USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 558 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 ASN : amide:sc= 1.04 K(o=1.2,f=-0.15) USER MOD Set 1.2: A 74 CYS SG : rot -158:sc= 0.176 USER MOD Set 2.1: A 32 GLN : amide:sc= -0.206 K(o=0.47,f=-5.3!) USER MOD Set 2.2: A 42 THR OG1 : rot -73:sc= 0.679 USER MOD Set 3.1: A 25 TYR OH : rot -159:sc= 0.744 USER MOD Set 3.2: A 39 ASN :FLIP amide:sc= -1.89 F(o=-3.3!,f=-1.7) USER MOD Set 3.3: A 44 THR OG1 : rot -68:sc=-0.00379 USER MOD Set 3.4: A 71 MET CE :methyl -163:sc= -0.48 (180deg=-0.97) USER MOD Set 3.5: A 72 THR OG1 : rot 163:sc= -0.0292 USER MOD Set 4.1: A 26 LYS NZ :NH3+ 145:sc= 1.94 (180deg=1.16) USER MOD Set 4.2: A 27 THR OG1 : rot -170:sc= 0.733 USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-2.5) USER MOD Single : A 14 LYS NZ :NH3+ -156:sc= 0.827 (180deg=0.437) USER MOD Single : A 20 TYR OH : rot 96:sc= -0.0534 USER MOD Single : A 34 SER OG : rot -75:sc= 1.27 USER MOD Single : A 35 GLN : amide:sc= -0.461 X(o=-0.46,f=-0.44) USER MOD Single : A 38 LYS NZ :NH3+ -139:sc= 0.403 (180deg=-0.497!) USER MOD Single : A 41 MET CE :methyl -173:sc= 0 (180deg=-0.0834) USER MOD Single : A 48 GLN : amide:sc= -0.0206 X(o=-0.021,f=0) USER MOD Single : A 49 ASN : amide:sc= 0.913 K(o=0.91,f=0) USER MOD Single : A 54 CYS SG : rot 96:sc= -4.28! USER MOD Single : A 55 LYS NZ :NH3+ -171:sc= 1.02 (180deg=0.959) USER MOD Single : A 56 THR OG1 : rot -41:sc= 0.195 USER MOD Single : A 59 LYS NZ :NH3+ 171:sc= 1.3 (180deg=0.85) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0118 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.0132 K(o=-0.013,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 70 N ILE A 6 2.920 -11.512 1.336 1.00 0.00 N ATOM 71 CA ILE A 6 1.889 -12.119 2.212 1.00 0.00 C ATOM 72 C ILE A 6 1.730 -11.341 3.521 1.00 0.00 C ATOM 73 O ILE A 6 0.616 -11.107 3.984 1.00 0.00 O ATOM 74 CB ILE A 6 2.150 -13.630 2.479 1.00 0.00 C ATOM 75 CG1 ILE A 6 3.040 -13.965 3.697 1.00 0.00 C ATOM 76 CG2 ILE A 6 2.752 -14.326 1.255 1.00 0.00 C ATOM 77 CD1 ILE A 6 2.191 -14.158 4.964 1.00 0.00 C ATOM 0 HA ILE A 6 0.945 -12.053 1.670 1.00 0.00 H new ATOM 0 HB ILE A 6 1.151 -14.003 2.707 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.611 -14.871 3.496 1.00 0.00 H new ATOM 0 HG13 ILE A 6 3.761 -13.163 3.857 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.920 -15.379 1.481 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.065 -14.240 0.413 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.701 -13.855 0.998 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.842 -14.393 5.806 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.640 -13.242 5.176 1.00 0.00 H new ATOM 0 HD13 ILE A 6 1.488 -14.977 4.810 1.00 0.00 H new ATOM 89 N LEU A 7 2.849 -10.889 4.088 1.00 0.00 N ATOM 90 CA LEU A 7 2.955 -10.117 5.332 1.00 0.00 C ATOM 91 C LEU A 7 2.439 -8.662 5.217 1.00 0.00 C ATOM 92 O LEU A 7 2.868 -7.768 5.939 1.00 0.00 O ATOM 93 CB LEU A 7 4.381 -10.258 5.903 1.00 0.00 C ATOM 94 CG LEU A 7 5.541 -9.624 5.108 1.00 0.00 C ATOM 95 CD1 LEU A 7 6.823 -9.754 5.932 1.00 0.00 C ATOM 96 CD2 LEU A 7 5.824 -10.291 3.757 1.00 0.00 C ATOM 0 H LEU A 7 3.762 -11.061 3.668 1.00 0.00 H new ATOM 0 HA LEU A 7 2.268 -10.544 6.062 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.385 -9.826 6.904 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.593 -11.321 6.014 1.00 0.00 H new ATOM 0 HG LEU A 7 5.241 -8.594 4.917 1.00 0.00 H new ATOM 0 HD11 LEU A 7 7.654 -9.310 5.384 1.00 0.00 H new ATOM 0 HD12 LEU A 7 6.698 -9.237 6.883 1.00 0.00 H new ATOM 0 HD13 LEU A 7 7.032 -10.808 6.117 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.654 -9.782 3.267 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.083 -11.338 3.915 1.00 0.00 H new ATOM 0 HD23 LEU A 7 4.937 -10.228 3.127 1.00 0.00 H new ATOM 108 N ASP A 8 1.478 -8.469 4.315 1.00 0.00 N ATOM 109 CA ASP A 8 0.695 -7.241 4.087 1.00 0.00 C ATOM 110 C ASP A 8 -0.820 -7.498 4.239 1.00 0.00 C ATOM 111 O ASP A 8 -1.618 -6.562 4.223 1.00 0.00 O ATOM 112 CB ASP A 8 1.015 -6.679 2.685 1.00 0.00 C ATOM 113 CG ASP A 8 0.954 -5.145 2.612 1.00 0.00 C ATOM 114 OD1 ASP A 8 1.624 -4.464 3.422 1.00 0.00 O ATOM 115 OD2 ASP A 8 0.331 -4.548 1.705 1.00 0.00 O ATOM 0 H ASP A 8 1.202 -9.215 3.676 1.00 0.00 H new ATOM 0 HA ASP A 8 0.975 -6.507 4.843 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.010 -7.010 2.388 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.312 -7.098 1.965 1.00 0.00 H new ATOM 120 N ILE A 9 -1.223 -8.768 4.402 1.00 0.00 N ATOM 121 CA ILE A 9 -2.609 -9.215 4.597 1.00 0.00 C ATOM 122 C ILE A 9 -2.795 -9.962 5.933 1.00 0.00 C ATOM 123 O ILE A 9 -1.892 -10.051 6.764 1.00 0.00 O ATOM 124 CB ILE A 9 -3.105 -10.041 3.388 1.00 0.00 C ATOM 125 CG1 ILE A 9 -2.610 -11.507 3.384 1.00 0.00 C ATOM 126 CG2 ILE A 9 -2.792 -9.336 2.052 1.00 0.00 C ATOM 127 CD1 ILE A 9 -3.505 -12.384 2.499 1.00 0.00 C ATOM 0 H ILE A 9 -0.562 -9.545 4.401 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.235 -8.324 4.657 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.188 -10.097 3.499 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -1.583 -11.547 3.022 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.605 -11.896 4.402 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.155 -9.946 1.225 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.284 -8.364 2.030 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.715 -9.199 1.956 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.137 -13.410 2.512 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.527 -12.360 2.878 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.488 -12.006 1.477 1.00 0.00 H new ATOM 139 N ARG A 10 -3.980 -10.558 6.139 1.00 0.00 N ATOM 140 CA ARG A 10 -4.239 -11.453 7.269 1.00 0.00 C ATOM 141 C ARG A 10 -3.331 -12.689 7.332 1.00 0.00 C ATOM 142 O ARG A 10 -3.087 -13.393 6.362 1.00 0.00 O ATOM 143 CB ARG A 10 -5.723 -11.875 7.299 1.00 0.00 C ATOM 144 CG ARG A 10 -6.248 -12.693 6.097 1.00 0.00 C ATOM 145 CD ARG A 10 -5.827 -14.177 6.125 1.00 0.00 C ATOM 146 NE ARG A 10 -6.909 -15.126 5.808 1.00 0.00 N ATOM 147 CZ ARG A 10 -7.044 -16.333 6.344 1.00 0.00 C ATOM 148 NH1 ARG A 10 -6.326 -16.770 7.342 1.00 0.00 N ATOM 149 NH2 ARG A 10 -7.938 -17.151 5.881 1.00 0.00 N ATOM 0 H ARG A 10 -4.784 -10.430 5.524 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.998 -10.869 8.157 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.890 -12.459 8.204 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -6.329 -10.973 7.385 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.336 -12.634 6.076 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -5.886 -12.239 5.174 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.013 -14.324 5.415 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -5.434 -14.411 7.114 1.00 0.00 H new ATOM 0 HE ARG A 10 -7.607 -14.833 5.125 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.611 -16.172 7.756 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.480 -17.710 7.708 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -8.537 -16.867 5.106 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.042 -18.079 6.292 1.00 0.00 H new ATOM 163 N GLN A 11 -2.915 -12.989 8.544 1.00 0.00 N ATOM 164 CA GLN A 11 -2.354 -14.250 8.995 1.00 0.00 C ATOM 165 C GLN A 11 -3.566 -15.149 9.349 1.00 0.00 C ATOM 166 O GLN A 11 -4.701 -14.682 9.446 1.00 0.00 O ATOM 167 CB GLN A 11 -1.412 -13.901 10.170 1.00 0.00 C ATOM 168 CG GLN A 11 -0.870 -15.054 11.030 1.00 0.00 C ATOM 169 CD GLN A 11 -1.661 -15.223 12.324 1.00 0.00 C ATOM 170 OE1 GLN A 11 -2.491 -16.105 12.459 1.00 0.00 O ATOM 171 NE2 GLN A 11 -1.439 -14.387 13.314 1.00 0.00 N ATOM 0 H GLN A 11 -2.963 -12.306 9.300 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.756 -14.801 8.269 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.559 -13.358 9.763 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.942 -13.214 10.829 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.908 -15.981 10.458 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.178 -14.868 11.267 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.746 -13.646 13.210 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.960 -14.480 14.186 1.00 0.00 H new ATOM 180 N GLY A 12 -3.378 -16.454 9.475 1.00 0.00 N ATOM 181 CA GLY A 12 -4.404 -17.341 10.030 1.00 0.00 C ATOM 182 C GLY A 12 -4.265 -18.797 9.611 1.00 0.00 C ATOM 183 O GLY A 12 -5.069 -19.241 8.789 1.00 0.00 O ATOM 0 H GLY A 12 -2.519 -16.931 9.200 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -4.368 -17.283 11.118 