USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 684 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 43 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 78 TYR OH : rot -104:sc= 0.021 USER MOD Single : A 12 GLN : amide:sc= -0.0169 K(o=-0.017,f=-1.9) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 180:sc= -2.32 USER MOD Single : A 33 SER OG : rot -23:sc= 0.253 USER MOD Single : A 34 SER OG : rot 9:sc= 1.11 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.253 X(o=-0.25,f=-0.25) USER MOD Single : A 46 ASN : amide:sc= -1.45! C(o=-1.4!,f=-4.6!) USER MOD Single : A 53 LYS NZ :NH3+ -122:sc= -0.352 (180deg=-2.05!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -6.27! C(o=-6.3!,f=-19!) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.161 K(o=-0.16,f=-2.6!) USER MOD Single : A 73 GLN : amide:sc= -0.57 X(o=-0.57,f=-0.8) USER MOD Single : A 75 SER OG : rot 94:sc= 0.617 USER MOD Single : A 79 SER OG : rot 180:sc= -0.577 USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -21:sc= -0.239 USER MOD Single : A 85 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.014) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot -110:sc= -1.02! USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N VAL A 9 18.515 -4.134 2.393 1.00 0.00 N ATOM 81 CA VAL A 9 17.430 -3.159 2.374 1.00 0.00 C ATOM 82 C VAL A 9 16.219 -3.669 3.147 1.00 0.00 C ATOM 83 O VAL A 9 15.086 -3.578 2.675 1.00 0.00 O ATOM 84 CB VAL A 9 17.003 -2.823 0.933 1.00 0.00 C ATOM 85 CG1 VAL A 9 18.212 -2.446 0.091 1.00 0.00 C ATOM 86 CG2 VAL A 9 16.255 -3.994 0.313 1.00 0.00 C ATOM 0 HA VAL A 9 17.808 -2.255 2.853 1.00 0.00 H new ATOM 0 HB VAL A 9 16.330 -1.966 0.962 1.00 0.00 H new ATOM 0 HG11 VAL A 9 17.890 -2.212 -0.924 1.00 0.00 H new ATOM 0 HG12 VAL A 9 18.701 -1.575 0.526 1.00 0.00 H new ATOM 0 HG13 VAL A 9 18.913 -3.281 0.066 1.00 0.00 H new ATOM 0 HG21 VAL A 9 15.961 -3.740 -0.705 1.00 0.00 H new ATOM 0 HG22 VAL A 9 16.902 -4.871 0.295 1.00 0.00 H new ATOM 0 HG23 VAL A 9 15.366 -4.212 0.904 1.00 0.00 H new ATOM 96 N ARG A 10 16.466 -4.206 4.337 1.00 0.00 N ATOM 97 CA ARG A 10 15.396 -4.732 5.175 1.00 0.00 C ATOM 98 C ARG A 10 14.242 -3.738 5.270 1.00 0.00 C ATOM 99 O ARG A 10 14.348 -2.602 4.808 1.00 0.00 O ATOM 100 CB ARG A 10 15.925 -5.051 6.575 1.00 0.00 C ATOM 101 CG ARG A 10 16.469 -6.463 6.713 1.00 0.00 C ATOM 102 CD ARG A 10 17.511 -6.553 7.817 1.00 0.00 C ATOM 103 NE ARG A 10 16.901 -6.575 9.144 1.00 0.00 N ATOM 104 CZ ARG A 10 17.598 -6.527 10.274 1.00 0.00 C ATOM 105 NH1 ARG A 10 18.922 -6.455 10.238 1.00 0.00 N ATOM 106 NH2 ARG A 10 16.972 -6.551 11.444 1.00 0.00 N ATOM 0 H ARG A 10 17.398 -4.288 4.743 1.00 0.00 H new ATOM 0 HA ARG A 10 15.027 -5.649 4.716 1.00 0.00 H new ATOM 0 HB2 ARG A 10 16.713 -4.341 6.827 1.00 0.00 H new ATOM 0 HB3 ARG A 10 15.123 -4.907 7.299 1.00 0.00 H new ATOM 0 HG2 ARG A 10 15.650 -7.150 6.927 1.00 0.00 H new ATOM 0 HG3 ARG A 10 16.911 -6.778 5.768 1.00 0.00 H new ATOM 0 HD2 ARG A 10 18.110 -7.453 7.678 1.00 0.00 H new ATOM 0 HD3 ARG A 10 18.191 -5.704 7.744 1.00 0.00 H new ATOM 0 HE ARG A 10 15.884 -6.630 9.207 1.00 0.00 H new ATOM 0 HH11 ARG A 10 19.408 -6.436 9.341 1.00 0.00 H new ATOM 0 HH12 ARG A 10 19.455 -6.418 11.107 1.00 0.00 H new ATOM 0 HH21 ARG A 10 15.954 -6.606 11.477 1.00 0.00 H new ATOM 0 HH22 ARG A 10 17.509 -6.514 12.310 1.00 0.00 H new ATOM 120 N PHE A 11 13.140 -4.174 5.872 1.00 0.00 N ATOM 121 CA PHE A 11 11.965 -3.324 6.026 1.00 0.00 C ATOM 122 C PHE A 11 12.041 -2.522 7.322 1.00 0.00 C ATOM 123 O PHE A 11 11.299 -2.784 8.269 1.00 0.00 O ATOM 124 CB PHE A 11 10.691 -4.171 6.010 1.00 0.00 C ATOM 125 CG PHE A 11 10.114 -4.359 4.636 1.00 0.00 C ATOM 126 CD1 PHE A 11 9.513 -3.302 3.972 1.00 0.00 C ATOM 127 CD2 PHE A 11 10.173 -5.593 4.009 1.00 0.00 C ATOM 128 CE1 PHE A 11 8.981 -3.473 2.708 1.00 0.00 C ATOM 129 CE2 PHE A 11 9.642 -5.770 2.745 1.00 0.00 C ATOM 130 CZ PHE A 11 9.046 -4.708 2.093 1.00 0.00 C ATOM 0 H PHE A 11 13.036 -5.111 6.261 1.00 0.00 H new ATOM 0 HA PHE A 11 11.939 -2.626 5.189 1.00 0.00 H new ATOM 0 HB2 PHE A 11 10.908 -5.148 6.441 1.00 0.00 H new ATOM 0 HB3 PHE A 11 9.943 -3.700 6.648 1.00 0.00 H new ATOM 0 HD1 PHE A 11 9.460 -2.334 4.447 1.00 0.00 H new ATOM 0 HD2 PHE A 11 10.639 -6.426 4.514 1.00 0.00 H new ATOM 0 HE1 PHE A 11 8.515 -2.641 2.201 1.00 0.00 H new ATOM 0 HE2 PHE A 11 9.693 -6.738 2.268 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.632 -4.843 1.105 1.00 0.00 H new ATOM 140 N GLN A 12 12.942 -1.546 7.356 1.00 0.00 N ATOM 141 CA GLN A 12 13.115 -0.707 8.536 1.00 0.00 C ATOM 142 C GLN A 12 11.767 -0.243 9.076 1.00 0.00 C ATOM 143 O GLN A 12 11.469 -0.416 10.258 1.00 0.00 O ATOM 144 CB GLN A 12 13.988 0.504 8.203 1.00 0.00 C ATOM 145 CG GLN A 12 14.586 1.178 9.427 1.00 0.00 C ATOM 146 CD GLN A 12 15.813 0.457 9.950 1.00 0.00 C ATOM 147 OE1 GLN A 12 16.044 -0.710 9.631 1.00 0.00 O ATOM 148 NE2 GLN A 12 16.608 1.149 10.757 1.00 0.00 N ATOM 0 H GLN A 12 13.563 -1.317 6.580 1.00 0.00 H new ATOM 0 HA GLN A 12 13.609 -1.302 9.304 1.00 0.00 H new ATOM 0 HB2 GLN A 12 14.795 0.189 7.542 1.00 0.00 H new ATOM 0 HB3 GLN A 12 13.391 1.232 7.653 1.00 0.00 H new ATOM 0 HG2 GLN A 12 14.852 2.205 9.178 1.00 0.00 H new ATOM 0 HG3 GLN A 12 13.834 1.225 10.215 1.00 0.00 H new ATOM 0 HE21 GLN A 12 16.378 2.114 10.995 1.00 0.00 H new ATOM 0 HE22 GLN A 12 17.449 0.716 11.139 1.00 0.00 H new ATOM 157 N GLU A 13 10.955 0.346 8.204 1.00 0.00 N ATOM 158 CA GLU A 13 9.639 0.836 8.595 1.00 0.00 C ATOM 159 C GLU A 13 8.560 0.309 7.654 1.00 0.00 C ATOM 160 O GLU A 13 7.861 1.081 7.000 1.00 0.00 O ATOM 161 CB GLU A 13 9.621 2.366 8.603 1.00 0.00 C ATOM 162 CG GLU A 13 8.582 2.958 9.541 1.00 0.00 C ATOM 163 CD GLU A 13 7.171 2.524 9.196 1.00 0.00 C ATOM 164 OE1 GLU A 13 6.739 1.460 9.688 1.00 0.00 O ATOM 165 OE2 GLU A 13 6.497 3.248 8.433 1.00 0.00 O ATOM 0 H GLU A 13 11.186 0.495 7.222 1.00 0.00 H new ATOM 0 HA GLU A 13 9.429 0.472 9.601 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.607 2.731 8.890 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.431 2.724 7.591 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.810 2.660 10.564 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.643 4.046 9.505 1.00 0.00 H new ATOM 172 N ALA A 14 8.432 -1.013 7.591 1.00 0.00 N ATOM 173 CA ALA A 14 7.438 -1.644 6.732 1.00 0.00 C ATOM 174 C ALA A 14 6.050 -1.064 6.980 1.00 0.00 C ATOM 175 O ALA A 14 5.845 -0.299 7.923 1.00 0.00 O ATOM 176 CB ALA A 14 7.431 -3.150 6.951 1.00 0.00 C ATOM 0 H ALA A 14 9.004 -1.667 8.125 1.00 0.00 H new ATOM 0 HA ALA A 14 7.707 -1.440 5.696 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.684 -3.608 6.303 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.414 -3.557 6.715 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.190 -3.365 7.992 1.00 0.00 H new ATOM 182 N LEU A 15 5.100 -1.433 6.128 1.00 0.00 N ATOM 183 CA LEU A 15 3.729 -0.948 6.255 1.00 0.00 C ATOM 184 C LEU A 15 3.178 -1.233 7.648 1.00 0.00 C ATOM 185 O LEU A 15 3.679 -2.103 8.360 1.00 0.00 O ATOM 186 CB LEU A 15 2.837 -1.601 5.198 1.00 0.00 C ATOM 187 CG LEU A 15 3.294 -1.448 3.746 1.00 0.00 C ATOM 188 CD1 LEU A 15 2.700 -2.548 2.881 1.00 0.00 C ATOM 189 CD2 LEU A 15 2.910 -0.077 3.208 1.00 0.00 C ATOM 0 H LEU A 15 5.253 -2.066 5.343 1.00 0.00 H new ATOM 0 HA LEU A 15 3.735 0.131 6.101 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.760 -2.665 5.423 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.835 -1.182 5.288 1.00 0.00 H new ATOM 0 HG LEU A 15 4.380 -1.537 3.715 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.036 -2.423 1.852 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.025 -3.519 3.253 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.612 -2.492 2.917 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.243 0.014 2.174 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.827 0.041 3.252 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.384 0.697 3.812 1.00 0.00 H new ATOM 201 N LYS A 16 2.141 -0.494 8.031 1.00 0.00 N ATOM 202 CA LYS A 16 1.518 -0.669 9.337 1.00 0.00 C ATOM 203 C LYS A 16 0.003 -0.520 9.241 1.00 0.00 C ATOM 204 O LYS A 16 -0.514 0.056 8.284 1.00 0.00 O ATOM 205 CB LYS A 16 2.079 0.349 10.333 1.00 0.00 C ATOM 206 CG LYS A 16 1.688 1.784 10.022 1.00 0.00 C ATOM 207 CD LYS A 16 2.437 2.770 10.902 1.00 0.00 C ATOM 208 CE LYS A 16 2.270 4.198 10.407 1.00 0.00 C ATOM 209 NZ LYS A 16 2.765 5.191 11.400 1.00 0.00 N ATOM 0 H LYS A 16 1.715 0.232 7.455 1.00 0.00 H new ATOM 0 HA LYS A 16 1.745 -1.675 9.688 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.731 0.095 11.334 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.166 0.272 10.345 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.896 2.000 8.974 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.615 1.909 10.166 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.073 2.694 11.927 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.496 2.512 10.920 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.810 4.323 9.469 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.218 4.389 10.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.633 6.152 11.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.232 5.090 12.