00 N ATOM 963 CA THR A 58 -8.202 -12.235 -5.906 1.00 0.00 C ATOM 964 C THR A 58 -6.878 -11.542 -6.200 1.00 0.00 C ATOM 965 O THR A 58 -5.806 -12.056 -5.876 1.00 0.00 O ATOM 966 CB THR A 58 -8.883 -11.559 -4.715 1.00 0.00 C ATOM 967 OG1 THR A 58 -8.654 -12.293 -3.527 1.00 0.00 O ATOM 968 CG2 THR A 58 -10.379 -11.412 -4.883 1.00 0.00 C ATOM 0 H THR A 58 -7.635 -13.857 -4.707 1.00 0.00 H new ATOM 0 HA THR A 58 -8.842 -12.148 -6.784 1.00 0.00 H new ATOM 0 HB THR A 58 -8.443 -10.564 -4.657 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.059 -13.182 -3.608 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.798 -10.925 -4.002 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.588 -10.808 -5.766 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.830 -12.397 -5.002 1.00 0.00 H new ATOM 976 N THR A 59 -6.962 -10.368 -6.813 1.00 0.00 N ATOM 977 CA THR A 59 -5.777 -9.592 -7.148 1.00 0.00 C ATOM 978 C THR A 59 -5.993 -8.120 -6.821 1.00 0.00 C ATOM 979 O THR A 59 -7.118 -7.688 -6.571 1.00 0.00 O ATOM 980 CB THR A 59 -5.430 -9.753 -8.631 1.00 0.00 C ATOM 981 OG1 THR A 59 -6.155 -10.828 -9.204 1.00 0.00 O ATOM 982 CG2 THR A 59 -3.960 -10.011 -8.876 1.00 0.00 C ATOM 0 H THR A 59 -7.842 -9.932 -7.089 1.00 0.00 H new ATOM 0 HA THR A 59 -4.945 -9.966 -6.551 1.00 0.00 H new ATOM 0 HB THR A 59 -5.700 -8.804 -9.094 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.920 -10.913 -10.152 1.00 0.00 H new ATOM 0 HG21 THR A 59 -3.782 -10.115 -9.946 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.375 -9.176 -8.491 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.662 -10.928 -8.368 1.00 0.00 H new ATOM 990 N VAL A 60 -4.911 -7.353 -6.823 1.00 0.00 N ATOM 991 CA VAL A 60 -4.986 -5.928 -6.528 1.00 0.00 C ATOM 992 C VAL A 60 -4.331 -5.109 -7.633 1.00 0.00 C ATOM 993 O VAL A 60 -3.227 -5.422 -8.079 1.00 0.00 O ATOM 994 CB VAL A 60 -4.319 -5.593 -5.180 1.00 0.00 C ATOM 995 CG1 VAL A 60 -5.254 -5.921 -4.027 1.00 0.00 C ATOM 996 CG2 VAL A 60 -3.000 -6.339 -5.034 1.00 0.00 C ATOM 0 H VAL A 60 -3.971 -7.693 -7.026 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.043 -5.670 -6.467 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.109 -4.524 -5.156 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.767 -5.678 -3.083 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.169 -5.337 -4.123 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.497 -6.983 -4.047 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.545 -6.089 -4.076 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.182 -7.413 -5.080 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.327 -6.050 -5.842 1.00 0.00 H new ATOM 1407 N PHE A 90 -4.486 8.088 -3.008 1.00 0.00 N ATOM 1408 CA PHE A 90 -4.426 6.666 -2.678 1.00 0.00 C ATOM 1409 C PHE A 90 -5.646 5.927 -3.225 1.00 0.00 C ATOM 1410 O PHE A 90 -6.780 6.212 -2.840 1.00 0.00 O ATOM 1411 CB PHE A 90 -4.320 6.455 -1.159 1.00 0.00 C ATOM 1412 CG PHE A 90 -4.748 7.636 -0.328 1.00 0.00 C ATOM 1413 CD1 PHE A 90 -4.118 8.864 -0.461 1.00 0.00 C ATOM 1414 CD2 PHE A 90 -5.773 7.515 0.598 1.00 0.00 C ATOM 1415 CE1 PHE A 90 -4.501 9.946 0.307 1.00 0.00 C ATOM 1416 CE2 PHE A 90 -6.160 8.593 1.372 1.00 0.00 C ATOM 1417 CZ PHE A 90 -5.524 9.810 1.225 1.00 0.00 C ATOM 0 HA PHE A 90 -3.531 6.257 -3.147 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -4.928 5.594 -0.882 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.287 6.209 -0.911 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.316 8.976 -1.176 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -6.275 6.566 0.716 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.002 10.896 0.190 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -6.959 8.484 2.091 1.00 0.00 H new ATOM 0 HZ PHE A 90 -5.826 10.654 1.827 1.00 0.00 H new ATOM 1427 N GLU A 91 -5.401 4.979 -4.125 1.00 0.00 N ATOM 1428 CA GLU A 91 -6.476 4.196 -4.731 1.00 0.00 C ATOM 1429 C GLU A 91 -6.007 2.772 -5.021 1.00 0.00 C ATOM 1430 O GLU A 91 -4.939 2.567 -5.597 1.00 0.00 O ATOM 1431 CB GLU A 91 -6.966 4.857 -6.025 1.00 0.00 C ATOM 1432 CG GLU A 91 -6.911 6.377 -6.003 1.00 0.00 C ATOM 1433 CD GLU A 91 -5.557 6.918 -6.418 1.00 0.00 C ATOM 1434 OE1 GLU A 91 -4.661 7.008 -5.552 1.00 0.00 O ATOM 1435 OE2 GLU A 91 -5.393 7.254 -7.611 1.00 0.00 O ATOM 0 H GLU A 91 -4.467 4.733 -4.452 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.303 4.157 -4.023 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.363 4.494 -6.857 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -7.993 4.544 -6.215 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.677 6.774 -6.670 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.147 6.731 -4.999 1.00 0.00 H new ATOM 1442 