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -5.385 -16.979 9.724 1.00 0.00 H new ATOM 187 N PRO A 13 -3.302 -19.544 10.178 1.00 0.00 N ATOM 188 CA PRO A 13 -3.135 -20.984 9.990 1.00 0.00 C ATOM 189 C PRO A 13 -4.223 -21.790 10.730 1.00 0.00 C ATOM 190 O PRO A 13 -3.933 -22.708 11.498 1.00 0.00 O ATOM 191 CB PRO A 13 -1.737 -21.264 10.529 1.00 0.00 C ATOM 192 CG PRO A 13 -1.609 -20.293 11.697 1.00 0.00 C ATOM 193 CD PRO A 13 -2.391 -19.078 11.217 1.00 0.00 C ATOM 0 HA PRO A 13 -3.241 -21.286 8.948 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -1.631 -22.299 10.853 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.972 -21.087 9.773 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -2.028 -20.707 12.614 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.568 -20.047 11.905 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.943 -18.625 12.040 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -1.718 -18.315 10.826 1.00 0.00 H new ATOM 201 N LYS A 14 -5.484 -21.389 10.582 1.00 0.00 N ATOM 202 CA LYS A 14 -6.650 -22.098 11.150 1.00 0.00 C ATOM 203 C LYS A 14 -7.887 -21.941 10.264 1.00 0.00 C ATOM 204 O LYS A 14 -7.899 -21.044 9.430 1.00 0.00 O ATOM 205 CB LYS A 14 -6.857 -21.600 12.589 1.00 0.00 C ATOM 206 CG LYS A 14 -7.870 -22.434 13.391 1.00 0.00 C ATOM 207 CD LYS A 14 -7.741 -22.254 14.907 1.00 0.00 C ATOM 208 CE LYS A 14 -6.483 -22.978 15.396 1.00 0.00 C ATOM 209 NZ LYS A 14 -6.264 -22.802 16.849 1.00 0.00 N ATOM 0 H LYS A 14 -5.738 -20.551 10.058 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.467 -23.172 11.182 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.899 -21.610 13.109 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.194 -20.564 12.561 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.879 -22.159 13.084 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.738 -23.488 13.145 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.685 -21.194 15.156 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.623 -22.653 15.409 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.567 -24.041 15.169 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.616 -22.603 14.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.256 -22.935 17.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.556 -21.844 17.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.826 -23.503 17.372 1.00 0.00 H new ATOM 223 N GLU A 15 -8.898 -22.787 10.473 1.00 0.00 N ATOM 224 CA GLU A 15 -10.187 -22.914 9.773 1.00 0.00 C ATOM 225 C GLU A 15 -10.101 -22.710 8.238 1.00 0.00 C ATOM 226 O GLU A 15 -9.979 -23.727 7.552 1.00 0.00 O ATOM 227 CB GLU A 15 -11.304 -22.150 10.521 1.00 0.00 C ATOM 228 CG GLU A 15 -11.868 -22.899 11.741 1.00 0.00 C ATOM 229 CD GLU A 15 -12.631 -24.156 11.310 1.00 0.00 C ATOM 230 OE1 GLU A 15 -13.385 -24.103 10.306 1.00 0.00 O ATOM 231 OE2 GLU A 15 -12.411 -25.242 11.891 1.00 0.00 O ATOM 0 H GLU A 15 -8.830 -23.479 11.219 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.493 -23.959 9.818 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.914 -21.186 10.848 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.118 -21.945 9.826 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.054 -23.175 12.411 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -12.532 -22.241 12.301 1.00 0.00 H new ATOM 238 N PRO A 16 -10.083 -21.493 7.653 1.00 0.00 N ATOM 239 CA PRO A 16 -9.747 -21.252 6.237 1.00 0.00 C ATOM 240 C PRO A 16 -8.290 -21.619 5.827 1.00 0.00 C ATOM 241 O PRO A 16 -7.565 -20.761 5.313 1.00 0.00 O ATOM 242 CB PRO A 16 -10.093 -19.768 5.998 1.00 0.00 C ATOM 243 CG PRO A 16 -9.992 -19.135 7.377 1.00 0.00 C ATOM 244 CD PRO A 16 -10.509 -20.242 8.273 1.00 0.00 C ATOM 0 HA PRO A 16 -10.320 -21.920 5.594 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -9.400 -19.305 5.296 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.093 -19.655 5.580 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -8.967 -18.856 7.623 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -10.596 -18.231 7.456 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -10.105 -20.149 9.281 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -11.595 -20.199 8.359 1.00 0.00 H new ATOM 252 N PHE A 17 -7.844 -22.877 6.024 1.00 0.00 N ATOM 253 CA PHE A 17 -6.547 -23.366 5.511 1.00 0.00 C ATOM 254 C PHE A 17 -6.503 -23.251 3.985 1.00 0.00 C ATOM 255 O PHE A 17 -5.610 -22.586 3.475 1.00 0.00 O ATOM 256 CB PHE A 17 -6.192 -24.819 5.946 1.00 0.00 C ATOM 257 CG PHE A 17 -4.800 -25.009 6.569 1.00 0.00 C ATOM 258 CD1 PHE A 17 -4.451 -24.234 7.697 1.00 0.00 C ATOM 259 CD2 PHE A 17 -3.857 -25.950 6.067 1.00 0.00 C ATOM 260 CE1 PHE A 17 -3.170 -24.337 8.273 1.00 0.00 C ATOM 261 CE2 PHE A 17 -2.559 -26.012 6.625 1.00 0.00 C ATOM 262 CZ PHE A 17 -2.222 -25.200 7.718 1.00 0.00 C ATOM 0 H PHE A 17 -8.371 -23.581 6.542 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.790 -22.724 5.962 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -6.940 -25.156 6.664 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -6.271 -25.469 5.074 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -5.175 -23.555 8.123 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.132 -26.615 5.262 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.921 -23.749 9.144 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.825 -26.686 6.209 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.225 -25.242 8.132 1.00 0.00 H new ATOM 272 N ARG A 18 -7.469 -23.823 3.231 1.00 0.00 N ATOM 273 CA ARG A 18 -7.428 -23.772 1.772 1.00 0.00 C ATOM 274 C ARG A 18 -7.690 -22.350 1.274 1.00 0.00 C ATOM 275 O ARG A 18 -6.962 -21.817 0.443 1.00 0.00 O ATOM 276 CB ARG A 18 -8.284 -24.892 1.155 1.00 0.00 C ATOM 277 CG ARG A 18 -9.797 -24.678 1.065 1.00 0.00 C ATOM 278 CD ARG A 18 -10.110 -23.656 -0.034 1.00 0.00 C ATOM 279 NE ARG A 18 -11.249 -24.018 -0.894 1.00 0.00 N ATOM 280 CZ ARG A 18 -12.528 -23.914 -0.570 1.00 0.00 C ATOM 281 NH1 ARG A 18 -12.927 -23.657 0.641 1.00 0.00 N ATOM 282 NH2 ARG A 18 -13.453 -24.070 -1.479 1.00 0.00 N ATOM 0 H ARG A 18 -8.274 -24.318 3.614 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.424 -23.994 1.410 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.913 -25.078 0.147 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -8.110 -25.801 1.731 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.295 -25.623 0.849 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -10.182 -24.326 2.022 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.314 -22.691 0.431 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.225 -23.529 -0.658 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.033 -24.381 -1.822 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -12.243 -23.527 1.386 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -13.924 -23.586 0.845 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.191 -24.273 -2.444 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -14.437 -23.989 -1.224 1.00 0.00 H new ATOM 296 N ASP A 19 -8.653 -21.687 1.914 1.00 0.00 N ATOM 297 CA ASP A 19 -9.116 -20.325 1.590 1.00 0.00 C ATOM 298 C ASP A 19 -8.059 -19.240 1.879 1.00 0.00 C ATOM 299 O ASP A 19 -8.276 -18.046 1.658 1.00 0.00 O ATOM 300 CB ASP A 19 -10.442 -20.063 2.319 1.00 0.00 C ATOM 301 CG ASP A 19 -11.478 -21.126 1.957 1.00 0.00 C ATOM 302 OD1 ASP A 19 -11.412 -22.237 2.536 1.00 0.00 O ATOM 303 OD2 ASP A 19 -12.220 -20.933 0.974 1.00 0.00 O ATOM 0 H ASP A 19 -9.155 -22.094 2.703 1.00 0.00 H new ATOM 0 HA ASP A 19 -9.282 -20.265 0.514 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.276 -20.062 3.396 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -10.819 -19.075 2.054 1.00 0.00 H new ATOM 308 N TYR A 20 -6.879 -19.675 2.317 1.00 0.00 N ATOM 309 CA TYR A 20 -5.669 -18.884 2.437 1.00 0.00 C ATOM 310 C TYR A 20 -4.487 -19.530 1.696 1.00 0.00 C ATOM 311 O TYR A 20 -3.786 -18.824 0.982 1.00 0.00 O ATOM 312 CB TYR A 20 -5.368 -18.672 3.921 1.00 0.00 C ATOM 313 CG TYR A 20 -4.263 -17.689 4.262 1.00 0.00 C ATOM 314 CD1 TYR A 20 -3.736 -16.790 3.310 1.00 0.00 C ATOM 315 CD2 TYR A 20 -3.734 -17.710 5.564 1.00 0.00 C ATOM 316 CE1 TYR A 20 -2.624 -15.999 3.629 1.00 0.00 C ATOM 317 CE2 TYR A 20 -2.632 -16.904 5.893 1.00 0.00 C ATOM 318 CZ TYR A 20 -2.058 -16.068 4.912 1.00 0.00 C ATOM 319 OH TYR A 20 -0.941 -15.350 5.169 1.00 0.00 O ATOM 0 H TYR A 20 -6.740 -20.642 2.612 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.823 -17.915 1.962 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.283 -18.337 4.409 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.110 -19.637 4.357 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.191 -16.712 2.334 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.177 -18.348 6.314 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -2.202 -15.336 2.888 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -2.225 -16.924 6.893 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.188 -14.498 5.586 1.00 0.00 H new ATOM 329 N VAL A 21 -4.274 -20.845 1.783 1.00 0.00 N ATOM 330 CA VAL A 21 -3.099 -21.538 1.222 1.00 0.00 C ATOM 331 C VAL A 21 -2.892 -21.320 -0.265 1.00 0.00 C ATOM 332 O VAL A 21 -1.783 -21.007 -0.700 1.00 0.00 O ATOM 333 CB VAL A 21 -3.140 -23.042 1.524 1.00 0.00 C ATOM 334 CG1 VAL A 21 -4.051 -23.935 0.682 1.00 0.00 C ATOM 335 CG2 VAL A 21 -1.750 -23.605 1.377 1.00 0.00 C ATOM 0 H VAL A 21 -4.923 -21.475 2.254 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.245 -21.082 1.723 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.560 -23.068 2.529 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.964 -24.967 1.022 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.084 -23.604 0.788 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.755 -23.872 -0.365 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.766 -24.674 1.589 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.397 -23.443 0.358 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.080 -23.106 2.077 1.00 0.00 H new ATOM 345 N ASP A 22 -3.985 -21.421 -1.014 1.00 0.00 N ATOM 346 CA ASP A 22 -4.061 -21.216 -2.442 1.00 0.00 C ATOM 347 C ASP A 22 -3.553 -19.812 -2.805 1.00 0.00 C ATOM 348 O ASP A 22 -2.698 -19.578 -3.659 1.00 0.00 O ATOM 349 CB ASP A 22 -5.558 -21.310 -2.758 1.00 0.00 C ATOM 350 CG ASP A 22 -6.296 -22.640 -2.514 1.00 0.00 C ATOM 351 OD1 ASP A 22 -5.653 -23.677 -2.242 1.00 0.00 O ATOM 352 OD2 ASP A 22 -7.548 -22.565 -2.541 1.00 0.00 O ATOM 0 H ASP A 22 -4.890 -21.662 -0.610 1.00 0.00 H new ATOM 0 HA ASP A 22 -3.459 -21.937 -2.996 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -6.065 -20.542 -2.175 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -5.688 -21.050 -3.809 1.00 0.00 H new ATOM 357 N ARG A 23 -4.101 -18.853 -2.063 1.00 0.00 N ATOM 358 CA ARG A 23 -3.840 -17.414 -2.118 1.00 0.00 C ATOM 359 C ARG A 23 -2.431 -17.049 -1.610 1.00 0.00 C ATOM 360 O ARG A 23 -1.858 -16.075 -2.106 1.00 0.00 O ATOM 361 CB ARG A 23 -4.950 -16.644 -1.349 1.00 0.00 C ATOM 362 CG ARG A 23 -6.238 -17.398 -0.943 1.00 0.00 C ATOM 363 CD ARG A 23 -7.064 -17.972 -2.100 1.00 0.00 C ATOM 364 NE ARG A 23 -8.153 -17.077 -2.526 1.00 0.00 N ATOM 365 CZ ARG A 23 -9.121 -17.417 -3.367 1.00 0.00 C ATOM 366 NH1 ARG A 23 -9.159 -18.591 -3.940 1.00 0.00 N ATOM 367 NH2 ARG A 23 -10.080 -16.581 -3.656 1.00 0.00 N ATOM 0 H ARG A 23 -4.795 -19.079 -1.350 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.866 -17.109 -3.164 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -4.503 -16.242 -0.440 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.246 -15.793 -1.962 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.964 -18.215 -0.276 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.870 -16.718 -0.371 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.407 -18.165 -2.948 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.486 -18.931 -1.798 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.164 -16.130 -2.148 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.430 -19.277 -3.745 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.918 -18.821 -4.582 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.092 -15.653 -3.234 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.818 -16.856 -4.304 1.00 0.00 H new ATOM 381 N PHE A 24 -1.904 -17.801 -0.646 1.00 0.00 N ATOM 382 CA PHE A 24 -0.603 -17.621 0.004 1.00 0.00 C ATOM 383 C PHE A 24 0.519 -18.078 -0.929 1.00 0.00 C ATOM 384 O PHE A 24 1.330 -17.239 -1.321 1.00 0.00 O ATOM 385 CB PHE A 24 -0.568 -18.370 1.353 1.00 0.00 C ATOM 386 CG PHE A 24 0.816 -18.528 1.962 1.00 0.00 C ATOM 387 CD1 PHE A 24 1.379 -17.501 2.740 1.00 0.00 C ATOM 388 CD2 PHE A 24 1.552 -19.708 1.741 1.00 0.00 C ATOM 389 CE1 PHE A 24 2.702 -17.621 3.202 1.00 0.00 C ATOM 390 CE2 PHE A 24 2.875 -19.820 2.202 1.00 0.00 C ATOM 391 CZ PHE A 24 3.480 -18.738 2.869 1.00 0.00 C ATOM 0 H PHE A 24 -2.406 -18.606 -0.272 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.450 -16.562 0.214 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.203 -17.840 2.063 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.003 -19.360 1.214 1.00 0.00 H new ATOM 0 HD1 PHE A 24 0.798 -16.623 2.982 1.00 0.00 H new ATOM 0 HD2 PHE A 24 1.097 -20.533 1.213 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.123 -16.843 3.821 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.427 -20.735 2.045 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.530 -18.768 3.121 1.00 0.00 H new ATOM 401 N TYR A 25 0.529 -19.342 -1.385 1.00 0.00 N ATOM 402 CA TYR A 25 1.558 -19.807 -2.329 1.00 0.00 C ATOM 403 C TYR A 25 1.534 -19.011 -3.661 1.00 0.00 C ATOM 404 O TYR A 25 2.600 -18.666 -4.182 1.00 0.00 O ATOM 405 CB TYR A 25 1.528 -21.340 -2.496 1.00 0.00 C ATOM 406 CG TYR A 25 2.565 -22.082 -1.646 1.00 0.00 C ATOM 407 CD1 TYR A 25 3.890 -22.208 -2.112 1.00 0.00 C ATOM 408 CD2 TYR A 25 2.244 -22.606 -0.376 1.00 0.00 C ATOM 409 CE1 TYR A 25 4.889 -22.805 -1.312 1.00 0.00 C ATOM 410 CE2 TYR A 25 3.244 -23.210 0.422 1.00 0.00 C ATOM 411 CZ TYR A 25 4.576 -23.306 -0.030 1.00 0.00 C ATOM 412 OH TYR A 25 5.564 -23.845 0.746 1.00 0.00 O ATOM 0 H TYR A 25 -0.154 -20.051 -1.119 1.00 0.00 H new ATOM 0 HA TYR A 25 2.534 -19.587 -1.897 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.534 -21.704 -2.236 1.00 0.00 H new ATOM 0 HB3 TYR A 25 1.693 -21.584 -3.546 1.00 0.00 H new ATOM 0 HD1 TYR A 25 4.145 -21.842 -3.096 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.229 -22.546 -0.011 1.00 0.00 H new ATOM 0 HE1 TYR A 25 5.900 -22.879 -1.684 1.00 0.00 H new ATOM 0 HE2 TYR A 25 2.983 -23.604 1.393 1.00 0.00 H new ATOM 0 HH TYR A 25 5.166 -24.433 1.421 1.00 0.00 H new ATOM 422 N LYS A 26 0.352 -18.571 -4.134 1.00 0.00 N ATOM 423 CA LYS A 26 0.168 -17.620 -5.258 1.00 0.00 C ATOM 424 C LYS A 26 0.944 -16.294 -5.123 1.00 0.00 C ATOM 425 O LYS A 26 1.198 -15.637 -6.133 1.00 0.00 O ATOM 426 CB LYS A 26 -1.354 -17.397 -5.435 1.00 0.00 C ATOM 427 CG LYS A 26 -1.801 -16.226 -6.333 1.00 0.00 C ATOM 428 CD LYS A 26 -1.819 -14.873 -5.592 1.00 0.00 C ATOM 429 CE LYS A 26 -3.125 -14.612 -4.836 1.00 0.00 C ATOM 430 NZ LYS A 26 -2.857 -13.948 -3.537 1.00 0.00 N ATOM 0 H LYS A 26 -0.535 -18.876 -3.733 1.00 0.00 H new ATOM 0 HA LYS A 26 0.604 -18.064 -6.153 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.784 -18.314 -5.839 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.790 -17.249 -4.447 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.131 -16.156 -7.190 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -2.797 -16.434 -6.723 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.988 -14.842 -4.888 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.658 -14.071 -6.312 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.782 -13.987 -5.441 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.648 -15.554 -4.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.625 -13.280 -3.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.803 -14.665 -2.