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.776 5.026 11.582 1.00 0.00 H new ATOM 223 N ASP A 17 -0.702 -1.041 10.239 1.00 0.00 N ATOM 224 CA ASP A 17 -2.158 -0.963 10.268 1.00 0.00 C ATOM 225 C ASP A 17 -2.632 0.464 10.013 1.00 0.00 C ATOM 226 O ASP A 17 -2.356 1.371 10.800 1.00 0.00 O ATOM 227 CB ASP A 17 -2.690 -1.457 11.615 1.00 0.00 C ATOM 228 CG ASP A 17 -2.069 -2.775 12.034 1.00 0.00 C ATOM 229 OD1 ASP A 17 -0.825 -2.853 12.093 1.00 0.00 O ATOM 230 OD2 ASP A 17 -2.829 -3.730 12.302 1.00 0.00 O ATOM 0 H ASP A 17 -0.289 -1.522 11.038 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.547 -1.602 9.475 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.491 -0.705 12.379 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.772 -1.571 11.555 1.00 0.00 H new ATOM 235 N LEU A 18 -3.344 0.657 8.908 1.00 0.00 N ATOM 236 CA LEU A 18 -3.856 1.975 8.548 1.00 0.00 C ATOM 237 C LEU A 18 -5.348 2.080 8.848 1.00 0.00 C ATOM 238 O LEU A 18 -6.024 1.071 9.044 1.00 0.00 O ATOM 239 CB LEU A 18 -3.601 2.255 7.066 1.00 0.00 C ATOM 240 CG LEU A 18 -2.134 2.369 6.647 1.00 0.00 C ATOM 241 CD1 LEU A 18 -2.009 2.353 5.132 1.00 0.00 C ATOM 242 CD2 LEU A 18 -1.512 3.633 7.223 1.00 0.00 C ATOM 0 H LEU A 18 -3.580 -0.082 8.246 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.331 2.718 9.148 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.064 1.460 6.482 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.107 3.183 6.800 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.594 1.509 7.044 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.959 2.435 4.853 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.416 1.420 4.743 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.563 3.193 4.712 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.468 3.698 6.915 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.054 4.505 6.856 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.568 3.603 8.311 1.00 0.00 H new ATOM 254 N GLU A 19 -5.854 3.309 8.879 1.00 0.00 N ATOM 255 CA GLU A 19 -7.267 3.545 9.153 1.00 0.00 C ATOM 256 C GLU A 19 -7.845 4.571 8.183 1.00 0.00 C ATOM 257 O GLU A 19 -7.180 5.540 7.817 1.00 0.00 O ATOM 258 CB GLU A 19 -7.456 4.027 10.593 1.00 0.00 C ATOM 259 CG GLU A 19 -7.671 2.899 11.589 1.00 0.00 C ATOM 260 CD GLU A 19 -6.371 2.387 12.179 1.00 0.00 C ATOM 261 OE1 GLU A 19 -5.683 1.595 11.503 1.00 0.00 O ATOM 262 OE2 GLU A 19 -6.043 2.779 13.319 1.00 0.00 O ATOM 0 H GLU A 19 -5.308 4.155 8.718 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.799 2.603 9.019 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.580 4.603 10.892 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.310 4.703 10.632 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.318 3.248 12.394 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.190 2.077 11.096 1.00 0.00 H new ATOM 269 N VAL A 20 -9.089 4.350 7.769 1.00 0.00 N ATOM 270 CA VAL A 20 -9.758 5.254 6.841 1.00 0.00 C ATOM 271 C VAL A 20 -11.273 5.121 6.941 1.00 0.00 C ATOM 272 O VAL A 20 -11.789 4.117 7.435 1.00 0.00 O ATOM 273 CB VAL A 20 -9.326 4.987 5.387 1.00 0.00 C ATOM 274 CG1 VAL A 20 -10.110 5.868 4.426 1.00 0.00 C ATOM 275 CG2 VAL A 20 -7.829 5.211 5.227 1.00 0.00 C ATOM 0 H VAL A 20 -9.654 3.553 8.062 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.465 6.266 7.119 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.543 3.946 5.147 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.791 5.665 3.404 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.175 5.655 4.523 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.927 6.916 4.662 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.541 5.018 4.194 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.586 6.242 5.485 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.287 4.534 5.887 1.00 0.00 H new ATOM 285 N LEU A 21 -11.983 6.141 6.471 1.00 0.00 N ATOM 286 CA LEU A 21 -13.442 6.139 6.507 1.00 0.00 C ATOM 287 C LEU A 21 -14.021 6.030 5.100 1.00 0.00 C ATOM 288 O LEU A 21 -13.588 6.730 4.185 1.00 0.00 O ATOM 289 CB LEU A 21 -13.957 7.409 7.186 1.00 0.00 C ATOM 290 CG LEU A 21 -15.441 7.419 7.553 1.00 0.00 C ATOM 291 CD1 LEU A 21 -15.647 6.872 8.957 1.00 0.00 C ATOM 292 CD2 LEU A 21 -16.009 8.826 7.438 1.00 0.00 C ATOM 0 H LEU A 21 -11.573 6.980 6.061 1.00 0.00 H new ATOM 0 HA LEU A 21 -13.766 5.271 7.081 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -13.377 7.572 8.095 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -13.761 8.255 6.527 1.00 0.00 H new ATOM 0 HG LEU A 21 -15.973 6.775 6.853 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -16.709 6.887 9.201 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -15.278 5.848 9.006 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -15.102 7.489 9.671 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -17.066 8.814 7.703 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -15.473 9.491 8.115 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -15.895 9.182 6.414 1.00 0.00 H new ATOM 304 N GLU A 22 -15.004 5.150 4.936 1.00 0.00 N ATOM 305 CA GLU A 22 -15.643 4.952 3.640 1.00 0.00 C ATOM 306 C GLU A 22 -15.861 6.286 2.932 1.00 0.00 C ATOM 307 O GLU A 22 -16.487 7.195 3.476 1.00 0.00 O ATOM 308 CB GLU A 22 -16.980 4.228 3.811 1.00 0.00 C ATOM 309 CG GLU A 22 -17.883 4.322 2.593 1.00 0.00 C ATOM 310 CD GLU A 22 -17.357 3.526 1.414 1.00 0.00 C ATOM 311 OE1 GLU A 22 -16.126 3.525 1.202 1.00 0.00 O ATOM 312 OE2 GLU A 22 -18.175 2.905 0.705 1.00 0.00 O ATOM 0 H GLU A 22 -15.375 4.563 5.684 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.982 4.339 3.027 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -16.789 3.178 4.031 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -17.502 4.645 4.673 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -18.878 3.962 2.855 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -17.988 5.367 2.303 1.00 0.00 H new ATOM 319 N GLY A 23 -15.340 6.396 1.714 1.00 0.00 N ATOM 320 CA GLY A 23 -15.487 7.621 0.951 1.00 0.00 C ATOM 321 C GLY A 23 -14.186 8.388 0.828 1.00 0.00 C ATOM 322 O GLY A 23 -14.188 9.593 0.580 1.00 0.00 O ATOM 0 H GLY A 23 -14.818 5.658 1.242 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.860 7.382 -0.045 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.235 8.255 1.428 1.00 0.00 H new ATOM 326 N GLY A 24 -13.069 7.688 1.004 1.00 0.00 N ATOM 327 CA GLY A 24 -11.770 8.328 0.910 1.00 0.00 C ATOM 328 C GLY A 24 -10.752 7.469 0.185 1.00 0.00 C ATOM 329 O GLY A 24 -11.096 6.738 -0.744 1.00 0.00 O ATOM 0 H GLY A 24 -13.041 6.689 1.210 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.874 9.280 0.390 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.405 8.551 1.912 1.00 0.00 H new ATOM 333 N ALA A 25 -9.496 7.559 0.609 1.00 0.00 N ATOM 334 CA ALA A 25 -8.425 6.784 -0.006 1.00 0.00 C ATOM 335 C ALA A 25 -7.423 6.307 1.039 1.00 0.00 C ATOM 336 O ALA A 25 -7.312 6.889 2.118 1.00 0.00 O ATOM 337 CB ALA A 25 -7.723 7.609 -1.075 1.00 0.00 C ATOM 0 H ALA A 25 -9.195 8.161 1.376 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.869 5.905 -0.474 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.926 7.018 -1.526 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.441 7.896 -1.843 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.299 8.505 -0.623 1.00 0.00 H new ATOM 343 N ALA A 26 -6.695 5.244 0.713 1.00 0.00 N ATOM 344 CA ALA A 26 -5.701 4.689 1.623 1.00 0.00 C ATOM 345 C ALA A 26 -4.290 4.874 1.075 1.00 0.00 C ATOM 346 O ALA A 26 -3.953 4.356 0.010 1.00 0.00 O ATOM 347 CB ALA A 26 -5.982 3.216 1.877 1.00 0.00 C ATOM 0 H ALA A 26 -6.775 4.750 -0.176 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.769 5.228 2.568 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.232 2.815 2.558 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.971 3.106 2.321 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.945 2.671 0.934 1.00 0.00 H new ATOM 353 N THR A 27 -3.468 5.618 1.808 1.00 0.00 N ATOM 354 CA THR A 27 -2.094 5.873 1.394 1.00 0.00 C ATOM 355 C THR A 27 -1.115 5.001 2.172 1.00 0.00 C ATOM 356 O THR A 27 -0.891 5.213 3.364 1.00 0.00 O ATOM 357 CB THR A 27 -1.714 7.353 1.591 1.00 0.00 C ATOM 358 OG1 THR A 27 -2.434 8.171 0.662 1.00 0.00 O ATOM 359 CG2 THR A 27 -0.218 7.557 1.401 1.00 0.00 C ATOM 0 H THR A 27 -3.730 6.055 2.692 1.00 0.00 H new ATOM 0 HA THR A 27 -2.032 5.627 0.334 1.00 0.00 H new ATOM 0 HB THR A 27 -1.978 7.641 2.609 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.188 9.110 0.795 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.027 8.609 1.545 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.327 6.955 2.128 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.066 7.253 0.393 1.00 0.00 H new ATOM 367 N LEU A 28 -0.533 4.021 1.489 1.00 0.00 N ATOM 368 CA LEU A 28 0.425 3.117 2.117 1.00 0.00 C ATOM 369 C LEU A 28 1.848 3.646 1.975 1.00 0.00 C ATOM 370 O LEU A 28 2.442 3.578 0.898 1.00 0.00 O ATOM 371 CB LEU A 28 0.323 1.723 1.494 1.00 0.00 C ATOM 372 CG LEU A 28 -0.788 0.824 2.039 1.00 0.00 C ATOM 373 CD1 LEU A 28 -2.093 1.082 1.302 1.00 0.00 C ATOM 374 CD2 LEU A 28 -0.391 -0.641 1.928 1.00 0.00 C ATOM 0 H LEU A 28 -0.707 3.832 0.502 1.00 0.00 H new ATOM 0 HA LEU A 28 0.185 3.054 3.178 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.177 1.837 0.420 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.277 1.214 1.634 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.937 1.061 3.093 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.872 0.433 1.703 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.385 2.124 1.433 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.959 0.874 0.241 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.193 -1.266 2.320 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.214 -0.892 0.882 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.519 -0.816 2.502 1.00 0.00 H new ATOM 386 N ARG A 29 2.390 4.172 3.068 1.00 0.00 N ATOM 387 CA ARG A 29 3.744 4.712 3.066 1.00 0.00 C ATOM 388 C ARG A 29 4.656 3.898 3.979 1.00 0.00 C ATOM 389 O ARG A 29 4.379 3.738 5.168 1.00 0.00 O ATOM 390 CB ARG A 29 3.733 6.175 3.512 1.00 0.00 C ATOM 391 CG ARG A 29 4.845 7.008 2.896 1.00 0.00 C ATOM 392 CD ARG A 29 6.131 6.905 3.702 1.00 0.00 C ATOM 393 NE ARG A 29 5.984 7.469 5.041 1.00 0.00 N ATOM 394 CZ ARG A 29 5.846 8.768 5.280 1.00 0.00 C ATOM 395 NH1 ARG A 29 5.835 9.633 4.275 1.00 0.00 N ATOM 396 NH2 ARG A 29 5.718 9.204 6.527 1.00 0.00 N ATOM 0 H ARG A 29 1.912 4.236 3.967 1.00 0.00 H new ATOM 0 HA ARG A 29 4.130 4.652 2.048 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.772 6.618 3.252 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.819 6.216 4.598 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.027 