N PHE A 92 -6.811 1.791 -4.617 1.00 0.00 N ATOM 1443 CA PHE A 92 -6.472 0.389 -4.838 1.00 0.00 C ATOM 1444 C PHE A 92 -7.644 -0.360 -5.469 1.00 0.00 C ATOM 1445 O PHE A 92 -8.804 -0.100 -5.150 1.00 0.00 O ATOM 1446 CB PHE A 92 -6.059 -0.278 -3.519 1.00 0.00 C ATOM 1447 CG PHE A 92 -7.174 -0.411 -2.521 1.00 0.00 C ATOM 1448 CD1 PHE A 92 -7.770 0.713 -1.969 1.00 0.00 C ATOM 1449 CD2 PHE A 92 -7.629 -1.662 -2.133 1.00 0.00 C ATOM 1450 CE1 PHE A 92 -8.797 0.590 -1.052 1.00 0.00 C ATOM 1451 CE2 PHE A 92 -8.655 -1.790 -1.217 1.00 0.00 C ATOM 1452 CZ PHE A 92 -9.242 -0.663 -0.675 1.00 0.00 C ATOM 0 H PHE A 92 -7.698 1.941 -4.137 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.629 0.348 -5.528 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.660 -1.269 -3.735 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -5.251 0.300 -3.070 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -7.428 1.696 -2.259 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.175 -2.548 -2.552 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -9.252 1.474 -0.630 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.998 -2.771 -0.924 1.00 0.00 H new ATOM 0 HZ PHE A 92 -10.045 -0.761 0.040 1.00 0.00 H new ATOM 1462 N LEU A 93 -7.331 -1.285 -6.373 1.00 0.00 N ATOM 1463 CA LEU A 93 -8.356 -2.067 -7.059 1.00 0.00 C ATOM 1464 C LEU A 93 -8.417 -3.490 -6.513 1.00 0.00 C ATOM 1465 O LEU A 93 -7.412 -4.031 -6.051 1.00 0.00 O ATOM 1466 CB LEU A 93 -8.077 -2.096 -8.563 1.00 0.00 C ATOM 1467 CG LEU A 93 -8.726 -0.969 -9.365 1.00 0.00 C ATOM 1468 CD1 LEU A 93 -7.818 -0.532 -10.504 1.00 0.00 C ATOM 1469 CD2 LEU A 93 -10.079 -1.408 -9.900 1.00 0.00 C ATOM 0 H LEU A 93 -6.375 -1.511 -6.648 1.00 0.00 H new ATOM 0 HA LEU A 93 -9.321 -1.591 -6.881 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.999 -2.056 -8.717 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.421 -3.050 -8.962 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.878 -0.118 -8.701 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -8.297 0.271 -11.064 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.871 -0.177 -10.098 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -7.634 -1.377 -11.168 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.527 -0.593 -10.469 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.950 -2.275 -10.548 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.731 -1.671 -9.067 1.00 0.00 H new ATOM 1481 N ILE A 94 -9.605 -4.089 -6.567 1.00 0.00 N ATOM 1482 CA ILE A 94 -9.807 -5.448 -6.076 1.00 0.00 C ATOM 1483 C ILE A 94 -10.415 -6.335 -7.159 1.00 0.00 C ATOM 1484 O ILE A 94 -11.563 -6.143 -7.551 1.00 0.00 O ATOM 1485 CB ILE A 94 -10.739 -5.457 -4.845 1.00 0.00 C ATOM 1486 CG1 ILE A 94 -10.399 -4.300 -3.902 1.00 0.00 C ATOM 1487 CG2 ILE A 94 -10.648 -6.786 -4.116 1.00 0.00 C ATOM 1488 CD1 ILE A 94 -9.067 -4.457 -3.199 1.00 0.00 C ATOM 0 H ILE A 94 -10.444 -3.652 -6.948 1.00 0.00 H new ATOM 0 HA ILE A 94 -8.829 -5.838 -5.794 1.00 0.00 H new ATOM 0 HB ILE A 94 -11.764 -5.326 -5.191 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -10.392 -3.370 -4.471 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -11.186 -4.210 -3.153 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -11.312 -6.773 -3.252 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -10.944 -7.591 -4.789 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -9.623 -6.949 -3.784 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -8.896 -3.599 -2.549 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -9.076 -5.369 -2.602 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -8.269 -4.516 -3.940 1.00 0.00 H new ATOM 1500 N VAL A 95 -9.650 -7.308 -7.642 1.00 0.00 N ATOM 1501 CA VAL A 95 -10.139 -8.208 -8.682 1.00 0.00 C ATOM 1502 C VAL A 95 -10.505 -9.572 -8.112 1.00 0.00 C ATOM 1503 O VAL A 95 -9.713 -10.195 -7.405 1.00 0.00 O ATOM 1504 CB VAL A 95 -9.101 -8.395 -9.808 1.00 0.00 C ATOM 1505 CG1 VAL A 95 -9.622 -9.357 -10.869 1.00 0.00 C ATOM 1506 CG2 VAL A 95 -8.741 -7.056 -10.430 1.00 0.00 C ATOM 0 H VAL A 95 -8.696 -7.494 -7.333 1.00 0.00 H new ATOM 0 HA VAL A 95 -11.032 -7.742 -9.098 1.00 0.00 H new ATOM 0 HB VAL A 95 -8.199 -8.825 -9.372 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -8.874 -9.474 -11.653 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -9.825 -10.326 -10.413 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -10.541 -8.960 -11.301 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -8.008 -7.208 -11.222 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -9.637 -6.596 -10.848 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -8.320 -6.402 -9.667 1.00 0.00 H new ATOM 1516 N SER A 96 -11.709 -10.033 -8.434 1.00 0.00 N ATOM 1517 CA SER A 96 -12.184 -11.327 -7.966 1.00 0.00 C ATOM 1518 C SER A 96 -11.896 -12.408 -9.001 1.00 0.00 C ATOM 1519 O SER A 96 -11.240 -12.152 -10.012 1.00 0.00 O ATOM 1520 CB SER A 96 -13.685 -11.267 -7.675 1.00 0.00 C ATOM 1521 OG SER A 96 -14.418 -10.949 -8.844 1.00 0.00 O ATOM 0 H SER A 96 -12.374 -9.527 -9.019 1.00 0.00 H new ATOM 0 HA SER A 96 -11.655 -11.575 -7.046 1.00 0.00 H new ATOM 0 HB2 SER A 96 -14.021 -12.226 -7.281 1.00 0.00 H new ATOM 0 HB3 SER A 96 -13.880 -10.520 -6.905 1.00 0.00 H new ATOM 0 HG SER A 96 -14.232 -11.616 -9.538 1.00 0.00 H new ATOM 1527 N SER A 97 -12.388 -13.614 -8.747 1.00 0.00 N ATOM 1528 CA SER A 97 -12.179 -14.728 -9.662 1.00 0.00 C ATOM 1529 C SER A 97 -13.153 -14.667 -10.836 1.00 0.00 C ATOM 1530 O SER A 97 -12.900 -15.248 -11.890 1.00 0.00 O ATOM 1531 CB SER A 97 -12.331 -16.060 -8.926 1.00 0.00 C ATOM 1532 OG SER A 97 -13.468 -16.050 -8.081 1.00 0.00 O ATOM 0 H SER A 97 -12.933 -13.845 -7.917 1.00 0.00 H new ATOM 0 HA SER A 97 -11.165 -14.652 -10.054 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.419 -16.871 -9.649 1.00 0.00 H new ATOM 0 HB3 SER A 97 -11.437 -16.256 -8.335 1.00 0.00 H new ATOM 0 HG SER A 97 -13.543 -16.913 -7.624 1.00 0.00 H new ATOM 1538 N THR A 98 -14.264 -13.960 -10.650 1.00 0.00 N ATOM 1539 CA THR A 98 -15.262 -13.833 -11.703 1.00 0.00 C ATOM 1540 C THR A 98 -15.098 -12.523 -12.464 1.00 0.00 C ATOM 1541 O THR A 98 -16.043 -12.022 -13.071 1.00 0.00 O ATOM 1542 CB THR A 98 -16.672 -13.925 -11.117 1.00 0.00 C ATOM 1543 OG1 THR A 98 -17.647 -13.674 -12.113 1.00 0.00 O ATOM 1544 CG2 THR A 98 -16.912 -12.952 -9.982 1.00 0.00 C ATOM 0 H THR A 98 -14.493 -13.470 -9.785 1.00 0.00 H new ATOM 0 HA THR A 98 -15.113 -14.655 -12.403 1.00 0.00 H new ATOM 0 HB THR A 98 -16.758 -14.940 -10.729 1.00 0.00 H new ATOM 0 HG1 THR A 98 -17.511 -12.778 -12.485 1.00 0.00 H new ATOM 0 HG21 THR A 98 -17.930 -13.069 -9.612 1.00 0.00 H new ATOM 0 HG22 THR A 98 -16.207 -13.153 -9.175 1.00 0.00 H new ATOM 0 HG23 THR A 98 -16.771 -11.932 -10.341 1.00 0.00 H new ATOM 1552 N GLY A 99 -13.886 -11.981 -12.436 1.00 0.00 N ATOM 1553 CA GLY A 99 -13.611 -10.739 -13.136 1.00 0.00 C ATOM 1554 C GLY A 99 -14.135 -9.506 -12.417 1.00 0.00 C ATOM 1555 O GLY A 99 -13.841 -8.381 -12.823 1.00 0.00 O ATOM 0 H GLY A 99 -13.088 -12.379 -11.941 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -12.534 -10.639 -13.273 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -14.055 -10.786 -14.130 1.00 0.00 H new ATOM 1559 N GLN A 100 -14.910 -9.703 -11.350 1.00 0.00 N ATOM 1560 CA GLN A 100 -15.458 -8.580 -10.595 1.00 0.00 C ATOM 1561 C GLN A 100 -14.334 -7.694 -10.067 1.00 0.00 C ATOM 1562 O GLN A 100 -13.488 -8.144 -9.294 1.00 0.00 O ATOM 1563 CB GLN A 100 -16.318 -9.084 -9.434 1.00 0.00 C ATOM 1564 CG GLN A 100 -17.524 -8.205 -9.145 1.00 0.00 C ATOM 1565 CD GLN A 100 -18.411 -8.015 -10.360 1.00 0.00 C ATOM 1566 OE1 GLN A 100 -18.345 -8.785 -11.318 1.00 0.00 O ATOM 1567 NE2 GLN A 100 -19.249 -6.986 -10.324 1.00 0.00 N ATOM 0 H GLN A 100 -15.170 -10.622 -10.993 1.00 0.00 H new ATOM 0 HA GLN A 100 -16.085 -7.990 -11.264 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -16.660 -10.094 -9.658 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -15.702 -9.148 -8.537 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -18.108 -8.649 -8.339 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -17.183 -7.231 -8.792 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -19.270 -6.373 -9.509 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -19.872 -6.808 -11.112 1.00 0.00 H new ATOM 1576 N THR A 101 -14.322 -6.436 -10.497 1.00 0.00 N ATOM 1577 CA THR A 101 -13.289 -5.501 -10.070 1.00 0.00 C ATOM 1578 C THR A 101 -13.869 -4.355 -9.247 1.00 0.00 C ATOM 1579 O THR A 101 -14.632 -3.534 -9.754 1.00 0.00 O ATOM 1580 CB THR A 101 -12.552 -4.940 -11.288 1.00 0.00 C ATOM 1581 OG1 THR A 101 -12.469 -5.910 -12.317 1.00 0.00 O ATOM 1582 CG2 THR A 101 -11.145 -4.479 -10.976 1.00 0.00 C ATOM 0 H THR A 101 -15.012 -6.043 -11.137 1.00 0.00 H new ATOM 0 HA THR A 101 -12.590 -6.049 -9.438 1.00 0.00 H new ATOM 0 HB THR A 101 -13.137 -4.077 -11.607 1.00 0.00 H new ATOM 0 HG1 THR A 101 -11.996 -5.531 -13.087 1.00 0.00 H new ATOM 0 HG21 THR A 101 -10.679 -4.093 -11.883 1.00 0.00 H new ATOM 0 HG22 THR A 101 -11.179 -3.693 -10.222 1.00 0.00 H new ATOM 0 HG23 THR A 101 -10.562 -5.319 -10.598 1.00 0.00 H new ATOM 1590 N TRP A 102 -13.484 -4.299 -7.976 1.00 0.00 N ATOM 1591 CA TRP A 102 -13.942 -3.251 -7.077 1.00 0.00 C ATOM 1592 C TRP A 102 -12.872 -2.184 -6.911 1.00 0.00 C ATOM 1593 O TRP A 102 -11.884 -2.398 -6.209 1.00 0.00 O ATOM 1594 CB TRP A 102 -14.257 -3.817 -5.698 1.00 0.00 C ATOM 1595 CG TRP A 102 -15.330 -4.851 -5.679 1.00 0.00 C ATOM 1596 CD1 TRP A 102 -15.987 -5.395 -6.744 1.00 0.00 C ATOM 1597 CD2 TRP A 102 -15.868 -5.470 -4.512 1.00 0.00 C ATOM 1598 NE1 TRP A 102 -16.901 -6.323 -6.304 1.00 0.00 N ATOM 1599 CE2 TRP A 102 -16.848 -6.385 -4.935 1.00 0.00 C ATOM 1600 CE3 TRP A 102 -15.608 -5.336 -3.149 1.00 0.00 C ATOM 1601 CZ2 TRP A 102 -17.570 -7.164 -4.030 1.00 0.00 C ATOM 1602 CZ3 TRP A 102 -16.327 -6.111 -2.261 1.00 0.00 C ATOM 1603 CH2 TRP A 102 -17.290 -7.008 -2.705 1.00 0.00 C ATOM 0 H TRP A 102 -12.851 -4.973 -7.545 1.00 0.00 H new ATOM 0 HA TRP A 102 -14.841 -2.819 -7.516 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -13.347 -4.249 -5.281 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -14.550 -2.997 -5.042 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -15.815 -5.135 -7.778 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -17.518 -6.876 -6.899 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -14.861 -4.641 -2.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -18.321 -7.863 -4.366 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -16.137 -6.018 -1.202 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -17.832 -7.598 -1.981 1.00 0.00 H new ATOM 1614 N HIS A 103 -13.068 -1.031 -7.532 1.00 0.00 N ATOM 1615 CA HIS A 103 -12.103 0.046 -7.404 1.00 0.00 C ATOM 1616 C HIS A 103 -12.511 0.983 -6.275 1.00 0.00 C ATOM 1617 O HIS A 103 -13.557 1.624 -6.335 1.00 0.00 O ATOM 1618 CB HIS A 103 -11.972 0.829 -8.710 1.00 0.00 C ATOM 1619 CG HIS A 103 -10.739 1.669 -8.746 1.00 0.00 C ATOM 1620 ND1 HIS A 103 -9.948 1.863 -7.635 1.00 0.00 N ATOM 1621 CD2 HIS A 103 -10.160 2.376 -9.746 1.00 0.00 C ATOM 1622 CE1 HIS A 103 -8.943 2.652 -7.942 1.00 0.00 C ATOM 1623 NE2 HIS A 103 -9.042 2.977 -9.220 1.00 0.00 N ATOM 0 H HIS A 103 -13.874 -0.820 -8.121 1.00 0.00 H new ATOM 0 HA HIS A 103 -11.133 -0.396 -7.174 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -11.959 0.133 -9.549 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -12.847 1.466 -8.838 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -10.511 2.453 -10.764 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -8.168 2.980 -7.265 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -8.394 3.576 -9.732 1.00 0.00 H new ATOM 1632 N PHE A 104 -11.684 1.057 -5.237 1.00 0.00 N ATOM 1633 CA PHE A 104 -11.986 1.916 -4.101 1.00 0.00 C ATOM 1634 C PHE A 104 -10.881 2.932 -3.848 1.00 0.00 C ATOM 1635 O PHE A 104 -9.732 2.745 -4.251 1.00 0.00 O ATOM 1636 CB PHE A 104 -12.193 1.086 -2.832 1.00 0.00 C ATOM 1637 CG PHE A 104 -13.268 0.040 -2.931 1.00 0.00 C ATOM 1638 CD1 PHE A 104 -14.441 0.287 -3.627 1.00 0.00 C ATOM 1639 CD2 PHE A 104 -13.108 -1.191 -2.313 1.00 0.00 C ATOM 1640 CE1 PHE A 104 -15.431 -0.673 -3.707 1.00 0.00 C ATOM 1641 CE2 PHE A 104 -14.095 -2.154 -2.388 1.00 0.00 C ATOM 1642 CZ PHE A 104 -15.258 -1.896 -3.085 1.00 0.00 C ATOM 0 H PHE A 104 -10.809 0.538 -5.160 1.00 0.00 H new ATOM 0 HA PHE A 104 -12.903 2.450 -4.348 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -11.253 0.597 -2.577 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -12.436 1.759 -2.010 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -14.583 1.241 -4.112 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -12.200 -1.399 -1.766 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -16.339 -0.469 -4.255 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -13.957 -3.108 -1.902 1.00 0.00 H new ATOM 0 HZ PHE A 104 -16.031 -2.648 -3.145 1.00 0.00 H new ATOM 1652 N GLU A 105 -11.247 4.002 -3.150 1.00 0.00 N ATOM 1653 CA GLU A 105 -10.311 5.056 -2.797 1.00 0.00 C ATOM 1654 C GLU A 105 -10.373 5.312 -1.297 1.00 0.00 C ATOM 1655 O GLU A 105 -11.329 5.910 -0.797 1.00 0.00 O ATOM 1656 CB GLU A 105 -10.625 6.340 -3.568 1.00 0.00 C ATOM 1657 CG GLU A 105 -9.693 7.494 -3.235 1.00 0.00 C ATOM 1658 CD GLU A 105 -10.242 8.834 -3.682 1.00 0.00 C ATOM 1659 OE1 GLU A 105 -10.250 9.096 -4.904 1.00 0.00 O ATOM 1660 OE2 GLU A 105 -10.666 9.622 -2.810 1.00 0.00 O ATOM 0 H GLU A 105 -12.198 4.160 -2.816 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.304 4.737 -3.066 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -10.568 6.135 -4.637 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -11.651 6.640 -3.355 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -9.519 7.517 -2.159 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -8.727 7.325 -3.710 1.00 0.00 H new ATOM 1667 N ALA A 106 -9.359 4.837 -0.581 1.00 0.00 N ATOM 1668 CA ALA A 106 -9.297 4.992 0.868 1.00 0.00 C ATOM 1669 C ALA A 106 -9.490 6.445 1.291 1.00 0.00 C ATOM 1670 O ALA A 106 -8.827 7.346 0.777 