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.955 -13.433 -3.590 1.00 0.00 H new ATOM 444 N THR A 27 1.277 -15.855 -3.907 1.00 0.00 N ATOM 445 CA THR A 27 1.851 -14.543 -3.599 1.00 0.00 C ATOM 446 C THR A 27 3.290 -14.747 -3.119 1.00 0.00 C ATOM 447 O THR A 27 4.199 -14.197 -3.728 1.00 0.00 O ATOM 448 CB THR A 27 0.926 -13.879 -2.563 1.00 0.00 C ATOM 449 OG1 THR A 27 -0.137 -13.210 -3.211 1.00 0.00 O ATOM 450 CG2 THR A 27 1.551 -12.785 -1.738 1.00 0.00 C ATOM 0 H THR A 27 1.148 -16.429 -3.074 1.00 0.00 H new ATOM 0 HA THR A 27 1.909 -13.879 -4.461 1.00 0.00 H new ATOM 0 HB THR A 27 0.639 -14.716 -1.927 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.625 -12.664 -2.560 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.813 -12.387 -1.042 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.396 -13.188 -1.180 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.897 -11.987 -2.395 1.00 0.00 H new ATOM 458 N LEU A 28 3.496 -15.657 -2.155 1.00 0.00 N ATOM 459 CA LEU A 28 4.796 -16.186 -1.691 1.00 0.00 C ATOM 460 C LEU A 28 5.829 -16.380 -2.805 1.00 0.00 C ATOM 461 O LEU A 28 7.008 -16.108 -2.611 1.00 0.00 O ATOM 462 CB LEU A 28 4.553 -17.521 -0.960 1.00 0.00 C ATOM 463 CG LEU A 28 5.817 -18.390 -0.745 1.00 0.00 C ATOM 464 CD1 LEU A 28 5.740 -19.182 0.544 1.00 0.00 C ATOM 465 CD2 LEU A 28 6.017 -19.422 -1.862 1.00 0.00 C ATOM 0 H LEU A 28 2.715 -16.071 -1.645 1.00 0.00 H new ATOM 0 HA LEU A 28 5.223 -15.438 -1.023 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.106 -17.310 0.012 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.824 -18.101 -1.527 1.00 0.00 H new ATOM 0 HG LEU A 28 6.643 -17.679 -0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.645 -19.779 0.659 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.648 -18.497 1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.872 -19.841 0.515 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.917 -20.004 -1.663 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.155 -20.088 -1.901 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.122 -18.908 -2.818 1.00 0.00 H new ATOM 477 N ARG A 29 5.412 -16.864 -3.980 1.00 0.00 N ATOM 478 CA ARG A 29 6.300 -17.031 -5.143 1.00 0.00 C ATOM 479 C ARG A 29 7.023 -15.754 -5.628 1.00 0.00 C ATOM 480 O ARG A 29 7.849 -15.868 -6.523 1.00 0.00 O ATOM 481 CB ARG A 29 5.564 -17.801 -6.250 1.00 0.00 C ATOM 482 CG ARG A 29 4.288 -17.132 -6.775 1.00 0.00 C ATOM 483 CD ARG A 29 4.549 -15.921 -7.683 1.00 0.00 C ATOM 484 NE ARG A 29 3.282 -15.326 -8.136 1.00 0.00 N ATOM 485 CZ ARG A 29 2.451 -15.822 -9.033 1.00 0.00 C ATOM 486 NH1 ARG A 29 2.721 -16.903 -9.707 1.00 0.00 N ATOM 487 NH2 ARG A 29 1.319 -15.229 -9.271 1.00 0.00 N ATOM 0 H ARG A 29 4.449 -17.152 -4.155 1.00 0.00 H new ATOM 0 HA ARG A 29 7.144 -17.633 -4.807 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.249 -17.947 -7.086 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.307 -18.791 -5.872 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.704 -17.868 -7.327 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.681 -16.814 -5.927 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.134 -15.176 -7.144 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.141 -16.228 -8.545 1.00 0.00 H new ATOM 0 HE ARG A 29 3.018 -14.437 -7.712 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.600 -17.396 -9.549 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.054 -17.257 -10.393 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.072 -14.379 -8.764 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.678 -15.614 -9.965 1.00 0.00 H new ATOM 501 N ALA A 30 6.733 -14.567 -5.096 1.00 0.00 N ATOM 502 CA ALA A 30 7.544 -13.367 -5.311 1.00 0.00 C ATOM 503 C ALA A 30 8.762 -13.329 -4.362 1.00 0.00 C ATOM 504 O ALA A 30 9.851 -12.961 -4.789 1.00 0.00 O ATOM 505 CB ALA A 30 6.647 -12.138 -5.126 1.00 0.00 C ATOM 0 H ALA A 30 5.922 -14.409 -4.498 1.00 0.00 H new ATOM 0 HA ALA A 30 7.947 -13.375 -6.324 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.234 -11.233 -5.282 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.831 -12.171 -5.848 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.237 -12.135 -4.116 1.00 0.00 H new ATOM 511 N GLU A 31 8.617 -13.803 -3.120 1.00 0.00 N ATOM 512 CA GLU A 31 9.708 -13.896 -2.134 1.00 0.00 C ATOM 513 C GLU A 31 10.494 -15.219 -2.231 1.00 0.00 C ATOM 514 O GLU A 31 11.617 -15.310 -1.740 1.00 0.00 O ATOM 515 CB GLU A 31 9.184 -13.762 -0.684 1.00 0.00 C ATOM 516 CG GLU A 31 7.825 -13.085 -0.466 1.00 0.00 C ATOM 517 CD GLU A 31 7.737 -11.683 -1.067 1.00 0.00 C ATOM 518 OE1 GLU A 31 8.696 -10.895 -0.950 1.00 0.00 O ATOM 519 OE2 GLU A 31 6.664 -11.380 -1.633 1.00 0.00 O ATOM 0 H GLU A 31 7.723 -14.140 -2.762 1.00 0.00 H new ATOM 0 HA GLU A 31 10.374 -13.067 -2.374 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.130 -14.763 -0.255 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.928 -13.209 -0.111 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.044 -13.708 -0.902 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.625 -13.026 0.604 1.00 0.00 H new ATOM 526 N GLN A 32 9.899 -16.269 -2.815 1.00 0.00 N ATOM 527 CA GLN A 32 10.422 -17.648 -2.783 1.00 0.00 C ATOM 528 C GLN A 32 10.530 -18.324 -4.161 1.00 0.00 C ATOM 529 O GLN A 32 11.191 -19.355 -4.268 1.00 0.00 O ATOM 530 CB GLN A 32 9.506 -18.512 -1.890 1.00 0.00 C ATOM 531 CG GLN A 32 9.354 -18.051 -0.430 1.00 0.00 C ATOM 532 CD GLN A 32 10.640 -18.213 0.367 1.00 0.00 C ATOM 533 OE1 GLN A 32 10.801 -19.184 1.088 1.00 0.00 O ATOM 534 NE2 GLN A 32 11.588 -17.304 0.304 1.00 0.00 N ATOM 0 H GLN A 32 9.024 -16.185 -3.333 1.00 0.00 H new ATOM 0 HA GLN A 32 11.437 -17.574 -2.391 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.516 -18.545 -2.344 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.890 -19.532 -1.890 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.048 -17.005 -0.412 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.559 -18.624 0.048 1.00 0.00 H new ATOM 0 HE21 GLN A 32 11.471 -16.486 -0.293 1.00 0.00 H new ATOM 0 HE22 GLN A 32 12.440 -17.417 0.852 1.00 0.00 H new ATOM 543 N ALA A 33 9.868 -17.787 -5.196 1.00 0.00 N ATOM 544 CA ALA A 33 9.783 -18.297 -6.581 1.00 0.00 C ATOM 545 C ALA A 33 9.618 -19.826 -6.794 1.00 0.00 C ATOM 546 O ALA A 33 9.827 -20.326 -7.897 1.00 0.00 O ATOM 547 CB ALA A 33 10.936 -17.670 -7.374 1.00 0.00 C ATOM 0 H ALA A 33 9.338 -16.923 -5.084 1.00 0.00 H new ATOM 0 HA ALA A 33 8.816 -17.979 -6.970 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.905 -18.025 -8.404 1.00 0.00 H new ATOM 0 HB2 ALA A 33 10.838 -16.584 -7.361 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.886 -17.954 -6.921 1.00 0.00 H new ATOM 553 N SER A 34 9.206 -20.580 -5.774 1.00 0.00 N ATOM 554 CA SER A 34 9.224 -22.046 -5.759 1.00 0.00 C ATOM 555 C SER A 34 8.120 -22.641 -4.872 1.00 0.00 C ATOM 556 O SER A 34 7.357 -21.923 -4.223 1.00 0.00 O ATOM 557 CB SER A 34 10.614 -22.521 -5.302 1.00 0.00 C ATOM 558 OG SER A 34 10.929 -22.022 -4.019 1.00 0.00 O ATOM 0 H SER A 34 8.840 -20.178 -4.911 1.00 0.00 H new ATOM 0 HA SER A 34 9.022 -22.401 -6.770 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.642 -23.611 -5.288 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.367 -22.192 -6.018 1.00 0.00 H new ATOM 0 HG SER A 34 11.160 -21.072 -4.085 1.00 0.00 H new ATOM 564 N GLN A 35 8.006 -23.971 -4.891 1.00 0.00 N ATOM 565 CA GLN A 35 7.012 -24.777 -4.182 1.00 0.00 C ATOM 566 C GLN A 35 7.714 -26.097 -3.830 1.00 0.00 C ATOM 567 O GLN A 35 8.016 -26.896 -4.716 1.00 0.00 O ATOM 568 CB GLN A 35 5.816 -24.969 -5.134 1.00 0.00 C ATOM 569 CG GLN A 35 4.504 -25.429 -4.485 1.00 0.00 C ATOM 570 CD GLN A 35 4.603 -26.709 -3.672 1.00 0.00 C ATOM 571 OE1 GLN A 35 4.267 -26.744 -2.502 1.00 0.00 O ATOM 572 NE2 GLN A 35 5.035 -27.801 -4.259 1.00 0.00 N ATOM 0 H GLN A 35 8.646 -24.549 -5.436 1.00 0.00 H new ATOM 0 HA GLN A 35 6.634 -24.323 -3.266 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.632 -24.026 -5.648 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.096 -25.698 -5.895 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.138 -24.632 -3.837 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.759 -25.571 -5.268 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.317 -27.776 -5.239 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.088 -28.675 -3.735 1.00 0.00 H new ATOM 581 N GLU A 36 8.050 -26.287 -2.556 1.00 0.00 N ATOM 582 CA GLU A 36 8.936 -27.363 -2.110 1.00 0.00 C ATOM 583 C GLU A 36 8.724 -27.662 -0.620 1.00 0.00 C ATOM 584 O GLU A 36 8.395 -26.773 0.162 1.00 0.00 O ATOM 585 CB GLU A 36 10.396 -26.926 -2.359 1.00 0.00 C ATOM 586 CG GLU A 36 11.398 -28.088 -2.235 1.00 0.00 C ATOM 587 CD GLU A 36 12.854 -27.632 -2.389 1.00 0.00 C ATOM 588 OE1 GLU A 36 13.193 -26.523 -1.925 1.00 0.00 O ATOM 589 OE2 GLU A 36 13.730 -28.428 -2.801 1.00 0.00 O ATOM 0 H GLU A 36 7.713 -25.695 -1.797 1.00 0.00 H new ATOM 0 HA GLU A 36 8.713 -28.272 -2.668 1.00 0.00 H new ATOM 0 HB2 GLU A 36 10.475 -26.490 -3.355 1.00 0.00 H new ATOM 0 HB3 GLU A 36 10.663 -26.145 -1.647 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.273 -28.569 -1.265 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.174 -28.838 -2.994 1.00 0.00 H new ATOM 596 N VAL A 37 8.986 -28.910 -0.223 1.00 0.00 N ATOM 597 CA VAL A 37 8.904 -29.433 1.153 1.00 0.00 C ATOM 598 C VAL A 37 9.833 -28.722 2.147 1.00 0.00 C ATOM 599 O VAL A 37 9.594 -28.722 3.354 1.00 0.00 O ATOM 600 CB VAL A 37 9.209 -30.943 1.119 1.00 0.00 C ATOM 601 CG1 VAL A 37 9.182 -31.590 2.507 1.00 0.00 C ATOM 602 CG2 VAL A 37 8.223 -31.669 0.193 1.00 0.00 C ATOM 0 H VAL A 37 9.278 -29.627 -0.887 1.00 0.00 H new ATOM 0 HA VAL A 37 7.894 -29.242 1.515 1.00 0.00 H new ATOM 0 HB VAL A 37 10.224 -31.043 0.734 1.00 0.00 H new ATOM 0 HG11 VAL A 37 9.404 -32.653 2.417 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.929 -31.116 3.144 