6.675 1.874 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.532 8.051 2.840 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.427 5.859 3.780 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.931 7.425 3.176 1.00 0.00 H new ATOM 0 HE ARG A 29 5.988 6.830 5.836 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.933 9.301 3.315 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.729 10.630 4.462 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.726 8.541 7.302 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.612 10.202 6.710 1.00 0.00 H new ATOM 410 N CYS A 30 5.744 3.384 3.415 1.00 0.00 N ATOM 411 CA CYS A 30 6.696 2.585 4.177 1.00 0.00 C ATOM 412 C CYS A 30 8.130 2.936 3.794 1.00 0.00 C ATOM 413 O CYS A 30 8.421 3.226 2.634 1.00 0.00 O ATOM 414 CB CYS A 30 6.444 1.094 3.945 1.00 0.00 C ATOM 415 SG CYS A 30 6.462 0.605 2.204 1.00 0.00 S ATOM 0 H CYS A 30 5.988 3.507 2.432 1.00 0.00 H new ATOM 0 HA CYS A 30 6.556 2.809 5.234 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.201 0.521 4.480 1.00 0.00 H new ATOM 0 HB3 CYS A 30 5.479 0.828 4.376 1.00 0.00 H new ATOM 0 HG CYS A 30 6.242 -0.673 2.110 1.00 0.00 H new ATOM 421 N VAL A 31 9.023 2.909 4.779 1.00 0.00 N ATOM 422 CA VAL A 31 10.427 3.225 4.545 1.00 0.00 C ATOM 423 C VAL A 31 11.297 1.978 4.657 1.00 0.00 C ATOM 424 O VAL A 31 11.155 1.190 5.592 1.00 0.00 O ATOM 425 CB VAL A 31 10.937 4.284 5.542 1.00 0.00 C ATOM 426 CG1 VAL A 31 12.434 4.495 5.377 1.00 0.00 C ATOM 427 CG2 VAL A 31 10.183 5.592 5.361 1.00 0.00 C ATOM 0 H VAL A 31 8.799 2.672 5.745 1.00 0.00 H new ATOM 0 HA VAL A 31 10.498 3.624 3.533 1.00 0.00 H new ATOM 0 HB VAL A 31 10.755 3.923 6.554 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.776 5.246 6.089 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.956 3.556 5.561 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.644 4.834 4.363 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.556 6.328 6.073 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.332 5.961 4.346 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.120 5.426 5.534 1.00 0.00 H new ATOM 437 N LEU A 32 12.199 1.805 3.696 1.00 0.00 N ATOM 438 CA LEU A 32 13.094 0.653 3.686 1.00 0.00 C ATOM 439 C LEU A 32 14.476 1.033 4.206 1.00 0.00 C ATOM 440 O LEU A 32 14.844 2.208 4.220 1.00 0.00 O ATOM 441 CB LEU A 32 13.207 0.084 2.270 1.00 0.00 C ATOM 442 CG LEU A 32 11.887 -0.202 1.554 1.00 0.00 C ATOM 443 CD1 LEU A 32 12.082 -0.177 0.046 1.00 0.00 C ATOM 444 CD2 LEU A 32 11.318 -1.542 1.998 1.00 0.00 C ATOM 0 H LEU A 32 12.330 2.447 2.915 1.00 0.00 H new ATOM 0 HA LEU A 32 12.676 -0.108 4.345 1.00 0.00 H new ATOM 0 HB2 LEU A 32 13.782 0.784 1.664 1.00 0.00 H new ATOM 0 HB3 LEU A 32 13.780 -0.842 2.317 1.00 0.00 H new ATOM 0 HG LEU A 32 11.175 0.579 1.821 1.00 0.00 H new ATOM 0 HD11 LEU A 32 11.132 -0.383 -0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.443 0.805 -0.258 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.811 -0.936 -0.239 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.378 -1.729 1.478 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.027 -2.335 1.761 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.140 -1.523 3.073 1.00 0.00 H new ATOM 456 N SER A 33 15.239 0.031 4.630 1.00 0.00 N ATOM 457 CA SER A 33 16.581 0.260 5.153 1.00 0.00 C ATOM 458 C SER A 33 17.504 0.797 4.063 1.00 0.00 C ATOM 459 O SER A 33 18.588 1.306 4.347 1.00 0.00 O ATOM 460 CB SER A 33 17.155 -1.036 5.729 1.00 0.00 C ATOM 461 OG SER A 33 18.472 -0.839 6.214 1.00 0.00 O ATOM 0 H SER A 33 14.951 -0.947 4.622 1.00 0.00 H new ATOM 0 HA SER A 33 16.513 1.004 5.947 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.516 -1.393 6.537 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.159 -1.809 4.960 1.00 0.00 H new ATOM 0 HG SER A 33 18.873 -0.066 5.766 1.00 0.00 H new ATOM 467 N SER A 34 17.065 0.681 2.814 1.00 0.00 N ATOM 468 CA SER A 34 17.852 1.151 1.680 1.00 0.00 C ATOM 469 C SER A 34 17.054 1.046 0.384 1.00 0.00 C ATOM 470 O SER A 34 16.326 0.077 0.166 1.00 0.00 O ATOM 471 CB SER A 34 19.147 0.345 1.561 1.00 0.00 C ATOM 472 OG SER A 34 20.124 0.814 2.474 1.00 0.00 O ATOM 0 H SER A 34 16.168 0.265 2.562 1.00 0.00 H new ATOM 0 HA SER A 34 18.099 2.199 1.851 1.00 0.00 H new ATOM 0 HB2 SER A 34 18.942 -0.709 1.752 1.00 0.00 H new ATOM 0 HB3 SER A 34 19.531 0.416 0.544 1.00 0.00 H new ATOM 0 HG SER A 34 19.714 1.456 3.090 1.00 0.00 H new ATOM 478 N VAL A 35 17.195 2.051 -0.474 1.00 0.00 N ATOM 479 CA VAL A 35 16.489 2.073 -1.750 1.00 0.00 C ATOM 480 C VAL A 35 16.984 0.963 -2.671 1.00 0.00 C ATOM 481 O VAL A 35 18.084 1.040 -3.217 1.00 0.00 O ATOM 482 CB VAL A 35 16.657 3.428 -2.461 1.00 0.00 C ATOM 483 CG1 VAL A 35 18.125 3.822 -2.522 1.00 0.00 C ATOM 484 CG2 VAL A 35 16.054 3.376 -3.857 1.00 0.00 C ATOM 0 H VAL A 35 17.792 2.861 -0.309 1.00 0.00 H new ATOM 0 HA VAL A 35 15.433 1.915 -1.530 1.00 0.00 H new ATOM 0 HB VAL A 35 16.125 4.187 -1.887 1.00 0.00 H new ATOM 0 HG11 VAL A 35 18.223 4.782 -3.028 1.00 0.00 H new ATOM 0 HG12 VAL A 35 18.522 3.903 -1.510 1.00 0.00 H new ATOM 0 HG13 VAL A 35 18.683 3.064 -3.071 1.00 0.00 H new ATOM 0 HG21 VAL A 35 16.182 4.342 -4.345 1.00 0.00 H new ATOM 0 HG22 VAL A 35 16.556 2.605 -4.442 1.00 0.00 H new ATOM 0 HG23 VAL A 35 14.992 3.143 -3.786 1.00 0.00 H new ATOM 494 N ALA A 36 16.163 -0.069 -2.839 1.00 0.00 N ATOM 495 CA ALA A 36 16.516 -1.194 -3.696 1.00 0.00 C ATOM 496 C ALA A 36 15.570 -1.294 -4.888 1.00 0.00 C ATOM 497 O ALA A 36 15.454 -2.348 -5.513 1.00 0.00 O ATOM 498 CB ALA A 36 16.503 -2.489 -2.898 1.00 0.00 C ATOM 0 H ALA A 36 15.249 -0.149 -2.393 1.00 0.00 H new ATOM 0 HA ALA A 36 17.523 -1.026 -4.079 1.00 0.00 H new ATOM 0 HB1 ALA A 36 16.768 -3.321 -3.550 1.00 0.00 H new ATOM 0 HB2 ALA A 36 17.224 -2.422 -2.084 1.00 0.00 H new ATOM 0 HB3 ALA A 36 15.507 -2.653 -2.487 1.00 0.00 H new ATOM 504 N ALA A 37 14.895 -0.191 -5.196 1.00 0.00 N ATOM 505 CA ALA A 37 13.959 -0.156 -6.313 1.00 0.00 C ATOM 506 C ALA A 37 14.554 -0.823 -7.549 1.00 0.00 C ATOM 507 O ALA A 37 15.752 -1.097 -7.619 1.00 0.00 O ATOM 508 CB ALA A 37 13.564 1.280 -6.625 1.00 0.00 C ATOM 0 H ALA A 37 14.979 0.689 -4.688 1.00 0.00 H new ATOM 0 HA ALA A 37 13.067 -0.713 -6.025 1.00 0.00 H new ATOM 0 HB1 ALA A 37 12.865 1.292 -7.461 1.00 0.00 H new ATOM 0 HB2 ALA A 37 13.091 1.725 -5.750 1.00 0.00 H new ATOM 0 HB3 ALA A 37 14.453 1.853 -6.888 1.00 0.00 H new ATOM 514 N PRO A 38 13.699 -1.091 -8.547 1.00 0.00 N ATOM 515 CA PRO A 38 12.271 -0.770 -8.473 1.00 0.00 C ATOM 516 C PRO A 38 11.530 -1.648 -7.471 1.00 0.00 C ATOM 517 O PRO A 38 12.101 -2.580 -6.906 1.00 0.00 O ATOM 518 CB PRO A 38 11.773 -1.043 -9.895 1.00 0.00 C ATOM 519 CG PRO A 38 12.729 -2.044 -10.445 1.00 0.00 C ATOM 520 CD PRO A 38 14.061 -1.730 -9.823 1.00 0.00 C ATOM 0 HA PRO A 38 12.100 0.252 -8.135 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.754 -1.430 -9.890 1.00 0.00 H new ATOM 0 HB3 PRO A 38 11.765 -0.132 -10.494 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.414 -3.059 -10.202 1.00 0.00 H new ATOM 0 HG3 PRO A 38 12.781 -1.978 -11.532 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.654 -2.631 -9.667 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.652 -1.064 -10.452 1.00 0.00 H new ATOM 528 N VAL A 39 10.254 -1.344 -7.255 1.00 0.00 N ATOM 529 CA VAL A 39 9.434 -2.106 -6.321 1.00 0.00 C ATOM 530 C VAL A 39 8.350 -2.889 -7.054 1.00 0.00 C ATOM 531 O VAL A 39 8.013 -2.582 -8.198 1.00 0.00 O ATOM 532 CB VAL A 39 8.771 -1.189 -5.276 1.00 0.00 C ATOM 533 CG1 VAL A 39 8.290 -1.999 -4.083 1.00 0.00 C ATOM 534 CG2 VAL A 39 9.737 -0.098 -4.837 1.00 0.00 C ATOM 0 H VAL A 39 9.766 -0.575 -7.714 1.00 0.00 H new ATOM 0 HA VAL A 39 10.100 -2.802 -5.811 1.00 0.00 H new ATOM 0 HB VAL A 39 7.904 -0.713 -5.733 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.825 -1.334 -3.356 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.562 -2.739 -4.415 1.00 0.00 H new ATOM 0 HG13 VAL A 39 9.138 -2.505 -3.621 1.00 0.00 H new ATOM 0 HG21 VAL A 39 9.253 0.541 -4.099 1.00 0.00 H new ATOM 0 HG22 VAL A 39 10.624 -0.553 -4.397 1.00 0.00 H new ATOM 0 HG23 VAL A 39 10.027 0.501 -5.701 1.00 0.00 H new ATOM 544 N LYS A 40 7.806 -3.901 -6.388 1.00 0.00 N ATOM 545 CA LYS A 40 6.758 -4.728 -6.974 1.00 0.00 C ATOM 546 C LYS A 40 5.561 -4.836 -6.035 1.00 0.00 C ATOM 547 O LYS A 40 5.603 -5.561 -5.041 1.00 0.00 O ATOM 548 CB LYS A 40 7.298 -6.124 -7.291 1.00 0.00 C ATOM 549 CG LYS A 40 6.446 -6.896 -8.284 1.00 0.00 C ATOM 550 CD LYS A 40 7.273 -7.907 -9.060 1.00 0.00 C ATOM 551 CE LYS A 40 6.440 -9.114 -9.465 1.00 0.00 C ATOM 552 NZ LYS A 40 7.143 -9.961 -10.468 1.00 0.00 N ATOM 0 H LYS A 40 8.074 -4.169 -5.441 1.00 0.00 H new ATOM 0 HA LYS A 40 6.431 -4.253 -7.899 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.309 -6.032 -7.688 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.370 -6.695 -6.365 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.644 -7.410 -7.754 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.975 -6.200 -8.978 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.687 -7.434 -9.950 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.116 -8.233 -8.451 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.212 -9.711 -8.582 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.489 -8.777 -9.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.543 -10.773 -10.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.339 -9.399 -11.