1.00 0.00 O ATOM 1671 CB ALA A 106 -7.970 4.460 1.392 1.00 0.00 C ATOM 0 H ALA A 106 -8.565 4.339 -0.983 1.00 0.00 H new ATOM 0 HA ALA A 106 -10.114 4.414 1.301 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -7.932 4.580 2.475 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -7.877 3.404 1.140 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.150 5.015 0.937 1.00 0.00 H new ATOM 1677 N ALA A 107 -10.394 6.662 2.242 1.00 0.00 N ATOM 1678 CA ALA A 107 -10.667 8.001 2.745 1.00 0.00 C ATOM 1679 C ALA A 107 -9.474 8.524 3.535 1.00 0.00 C ATOM 1680 O ALA A 107 -9.156 9.712 3.490 1.00 0.00 O ATOM 1681 CB ALA A 107 -11.921 7.998 3.607 1.00 0.00 C ATOM 0 H ALA A 107 -10.949 5.926 2.679 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.835 8.664 1.897 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -12.112 9.006 3.975 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -12.771 7.662 3.012 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -11.780 7.324 4.452 1.00 0.00 H new ATOM 1687 N SER A 108 -8.814 7.620 4.252 1.00 0.00 N ATOM 1688 CA SER A 108 -7.649 7.971 5.048 1.00 0.00 C ATOM 1689 C SER A 108 -6.386 7.391 4.423 1.00 0.00 C ATOM 1690 O SER A 108 -6.423 6.328 3.804 1.00 0.00 O ATOM 1691 CB SER A 108 -7.808 7.460 6.481 1.00 0.00 C ATOM 1692 OG SER A 108 -7.300 8.396 7.416 1.00 0.00 O ATOM 0 H SER A 108 -9.070 6.634 4.296 1.00 0.00 H new ATOM 0 HA SER A 108 -7.562 9.057 5.072 1.00 0.00 H new ATOM 0 HB2 SER A 108 -8.861 7.270 6.688 1.00 0.00 H new ATOM 0 HB3 SER A 108 -7.285 6.510 6.592 1.00 0.00 H new ATOM 0 HG SER A 108 -7.415 8.046 8.324 1.00 0.00 H new ATOM 1698 N PHE A 109 -5.270 8.095 4.578 1.00 0.00 N ATOM 1699 CA PHE A 109 -4.003 7.642 4.016 1.00 0.00 C ATOM 1700 C PHE A 109 -3.533 6.352 4.683 1.00 0.00 C ATOM 1701 O PHE A 109 -2.925 5.500 4.042 1.00 0.00 O ATOM 1702 CB PHE A 109 -2.937 8.730 4.151 1.00 0.00 C ATOM 1703 CG PHE A 109 -2.379 9.169 2.829 1.00 0.00 C ATOM 1704 CD1 PHE A 109 -1.925 8.237 1.912 1.00 0.00 C ATOM 1705 CD2 PHE A 109 -2.318 10.513 2.498 1.00 0.00 C ATOM 1706 CE1 PHE A 109 -1.420 8.633 0.689 1.00 0.00 C ATOM 1707 CE2 PHE A 109 -1.819 10.917 1.277 1.00 0.00 C ATOM 1708 CZ PHE A 109 -1.369 9.976 0.369 1.00 0.00 C ATOM 0 H PHE A 109 -5.217 8.978 5.086 1.00 0.00 H new ATOM 0 HA PHE A 109 -4.161 7.436 2.957 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -3.367 9.591 4.662 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -2.125 8.360 4.777 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -1.966 7.186 2.156 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -2.665 11.253 3.204 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -1.066 7.895 -0.015 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -1.780 11.968 1.030 1.00 0.00 H new ATOM 0 HZ PHE A 109 -0.979 10.290 -0.588 1.00 0.00 H new ATOM 1718 N GLU A 110 -3.819 6.213 5.973 1.00 0.00 N ATOM 1719 CA GLU A 110 -3.426 5.020 6.712 1.00 0.00 C ATOM 1720 C GLU A 110 -4.309 3.833 6.333 1.00 0.00 C ATOM 1721 O GLU A 110 -3.864 2.683 6.334 1.00 0.00 O ATOM 1722 CB GLU A 110 -3.513 5.275 8.218 1.00 0.00 C ATOM 1723 CG GLU A 110 -2.919 4.156 9.059 1.00 0.00 C ATOM 1724 CD GLU A 110 -3.876 2.996 9.246 1.00 0.00 C ATOM 1725 OE1 GLU A 110 -5.102 3.236 9.259 1.00 0.00 O ATOM 1726 OE2 GLU A 110 -3.401 1.850 9.381 1.00 0.00 O ATOM 0 H GLU A 110 -4.319 6.909 6.526 1.00 0.00 H new ATOM 0 HA GLU A 110 -2.395 4.783 6.451 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -2.997 6.207 8.451 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.558 5.411 8.495 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -2.006 3.796 8.585 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -2.637 4.551 10.035 1.00 0.00 H new ATOM 1733 N GLU A 111 -5.570 4.123 6.020 1.00 0.00 N ATOM 1734 CA GLU A 111 -6.528 3.086 5.652 1.00 0.00 C ATOM 1735 C GLU A 111 -6.215 2.486 4.283 1.00 0.00 C ATOM 1736 O GLU A 111 -6.418 1.292 4.063 1.00 0.00 O ATOM 1737 CB GLU A 111 -7.947 3.657 5.655 1.00 0.00 C ATOM 1738 CG GLU A 111 -9.005 2.653 6.086 1.00 0.00 C ATOM 1739 CD GLU A 111 -9.701 3.055 7.371 1.00 0.00 C ATOM 1740 OE1 GLU A 111 -9.790 4.271 7.644 1.00 0.00 O ATOM 1741 OE2 GLU A 111 -10.159 2.154 8.106 1.00 0.00 O ATOM 0 H GLU A 111 -5.951 5.069 6.014 1.00 0.00 H new ATOM 0 HA GLU A 111 -6.452 2.289 6.392 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -7.982 4.518 6.322 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.187 4.018 4.655 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.746 2.549 5.293 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -8.541 1.676 6.219 1.00 0.00 H new ATOM 1748 N ARG A 112 -5.728 3.312 3.361 1.00 0.00 N ATOM 1749 CA ARG A 112 -5.407 2.836 2.017 1.00 0.00 