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.194 -31.462 2.949 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.453 -32.734 0.181 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.206 -31.521 0.557 1.00 0.00 H new ATOM 0 HG23 VAL A 37 8.309 -31.268 -0.817 1.00 0.00 H new ATOM 612 N LYS A 38 10.893 -28.077 1.651 1.00 0.00 N ATOM 613 CA LYS A 38 11.779 -27.161 2.392 1.00 0.00 C ATOM 614 C LYS A 38 11.075 -25.828 2.722 1.00 0.00 C ATOM 615 O LYS A 38 11.690 -24.764 2.681 1.00 0.00 O ATOM 616 CB LYS A 38 13.051 -26.979 1.547 1.00 0.00 C ATOM 617 CG LYS A 38 14.052 -28.140 1.693 1.00 0.00 C ATOM 618 CD LYS A 38 14.932 -28.325 0.446 1.00 0.00 C ATOM 619 CE LYS A 38 15.594 -27.032 -0.063 1.00 0.00 C ATOM 620 NZ LYS A 38 15.796 -27.080 -1.531 1.00 0.00 N ATOM 0 H LYS A 38 11.174 -28.181 0.676 1.00 0.00 H new ATOM 0 HA LYS A 38 12.046 -27.579 3.363 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.771 -26.880 0.498 1.00 0.00 H new ATOM 0 HB3 LYS A 38 13.540 -26.049 1.835 1.00 0.00 H new ATOM 0 HG2 LYS A 38 14.689 -27.958 2.559 1.00 0.00 H new ATOM 0 HG3 LYS A 38 13.506 -29.063 1.887 1.00 0.00 H new ATOM 0 HD2 LYS A 38 15.711 -29.053 0.671 1.00 0.00 H new ATOM 0 HD3 LYS A 38 14.323 -28.746 -0.354 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.971 -26.175 0.194 1.00 0.00 H new ATOM 0 HE3 LYS A 38 16.553 -26.890 0.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 16.726 -26.679 -1.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 15.753 -28.067 -1.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 15.051 -26.528 -2.002 1.00 0.00 H new ATOM 634 N ASN A 39 9.781 -25.880 3.048 1.00 0.00 N ATOM 635 CA ASN A 39 8.903 -24.724 3.172 1.00 0.00 C ATOM 636 C ASN A 39 9.433 -23.618 4.117 1.00 0.00 C ATOM 637 O ASN A 39 9.139 -22.444 3.918 1.00 0.00 O ATOM 638 CB ASN A 39 7.555 -25.148 3.756 1.00 0.00 C ATOM 639 CG ASN A 39 6.600 -26.112 3.085 1.00 0.00 C ATOM 640 OD1 ASN A 39 5.388 -25.629 2.911 1.00 0.00 O flip ATOM 641 ND2 ASN A 39 6.825 -27.302 2.927 1.00 0.00 N flip ATOM 0 H ASN A 39 9.304 -26.761 3.239 1.00 0.00 H new ATOM 0 HA ASN A 39 8.832 -24.326 2.160 1.00 0.00 H new ATOM 0 HB2 ASN A 39 7.769 -25.569 4.738 1.00 0.00 H new ATOM 0 HB3 ASN A 39 6.993 -24.229 3.919 1.00 0.00 H new ATOM 0 HD21 ASN A 39 7.768 -27.665 3.065 1.00 0.00 H new ATOM 0 HD22 ASN A 39 6.070 -27.932 2.657 1.00 0.00 H new ATOM 648 N ALA A 40 10.178 -23.992 5.167 1.00 0.00 N ATOM 649 CA ALA A 40 10.679 -23.127 6.250 1.00 0.00 C ATOM 650 C ALA A 40 11.652 -21.991 5.831 1.00 0.00 C ATOM 651 O ALA A 40 12.278 -21.356 6.677 1.00 0.00 O ATOM 652 CB ALA A 40 11.295 -24.038 7.323 1.00 0.00 C ATOM 0 H ALA A 40 10.465 -24.963 5.292 1.00 0.00 H new ATOM 0 HA ALA A 40 9.824 -22.569 6.631 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.677 -23.429 8.142 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.534 -24.720 7.702 1.00 0.00 H new ATOM 0 HB3 ALA A 40 12.112 -24.613 6.887 1.00 0.00 H new ATOM 658 N MET A 41 11.809 -21.745 4.527 1.00 0.00 N ATOM 659 CA MET A 41 12.486 -20.566 3.972 1.00 0.00 C ATOM 660 C MET A 41 11.611 -19.288 4.083 1.00 0.00 C ATOM 661 O MET A 41 12.105 -18.181 3.871 1.00 0.00 O ATOM 662 CB MET A 41 12.894 -20.873 2.518 1.00 0.00 C ATOM 663 CG MET A 41 13.952 -21.983 2.421 1.00 0.00 C ATOM 664 SD MET A 41 14.575 -22.341 0.747 1.00 0.00 S ATOM 665 CE MET A 41 13.059 -22.915 -0.076 1.00 0.00 C ATOM 0 H MET A 41 11.459 -22.377 3.807 1.00 0.00 H new ATOM 0 HA MET A 41 13.382 -20.355 4.555 1.00 0.00 H new ATOM 0 HB2 MET A 41 12.011 -21.168 1.952 1.00 0.00 H new ATOM 0 HB3 MET A 41 13.281 -19.966 2.054 1.00 0.00 H new ATOM 0 HG2 MET A 41 14.798 -21.709 3.052 1.00 0.00 H new ATOM 0 HG3 MET A 41 13.529 -22.899 2.834 1.00 0.00 H new ATOM 0 HE1 MET A 41 13.304 -23.288 -1.070 1.00 0.00 H new ATOM 0 HE2 MET A 41 12.607 -23.715 0.511 1.00 0.00 H new ATOM 0 HE3 MET A 41 12.356 -22.087 -0.163 1.00 0.00 H new ATOM 675 N THR A 42 10.333 -19.431 4.464 1.00 0.00 N ATOM 676 CA THR A 42 9.332 -18.383 4.760 1.00 0.00 C ATOM 677 C THR A 42 8.483 -18.707 5.998 1.00 0.00 C ATOM 678 O THR A 42 8.718 -19.701 6.677 1.00 0.00 O ATOM 679 CB THR A 42 8.407 -18.158 3.543 1.00 0.00 C ATOM 680 OG1 THR A 42 8.357 -19.261 2.663 1.00 0.00 O ATOM 681 CG2 THR A 42 8.910 -16.940 2.795 1.00 0.00 C ATOM 0 H THR A 42 9.934 -20.362 4.585 1.00 0.00 H new ATOM 0 HA THR A 42 9.891 -17.472 4.974 1.00 0.00 H new ATOM 0 HB THR A 42 7.392 -18.019 3.916 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.199 -19.320 2.165 1.00 0.00 H new ATOM 0 HG21 THR A 42 8.274 -16.757 1.929 1.00 0.00 H new ATOM 0 HG22 THR A 42 8.884 -16.072 3.454 1.00 0.00 H new ATOM 0 HG23 THR A 42 9.934 -17.114 2.464 1.00 0.00 H new ATOM 689 N GLU A 43 7.482 -17.870 6.304 1.00 0.00 N ATOM 690 CA GLU A 43 6.480 -18.100 7.368 1.00 0.00 C ATOM 691 C GLU A 43 5.587 -19.333 7.145 1.00 0.00 C ATOM 692 O GLU A 43 4.961 -19.807 8.083 1.00 0.00 O ATOM 693 CB GLU A 43 5.568 -16.864 7.534 1.00 0.00 C ATOM 694 CG GLU A 43 4.802 -16.430 6.284 1.00 0.00 C ATOM 695 CD GLU A 43 5.575 -15.350 5.525 1.00 0.00 C ATOM 696 OE1 GLU A 43 6.445 -15.755 4.715 1.00 0.00 O ATOM 697 OE2 GLU A 43 5.310 -14.161 5.786 1.00 0.00 O ATOM 0 H GLU A 43 7.338 -16.990 5.809 1.00 0.00 H new ATOM 0 HA GLU A 43 7.067 -18.283 8.268 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.847 -17.071 8.325 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.180 -16.027 7.871 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.637 -17.290 5.635 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.820 -16.051 6.566 1.00 0.00 H new ATOM 704 N THR A 44 5.494 -19.804 5.895 1.00 0.00 N ATOM 705 CA THR A 44 4.814 -21.020 5.397 1.00 0.00 C ATOM 706 C THR A 44 3.667 -21.602 6.251 1.00 0.00 C ATOM 707 O THR A 44 3.585 -22.803 6.514 1.00 0.00 O ATOM 708 CB THR A 44 5.839 -22.086 5.008 1.00 0.00 C ATOM 709 OG1 THR A 44 5.112 -23.171 4.469 1.00 0.00 O ATOM 710 CG2 THR A 44 6.697 -22.543 6.191 1.00 0.00 C ATOM 0 H THR A 44 5.934 -19.298 5.127 1.00 0.00 H new ATOM 0 HA THR A 44 4.277 -20.670 4.515 1.00 0.00 H new ATOM 0 HB THR A 44 6.540 -21.672 4.283 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.580 -23.592 5.176 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.406 -23.300 5.855 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.241 -21.690 6.597 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.055 -22.965 6.964 1.00 0.00 H new ATOM 718 N LEU A 45 2.713 -20.760 6.635 1.00 0.00 N ATOM 719 CA LEU A 45 1.654 -21.136 7.572 1.00 0.00 C ATOM 720 C LEU A 45 0.712 -22.261 7.063 1.00 0.00 C ATOM 721 O LEU A 45 -0.172 -22.676 7.806 1.00 0.00 O ATOM 722 CB LEU A 45 0.898 -19.881 8.089 1.00 0.00 C ATOM 723 CG LEU A 45 1.466 -18.474 7.797 1.00 0.00 C ATOM 724 CD1 LEU A 45 1.128 -17.997 6.381 1.00 0.00 C ATOM 725 CD2 LEU A 45 0.850 -17.441 8.746 1.00 0.00 C ATOM 0 H LEU A 45 2.650 -19.796 6.306 1.00 0.00 H new ATOM 0 HA LEU A 45 2.151 -21.594 8.427 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.112 -19.917 7.679 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.807 -19.978 9.171 1.00 0.00 H new ATOM 0 HG LEU A 45 2.546 -18.556 7.923 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.548 -17.004 6.222 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.550 -18.690 5.653 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.046 -17.957 6.259 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.261 -16.455 8.527 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.231 -17.422 8.611 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.082 -17.710 9.777 1.00 0.00 H new ATOM 737 N LEU A 46 0.855 -22.712 5.807 1.00 0.00 N ATOM 738 CA LEU A 46 0.050 -23.706 5.085 1.00 0.00 C ATOM 739 C LEU A 46 0.664 -24.075 3.714 1.00 0.00 C ATOM 740 O LEU A 46 1.541 -23.369 3.223 1.00 0.00 O ATOM 741 CB LEU A 46 -1.431 -23.243 4.985 1.00 0.00 C ATOM 742 CG LEU A 46 -1.836 -21.777 4.672 1.00 0.00 C ATOM 743 CD1 LEU A 46 -2.424 -21.060 5.884 1.00 0.00 C ATOM 744 CD2 LEU A 46 -0.772 -20.874 4.044 1.00 0.00 C ATOM 0 H LEU A 46 1.608 -22.356 5.218 1.00 0.00 H new ATOM 0 HA LEU A 46 0.059 -24.631 5.662 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.899 -23.864 4.221 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.901 -23.498 5.935 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.589 -21.930 3.899 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.690 -20.039 5.609 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.315 -21.588 6.222 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.688 -21.039 6.687 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.189 -19.881 3.879 