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.039 -10.304 -10.066 1.00 0.00 H new ATOM 566 N TRP A 41 4.495 -4.112 -6.357 1.00 0.00 N ATOM 567 CA TRP A 41 3.286 -4.128 -5.542 1.00 0.00 C ATOM 568 C TRP A 41 2.363 -5.267 -5.960 1.00 0.00 C ATOM 569 O TRP A 41 1.874 -5.299 -7.090 1.00 0.00 O ATOM 570 CB TRP A 41 2.551 -2.791 -5.657 1.00 0.00 C ATOM 571 CG TRP A 41 3.063 -1.748 -4.710 1.00 0.00 C ATOM 572 CD1 TRP A 41 4.070 -0.855 -4.942 1.00 0.00 C ATOM 573 CD2 TRP A 41 2.595 -1.493 -3.382 1.00 0.00 C ATOM 574 NE1 TRP A 41 4.255 -0.059 -3.837 1.00 0.00 N ATOM 575 CE2 TRP A 41 3.363 -0.430 -2.867 1.00 0.00 C ATOM 576 CE3 TRP A 41 1.601 -2.057 -2.578 1.00 0.00 C ATOM 577 CZ2 TRP A 41 3.166 0.078 -1.585 1.00 0.00 C ATOM 578 CZ3 TRP A 41 1.408 -1.553 -1.306 1.00 0.00 C ATOM 579 CH2 TRP A 41 2.186 -0.494 -0.820 1.00 0.00 C ATOM 0 H TRP A 41 4.443 -3.507 -7.176 1.00 0.00 H new ATOM 0 HA TRP A 41 3.579 -4.285 -4.504 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.643 -2.421 -6.678 1.00 0.00 H new ATOM 0 HB3 TRP A 41 1.489 -2.951 -5.470 1.00 0.00 H new ATOM 0 HD1 TRP A 41 4.637 -0.785 -5.858 1.00 0.00 H new ATOM 0 HE1 TRP A 41 4.945 0.687 -3.753 1.00 0.00 H new ATOM 0 HE3 TRP A 41 0.995 -2.872 -2.944 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 3.765 0.894 -1.208 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 0.644 -1.983 -0.675 1.00 0.00 H new ATOM 0 HH2 TRP A 41 2.009 -0.122 0.178 1.00 0.00 H new ATOM 590 N CYS A 42 2.128 -6.199 -5.043 1.00 0.00 N ATOM 591 CA CYS A 42 1.263 -7.341 -5.318 1.00 0.00 C ATOM 592 C CYS A 42 0.034 -7.322 -4.415 1.00 0.00 C ATOM 593 O CYS A 42 0.149 -7.381 -3.190 1.00 0.00 O ATOM 594 CB CYS A 42 2.033 -8.648 -5.124 1.00 0.00 C ATOM 595 SG CYS A 42 3.071 -9.109 -6.531 1.00 0.00 S ATOM 0 H CYS A 42 2.524 -6.186 -4.103 1.00 0.00 H new ATOM 0 HA CYS A 42 0.931 -7.273 -6.354 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.660 -8.559 -4.237 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.322 -9.451 -4.932 1.00 0.00 H new ATOM 0 HG CYS A 42 3.683 -10.226 -6.271 1.00 0.00 H new ATOM 601 N TYR A 43 -1.142 -7.236 -5.027 1.00 0.00 N ATOM 602 CA TYR A 43 -2.393 -7.205 -4.278 1.00 0.00 C ATOM 603 C TYR A 43 -3.483 -7.984 -5.007 1.00 0.00 C ATOM 604 O TYR A 43 -3.965 -7.564 -6.058 1.00 0.00 O ATOM 605 CB TYR A 43 -2.843 -5.760 -4.058 1.00 0.00 C ATOM 606 CG TYR A 43 -4.220 -5.641 -3.443 1.00 0.00 C ATOM 607 CD1 TYR A 43 -4.484 -6.153 -2.179 1.00 0.00 C ATOM 608 CD2 TYR A 43 -5.256 -5.017 -4.127 1.00 0.00 C ATOM 609 CE1 TYR A 43 -5.740 -6.048 -1.614 1.00 0.00 C ATOM 610 CE2 TYR A 43 -6.515 -4.906 -3.570 1.00 0.00 C ATOM 611 CZ TYR A 43 -6.752 -5.423 -2.313 1.00 0.00 C ATOM 612 OH TYR A 43 -8.004 -5.316 -1.753 1.00 0.00 O ATOM 0 H TYR A 43 -1.255 -7.187 -6.039 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.221 -7.676 -3.310 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.122 -5.258 -3.413 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.835 -5.236 -5.014 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.694 -6.642 -1.629 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -5.074 -4.612 -5.111 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -5.929 -6.453 -0.631 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.309 -4.417 -4.115 1.00 0.00 H new ATOM 0 HH TYR A 43 -8.601 -4.849 -2.374 1.00 0.00 H new ATOM 622 N GLY A 44 -3.869 -9.122 -4.439 1.00 0.00 N ATOM 623 CA GLY A 44 -4.900 -9.943 -5.047 1.00 0.00 C ATOM 624 C GLY A 44 -4.726 -10.077 -6.546 1.00 0.00 C ATOM 625 O GLY A 44 -3.954 -10.912 -7.016 1.00 0.00 O ATOM 0 H GLY A 44 -3.486 -9.490 -3.568 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -4.886 -10.934 -4.593 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.877 -9.509 -4.835 1.00 0.00 H new ATOM 629 N ASN A 45 -5.447 -9.253 -7.300 1.00 0.00 N ATOM 630 CA ASN A 45 -5.369 -9.285 -8.756 1.00 0.00 C ATOM 631 C ASN A 45 -3.920 -9.203 -9.226 1.00 0.00 C ATOM 632 O ASN A 45 -2.998 -9.133 -8.416 1.00 0.00 O ATOM 633 CB ASN A 45 -6.178 -8.133 -9.356 1.00 0.00 C ATOM 634 CG ASN A 45 -7.515 -7.944 -8.665 1.00 0.00 C ATOM 635 OD1 ASN A 45 -7.733 -6.950 -7.972 1.00 0.00 O ATOM 636 ND2 ASN A 45 -8.418 -8.900 -8.852 1.00 0.00 N ATOM 0 H ASN A 45 -6.091 -8.556 -6.927 1.00 0.00 H new ATOM 0 HA ASN A 45 -5.789 -10.231 -9.097 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -5.601 -7.211 -9.283 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.344 -8.323 -10.416 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -9.336 -8.828 -8.413 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -8.194 -9.707 -9.435 1.00 0.00 H new ATOM 643 N ASN A 46 -3.729 -9.211 -10.542 1.00 0.00 N ATOM 644 CA ASN A 46 -2.393 -9.137 -11.120 1.00 0.00 C ATOM 645 C ASN A 46 -1.626 -7.940 -10.567 1.00 0.00 C ATOM 646 O ASN A 46 -2.190 -7.095 -9.870 1.00 0.00 O ATOM 647 CB ASN A 46 -2.479 -9.041 -12.645 1.00 0.00 C ATOM 648 CG ASN A 46 -3.158 -7.766 -13.106 1.00 0.00 C ATOM 649 OD1 ASN A 46 -2.951 -6.697 -12.533 1.00 0.00 O ATOM 650 ND2 ASN A 46 -3.974 -7.875 -14.148 1.00 0.00 N ATOM 0 H ASN A 46 -4.483 -9.268 -11.227 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.857 -10.046 -10.849 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -1.475 -9.088 -13.067 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -3.027 -9.901 -13.030 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -4.459 -7.051 -14.504 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -4.116 -8.782 -14.592 1.00 0.00 H new ATOM 657 N VAL A 47 -0.336 -7.873 -10.881 1.00 0.00 N ATOM 658 CA VAL A 47 0.509 -6.778 -10.418 1.00 0.00 C ATOM 659 C VAL A 47 -0.213 -5.440 -10.533 1.00 0.00 C ATOM 660 O VAL A 47 -0.835 -5.144 -11.554 1.00 0.00 O ATOM 661 CB VAL A 47 1.825 -6.709 -11.214 1.00 0.00 C ATOM 662 CG1 VAL A 47 2.490 -5.354 -11.030 1.00 0.00 C ATOM 663 CG2 VAL A 47 2.761 -7.833 -10.794 1.00 0.00 C ATOM 0 H VAL A 47 0.147 -8.564 -11.454 1.00 0.00 H new ATOM 0 HA VAL A 47 0.737 -6.976 -9.371 1.00 0.00 H new ATOM 0 HB VAL A 47 1.596 -6.834 -12.272 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.419 -5.324 -11.600 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.821 -4.569 -11.384 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.707 -5.196 -9.974 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.686 -7.769 -11.367 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.985 -7.742 -9.731 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.283 -8.794 -10.983 1.00 0.00 H new ATOM 673 N LEU A 48 -0.126 -4.635 -9.480 1.00 0.00 N ATOM 674 CA LEU A 48 -0.771 -3.327 -9.462 1.00 0.00 C ATOM 675 C LEU A 48 0.026 -2.316 -10.281 1.00 0.00 C ATOM 676 O LEU A 48 1.110 -1.893 -9.878 1.00 0.00 O ATOM 677 CB LEU A 48 -0.921 -2.830 -8.023 1.00 0.00 C ATOM 678 CG LEU A 48 -1.782 -3.694 -7.101 1.00 0.00 C ATOM 679 CD1 LEU A 48 -1.802 -3.117 -5.694 1.00 0.00 C ATOM 680 CD2 LEU A 48 -3.196 -3.814 -7.650 1.00 0.00 C ATOM 0 H LEU A 48 0.385 -4.865 -8.628 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.760 -3.430 -9.909 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.073 -2.744 -7.584 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.346 -1.826 -8.049 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.345 -4.692 -7.056 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.420 -3.745 -5.052 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.786 -3.083 -5.300 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.215 -2.108 -5.720 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.795 -4.432 -6.981 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.643 -2.823 -7.725 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.165 -4.273 -8.638 1.00 0.00 H new ATOM 692 N ARG A 49 -0.519 -1.932 -11.430 1.00 0.00 N ATOM 693 CA ARG A 49 0.141 -0.971 -12.305 1.00 0.00 C ATOM 694 C ARG A 49 -0.434 0.429 -12.107 1.00 0.00 C ATOM 695 O ARG A 49 -1.609 0.603 -11.783 1.00 0.00 O ATOM 696 CB ARG A 49 -0.009 -1.393 -13.768 1.00 0.00 C ATOM 697 CG ARG A 49 0.588 -2.756 -14.073 1.00 0.00 C ATOM 698 CD ARG A 49 0.383 -3.142 -15.530 1.00 0.00 C ATOM 699 NE ARG A 49 0.300 -4.589 -15.707 1.00 0.00 N ATOM 700 CZ ARG A 49 0.483 -5.198 -16.873 1.00 0.00 C ATOM 701 NH1 ARG A 49 0.759 -4.489 -17.959 1.00 0.00 N ATOM 702 NH2 ARG A 49 0.392 -6.519 -16.954 1.00 0.00 N ATOM 0 H ARG A 49 -1.416 -2.272 -11.777 1.00 0.00 H new ATOM 0 HA ARG A 49 1.200 -0.951 -12.047 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.068 -1.403 -14.028 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.468 -0.647 -14.403 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.654 -2.747 -13.845 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.131 -3.507 -13.429 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.530 -2.678 -15.903 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.206 -2.750 -16.128 1.00 0.00 H new ATOM 0 HE ARG A 49 0.090 -5.163 -14.891 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.831 -3.473 -17.900 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.899 -4.959 -18.853 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.181 -7.068 -16.120 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.533 -6.986 -17.850 1.00 0.00 H new ATOM 716 N PRO A 50 0.412 1.450 -12.304 1.00 0.00 N ATOM 717 CA PRO A 50 0.010 2.852 -12.152 1.00 0.00 C ATOM 718 C PRO A 50 -0.945 3.303 -13.251 1.00 0.00 C ATOM 719 O PRO A 50 -0.981 2.720 -14.334 1.00 0.00 O ATOM 720 CB PRO A 50 1.335 3.613 -12.249 1.00 0.00 C ATOM 721 CG PRO A 50 2.227 2.722 -13.042 1.00 0.00 C ATOM 722 CD PRO A 50 1.827 1.316 -12.690 1.00 0.00 C ATOM 0 HA PRO A 50 -0.528 3.023 -11.220 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.202 4.578 -12.739 1.00 0.00 H new ATOM 0 HB3 PRO A 50 1.751 3.812 -11.261 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.111 2.905 -14.110 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.274 2.902 -12.799 1.00 0.00 H new ATOM 0 HD2 PRO A 50 1.950 0.640 -13.536 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.430 0.919 -11.874 1.00 0.00 H new ATOM 730 N GLY A 51 -1.718 4.347 -12.966 1.00 0.00 N ATOM 731 CA GLY A 51 -2.663 4.859 -13.941 1.00 0.00 C ATOM 732 C GLY A 51 -3.558 5.941 -13.368 1.00 0.00 C ATOM 733 O GLY A 51 -3.093 6.823 -12.647 1.00 0.00 O ATOM 0 H GLY A 51 -1.706 4.847 -12.077 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.118 5.258 -14.796 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.280 4.039 -14.310 1.00 0.00 H new ATOM 737 N ASP A 52 -4.845 5.873 -13.691 1.00 0.00 N ATOM 