C ATOM 1750 C ARG A 112 -4.412 1.680 2.074 1.00 0.00 C ATOM 1751 O ARG A 112 -4.536 0.707 1.331 1.00 0.00 O ATOM 1752 CB ARG A 112 -4.853 3.975 1.154 1.00 0.00 C ATOM 1753 CG ARG A 112 -3.463 4.440 1.556 1.00 0.00 C ATOM 1754 CD ARG A 112 -2.400 3.929 0.597 1.00 0.00 C ATOM 1755 NE ARG A 112 -1.206 4.771 0.607 1.00 0.00 N ATOM 1756 CZ ARG A 112 0.009 4.344 0.268 1.00 0.00 C ATOM 1757 NH1 ARG A 112 0.198 3.086 -0.114 1.00 0.00 N ATOM 1758 NH2 ARG A 112 1.040 5.178 0.310 1.00 0.00 N ATOM 0 H ARG A 112 -5.548 4.304 3.516 1.00 0.00 H new ATOM 0 HA ARG A 112 -6.328 2.475 1.560 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -4.829 3.649 0.114 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -5.537 4.822 1.207 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -3.437 5.529 1.581 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -3.240 4.092 2.565 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -2.127 2.909 0.868 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -2.810 3.892 -0.412 1.00 0.00 H new ATOM 0 HE ARG A 112 -1.309 5.745 0.891 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -0.590 2.440 -0.149 1.00 0.00 H new ATOM 0 HH12 ARG A 112 1.132 2.766 -0.372 1.00 0.00 H new ATOM 0 HH21 ARG A 112 0.902 6.146 0.602 1.00 0.00 H new ATOM 0 HH22 ARG A 112 1.971 4.852 0.051 1.00 0.00 H new ATOM 1772 N ASP A 113 -3.435 1.787 2.968 1.00 0.00 N ATOM 1773 CA ASP A 113 -2.434 0.740 3.124 1.00 0.00 C ATOM 1774 C ASP A 113 -3.023 -0.458 3.851 1.00 0.00 C ATOM 1775 O ASP A 113 -2.878 -1.597 3.407 1.00 0.00 O ATOM 1776 CB ASP A 113 -1.216 1.273 3.881 1.00 0.00 C ATOM 1777 CG ASP A 113 0.088 0.712 3.346 1.00 0.00 C ATOM 1778 OD1 ASP A 113 0.455 1.052 2.202 1.00 0.00 O ATOM 1779 OD2 ASP A 113 0.742 -0.066 4.073 1.00 0.00 O ATOM 0 H ASP A 113 -3.316 2.585 3.593 1.00 0.00 H new ATOM 0 HA ASP A 113 -2.115 0.420 2.132 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -1.196 2.361 3.812 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -1.310 1.022 4.938 1.00 0.00 H new ATOM 1784 N ALA A 114 -3.697 -0.197 4.968 1.00 0.00 N ATOM 1785 CA ALA A 114 -4.316 -1.262 5.747 1.00 0.00 C ATOM 1786 C ALA A 114 -5.205 -2.121 4.860 1.00 0.00 C ATOM 1787 O ALA A 114 -5.067 -3.340 4.827 1.00 0.00 O ATOM 1788 CB ALA A 114 -5.111 -0.684 6.905 1.00 0.00 C ATOM 0 H ALA A 114 -3.827 0.739 5.352 1.00 0.00 H new ATOM 0 HA ALA A 114 -3.528 -1.893 6.157 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.566 -1.494 7.475 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.447 -0.113 7.553 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -5.892 -0.029 6.519 1.00 0.00 H new ATOM 1794 N TRP A 115 -6.108 -1.472 4.132 1.00 0.00 N ATOM 1795 CA TRP A 115 -7.008 -2.175 3.229 1.00 0.00 C ATOM 1796 C TRP A 115 -6.228 -2.990 2.209 1.00 0.00 C ATOM 1797 O TRP A 115 -6.450 -4.192 2.066 1.00 0.00 O ATOM 1798 CB TRP A 115 -7.906 -1.176 2.517 1.00 0.00 C ATOM 1799 CG TRP A 115 -9.118 -0.835 3.312 1.00 0.00 C ATOM 1800 CD1 TRP A 115 -9.302 0.263 4.095 1.00 0.00 C ATOM 1801 CD2 TRP A 115 -10.307 -1.609 3.424 1.00 0.00 C ATOM 1802 NE1 TRP A 115 -10.544 0.233 4.666 1.00 0.00 N ATOM 1803 CE2 TRP A 115 -11.182 -0.910 4.269 1.00 0.00 C ATOM 1804 CE3 TRP A 115 -10.722 -2.826 2.883 1.00 0.00 C ATOM 1805 CZ2 TRP A 115 -12.445 -1.390 4.584 1.00 0.00 C ATOM 1806 CZ3 TRP A 115 -11.977 -3.293 3.206 1.00 0.00 C ATOM 1807 CH2 TRP A 115 -12.820 -2.582 4.042 1.00 0.00 C ATOM 0 H TRP A 115 -6.235 -0.460 4.151 1.00 0.00 H new ATOM 0 HA TRP A 115 -7.620 -2.859 3.817 1.00 0.00 H new ATOM 0 HB2 TRP A 115 -7.342 -0.266 2.312 1.00 0.00 H new ATOM 0 HB3 TRP A 115 -8.210 -1.587 1.554 1.00 0.00 H new ATOM 0 HD1 TRP A 115 -8.572 1.045 4.244 1.00 0.00 H new ATOM 0 HE1 TRP A 115 -10.931 0.945 5.285 1.00 0.00 H new ATOM 0 HE3 TRP A 115 -10.075 -3.389 2.227 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 -13.107 -0.839 5.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 -12.311 -4.235 2.798 1.00 0.00 H new ATOM 0 HH2 TRP A 115 -13.797 -2.981 4.270 1.00 0.00 H new ATOM 1818 N VAL A 116 -5.302 -2.339 1.507 1.00 0.00 N ATOM 1819 CA VAL A 116 -4.492 -3.029 0.514 1.00 0.00 C ATOM 1820 C VAL A 116 -3.795 -4.228 1.147 1.00 0.00 C ATOM 1821 O VAL A 116 -3.621 -5.269 0.512 1.00 0.00 O ATOM 1822 CB VAL A 116 -3.448 -2.084 -0.120 1.00 0.00 C ATOM 1823 CG1 VAL A 116 -2.516 -2.847 -1.056 1.00 0.00 C ATOM 1824 CG2 VAL A 116 -4.142 -0.949 -0.858 1.00 0.00 C ATOM 0 H VAL A 116 -5.098 -1.345 1.608 1.00 0.00 H new ATOM 0 HA VAL A 116 -5.157 -3.374 -0.278 1.00 0.00 H new ATOM 0 HB VAL A 116 -2.842 -1.658 0.680 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.791 -2.158 -1.489 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -1.991 -3.621 -0.496 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -3.099 -3.308 -1.853 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -3.394 -0.291 -1.300 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -4.774 -1.360 -1.645 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -4.756 -0.382 -0.158 1.00 0.00 H new ATOM 1834 N GLN A 117 -3.420 -4.080 2.415 1.00 0.00 N ATOM 1835 CA GLN A 117 -2.765 -5.157 3.144 1.00 0.00 C ATOM 1836 C GLN A 117 -3.797 -6.168 3.629 1.00 0.00 C ATOM 1837 O GLN A 117 -3.501 -7.354 3.762 1.00 0.00 O ATOM 1838 CB GLN A 117 -1.979 -4.597 4.331 1.00 0.00 C ATOM 1839 CG GLN A 117 -1.196 -5.653 5.095 1.00 0.00 C ATOM 1840 CD GLN A 117 0.281 -5.324 5.200 1.00 0.00 C ATOM 1841 OE1 GLN A 117 0.799 -5.092 6.293 1.00 0.00 O ATOM 1842 NE2 GLN A 117 0.966 -5.300 4.063 1.00 0.00 N ATOM 0 H GLN A 117 -3.559 -3.226 2.956 1.00 0.00 H new ATOM 0 HA GLN A 117 -2.070 -5.659 2.471 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -1.289 -3.834 3.971 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -2.671 -4.104 5.014 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -1.613 -5.755 6.097 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -1.315 -6.617 4.600 1.00 0.00 H new ATOM 0 HE21 GLN A 117 0.496 -5.499 3.180 1.00 0.00 H new ATOM 0 HE22 GLN A 117 1.963 -5.083 4.072 1.00 0.00 H new ATOM 1851 N ALA A 118 -5.015 -5.692 3.880 1.00 0.00 N ATOM 1852 CA ALA A 118 -6.093 -6.554 4.340 1.00 0.00 C ATOM 1853 C ALA A 118 -6.502 -7.522 3.244 1.00 0.00 C ATOM 1854 O ALA A 118 -6.636 -8.724 3.475 1.00 0.00 O ATOM 1855 CB ALA A 118 -7.285 -5.718 4.779 1.00 0.00 C ATOM 0 H ALA A 118 -5.277 -4.712 3.771 1.00 0.00 H new ATOM 0 HA ALA A 118 -5.737 -7.130 5.194 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -8.084 -6.375 5.121 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -6.986 -5.057 5.593 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -7.640 -5.121 3.939 1.00 0.00 H new ATOM 1861 N ILE A 119 -6.686 -6.990 2.046 1.00 0.00 N ATOM 1862 CA ILE A 119 -7.064 -7.802 0.904 1.00 0.00 C ATOM 1863 C ILE A 119 -5.935 -8.766 0.552 1.00 0.00 C ATOM 1864 O ILE A 119 -6.159 -9.963 0.382 1.00 0.00 O ATOM 1865 CB ILE A 119 -7.419 -6.922 -0.318 1.00 0.00 C ATOM 1866 CG1 ILE A 119 -8.766 -6.228 -0.094 1.00 0.00 C ATOM 1867 CG2 ILE A 119 -7.456 -7.749 -1.599 1.00 0.00 C ATOM 1868 CD1 ILE A 119 -8.670 -4.963 0.730 1.00 0.00 C ATOM 0 H ILE A 119 -6.579 -5.997 1.841 1.00 0.00 H new ATOM 0 HA ILE A 119 -7.952 -8.374 1.173 1.00 0.00 H new ATOM 0 HB ILE A 119 -6.643 -6.165 -0.429 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -9.206 -5.988 -1.062 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -9.444 -6.923 0.401 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -7.708 -7.104 -2.441 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -6.479 -8.202 -1.768 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -8.208 -8.533 -1.504 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -9.663 -4.528 0.846 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -8.260 -5.199 1.712 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -8.018 -4.249 0.226 1.00 0.00 H new ATOM 1880 N GLU A 120 -4.716 -8.241 0.460 1.00 0.00 N ATOM 1881 CA GLU A 120 -3.558 -9.067 0.143 1.00 0.00 C ATOM 1882 C GLU A 120 -3.291 -10.070 1.262 1.00 0.00 C ATOM 1883 O GLU A 120 -2.833 -11.184 1.012 1.00 0.00 O ATOM 1884 CB GLU A 120 -2.324 -8.192 -0.085 1.00 0.00 C ATOM 1885 CG GLU A 120 -1.959 -8.027 -1.552 1.00 0.00 C ATOM 1886 CD GLU A 120 -1.293 -9.262 -2.128 1.00 0.00 C ATOM 1887 OE1 GLU A 120 -0.763 -10.073 -1.340 1.00 0.00 O ATOM 1888 OE2 GLU A 120 -1.305 -9.418 -3.367 1.00 0.00 O ATOM 0 H GLU A 120 -4.507 -7.253 0.600 1.00 0.00 H new ATOM 0 HA GLU A 120 -3.772 -9.617 -0.773 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -2.501 -7.208 0.350 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -1.477 -8.627 0.445 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -2.860 -7.804 -2.124 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -1.291 -7.173 -1.663 1.00 0.00 H new ATOM 1895 N SER A 121 -3.586 -9.671 2.499 1.00 0.00 N ATOM 1896 CA SER A 121 -3.379 -10.549 3.646 1.00 0.00 C ATOM 1897 C SER A 121 -4.366 -11.708 3.613 1.00 0.00 C ATOM 1898 O SER A 121 -4.004 -12.853 3.886 1.00 0.00 O ATOM 1899 CB SER A 121 -3.523 -9.774 4.957 1.00 0.00 C ATOM 1900 OG SER A 121 -4.778 -9.120 5.031 1.00 0.00 O ATOM 0 H SER A 121 -3.966 -8.753 2.730 1.00 0.00 H new ATOM 0 HA SER A 121 -2.366 -10.947 3.589 1.00 0.00 H new ATOM 0 HB2 SER A 121 -3.416 -10.457 5.800 1.00 0.00 H new ATOM 0 HB3 SER A 121 -2.722 -9.039 5.038 1.00 0.00 H new ATOM 0 HG SER A 121 -5.274 -9.269 4.199 1.00 0.00 H new ATOM 1906 N GLN A 