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.085 -20.801 4.714 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.453 -21.296 3.091 1.00 0.00 H new ATOM 756 N VAL A 47 0.215 -25.177 3.084 1.00 0.00 N ATOM 757 CA VAL A 47 0.747 -25.780 1.838 1.00 0.00 C ATOM 758 C VAL A 47 -0.345 -26.385 0.951 1.00 0.00 C ATOM 759 O VAL A 47 -1.269 -27.021 1.440 1.00 0.00 O ATOM 760 CB VAL A 47 1.717 -26.934 2.140 1.00 0.00 C ATOM 761 CG1 VAL A 47 2.618 -27.178 0.928 1.00 0.00 C ATOM 762 CG2 VAL A 47 2.589 -26.609 3.339 1.00 0.00 C ATOM 0 H VAL A 47 -0.577 -25.705 3.450 1.00 0.00 H new ATOM 0 HA VAL A 47 1.240 -24.953 1.326 1.00 0.00 H new ATOM 0 HB VAL A 47 1.128 -27.824 2.360 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.305 -27.996 1.144 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.005 -27.437 0.065 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.187 -26.274 0.710 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.266 -27.441 3.532 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.169 -25.709 3.134 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.959 -26.444 4.213 1.00 0.00 H new ATOM 772 N GLN A 48 -0.234 -26.193 -0.362 1.00 0.00 N ATOM 773 CA GLN A 48 -1.209 -26.641 -1.373 1.00 0.00 C ATOM 774 C GLN A 48 -1.460 -28.158 -1.341 1.00 0.00 C ATOM 775 O GLN A 48 -2.612 -28.596 -1.322 1.00 0.00 O ATOM 776 CB GLN A 48 -0.733 -26.212 -2.765 1.00 0.00 C ATOM 777 CG GLN A 48 -0.798 -24.689 -2.931 1.00 0.00 C ATOM 778 CD GLN A 48 -0.154 -24.260 -4.241 1.00 0.00 C ATOM 779 OE1 GLN A 48 -0.797 -24.068 -5.254 1.00 0.00 O ATOM 780 NE2 GLN A 48 1.149 -24.095 -4.281 1.00 0.00 N ATOM 0 H GLN A 48 0.562 -25.705 -0.773 1.00 0.00 H new ATOM 0 HA GLN A 48 -2.161 -26.167 -1.135 1.00 0.00 H new ATOM 0 HB2 GLN A 48 0.290 -26.554 -2.923 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.350 -26.690 -3.526 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -1.837 -24.360 -2.907 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -0.291 -24.206 -2.096 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.709 -24.251 -3.443 1.00 0.00 H new ATOM 0 HE22 GLN A 48 1.601 -23.811 -5.150 1.00 0.00 H new ATOM 789 N ASN A 49 -0.387 -28.952 -1.210 1.00 0.00 N ATOM 790 CA ASN A 49 -0.384 -30.387 -0.950 1.00 0.00 C ATOM 791 C ASN A 49 -0.917 -30.764 0.454 1.00 0.00 C ATOM 792 O ASN A 49 -0.522 -31.758 1.056 1.00 0.00 O ATOM 793 CB ASN A 49 1.033 -30.891 -1.264 1.00 0.00 C ATOM 794 CG ASN A 49 1.118 -31.396 -2.683 1.00 0.00 C ATOM 795 OD1 ASN A 49 1.344 -30.654 -3.622 1.00 0.00 O ATOM 796 ND2 ASN A 49 0.904 -32.668 -2.870 1.00 0.00 N ATOM 0 H ASN A 49 0.559 -28.579 -1.289 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.096 -30.897 -1.598 1.00 0.00 H new ATOM 0 HB2 ASN A 49 1.752 -30.085 -1.116 1.00 0.00 H new ATOM 0 HB3 ASN A 49 1.302 -31.689 -0.572 1.00 0.00 H new ATOM 0 HD21 ASN A 49 0.924 -33.055 -3.813 1.00 0.00 H new ATOM 0 HD22 ASN A 49 0.716 -33.276 -2.073 1.00 0.00 H new ATOM 803 N ALA A 50 -1.822 -29.958 1.007 1.00 0.00 N ATOM 804 CA ALA A 50 -2.605 -30.288 2.183 1.00 0.00 C ATOM 805 C ALA A 50 -3.688 -31.351 1.884 1.00 0.00 C ATOM 806 O ALA A 50 -4.207 -31.968 2.811 1.00 0.00 O ATOM 807 CB ALA A 50 -3.226 -28.996 2.713 1.00 0.00 C ATOM 0 H ALA A 50 -2.032 -29.032 0.634 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.954 -30.731 2.937 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.822 -29.215 3.599 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.435 -28.292 2.972 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.865 -28.558 1.946 1.00 0.00 H new ATOM 813 N ASN A 51 -3.983 -31.593 0.602 1.00 0.00 N ATOM 814 CA ASN A 51 -4.836 -32.669 0.072 1.00 0.00 C ATOM 815 C ASN A 51 -6.235 -32.596 0.739 1.00 0.00 C ATOM 816 O ASN A 51 -6.720 -31.473 0.931 1.00 0.00 O ATOM 817 CB ASN A 51 -4.030 -33.991 0.161 1.00 0.00 C ATOM 818 CG ASN A 51 -2.645 -33.883 -0.451 1.00 0.00 C ATOM 819 OD1 ASN A 51 -2.433 -33.179 -1.429 1.00 0.00 O ATOM 820 ND2 ASN A 51 -1.669 -34.531 0.133 1.00 0.00 N ATOM 0 H ASN A 51 -3.609 -31.006 -0.144 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.083 -32.576 -0.986 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.937 -34.284 1.207 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.584 -34.783 -0.344 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -0.718 -34.452 -0.227 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.860 -35.114 0.948 1.00 0.00 H new ATOM 827 N PRO A 52 -6.991 -33.680 0.978 1.00 0.00 N ATOM 828 CA PRO A 52 -8.145 -33.604 1.878 1.00 0.00 C ATOM 829 C PRO A 52 -7.695 -33.455 3.345 1.00 0.00 C ATOM 830 O PRO A 52 -8.159 -32.568 4.063 1.00 0.00 O ATOM 831 CB PRO A 52 -8.916 -34.922 1.676 1.00 0.00 C ATOM 832 CG PRO A 52 -8.392 -35.468 0.349 1.00 0.00 C ATOM 833 CD PRO A 52 -6.961 -34.958 0.293 1.00 0.00 C ATOM 0 HA PRO A 52 -8.765 -32.735 1.657 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.732 -35.619 2.493 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.992 -34.751 1.639 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.431 -36.557 0.320 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -8.980 -35.105 -0.494 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.276 -35.651 0.781 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.622 -34.846 -0.737 1.00 0.00 H new ATOM 841 N ASP A 53 -6.758 -34.312 3.748 1.00 0.00 N ATOM 842 CA ASP A 53 -6.348 -34.605 5.122 1.00 0.00 C ATOM 843 C ASP A 53 -5.756 -33.428 5.903 1.00 0.00 C ATOM 844 O ASP A 53 -6.364 -33.030 6.893 1.00 0.00 O ATOM 845 CB ASP A 53 -5.407 -35.822 5.118 1.00 0.00 C ATOM 846 CG ASP A 53 -5.981 -36.988 4.303 1.00 0.00 C ATOM 847 OD1 ASP A 53 -6.020 -36.836 3.059 1.00 0.00 O ATOM 848 OD2 ASP A 53 -6.447 -37.976 4.908 1.00 0.00 O ATOM 0 H ASP A 53 -6.226 -34.861 3.073 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.262 -34.831 5.671 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.441 -35.532 4.705 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.231 -36.148 6.143 1.00 0.00 H new ATOM 853 N CYS A 54 -4.633 -32.814 5.488 1.00 0.00 N ATOM 854 CA CYS A 54 -4.040 -31.715 6.277 1.00 0.00 C ATOM 855 C CYS A 54 -5.065 -30.592 6.435 1.00 0.00 C ATOM 856 O CYS A 54 -5.404 -30.192 7.545 1.00 0.00 O ATOM 857 CB CYS A 54 -2.695 -31.270 5.664 1.00 0.00 C ATOM 858 SG CYS A 54 -2.231 -29.520 5.788 1.00 0.00 S ATOM 0 H CYS A 54 -4.128 -33.050 4.634 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.796 -32.054 7.284 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -1.905 -31.857 6.133 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.707 -31.537 4.607 1.00 0.00 H new ATOM 0 HG CYS A 54 -1.455 -29.349 6.817 1.00 0.00 H new ATOM 864 N LYS A 55 -5.695 -30.185 5.338 1.00 0.00 N ATOM 865 CA LYS A 55 -6.770 -29.187 5.344 1.00 0.00 C ATOM 866 C LYS A 55 -7.858 -29.480 6.373 1.00 0.00 C ATOM 867 O LYS A 55 -8.124 -28.624 7.210 1.00 0.00 O ATOM 868 CB LYS A 55 -7.363 -29.121 3.941 1.00 0.00 C ATOM 869 CG LYS A 55 -6.687 -28.009 3.115 1.00 0.00 C ATOM 870 CD LYS A 55 -6.498 -28.333 1.627 1.00 0.00 C ATOM 871 CE LYS A 55 -7.807 -28.584 0.873 1.00 0.00 C ATOM 872 NZ LYS A 55 -7.535 -29.215 -0.440 1.00 0.00 N ATOM 0 H LYS A 55 -5.475 -30.540 4.407 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.343 -28.227 5.633 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.235 -30.081 3.441 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.435 -28.934 4.002 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.282 -27.100 3.201 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.712 -27.794 3.552 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.969 -27.508 1.150 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.863 -29.214 1.535 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.457 -29.228 1.465 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.337 -27.642 0.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.410 -29.240 -1.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.814 -28.664 -0.