738 CA ASP A 52 -5.807 6.855 -13.205 1.00 0.00 C ATOM 739 C ASP A 52 -6.489 6.363 -11.932 1.00 0.00 C ATOM 740 O ASP A 52 -7.299 7.072 -11.335 1.00 0.00 O ATOM 741 CB ASP A 52 -6.856 7.149 -14.279 1.00 0.00 C ATOM 742 CG ASP A 52 -8.107 7.786 -13.708 1.00 0.00 C ATOM 743 OD1 ASP A 52 -8.082 9.005 -13.437 1.00 0.00 O ATOM 744 OD2 ASP A 52 -9.112 7.066 -13.533 1.00 0.00 O ATOM 0 H ASP A 52 -5.246 5.149 -14.287 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.267 7.773 -12.975 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.426 7.810 -15.031 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.123 6.221 -14.785 1.00 0.00 H new ATOM 749 N LYS A 53 -6.157 5.143 -11.522 1.00 0.00 N ATOM 750 CA LYS A 53 -6.736 4.555 -10.321 1.00 0.00 C ATOM 751 C LYS A 53 -5.709 4.496 -9.194 1.00 0.00 C ATOM 752 O LYS A 53 -5.944 5.011 -8.101 1.00 0.00 O ATOM 753 CB LYS A 53 -7.262 3.149 -10.619 1.00 0.00 C ATOM 754 CG LYS A 53 -7.250 2.226 -9.413 1.00 0.00 C ATOM 755 CD LYS A 53 -8.168 2.733 -8.314 1.00 0.00 C ATOM 756 CE LYS A 53 -9.622 2.390 -8.600 1.00 0.00 C ATOM 757 NZ LYS A 53 -10.276 3.418 -9.456 1.00 0.00 N ATOM 0 H LYS A 53 -5.489 4.542 -12.005 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.565 5.187 -10.001 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.281 3.224 -10.998 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.659 2.705 -11.411 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.561 1.226 -9.716 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.233 2.141 -9.029 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.871 2.297 -7.360 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -8.060 3.813 -8.218 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.676 1.419 -9.093 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.166 2.301 -7.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.104 3.806 -8.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.601 4.184 -9.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -10.580 2.983 -10.350 1.00 0.00 H new ATOM 771 N TYR A 54 -4.572 3.868 -9.469 1.00 0.00 N ATOM 772 CA TYR A 54 -3.509 3.743 -8.478 1.00 0.00 C ATOM 773 C TYR A 54 -2.461 4.835 -8.662 1.00 0.00 C ATOM 774 O TYR A 54 -2.264 5.344 -9.765 1.00 0.00 O ATOM 775 CB TYR A 54 -2.850 2.366 -8.578 1.00 0.00 C ATOM 776 CG TYR A 54 -3.768 1.226 -8.197 1.00 0.00 C ATOM 777 CD1 TYR A 54 -4.076 0.972 -6.866 1.00 0.00 C ATOM 778 CD2 TYR A 54 -4.326 0.403 -9.167 1.00 0.00 C ATOM 779 CE1 TYR A 54 -4.913 -0.068 -6.513 1.00 0.00 C ATOM 780 CE2 TYR A 54 -5.165 -0.639 -8.823 1.00 0.00 C ATOM 781 CZ TYR A 54 -5.456 -0.871 -7.495 1.00 0.00 C ATOM 782 OH TYR A 54 -6.291 -1.908 -7.148 1.00 0.00 O ATOM 0 H TYR A 54 -4.362 3.437 -10.370 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.954 3.855 -7.489 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -2.500 2.214 -9.599 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -1.972 2.345 -7.933 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -3.654 1.599 -6.094 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -4.100 0.581 -10.208 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -5.141 -0.252 -5.474 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -5.591 -1.269 -9.590 1.00 0.00 H new ATOM 0 HH TYR A 54 -6.588 -2.374 -7.957 1.00 0.00 H new ATOM 792 N SER A 55 -1.789 5.191 -7.571 1.00 0.00 N ATOM 793 CA SER A 55 -0.762 6.225 -7.609 1.00 0.00 C ATOM 794 C SER A 55 0.560 5.699 -7.059 1.00 0.00 C ATOM 795 O SER A 55 0.739 5.585 -5.846 1.00 0.00 O ATOM 796 CB SER A 55 -1.210 7.449 -6.808 1.00 0.00 C ATOM 797 OG SER A 55 -0.230 8.472 -6.847 1.00 0.00 O ATOM 0 H SER A 55 -1.938 4.778 -6.650 1.00 0.00 H new ATOM 0 HA SER A 55 -0.613 6.515 -8.649 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.150 7.826 -7.210 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.399 7.161 -5.774 1.00 0.00 H new ATOM 0 HG SER A 55 -0.541 9.243 -6.329 1.00 0.00 H new ATOM 803 N LEU A 56 1.483 5.379 -7.959 1.00 0.00 N ATOM 804 CA LEU A 56 2.790 4.864 -7.565 1.00 0.00 C ATOM 805 C LEU A 56 3.831 5.979 -7.548 1.00 0.00 C ATOM 806 O LEU A 56 4.218 6.497 -8.596 1.00 0.00 O ATOM 807 CB LEU A 56 3.231 3.754 -8.520 1.00 0.00 C ATOM 808 CG LEU A 56 2.451 2.441 -8.429 1.00 0.00 C ATOM 809 CD1 LEU A 56 2.606 1.823 -7.048 1.00 0.00 C ATOM 810 CD2 LEU A 56 0.982 2.671 -8.750 1.00 0.00 C ATOM 0 H LEU A 56 1.351 5.467 -8.967 1.00 0.00 H new ATOM 0 HA LEU A 56 2.705 4.456 -6.558 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.155 4.129 -9.541 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.284 3.541 -8.336 1.00 0.00 H new ATOM 0 HG LEU A 56 2.859 1.746 -9.163 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.044 0.890 -7.002 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.660 1.622 -6.855 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.225 2.513 -6.296 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.442 1.727 -8.681 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.561 3.383 -8.039 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.888 3.069 -9.760 1.00 0.00 H new ATOM 822 N ARG A 57 4.283 6.341 -6.351 1.00 0.00 N ATOM 823 CA ARG A 57 5.280 7.393 -6.198 1.00 0.00 C ATOM 824 C ARG A 57 6.425 6.930 -5.301 1.00 0.00 C ATOM 825 O ARG A 57 6.236 6.699 -4.108 1.00 0.00 O ATOM 826 CB ARG A 57 4.638 8.653 -5.613 1.00 0.00 C ATOM 827 CG ARG A 57 5.310 9.941 -6.059 1.00 0.00 C ATOM 828 CD ARG A 57 4.967 11.097 -5.132 1.00 0.00 C ATOM 829 NE ARG A 57 5.771 12.283 -5.415 1.00 0.00 N ATOM 830 CZ ARG A 57 5.566 13.079 -6.459 1.00 0.00 C ATOM 831 NH1 ARG A 57 4.588 12.817 -7.314 1.00 0.00 N ATOM 832 NH2 ARG A 57 6.341 14.139 -6.648 1.00 0.00 N ATOM 0 H ARG A 57 3.974 5.921 -5.474 1.00 0.00 H new ATOM 0 HA ARG A 57 5.683 7.623 -7.184 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.587 8.683 -5.901 1.00 0.00 H new ATOM 0 HB3 ARG A 57 4.669 8.595 -4.525 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.391 9.800 -6.082 1.00 0.00 H new ATOM 0 HG3 ARG A 57 4.998 10.183 -7.075 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.910 11.343 -5.235 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.124 10.791 -4.098 1.00 0.00 H new ATOM 0 HE ARG A 57 6.532 12.513 -4.776 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.990 12.003 -7.171 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.433 13.430 -8.115 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.095 14.343 -5.992 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.183 14.750 -7.450 1.00 0.00 H new ATOM 846 N GLN A 58 7.611 6.796 -5.886 1.00 0.00 N ATOM 847 CA GLN A 58 8.785 6.360 -5.140 1.00 0.00 C ATOM 848 C GLN A 58 9.759 7.515 -4.932 1.00 0.00 C ATOM 849 O GLN A 58 10.033 8.281 -5.856 1.00 0.00 O ATOM 850 CB GLN A 58 9.484 5.214 -5.874 1.00 0.00 C ATOM 851 CG GLN A 58 10.365 4.363 -4.974 1.00 0.00 C ATOM 852 CD GLN A 58 11.777 4.903 -4.859 1.00 0.00 C ATOM 853 OE1 GLN A 58 11.994 6.115 -4.881 1.00 0.00 O ATOM 854 NE2 GLN A 58 12.747 4.004 -4.736 1.00 0.00 N ATOM 0 H GLN A 58 7.784 6.983 -6.874 1.00 0.00 H new ATOM 0 HA GLN A 58 8.453 6.009 -4.163 1.00 0.00 H new ATOM 0 HB2 GLN A 58 8.730 4.578 -6.338 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.092 5.627 -6.679 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.919 4.309 -3.981 1.00 0.00 H new ATOM 0 HG3 GLN A 58 10.400 3.345 -5.363 1.00 0.00 H new ATOM 0 HE21 GLN A 58 12.522 3.009 -4.722 1.00 0.00 H new ATOM 0 HE22 GLN A 58 13.717 4.308 -4.655 1.00 0.00 H new ATOM 863 N GLU A 59 10.276 7.634 -3.714 1.00 0.00 N ATOM 864 CA GLU A 59 11.218 8.698 -3.385 1.00 0.00 C ATOM 865 C GLU A 59 12.408 8.149 -2.602 1.00 0.00 C ATOM 866 O GLU A 59 12.465 8.263 -1.379 1.00 0.00 O ATOM 867 CB GLU A 59 10.523 9.794 -2.575 1.00 0.00 C ATOM 868 CG GLU A 59 11.173 11.160 -2.715 1.00 0.00 C ATOM 869 CD GLU A 59 10.915 12.054 -1.518 1.00 0.00 C ATOM 870 OE1 GLU A 59 11.695 11.985 -0.546 1.00 0.00 O ATOM 871 OE2 GLU A 59 9.932 12.824 -1.554 1.00 0.00 O ATOM 0 H GLU A 59 10.059 7.008 -2.939 1.00 0.00 H new ATOM 0 HA GLU A 59 11.585 9.124 -4.319 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.482 9.862 -2.891 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.519 9.509 -1.523 1.00 0.00 H new ATOM 0 HG2 GLU A 59 12.248 11.035 -2.845 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.797 11.647 -3.615 1.00 0.00 H new ATOM 878 N GLY A 60 13.355 7.551 -3.319 1.00 0.00 N ATOM 879 CA GLY A 60 14.530 6.993 -2.675 1.00 0.00 C ATOM 880 C GLY A 60 14.207 6.336 -1.348 1.00 0.00 C ATOM 881 O GLY A 60 14.199 6.994 -0.308 1.00 0.00 O ATOM 0 H GLY A 60 13.330 7.443 -4.333 1.00 0.00 H new ATOM 0 HA2 GLY A 60 14.990 6.260 -3.338 1.00 0.00 H new ATOM 0 HA3 GLY A 60 15.264 7.784 -2.516 1.00 0.00 H new ATOM 885 N ALA A 61 13.938 5.035 -1.383 1.00 0.00 N ATOM 886 CA ALA A 61 13.613 4.289 -0.174 1.00 0.00 C ATOM 887 C ALA A 61 12.299 4.770 0.432 1.00 0.00 C ATOM 888 O ALA A 61 12.140 4.798 1.652 1.00 0.00 O ATOM 889 CB ALA A 61 14.740 4.412 0.841 1.00 0.00 C ATOM 0 H ALA A 61 13.939 4.476 -2.236 1.00 0.00 H new ATOM 0 HA ALA A 61 13.495 3.240 -0.445 1.00 0.00 H new ATOM 0 HB1 ALA A 61 14.484 3.850 1.739 1.00 0.00 H new ATOM 0 HB2 ALA A 61 15.660 4.013 0.413 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.885 5.461 1.099 1.00 0.00 H new ATOM 895 N MET A 62 11.360 5.149 -0.429 1.00 0.00 N ATOM 896 CA MET A 62 10.059 5.629 0.022 1.00 0.00 C ATOM 897 C MET A 62 8.951 5.155 -0.913 1.00 0.00 C ATOM 898 O MET A 62 8.977 5.430 -2.113 1.00 0.00 O ATOM 899 CB MET A 62 10.055 7.157 0.103 1.00 0.00 C ATOM 900 CG MET A 62 8.873 7.722 0.873 1.00 0.00 C ATOM 901 SD MET A 62 7.438 8.021 -0.177 1.00 0.00 S ATOM 902 CE MET A 62 7.377 9.811 -0.165 1.00 0.00 C ATOM 0 H MET A 62 11.476 5.133 -1.442 1.00 0.00 H new ATOM 0 HA MET A 62 9.873 5.219 1.015 1.00 0.00 H new ATOM 0 HB2 MET A 62 10.979 7.490 0.576 1.00 0.00 H new ATOM 0 HB3 MET A 62 10.049 7.566 -0.907 1.00 0.00 H new ATOM 0 HG2 MET A 62 8.598 7.029 1.668 1.00 0.00 H new ATOM 0 HG3 MET A 62 9.169 