122 -5.611 -11.405 3.265 1.00 0.00 N ATOM 1907 CA GLN A 122 -6.645 -12.427 3.184 1.00 0.00 C ATOM 1908 C GLN A 122 -6.333 -13.406 2.057 1.00 0.00 C ATOM 1909 O GLN A 122 -6.672 -14.587 2.133 1.00 0.00 O ATOM 1910 CB GLN A 122 -8.017 -11.787 2.959 1.00 0.00 C ATOM 1911 CG GLN A 122 -8.583 -11.109 4.196 1.00 0.00 C ATOM 1912 CD GLN A 122 -8.597 -12.020 5.407 1.00 0.00 C ATOM 1913 OE1 GLN A 122 -9.366 -12.980 5.468 1.00 0.00 O ATOM 1914 NE2 GLN A 122 -7.743 -11.726 6.381 1.00 0.00 N ATOM 0 H GLN A 122 -5.927 -10.463 3.035 1.00 0.00 H new ATOM 0 HA GLN A 122 -6.666 -12.971 4.128 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -7.939 -11.053 2.157 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -8.715 -12.554 2.623 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -7.992 -10.221 4.421 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -9.599 -10.772 3.988 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -7.123 -10.921 6.290 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -7.707 -12.305 7.220 1.00 0.00 H new ATOM 1923 N ILE A 123 -5.679 -12.903 1.014 1.00 0.00 N ATOM 1924 CA ILE A 123 -5.312 -13.729 -0.129 1.00 0.00 C ATOM 1925 C ILE A 123 -4.161 -14.666 0.223 1.00 0.00 C ATOM 1926 O ILE A 123 -4.133 -15.819 -0.208 1.00 0.00 O ATOM 1927 CB ILE A 123 -4.917 -12.865 -1.344 1.00 0.00 C ATOM 1928 CG1 ILE A 123 -6.061 -11.924 -1.725 1.00 0.00 C ATOM 1929 CG2 ILE A 123 -4.543 -13.745 -2.525 1.00 0.00 C ATOM 1930 CD1 ILE A 123 -5.592 -10.631 -2.360 1.00 0.00 C ATOM 0 H ILE A 123 -5.393 -11.927 0.938 1.00 0.00 H new ATOM 0 HA ILE A 123 -6.189 -14.321 -0.392 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.049 -12.265 -1.071 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -6.729 -12.438 -2.416 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -6.643 -11.692 -0.833 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -4.267 -13.118 -3.373 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -3.699 -14.379 -2.253 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -5.394 -14.370 -2.797 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -6.455 -10.012 -2.605 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -4.948 -10.096 -1.663 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -5.035 -10.854 -3.270 1.00 0.00 H new ATOM 1942 N LEU A 124 -3.217 -14.165 1.010 1.00 0.00 N ATOM 1943 CA LEU A 124 -2.067 -14.960 1.420 1.00 0.00 C ATOM 1944 C LEU A 124 -2.492 -16.075 2.370 1.00 0.00 C ATOM 1945 O LEU A 124 -1.943 -17.175 2.341 1.00 0.00 O ATOM 1946 CB LEU A 124 -1.016 -14.073 2.091 1.00 0.00 C ATOM 1947 CG LEU A 124 0.327 -14.753 2.362 1.00 0.00 C ATOM 1948 CD1 LEU A 124 1.453 -13.733 2.349 1.00 0.00 C ATOM 1949 CD2 LEU A 124 0.290 -15.494 3.689 1.00 0.00 C ATOM 0 H LEU A 124 -3.225 -13.213 1.377 1.00 0.00 H new ATOM 0 HA LEU A 124 -1.631 -15.411 0.528 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -0.844 -13.200 1.461 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -1.419 -13.709 3.036 1.00 0.00 H new ATOM 0 HG LEU A 124 0.513 -15.478 1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 124 2.401 -14.235 2.544 1.00 0.00 H new ATOM 0 HD12 LEU A 124 1.493 -13.248 1.374 1.00 0.00 H new ATOM 0 HD13 LEU A 124 1.274 -12.984 3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 124 1.254 -15.972 3.866 1.00 0.00 H new ATOM 0 HD22 LEU A 124 0.081 -14.789 4.494 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -0.492 -16.253 3.660 1.00 0.00 H new ATOM 1961 N ALA A 125 -3.478 -15.780 3.214 1.00 0.00 N ATOM 1962 CA ALA A 125 -3.980 -16.758 4.172 1.00 0.00 C ATOM 1963 C ALA A 125 -4.874 -17.785 3.485 1.00 0.00 C ATOM 1964 O ALA A 125 -4.944 -18.940 3.908 1.00 0.00 O ATOM 1965 CB ALA A 125 -4.740 -16.057 5.288 1.00 0.00 C ATOM 0 H ALA A 125 -3.943 -14.873 3.253 1.00 0.00 H new ATOM 0 HA ALA A 125 -3.128 -17.284 4.602 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -5.110 -16.797 5.997 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -4.074 -15.364 5.802 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -5.581 -15.507 4.866 1.00 0.00 H new ATOM 1971 N SER A 126 -5.553 -17.359 2.426 1.00 0.00 N ATOM 1972 CA SER A 126 -6.441 -18.241 1.682 1.00 0.00 C ATOM 1973 C SER A 126 -5.648 -19.154 0.751 1.00 0.00 C ATOM 1974 O SER A 126 -6.052 -20.286 0.485 1.00 0.00 O ATOM 1975 CB SER A 126 -7.449 -17.421 0.872 1.00 0.00 C ATOM 1976 OG SER A 126 -8.518 -18.232 0.417 1.00 0.00 O ATOM 0 H SER A 126 -5.505 -16.407 2.064 1.00 0.00 H new ATOM 0 HA SER A 126 -6.979 -18.861 2.399 1.00 0.00 H new ATOM 0 HB2 SER A 126 -7.840 -16.610 1.486 1.00 0.00 H new ATOM 0 HB3 SER A 126 -6.948 -16.962 0.020 1.00 0.00 H new ATOM 0 HG SER A 126 -9.224 -17.664 0.045 1.00 0.00 H new