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.190 -30.185 -0.294 1.00 0.00 H new ATOM 886 N THR A 56 -8.456 -30.673 6.337 1.00 0.00 N ATOM 887 CA THR A 56 -9.523 -31.042 7.274 1.00 0.00 C ATOM 888 C THR A 56 -9.044 -31.271 8.714 1.00 0.00 C ATOM 889 O THR A 56 -9.882 -31.325 9.613 1.00 0.00 O ATOM 890 CB THR A 56 -10.375 -32.208 6.751 1.00 0.00 C ATOM 891 OG1 THR A 56 -11.624 -32.147 7.393 1.00 0.00 O ATOM 892 CG2 THR A 56 -9.802 -33.607 6.964 1.00 0.00 C ATOM 0 H THR A 56 -8.219 -31.404 5.666 1.00 0.00 H new ATOM 0 HA THR A 56 -10.169 -30.166 7.329 1.00 0.00 H new ATOM 0 HB THR A 56 -10.423 -32.077 5.670 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.495 -31.927 8.339 1.00 0.00 H new ATOM 0 HG21 THR A 56 -10.489 -34.348 6.555 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.839 -33.687 6.459 1.00 0.00 H new ATOM 0 HG23 THR A 56 -9.668 -33.787 8.031 1.00 0.00 H new ATOM 900 N ILE A 57 -7.728 -31.358 8.946 1.00 0.00 N ATOM 901 CA ILE A 57 -7.138 -31.550 10.292 1.00 0.00 C ATOM 902 C ILE A 57 -6.672 -30.225 10.906 1.00 0.00 C ATOM 903 O ILE A 57 -7.216 -29.796 11.927 1.00 0.00 O ATOM 904 CB ILE A 57 -5.993 -32.585 10.229 1.00 0.00 C ATOM 905 CG1 ILE A 57 -6.570 -33.988 9.934 1.00 0.00 C ATOM 906 CG2 ILE A 57 -5.148 -32.631 11.522 1.00 0.00 C ATOM 907 CD1 ILE A 57 -5.510 -34.923 9.353 1.00 0.00 C ATOM 0 H ILE A 57 -7.031 -31.298 8.204 1.00 0.00 H new ATOM 0 HA ILE A 57 -7.915 -31.939 10.950 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.328 -32.271 9.424 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.970 -34.417 10.852 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.401 -33.900 9.234 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.360 -33.377 11.416 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.700 -31.653 11.699 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -5.787 -32.896 12.365 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.953 -35.900 9.159 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.128 -34.506 8.421 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.691 -35.031 10.064 1.00 0.00 H new ATOM 919 N LEU A 58 -5.697 -29.533 10.297 1.00 0.00 N ATOM 920 CA LEU A 58 -5.193 -28.251 10.782 1.00 0.00 C ATOM 921 C LEU A 58 -6.280 -27.182 10.843 1.00 0.00 C ATOM 922 O LEU A 58 -6.147 -26.262 11.650 1.00 0.00 O ATOM 923 CB LEU A 58 -3.979 -27.781 9.986 1.00 0.00 C ATOM 924 CG LEU A 58 -2.810 -28.782 10.040 1.00 0.00 C ATOM 925 CD1 LEU A 58 -2.944 -29.906 9.031 1.00 0.00 C ATOM 926 CD2 LEU A 58 -1.528 -28.024 9.722 1.00 0.00 C ATOM 0 H LEU A 58 -5.236 -29.856 9.446 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.863 -28.416 11.808 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.269 -27.623 8.947 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.646 -26.818 10.374 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.804 -29.227 11.035 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.090 -30.578 9.119 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.863 -30.460 9.224 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.976 -29.489 8.024 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.682 -28.711 9.753 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.602 -27.585 8.727 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.381 -27.233 10.458 1.00 0.00 H new ATOM 938 N LYS A 59 -7.382 -27.388 10.100 1.00 0.00 N ATOM 939 CA LYS A 59 -8.669 -26.675 10.251 1.00 0.00 C ATOM 940 C LYS A 59 -8.932 -26.302 11.711 1.00 0.00 C ATOM 941 O LYS A 59 -9.149 -25.134 12.021 1.00 0.00 O ATOM 942 CB LYS A 59 -9.813 -27.560 9.731 1.00 0.00 C ATOM 943 CG LYS A 59 -10.382 -27.119 8.373 1.00 0.00 C ATOM 944 CD LYS A 59 -11.738 -26.413 8.488 1.00 0.00 C ATOM 945 CE LYS A 59 -12.843 -27.362 8.984 1.00 0.00 C ATOM 946 NZ LYS A 59 -13.637 -26.746 10.071 1.00 0.00 N ATOM 0 H LYS A 59 -7.405 -28.079 9.351 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.617 -25.754 9.670 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.454 -28.586 9.646 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.618 -27.563 10.466 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.671 -26.450 7.888 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.488 -27.992 7.729 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.650 -25.570 9.173 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.019 -26.007 7.516 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.500 -27.623 8.154 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.395 -28.290 9.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.463 -27.343 10.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.049 -26.660 10.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.958 -25.802 9.775 1.00 0.00 H new ATOM 960 N ALA A 60 -8.756 -27.287 12.591 1.00 0.00 N ATOM 961 CA ALA A 60 -8.727 -27.112 14.041 1.00 0.00 C ATOM 962 C ALA A 60 -7.294 -27.143 14.625 1.00 0.00 C ATOM 963 O ALA A 60 -7.000 -26.437 15.596 1.00 0.00 O ATOM 964 CB ALA A 60 -9.583 -28.233 14.646 1.00 0.00 C ATOM 0 H ALA A 60 -8.626 -28.257 12.305 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.121 -26.127 14.291 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -9.589 -28.140 15.732 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -10.603 -28.156 14.269 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -9.166 -29.200 14.367 1.00 0.00 H new ATOM 970 N LEU A 61 -6.381 -27.922 14.028 1.00 0.00 N ATOM 971 CA LEU A 61 -5.048 -28.262 14.556 1.00 0.00 C ATOM 972 C LEU A 61 -3.967 -27.209 14.243 1.00 0.00 C ATOM 973 O LEU A 61 -2.848 -27.513 13.833 1.00 0.00 O ATOM 974 CB LEU A 61 -4.661 -29.706 14.159 1.00 0.00 C ATOM 975 CG LEU A 61 -3.934 -30.445 15.300 1.00 0.00 C ATOM 976 CD1 LEU A 61 -4.875 -30.840 16.444 1.00 0.00 C ATOM 977 CD2 LEU A 61 -3.287 -31.733 14.791 1.00 0.00 C ATOM 0 H LEU A 61 -6.558 -28.354 13.121 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.110 -28.236 15.644 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.559 -30.259 13.884 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.020 -29.680 13.278 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.186 -29.744 15.669 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.309 -31.357 17.219 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.332 -29.944 16.865 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.654 -31.500 16.063 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.780 -32.236 15.615 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.055 -32.389 14.383 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.563 -31.493 14.012 1.00 0.00 H new ATOM 989 N GLY A 62 -4.295 -25.950 14.525 1.00 0.00 N ATOM 990 CA GLY A 62 -3.372 -24.815 14.517 1.00 0.00 C ATOM 991 C GLY A 62 -3.025 -24.343 15.939 1.00 0.00 C ATOM 992 O GLY A 62 -3.534 -23.298 16.353 1.00 0.00 O ATOM 0 H GLY A 62 -5.247 -25.681 14.775 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.457 -25.096 13.995 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.817 -23.990 13.960 1.00 0.00 H new ATOM 996 N PRO A 63 -2.235 -25.090 16.739 1.00 0.00 N ATOM 997 CA PRO A 63 -1.755 -24.663 18.059 1.00 0.00 C ATOM 998 C PRO A 63 -0.449 -23.843 18.013 1.00 0.00 C ATOM 999 O PRO A 63 0.290 -23.818 18.987 1.00 0.00 O ATOM 1000 CB PRO A 63 -1.574 -25.982 18.824 1.00 0.00 C ATOM 1001 CG PRO A 63 -1.005 -26.891 17.736 1.00 0.00 C ATOM 1002 CD PRO A 63 -1.823 -26.472 16.515 1.00 0.00 C ATOM 0 HA PRO A 63 -2.459 -23.980 18.535 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.892 -25.876 19.668 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -2.517 -26.358 19.221 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.063 -26.730 17.587 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.138 -27.946 17.974 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.230 -26.556 15.605 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.691 -27.119 16.390 1.00 0.00 H new ATOM 1010 N ALA A 64 -0.151 -23.226 16.868 1.00 0.00 N ATOM 1011 CA ALA A 64 1.094 -22.484 16.580 1.00 0.00 C ATOM 1012 C ALA A 64 2.415 -23.201 16.985 1.00 0.00 C ATOM 1013 O ALA A 64 3.380 -22.561 17.396 1.00 0.00 O ATOM 1014 CB ALA A 64 0.951 -21.071 17.168 1.00 0.00 C ATOM 0 H ALA A 64 -0.794 -23.225 16.076 1.00 0.00 H new ATOM 0 HA ALA A 64 1.206 -22.428 15.497 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.858 -20.501 16.969 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.099 -20.570 16.708 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.794 -21.139 18.244 1.00 0.00 H new ATOM 1020 N ALA A 65 2.432 -24.541 16.917 1.00 0.00 N ATOM 1021 CA ALA A 65 3.602 -25.377 17.224 1.00 0.00 C ATOM 1022 C ALA A 65 3.583 -26.717 16.468 1.00 0.00 C ATOM 1023 O ALA A 65 4.405 -26.949 15.593 1.00 0.00 O ATOM 1024 CB ALA A 65 3.658 -25.597 18.744 1.00 0.00 C ATOM 0 H ALA A 65 1.615 -25.085 16.641 1.00 0.00 H new ATOM 0 HA ALA A 65 4.500 -24.859 16.888 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.521 -26.216 18.991 1.00 0.00 H new ATOM 0 HB2 ALA A 65 3.746 -24.635 19.248 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.747 -26.097 19.073 1.00 0.00 H new ATOM 1030 N THR A 66 2.602 -27.597 16.699 1.00 0.00 N ATOM 1031 CA THR A 66 2.485 -28.828 15.885 1.00 0.00 C ATOM 1032 C THR A 66 2.191 -28.541 14.408 1.00 0.00 