8.656 1.351 1.00 0.00 H new ATOM 0 HE1 MET A 62 6.539 10.151 -0.773 1.00 0.00 H new ATOM 0 HE2 MET A 62 7.249 10.164 0.858 1.00 0.00 H new ATOM 0 HE3 MET A 62 8.306 10.209 -0.573 1.00 0.00 H new ATOM 912 N LEU A 63 7.978 4.442 -0.356 1.00 0.00 N ATOM 913 CA LEU A 63 6.860 3.930 -1.140 1.00 0.00 C ATOM 914 C LEU A 63 5.609 4.776 -0.924 1.00 0.00 C ATOM 915 O LEU A 63 5.428 5.372 0.138 1.00 0.00 O ATOM 916 CB LEU A 63 6.574 2.474 -0.767 1.00 0.00 C ATOM 917 CG LEU A 63 7.610 1.447 -1.228 1.00 0.00 C ATOM 918 CD1 LEU A 63 8.010 1.705 -2.673 1.00 0.00 C ATOM 919 CD2 LEU A 63 8.831 1.476 -0.321 1.00 0.00 C ATOM 0 H LEU A 63 7.941 4.205 0.636 1.00 0.00 H new ATOM 0 HA LEU A 63 7.134 3.983 -2.194 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.484 2.409 0.317 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.606 2.196 -1.184 1.00 0.00 H new ATOM 0 HG LEU A 63 7.162 0.455 -1.168 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.747 0.965 -2.984 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.130 1.632 -3.313 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.439 2.703 -2.759 1.00 0.00 H new ATOM 0 HD21 LEU A 63 9.557 0.739 -0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.281 2.468 -0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.531 1.241 0.700 1.00 0.00 H new ATOM 931 N GLU A 64 4.750 4.823 -1.937 1.00 0.00 N ATOM 932 CA GLU A 64 3.516 5.595 -1.856 1.00 0.00 C ATOM 933 C GLU A 64 2.472 5.056 -2.829 1.00 0.00 C ATOM 934 O GLU A 64 2.599 5.214 -4.044 1.00 0.00 O ATOM 935 CB GLU A 64 3.792 7.071 -2.152 1.00 0.00 C ATOM 936 CG GLU A 64 2.768 8.015 -1.544 1.00 0.00 C ATOM 937 CD GLU A 64 2.877 9.425 -2.094 1.00 0.00 C ATOM 938 OE1 GLU A 64 2.311 9.683 -3.177 1.00 0.00 O ATOM 939 OE2 GLU A 64 3.526 10.268 -1.442 1.00 0.00 O ATOM 0 H GLU A 64 4.886 4.336 -2.823 1.00 0.00 H new ATOM 0 HA GLU A 64 3.125 5.502 -0.843 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.781 7.330 -1.775 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.814 7.219 -3.232 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.766 7.631 -1.735 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.899 8.040 -0.462 1.00 0.00 H new ATOM 946 N LEU A 65 1.439 4.420 -2.287 1.00 0.00 N ATOM 947 CA LEU A 65 0.372 3.856 -3.107 1.00 0.00 C ATOM 948 C LEU A 65 -0.992 4.354 -2.642 1.00 0.00 C ATOM 949 O LEU A 65 -1.466 3.986 -1.567 1.00 0.00 O ATOM 950 CB LEU A 65 0.415 2.328 -3.055 1.00 0.00 C ATOM 951 CG LEU A 65 -0.732 1.600 -3.757 1.00 0.00 C ATOM 952 CD1 LEU A 65 -0.412 1.394 -5.229 1.00 0.00 C ATOM 953 CD2 LEU A 65 -1.012 0.267 -3.079 1.00 0.00 C ATOM 0 H LEU A 65 1.318 4.282 -1.284 1.00 0.00 H new ATOM 0 HA LEU A 65 0.526 4.182 -4.135 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.354 1.996 -3.497 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.428 2.020 -2.009 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.627 2.217 -3.684 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.240 0.874 -5.712 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.262 2.362 -5.708 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.496 0.798 -5.324 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.831 -0.237 -3.592 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.119 -0.357 -3.120 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.287 0.439 -2.038 1.00 0.00 H new ATOM 965 N VAL A 66 -1.621 5.192 -3.460 1.00 0.00 N ATOM 966 CA VAL A 66 -2.933 5.738 -3.134 1.00 0.00 C ATOM 967 C VAL A 66 -4.044 4.931 -3.795 1.00 0.00 C ATOM 968 O VAL A 66 -3.918 4.504 -4.943 1.00 0.00 O ATOM 969 CB VAL A 66 -3.053 7.210 -3.572 1.00 0.00 C ATOM 970 CG1 VAL A 66 -4.339 7.823 -3.038 1.00 0.00 C ATOM 971 CG2 VAL A 66 -1.841 8.004 -3.108 1.00 0.00 C ATOM 0 H VAL A 66 -1.243 5.508 -4.353 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.040 5.679 -2.051 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.087 7.246 -4.661 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.406 8.863 -3.357 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.194 7.269 -3.424 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.339 7.777 -1.949 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.942 9.042 -3.426 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.773 7.963 -2.021 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.938 7.577 -3.544 1.00 0.00 H new ATOM 981 N VAL A 67 -5.135 4.724 -3.063 1.00 0.00 N ATOM 982 CA VAL A 67 -6.270 3.969 -3.579 1.00 0.00 C ATOM 983 C VAL A 67 -7.578 4.717 -3.350 1.00 0.00 C ATOM 984 O VAL A 67 -8.077 4.785 -2.226 1.00 0.00 O ATOM 985 CB VAL A 67 -6.364 2.579 -2.922 1.00 0.00 C ATOM 986 CG1 VAL A 67 -7.478 1.761 -3.558 1.00 0.00 C ATOM 987 CG2 VAL A 67 -5.033 1.850 -3.023 1.00 0.00 C ATOM 0 H VAL A 67 -5.256 5.069 -2.111 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.108 3.847 -4.650 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.600 2.712 -1.866 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.529 0.782 -3.081 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.429 2.278 -3.428 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.276 1.636 -4.622 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.118 0.870 -2.554 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.764 1.728 -4.072 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.261 2.429 -2.516 1.00 0.00 H new ATOM 997 N ARG A 68 -8.129 5.277 -4.422 1.00 0.00 N ATOM 998 CA ARG A 68 -9.379 6.022 -4.337 1.00 0.00 C ATOM 999 C ARG A 68 -10.578 5.086 -4.455 1.00 0.00 C ATOM 1000 O ARG A 68 -10.428 3.904 -4.759 1.00 0.00 O ATOM 1001 CB ARG A 68 -9.439 7.086 -5.435 1.00 0.00 C ATOM 1002 CG ARG A 68 -8.216 7.988 -5.476 1.00 0.00 C ATOM 1003 CD ARG A 68 -8.158 8.789 -6.767 1.00 0.00 C ATOM 1004 NE ARG A 68 -7.224 9.908 -6.676 1.00 0.00 N ATOM 1005 CZ ARG A 68 -7.076 10.822 -7.628 1.00 0.00 C ATOM 1006 NH1 ARG A 68 -7.799 10.751 -8.738 1.00 0.00 N ATOM 1007 NH2 ARG A 68 -6.205 11.810 -7.472 1.00 0.00 N ATOM 0 H ARG A 68 -7.729 5.229 -5.359 1.00 0.00 H new ATOM 0 HA ARG A 68 -9.416 6.512 -3.364 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -9.549 6.593 -6.401 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -10.328 7.699 -5.287 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.236 8.669 -4.625 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.314 7.384 -5.380 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.861 8.135 -7.586 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.153 9.166 -7.005 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.654 9.992 -5.835 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.470 9.993 -8.862 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.683 11.454 -9.468 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.648 11.869 -6.620 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.093 12.511 -8.204 1.00 0.00 H new ATOM 1021 N ASN A 69 -11.769 5.625 -4.212 1.00 0.00 N ATOM 1022 CA ASN A 69 -12.994 4.837 -4.290 1.00 0.00 C ATOM 1023 C ASN A 69 -12.929 3.635 -3.353 1.00 0.00 C ATOM 1024 O ASN A 69 -13.129 2.495 -3.773 1.00 0.00 O ATOM 1025 CB ASN A 69 -13.232 4.367 -5.726 1.00 0.00 C ATOM 1026 CG ASN A 69 -13.487 5.520 -6.678 1.00 0.00 C ATOM 1027 OD1 ASN A 69 -13.164 6.669 -6.378 1.00 0.00 O ATOM 1028 ND2 ASN A 69 -14.070 5.216 -7.832 1.00 0.00 N ATOM 0 H ASN A 69 -11.912 6.603 -3.960 1.00 0.00 H new ATOM 0 HA ASN A 69 -13.825 5.471 -3.980 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.365 3.802 -6.069 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -14.084 3.688 -5.746 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -14.267 5.950 -8.512 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -14.320 4.249 -8.038 1.00 0.00 H new ATOM 1035 N LEU A 70 -12.648 3.898 -2.081 1.00 0.00 N ATOM 1036 CA LEU A 70 -12.557 2.838 -1.083 1.00 0.00 C ATOM 1037 C LEU A 70 -13.913 2.174 -0.868 1.00 0.00 C ATOM 1038 O LEU A 70 -14.926 2.618 -1.410 1.00 0.00 O ATOM 1039 CB LEU A 70 -12.036 3.400 0.241 1.00 0.00 C ATOM 1040 CG LEU A 70 -10.519 3.385 0.426 1.00 0.00 C ATOM 1041 CD1 LEU A 70 -10.115 4.264 1.599 1.00 0.00 C ATOM 1042 CD2 LEU A 70 -10.020 1.961 0.627 1.00 0.00 C ATOM 0 H LEU A 70 -12.479 4.836 -1.717 1.00 0.00 H new ATOM 0 HA LEU A 70 -11.859 2.086 -1.451 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.383 4.429 0.338 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.487 2.833 1.056 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.059 3.786 -0.477 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.031 4.241 1.715 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.438 5.288 1.414 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -10.585 3.894 2.510 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.938 1.970 0.757 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.489 1.533 1.513 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.276 1.359 -0.245 1.00 0.00 H new ATOM 1054 N ARG A 71 -13.926 1.109 -0.073 1.00 0.00 N ATOM 1055 CA ARG A 71 -15.158 0.385 0.214 1.00 0.00 C ATOM 1056 C ARG A 71 -14.919 -0.703 1.257 1.00 0.00 C ATOM 1057 O ARG A 71 -13.845 -1.300 1.332 1.00 0.00 O ATOM 1058 CB ARG A 71 -15.720 -0.236 -1.066 1.00 0.00 C ATOM 1059 CG ARG A 71 -14.649 -0.722 -2.028 1.00 0.00 C ATOM 1060 CD ARG A 71 -15.196 -1.764 -2.991 1.00 0.00 C ATOM 1061 NE ARG A 71 -16.281 -1.234 -3.813 1.00 0.00 N ATOM 1062 CZ ARG A 71 -17.170 -1.998 -4.438 1.00 0.00 C ATOM 1063 NH1 ARG A 71 -17.104 -3.318 -4.335 1.00 0.00 N ATOM 1064 NH2 ARG A 71 -18.128 -1.441 -5.167 1.00 0.00 N ATOM 0 H ARG A 71 -13.097 0.729 0.384 1.00 0.00 H new ATOM 0 HA ARG A 71 -15.882 1.095 0.614 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -16.365 -1.074 -0.801 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -16.345 0.500 -1.573 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -14.254 0.123 -2.591 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -13.818 -1.146 -1.465 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -14.392 -2.118 -3.636 