C ATOM 1033 O THR A 66 2.406 -29.383 13.551 1.00 0.00 O ATOM 1034 CB THR A 66 1.405 -29.789 16.404 1.00 0.00 C ATOM 1035 OG1 THR A 66 1.179 -29.632 17.790 1.00 0.00 O ATOM 1036 CG2 THR A 66 1.825 -31.237 16.157 1.00 0.00 C ATOM 0 H THR A 66 1.891 -27.492 17.422 1.00 0.00 H new ATOM 0 HA THR A 66 3.464 -29.299 15.976 1.00 0.00 H new ATOM 0 HB THR A 66 0.488 -29.552 15.864 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.485 -30.259 18.081 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.051 -31.909 16.529 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.962 -31.399 15.088 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.761 -31.438 16.678 1.00 0.00 H new ATOM 1044 N LEU A 67 1.698 -27.345 14.078 1.00 0.00 N ATOM 1045 CA LEU A 67 1.459 -26.941 12.691 1.00 0.00 C ATOM 1046 C LEU A 67 2.713 -27.121 11.839 1.00 0.00 C ATOM 1047 O LEU A 67 2.634 -27.662 10.743 1.00 0.00 O ATOM 1048 CB LEU A 67 1.007 -25.484 12.703 1.00 0.00 C ATOM 1049 CG LEU A 67 0.450 -24.838 11.406 1.00 0.00 C ATOM 1050 CD1 LEU A 67 0.779 -23.346 11.403 1.00 0.00 C ATOM 1051 CD2 LEU A 67 0.994 -25.414 10.113 1.00 0.00 C ATOM 0 H LEU A 67 1.454 -26.631 14.764 1.00 0.00 H new ATOM 0 HA LEU A 67 0.688 -27.570 12.246 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.238 -25.388 13.470 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.857 -24.883 13.027 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.620 -25.045 11.428 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.389 -22.889 10.493 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.323 -22.871 12.272 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.860 -23.212 11.442 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.544 -24.896 9.266 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.076 -25.285 10.084 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.754 -26.476 10.058 1.00 0.00 H new ATOM 1063 N GLU A 68 3.867 -26.716 12.349 1.00 0.00 N ATOM 1064 CA GLU A 68 5.090 -26.662 11.553 1.00 0.00 C ATOM 1065 C GLU A 68 5.492 -28.030 10.966 1.00 0.00 C ATOM 1066 O GLU A 68 6.180 -28.078 9.948 1.00 0.00 O ATOM 1067 CB GLU A 68 6.228 -26.084 12.408 1.00 0.00 C ATOM 1068 CG GLU A 68 5.809 -24.969 13.374 1.00 0.00 C ATOM 1069 CD GLU A 68 5.160 -23.746 12.733 1.00 0.00 C ATOM 1070 OE1 GLU A 68 5.887 -22.962 12.090 1.00 0.00 O ATOM 1071 OE2 GLU A 68 3.926 -23.624 12.912 1.00 0.00 O ATOM 0 H GLU A 68 3.985 -26.417 13.317 1.00 0.00 H new ATOM 0 HA GLU A 68 4.896 -26.013 10.699 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.677 -26.893 12.984 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.001 -25.698 11.744 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.113 -25.387 14.102 1.00 0.00 H new ATOM 0 HG3 GLU A 68 6.690 -24.642 13.926 1.00 0.00 H new ATOM 1078 N GLU A 69 5.049 -29.150 11.567 1.00 0.00 N ATOM 1079 CA GLU A 69 5.149 -30.464 10.900 1.00 0.00 C ATOM 1080 C GLU A 69 3.940 -30.718 9.984 1.00 0.00 C ATOM 1081 O GLU A 69 4.080 -31.201 8.858 1.00 0.00 O ATOM 1082 CB GLU A 69 5.318 -31.623 11.905 1.00 0.00 C ATOM 1083 CG GLU A 69 4.086 -31.970 12.753 1.00 0.00 C ATOM 1084 CD GLU A 69 4.263 -33.252 13.568 1.00 0.00 C ATOM 1085 OE1 GLU A 69 3.902 -34.323 13.027 1.00 0.00 O ATOM 1086 OE2 GLU A 69 4.719 -33.142 14.728 1.00 0.00 O ATOM 0 H GLU A 69 4.626 -29.175 12.495 1.00 0.00 H new ATOM 0 HA GLU A 69 6.049 -30.432 10.286 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.616 -32.514 11.353 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.139 -31.376 12.578 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.873 -31.142 13.430 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.221 -32.078 12.099 1.00 0.00 H new ATOM 1093 N MET A 70 2.740 -30.352 10.446 1.00 0.00 N ATOM 1094 CA MET A 70 1.464 -30.701 9.819 1.00 0.00 C ATOM 1095 C MET A 70 1.270 -30.047 8.443 1.00 0.00 C ATOM 1096 O MET A 70 0.641 -30.622 7.548 1.00 0.00 O ATOM 1097 CB MET A 70 0.352 -30.291 10.764 1.00 0.00 C ATOM 1098 CG MET A 70 0.333 -30.968 12.106 1.00 0.00 C ATOM 1099 SD MET A 70 -0.612 -32.515 12.164 1.00 0.00 S ATOM 1100 CE MET A 70 0.749 -33.718 12.166 1.00 0.00 C ATOM 0 H MET A 70 2.628 -29.790 11.289 1.00 0.00 H new ATOM 0 HA MET A 70 1.451 -31.776 9.640 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.419 -29.215 10.925 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.602 -30.481 10.272 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.360 -31.174 12.408 1.00 0.00 H new ATOM 0 HG3 MET A 70 -0.082 -30.277 12.840 1.00 0.00 H new ATOM 0 HE1 MET A 70 0.341 -34.728 12.200 1.00 0.00 H new ATOM 0 HE2 MET A 70 1.343 -33.596 11.260 1.00 0.00 H new ATOM 0 HE3 MET A 70 1.380 -33.552 13.039 1.00 0.00 H new ATOM 1110 N MET A 71 1.872 -28.862 8.298 1.00 0.00 N ATOM 1111 CA MET A 71 2.055 -28.041 7.093 1.00 0.00 C ATOM 1112 C MET A 71 2.269 -28.934 5.876 1.00 0.00 C ATOM 1113 O MET A 71 1.453 -28.935 4.951 1.00 0.00 O ATOM 1114 CB MET A 71 3.260 -27.113 7.374 1.00 0.00 C ATOM 1115 CG MET A 71 3.956 -26.369 6.213 1.00 0.00 C ATOM 1116 SD MET A 71 5.475 -25.562 6.769 1.00 0.00 S ATOM 1117 CE MET A 71 6.624 -26.947 6.986 1.00 0.00 C ATOM 0 H MET A 71 2.288 -28.404 9.109 1.00 0.00 H new ATOM 0 HA MET A 71 1.175 -27.438 6.868 1.00 0.00 H new ATOM 0 HB2 MET A 71 2.928 -26.359 8.088 1.00 0.00 H new ATOM 0 HB3 MET A 71 4.020 -27.713 7.875 1.00 0.00 H new ATOM 0 HG2 MET A 71 4.187 -27.073 5.413 1.00 0.00 H new ATOM 0 HG3 MET A 71 3.277 -25.625 5.796 1.00 0.00 H new ATOM 0 HE1 MET A 71 7.468 -26.627 7.598 1.00 0.00 H new ATOM 0 HE2 MET A 71 6.110 -27.772 7.479 1.00 0.00 H new ATOM 0 HE3 MET A 71 6.986 -27.275 6.012 1.00 0.00 H new ATOM 1127 N THR A 72 3.300 -29.778 5.946 1.00 0.00 N ATOM 1128 CA THR A 72 3.714 -30.651 4.851 1.00 0.00 C ATOM 1129 C THR A 72 3.674 -32.133 5.194 1.00 0.00 C ATOM 1130 O THR A 72 3.785 -32.930 4.269 1.00 0.00 O ATOM 1131 CB THR A 72 5.121 -30.333 4.314 1.00 0.00 C ATOM 1132 OG1 THR A 72 5.682 -29.155 4.845 1.00 0.00 O ATOM 1133 CG2 THR A 72 5.123 -30.124 2.805 1.00 0.00 C ATOM 0 H THR A 72 3.879 -29.874 6.780 1.00 0.00 H new ATOM 0 HA THR A 72 2.971 -30.443 4.081 1.00 0.00 H new ATOM 0 HB THR A 72 5.705 -31.203 4.614 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.649 -29.153 4.686 1.00 0.00 H new ATOM 0 HG21 THR A 72 6.136 -29.902 2.470 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.768 -31.029 2.312 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.467 -29.291 2.552 1.00 0.00 H new ATOM 1141 N ALA A 73 3.455 -32.567 6.442 1.00 0.00 N ATOM 1142 CA ALA A 73 3.412 -34.001 6.780 1.00 0.00 C ATOM 1143 C ALA A 73 2.436 -34.806 5.896 1.00 0.00 C ATOM 1144 O ALA A 73 2.675 -35.974 5.608 1.00 0.00 O ATOM 1145 CB ALA A 73 3.071 -34.170 8.266 1.00 0.00 C ATOM 0 H ALA A 73 3.304 -31.947 7.238 1.00 0.00 H new ATOM 0 HA ALA A 73 4.402 -34.410 6.580 1.00 0.00 H new ATOM 0 HB1 ALA A 73 3.040 -35.231 8.514 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.832 -33.678 8.872 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.099 -33.721 8.470 1.00 0.00 H new ATOM 1151 N CYS A 74 1.379 -34.152 5.408 1.00 0.00 N ATOM 1152 CA CYS A 74 0.361 -34.742 4.520 1.00 0.00 C ATOM 1153 C CYS A 74 0.826 -34.966 3.062 1.00 0.00 C ATOM 1154 O CYS A 74 0.326 -35.861 2.382 1.00 0.00 O ATOM 1155 CB CYS A 74 -0.847 -33.797 4.552 1.00 0.00 C ATOM 1156 SG CYS A 74 -2.206 -34.438 3.536 1.00 0.00 S ATOM 0 H CYS A 74 1.198 -33.171 5.622 1.00 0.00 H new ATOM 0 HA CYS A 74 0.127 -35.742 4.886 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -1.186 -33.670 5.580 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -0.552 -32.812 4.190 1.00 0.00 H new ATOM 0 HG CYS A 74 -2.995 -33.461 3.201 1.00 0.00 H new ATOM 1162 N GLN A 75 1.816 -34.187 2.610 1.00 0.00 N ATOM 1163 CA GLN A 75 2.302 -33.993 1.232 1.00 0.00 C ATOM 1164 C GLN A 75 1.809 -34.955 0.143 1.00 0.00 C ATOM 1165 O GLN A 75 1.056 -34.538 -0.738 1.00 0.00 O ATOM 1166 CB GLN A 75 3.832 -33.850 1.237 1.00 0.00 C ATOM 1167 CG GLN A 75 4.614 -34.948 1.989 1.00 0.00 C ATOM 1168 CD GLN A 75 5.961 -34.450 2.504 1.00 0.00 C ATOM 1169 OE1 GLN A 75 6.556 -33.515 2.003 1.00 0.00 O ATOM 1170 NE2 GLN A 75 6.497 -35.060 3.540 1.00 0.00 N ATOM 0 H GLN A 75 2.353 -33.618 3.264 1.00 0.00 H new ATOM 0 HA GLN A 75 1.823 -33.067 0.914 1.00 0.00 H new ATOM 0 HB2 GLN A 75 4.178 -33.829 0.204 1.00 0.00 H new ATOM 0 HB3 GLN A 75 4.085 -32.886 1.678 1.00 0.00 H new ATOM 0 HG2 GLN A 75 4.017 -35.307 2.828 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.773 -35.797 1.325 1.00 0.00 H new ATOM 0 HE21 GLN A 75 6.014 -35.846 3.975 1.00 0.00 H new ATOM 0 HE22 GLN A 75 7.395 -34.746 3.908 1.00 0.00 H new