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -15.556 -2.625 -2.428 1.00 0.00 H new ATOM 0 HE ARG A 71 -16.360 -0.222 -3.913 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -16.369 -3.750 -3.775 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -17.788 -3.902 -4.816 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -18.182 -0.426 -5.248 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -18.810 -2.028 -5.647 1.00 0.00 H new ATOM 1078 N PRO A 72 -15.942 -0.967 2.083 1.00 0.00 N ATOM 1079 CA PRO A 72 -15.868 -1.984 3.136 1.00 0.00 C ATOM 1080 C PRO A 72 -15.828 -3.400 2.574 1.00 0.00 C ATOM 1081 O PRO A 72 -15.647 -4.367 3.314 1.00 0.00 O ATOM 1082 CB PRO A 72 -17.154 -1.762 3.935 1.00 0.00 C ATOM 1083 CG PRO A 72 -18.097 -1.134 2.968 1.00 0.00 C ATOM 1084 CD PRO A 72 -17.252 -0.295 2.051 1.00 0.00 C ATOM 0 HA PRO A 72 -14.959 -1.889 3.730 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -17.549 -2.703 4.319 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -16.979 -1.115 4.795 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -18.645 -1.892 2.409 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -18.837 -0.523 3.485 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -17.663 -0.264 1.042 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -17.183 0.736 2.399 1.00 0.00 H new ATOM 1092 N GLN A 73 -15.997 -3.515 1.260 1.00 0.00 N ATOM 1093 CA GLN A 73 -15.980 -4.815 0.599 1.00 0.00 C ATOM 1094 C GLN A 73 -14.556 -5.225 0.241 1.00 0.00 C ATOM 1095 O GLN A 73 -14.284 -6.398 -0.017 1.00 0.00 O ATOM 1096 CB GLN A 73 -16.847 -4.781 -0.661 1.00 0.00 C ATOM 1097 CG GLN A 73 -18.338 -4.730 -0.373 1.00 0.00 C ATOM 1098 CD GLN A 73 -18.707 -5.433 0.919 1.00 0.00 C ATOM 1099 OE1 GLN A 73 -19.020 -4.790 1.921 1.00 0.00 O ATOM 1100 NE2 GLN A 73 -18.673 -6.760 0.901 1.00 0.00 N ATOM 0 H GLN A 73 -16.147 -2.725 0.633 1.00 0.00 H new ATOM 0 HA GLN A 73 -16.387 -5.552 1.291 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -16.571 -3.912 -1.258 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -16.632 -5.663 -1.264 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -18.659 -3.690 -0.321 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -18.880 -5.189 -1.200 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -18.408 -7.252 0.048 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -18.912 -7.288 1.740 1.00 0.00 H new ATOM 1109 N ASP A 74 -13.651 -4.252 0.226 1.00 0.00 N ATOM 1110 CA ASP A 74 -12.254 -4.512 -0.100 1.00 0.00 C ATOM 1111 C ASP A 74 -11.454 -4.839 1.157 1.00 0.00 C ATOM 1112 O ASP A 74 -10.264 -5.146 1.086 1.00 0.00 O ATOM 1113 CB ASP A 74 -11.641 -3.304 -0.810 1.00 0.00 C ATOM 1114 CG ASP A 74 -11.830 -3.359 -2.313 1.00 0.00 C ATOM 1115 OD1 ASP A 74 -12.696 -4.131 -2.774 1.00 0.00 O ATOM 1116 OD2 ASP A 74 -11.112 -2.629 -3.029 1.00 0.00 O ATOM 0 H ASP A 74 -13.860 -3.276 0.436 1.00 0.00 H new ATOM 0 HA ASP A 74 -12.216 -5.373 -0.767 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -12.093 -2.391 -0.423 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.576 -3.254 -0.582 1.00 0.00 H new ATOM 1121 N SER A 75 -12.116 -4.771 2.308 1.00 0.00 N ATOM 1122 CA SER A 75 -11.465 -5.055 3.582 1.00 0.00 C ATOM 1123 C SER A 75 -10.454 -6.188 3.435 1.00 0.00 C ATOM 1124 O SER A 75 -10.826 -7.352 3.293 1.00 0.00 O ATOM 1125 CB SER A 75 -12.508 -5.420 4.641 1.00 0.00 C ATOM 1126 OG SER A 75 -13.260 -4.284 5.029 1.00 0.00 O ATOM 0 H SER A 75 -13.102 -4.522 2.384 1.00 0.00 H new ATOM 0 HA SER A 75 -10.934 -4.157 3.899 1.00 0.00 H new ATOM 0 HB2 SER A 75 -13.177 -6.186 4.248 1.00 0.00 H new ATOM 0 HB3 SER A 75 -12.012 -5.847 5.513 1.00 0.00 H new ATOM 0 HG SER A 75 -14.081 -4.238 4.496 1.00 0.00 H new ATOM 1132 N GLY A 76 -9.172 -5.837 3.470 1.00 0.00 N ATOM 1133 CA GLY A 76 -8.126 -6.834 3.339 1.00 0.00 C ATOM 1134 C GLY A 76 -6.760 -6.293 3.711 1.00 0.00 C ATOM 1135 O GLY A 76 -6.640 -5.163 4.185 1.00 0.00 O ATOM 0 H GLY A 76 -8.839 -4.880 3.587 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.361 -7.688 3.974 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -8.102 -7.198 2.312 1.00 0.00 H new ATOM 1139 N ARG A 77 -5.727 -7.102 3.498 1.00 0.00 N ATOM 1140 CA ARG A 77 -4.363 -6.699 3.817 1.00 0.00 C ATOM 1141 C ARG A 77 -3.518 -6.592 2.550 1.00 0.00 C ATOM 1142 O ARG A 77 -3.625 -7.423 1.648 1.00 0.00 O ATOM 1143 CB ARG A 77 -3.726 -7.699 4.784 1.00 0.00 C ATOM 1144 CG ARG A 77 -3.033 -8.861 4.091 1.00 0.00 C ATOM 1145 CD ARG A 77 -4.034 -9.777 3.405 1.00 0.00 C ATOM 1146 NE ARG A 77 -5.076 -10.233 4.321 1.00 0.00 N ATOM 1147 CZ ARG A 77 -6.242 -10.727 3.920 1.00 0.00 C ATOM 1148 NH1 ARG A 77 -6.514 -10.827 2.626 1.00 0.00 N ATOM 1149 NH2 ARG A 77 -7.140 -11.121 4.814 1.00 0.00 N ATOM 0 H ARG A 77 -5.809 -8.040 3.106 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.402 -5.719 4.292 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.002 -7.176 5.409 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.497 -8.091 5.448 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -2.325 -8.478 3.356 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -2.458 -9.431 4.821 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.492 -9.251 2.568 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.512 -10.640 2.992 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.899 -10.169 5.323 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -5.827 -10.524 1.936 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -7.410 -11.207 2.321 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.935 -11.045 5.810 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -8.035 -11.500 4.505 1.00 0.00 H new ATOM 1163 N TYR A 78 -2.678 -5.564 2.491 1.00 0.00 N ATOM 1164 CA TYR A 78 -1.817 -5.347 1.335 1.00 0.00 C ATOM 1165 C TYR A 78 -0.374 -5.728 1.651 1.00 0.00 C ATOM 1166 O TYR A 78 0.200 -5.265 2.637 1.00 0.00 O ATOM 1167 CB TYR A 78 -1.885 -3.884 0.890 1.00 0.00 C ATOM 1168 CG TYR A 78 -3.257 -3.457 0.420 1.00 0.00 C ATOM 1169 CD1 TYR A 78 -4.344 -3.470 1.285 1.00 0.00 C ATOM 1170 CD2 TYR A 78 -3.465 -3.040 -0.889 1.00 0.00 C ATOM 1171 CE1 TYR A 78 -5.600 -3.081 0.859 1.00 0.00 C ATOM 1172 CE2 TYR A 78 -4.717 -2.648 -1.323 1.00 0.00 C ATOM 1173 CZ TYR A 78 -5.781 -2.671 -0.445 1.00 0.00 C ATOM 1174 OH TYR A 78 -7.030 -2.282 -0.873 1.00 0.00 O ATOM 0 H TYR A 78 -2.575 -4.869 3.230 1.00 0.00 H new ATOM 0 HA TYR A 78 -2.172 -5.983 0.524 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -1.580 -3.246 1.719 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -1.168 -3.724 0.084 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -4.205 -3.789 2.307 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -2.634 -3.022 -1.579 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -6.435 -3.098 1.544 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -4.862 -2.326 -2.344 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.422 -2.990 -1.425 1.00 0.00 H new ATOM 1184 N SER A 79 0.206 -6.574 0.806 1.00 0.00 N ATOM 1185 CA SER A 79 1.581 -7.021 0.995 1.00 0.00 C ATOM 1186 C SER A 79 2.487 -6.470 -0.101 1.00 0.00 C ATOM 1187 O SER A 79 2.130 -6.479 -1.280 1.00 0.00 O ATOM 1188 CB SER A 79 1.646 -8.549 1.006 1.00 0.00 C ATOM 1189 OG SER A 79 2.986 -9.002 1.098 1.00 0.00 O ATOM 0 H SER A 79 -0.255 -6.964 -0.016 1.00 0.00 H new ATOM 0 HA SER A 79 1.931 -6.643 1.956 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.070 -8.935 1.847 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.187 -8.942 0.099 1.00 0.00 H new ATOM 0 HG SER A 79 3.000 -9.982 1.105 1.00 0.00 H new ATOM 1195 N CYS A 80 3.661 -5.990 0.295 1.00 0.00 N ATOM 1196 CA CYS A 80 4.619 -5.433 -0.653 1.00 0.00 C ATOM 1197 C CYS A 80 5.893 -6.271 -0.693 1.00 0.00 C ATOM 1198 O CYS A 80 6.561 -6.453 0.325 1.00 0.00 O ATOM 1199 CB CYS A 80 4.956 -3.988 -0.280 1.00 0.00 C ATOM 1200 SG CYS A 80 6.194 -3.220 -1.351 1.00 0.00 S ATOM 0 H CYS A 80 3.972 -5.975 1.266 1.00 0.00 H new ATOM 0 HA CYS A 80 4.164 -5.448 -1.643 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.043 -3.393 -0.313 1.00 0.00 H new ATOM 0 HB3 CYS A 80 5.316 -3.964 0.749 1.00 0.00 H new ATOM 0 HG CYS A 80 6.411 -2.000 -0.958 1.00 0.00 H new ATOM 1206 N SER A 81 6.223 -6.779 -1.876 1.00 0.00 N ATOM 1207 CA SER A 81 7.414 -7.603 -2.048 1.00 0.00 C ATOM 1208 C SER A 81 8.643 -6.735 -2.299 1.00 0.00 C ATOM 1209 O SER A 81 8.574 -5.729 -3.005 1.00 0.00 O ATOM 1210 CB SER A 81 7.221 -8.580 -3.210 1.00 0.00 C ATOM 1211 OG SER A 81 6.917 -7.891 -4.411 1.00 0.00 O ATOM 0 H SER A 81 5.683 -6.635 -2.729 1.00 0.00 H new ATOM 0 HA SER A 81 7.570 -8.168 -1.129 1.00 0.00 H new ATOM 0 HB2 SER A 81 8.126 -9.172 -3.346 1.00 0.00 H new ATOM 0 HB3 SER A 81 6.417 -9.277 -2.973 1.00 0.00 H new ATOM 0 HG SER A 81 6.563 -7.002 -4.198 1.00 0.00 H new ATOM 1217 N PHE A 82 9.769 -7.131 -1.714 1.00 0.00 N ATOM 1218 CA PHE A 82 11.015 -6.390 -1.872 1.00 0.00 C ATOM 1219 C PHE A 82 12.209 -7.234 -1.437 1.00 0.00 C ATOM 1220 O PHE A 82 12.418 -7.466 -0.247 1.00 0.00 O ATOM 1221 CB PHE A 82 10.968 -5.094 -1.059 1.00 0.00 C ATOM 1222 CG PHE A 82 11.795 -3.987 -1.648 1.00 0.00 C ATOM 1223 CD1 PHE A 82 11.665 -3.644 -2.985 1.00 0.00 C ATOM 1224 CD2 PHE A 82 12.701 -3.290 -0.866 1.00 0.00 C ATOM 1225 CE1 PHE A 82 12.424 -2.625 -3.530 1.00 0.00 C ATOM 1226 CE2 PHE A 82 13.462 -2.270 -1.406 1.00 0.00 C ATOM 1227 CZ PHE A 82 13.324 -1.938 -2.739 1.00 0.00 C ATOM 0 H PHE A 82 9.844 -7.961 -1.126 1.00 0.00 H new ATOM 0 HA PHE A 82 11.132 -6.145 -2.928 1.00 0.00 H new ATOM 0 HB2 PHE A 82 9.933 -4.761 -0.980 1.00 0.00 H new ATOM 0 HB3 PHE A 82 11.316 -5.297 -0.046 1.00 0.00 H new ATOM 0 HD1 PHE A 82 10.963 -4.179 -3.608 1.00 0.00 H new ATOM 0 HD2 PHE A 82 12.814 -3.546 0.177 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.313 -2.367 -4.573 1.00 0.00 H new ATOM 0 HE2 PHE A 82 14.164 -1.733 -0.785 1.00 0.00 H new ATOM 0 HZ PHE A 82 13.919 -1.142 -3.163 1.00 0.00 H new ATOM 1237 N GLY A 83 12.990 -7.692 -2.411 1.00 0.00 N ATOM 1238 CA GLY A 83 14.152 -8.506 -2.110 1.00 0.00 C ATOM 1239 C GLY A 83 13.780 -9.901 -1.649 1.00 0.00 C ATOM 1240 O GLY A 83 13.360 -10.735 -2.451 1.00 0.00 O ATOM 0 H GLY A 83 12.838 -7.513 -3.404 1.00 0.00 H new ATOM 0 HA2 GLY A 83 14.782 -8.576 -2.997 1.00 0.00 H new ATOM 0 HA3 GLY A 83 14.744 -8.017 -1.336 1.00 0.00 H new ATOM 1244 N ASP A 84 13.935 -10.156 -0.354 1.00 0.00 N ATOM 1245 CA ASP A 84 13.613 -11.460 0.212 1.00 0.00 C ATOM 1246 C ASP A 84 12.557 -11.332 1.306 1.00 0.00 C ATOM 1247 O ASP A 84 11.785 -12.259 1.547 1.00 0.00 O ATOM 1248 CB ASP A 84 14.872 -12.121 0.776 1.00 0.00 C ATOM 1249 CG ASP A 84 14.637 -13.562 1.185 1.00 0.00 C ATOM 1250 OD1 ASP A 84 14.224 -13.790 2.341 1.00 0.00 O ATOM 1251 OD2 ASP A 84 14.866 -14.461 0.348 1.00 0.00 O ATOM 0 H ASP A 84 14.282 -9.476 0.323 1.00 0.00 H new ATOM 0 HA ASP A 84 13.211 -12.085 -0.585 1.00 0.00 H new ATOM 0 HB2 ASP A 84 15.664 -12.083 0.028 1.00 0.00 H new ATOM 0 HB3 ASP A 84 15.221 -11.554 1.639 1.00 0.00 H new ATOM 1256 N GLN A 85 12.532 -10.177 1.964 1.00 0.00 N ATOM 1257 CA GLN A 85 11.572 -9.929 3.033 1.00 0.00 C ATOM 1258 C GLN A 85 10.286 -9.322 2.481 1.00 0.00 C ATOM 1259 O GLN A 85 10.291 -8.684 1.427 1.00 0.00 O ATOM 1260 CB GLN A 85 12.178 -8.999 4.085 1.00 0.00 C ATOM 1261 CG GLN A 85 13.143 -9.697 5.030 1.00 0.00 C ATOM 1262 CD GLN A 85 12.436 -10.392 6.178 1.00 0.00 C ATOM 1263 OE1 GLN A 85 12.603 -11.594 6.388 1.00 0.00 O ATOM 1264 NE2 GLN A 85 11.640 -9.638 6.927 1.00 0.00 N ATOM 0 H GLN A 85 13.165 -9.399 1.776 1.00 0.00 H new ATOM 0 HA GLN A 85 11.330 -10.885 3.498 1.00 0.00 H new ATOM 0 HB2 GLN A 85 12.700 -8.186 3.581 1.00 0.00 H new ATOM 0 HB3 GLN A 85 11.374 -8.549 4.667 1.00 0.00 H new ATOM 0 HG2 GLN A 85 13.727 -10.429 4.472 1.00 0.00 H new ATOM 0 HG3 GLN A 85 13.846 -8.966 5.430 1.00 0.00 H new ATOM 0 HE21 GLN A 85 11.531 -8.646 6.717 1.00 0.00 H new ATOM 0 HE22 GLN A 85 11.137 -10.051 7.713 1.00 0.00 H new ATOM 1273 N THR A 86 9.186 -9.525 3.198 1.00 0.00 N ATOM 1274 CA THR A 86 7.893 -8.999 2.780 1.00 0.00 C ATOM 1275 C THR A 86 7.074 -8.533 3.978 1.00 0.00 C ATOM 1276 O THR A 86 7.166 -9.103 5.066 1.00 0.00 O ATOM 1277 CB THR A 86 7.084 -10.052 1.999 1.00 0.00 C ATOM 1278 OG1 THR A 86 7.877 -10.586 0.933 1.00 0.00 O ATOM 1279 CG2 THR A 86 5.809 -9.445 1.434 1.00 0.00 C ATOM 0 H THR A 86 9.165 -10.051 4.072 1.00 0.00 H new ATOM 0 HA THR A 86 8.095 -8.149 2.129 1.00 0.00 H new ATOM 0 HB THR A 86 6.812 -10.853 2.686 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.357 -11.256 0.442 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.255 -10.207 0.887 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.194 -9.065 2.250 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.063 -8.627 0.760 1.00 0.00 H new ATOM 1287 N THR A 87 6.272 -7.493 3.773 1.00 0.00 N ATOM 1288 CA THR A 87 5.437 -6.950 4.837 1.00 0.00 C ATOM 1289 C THR A 87 3.988 -6.817 4.385 1.00 0.00 C ATOM 1290 O THR A 87 3.715 -6.531 3.220 1.00 0.00 O ATOM 1291 CB THR A 87 5.946 -5.572 5.303 1.00 0.00 C ATOM 1292 OG1 THR A 87 5.174 -5.117 6.420 1.00 0.00 O ATOM 1293 CG2 THR A 87 5.865 -4.555 4.175 1.00 0.00 C ATOM 0 H THR A 87 6.183 -7.010 2.879 1.00 0.00 H new ATOM 0 HA THR A 87 5.492 -7.650 5.670 1.00 0.00 H new ATOM 0 HB THR A 87 6.989 -5.676 5.601 1.00 0.00 H new ATOM 0 HG1 THR A 87 4.616 -4.359 6.145 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.230 -3.590 4.528 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.478 -4.890 3.338 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.830 -4.454 3.849 1.00 0.00 H new ATOM 1301 N SER A 88 3.061 -7.025 5.315 1.00 0.00 N ATOM 1302 CA SER A 88 1.638 -6.931 5.011 1.00 0.00 C ATOM 1303 C SER A 88 0.893 -6.195 6.120 1.00 0.00 C ATOM 1304 O SER A 88 1.198 -6.357 7.301 1.00 0.00 O ATOM 1305 CB SER A 88 1.043 -8.328 4.821 1.00 0.00 C ATOM 1306 OG SER A 88 1.309 -9.153 5.942 1.00 0.00 O ATOM 0 H SER A 88 3.270 -7.260 6.285 1.00 0.00 H new ATOM 0 HA SER A 88 1.525 -6.366 4.085 1.00 0.00 H new ATOM 0 HB2 SER A 88 -0.034 -8.251 4.670 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.459 -8.785 3.923 1.00 0.00 H new ATOM 0 HG SER A 88 0.917 -10.039 5.796 1.00 0.00 H new ATOM 1312 N ALA A 89 -0.086 -5.385 5.730 1.00 0.00 N ATOM 1313 CA ALA A 89 -0.876 -4.624 6.690 1.00 0.00 C ATOM 1314 C ALA A 89 -2.355 -4.637 6.316 1.00 0.00 C ATOM 1315 O ALA A 89 -2.709 -4.590 5.137 1.00 0.00 O ATOM 1316 CB ALA A 89 -0.365 -3.194 6.779 1.00 0.00 C ATOM 0 H ALA A 89 -0.351 -5.239 4.756 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.770 -5.097 7.666 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -0.964 -2.638 7.500 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.677 -3.199 7.100 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.440 -2.719 5.801 1.00 0.00 H new ATOM 1322 N THR A 90 -3.216 -4.703 7.327 1.00 0.00 N ATOM 1323 CA THR A 90 -4.656 -4.724 7.104 1.00 0.00 C ATOM 1324 C THR A 90 -5.213 -3.311 6.977 1.00 0.00 C ATOM 1325 O THR A 90 -4.724 -2.380 7.618 1.00 0.00 O ATOM 1326 CB THR A 90 -5.390 -5.453 8.245 1.00 0.00 C ATOM 1327 OG1 THR A 90 -5.076 -6.850 8.216 1.00 0.00 O ATOM 1328 CG2 THR A 90 -6.895 -5.264 8.128 1.00 0.00 C ATOM 0 H THR A 90 -2.941 -4.743 8.308 1.00 0.00 H new ATOM 0 HA THR A 90 -4.824 -5.263 6.171 1.00 0.00 H new ATOM 0 HB THR A 90 -5.059 -5.026 9.192 1.00 0.00 H new ATOM 0 HG1 THR A 90 -5.545 -7.306 8.946 1.00 0.00 H new ATOM 0 HG21 THR A 90 -7.392 -5.788 8.945 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.133 -4.202 8.180 1.00 0.00 H new ATOM 0 HG23 THR A 90 -7.239 -5.667 7.176 1.00 0.00 H new ATOM 1336 N LEU A 91 -6.240 -3.157 6.148 1.00 0.00 N ATOM 1337 CA LEU A 91 -6.865 -1.856 5.938 1.00 0.00 C ATOM 1338 C LEU A 91 -8.234 -1.796 6.609 1.00 0.00 C ATOM 1339 O LEU A 91 -9.088 -2.654 6.382 1.00 0.00 O ATOM 1340 CB LEU A 91 -7.005 -1.571 4.442 1.00 0.00 C ATOM 1341 CG LEU A 91 -7.765 -0.298 4.069 1.00 0.00 C ATOM 1342 CD1 LEU A 91 -7.196 0.901 4.812 1.00 0.00 C ATOM 1343 CD2 LEU A 91 -7.717 -0.069 2.566 1.00 0.00 C ATOM 0 H LEU A 91 -6.657 -3.917 5.611 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.226 -1.096 6.388 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.007 -1.514 4.008 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -7.507 -2.419 3.976 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.807 -0.421 4.364 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.750 1.798 4.534 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.284 0.739 5.886 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.146 1.027 4.549 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -8.263 0.841 2.319 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.680 0.032 2.246 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.174 -0.916 2.054 1.00 0.00 H new ATOM 1355 N THR A 92 -8.438 -0.774 7.435 1.00 0.00 N ATOM 1356 CA THR A 92 -9.703 -0.600 8.137 1.00 0.00 C ATOM 1357 C THR A 92 -10.601 0.398 7.415 1.00 0.00 C ATOM 1358 O THR A 92 -10.275 1.581 7.314 1.00 0.00 O ATOM 1359 CB THR A 92 -9.481 -0.120 9.584 1.00 0.00 C ATOM 1360 OG1 THR A 92 -8.586 -1.009 10.263 1.00 0.00 O ATOM 1361 CG2 THR A 92 -10.800 -0.046 10.338 1.00 0.00 C ATOM 0 H THR A 92 -7.743 -0.054 7.634 1.00 0.00 H new ATOM 0 HA THR A 92 -10.190 -1.575 8.156 1.00 0.00 H new ATOM 0 HB THR A 92 -9.044 0.878 9.550 1.00 0.00 H new ATOM 0 HG1 THR A 92 -8.449 -0.696 11.182 1.00 0.00 H new ATOM 0 HG21 THR A 92 -10.618 0.295 11.357 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.468 0.653 9.835 1.00 0.00 H new ATOM 0 HG23 THR A 92 -11.261 -1.034 10.363 1.00 0.00 H new ATOM 1369 N VAL A 93 -11.733 -0.085 6.914 1.00 0.00 N ATOM 1370 CA VAL A 93 -12.679 0.766 6.202 1.00 0.00 C ATOM 1371 C VAL A 93 -14.017 0.830 6.931 1.00 0.00 C ATOM 1372 O VAL A 93 -14.772 -0.142 6.954 1.00 0.00 O ATOM 1373 CB VAL A 93 -12.914 0.264 4.765 1.00 0.00 C ATOM 1374 CG1 VAL A 93 -13.865 1.192 4.024 1.00 0.00 C ATOM 1375 CG2 VAL A 93 -11.592 0.139 4.023 1.00 0.00 C ATOM 0 H VAL A 93 -12.018 -1.062 6.988 1.00 0.00 H new ATOM 0 HA VAL A 93 -12.241 1.763 6.164 1.00 0.00 H new ATOM 0 HB VAL A 93 -13.373 -0.724 4.813 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -14.019 0.821 3.011 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -14.821 1.227 4.547 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -13.437 2.194 3.983 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.776 -0.217 3.009 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -11.104 1.113 3.983 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -10.948 -0.569 4.545 1.00 0.00 H new ATOM 1385 N THR A 94 -14.305 1.983 7.528 1.00 0.00 N ATOM 1386 CA THR A 94 -15.551 2.175 8.258 1.00 0.00 C ATOM 1387 C THR A 94 -16.697 2.514 7.312 1.00 0.00 C ATOM 1388 O THR A 94 -16.515 3.245 6.339 1.00 0.00 O ATOM 1389 CB THR A 94 -15.419 3.294 9.309 1.00 0.00 C ATOM 1390 OG1 THR A 94 -14.232 3.100 10.085 1.00 0.00 O ATOM 1391 CG2 THR A 94 -16.633 3.321 10.226 1.00 0.00 C ATOM 0 H THR A 94 -13.691 2.798 7.520 1.00 0.00 H new ATOM 0 HA THR A 94 -15.769 1.235 8.764 1.00 0.00 H new ATOM 0 HB THR A 94 -15.358 4.248 8.786 1.00 0.00 H new ATOM 0 HG1 THR A 94 -14.155 3.816 10.749 1.00 0.00 H new ATOM 0 HG21 THR A 94 -16.517 4.119 10.960 1.00 0.00 H new ATOM 0 HG22 THR A 94 -17.531 3.499 9.635 1.00 0.00 H new ATOM 0 HG23 THR A 94 -16.721 2.364 10.741 1.00 0.00 H new ATOM 1399 N ALA A 95 -17.877 1.978 7.604 1.00 0.00 N ATOM 1400 CA ALA A 95 -19.054 2.227 6.780 1.00 0.00 C ATOM 1401 C ALA A 95 -19.719 3.546 7.156 1.00 0.00 C ATOM 1402 O ALA A 95 -20.262 3.690 8.253 1.00 0.00 O ATOM 1403 CB ALA A 95 -20.043 1.078 6.913 1.00 0.00 C ATOM 0 H ALA A 95 -18.044 1.369 8.405 1.00 0.00 H new ATOM 0 HA ALA A 95 -18.732 2.297 5.741 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -20.917 1.277 6.293 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -19.570 0.151 6.588 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -20.351 0.982 7.954 1.00 0.00 H new ATOM 1409 N LEU A 96 -19.673 4.508 6.241 1.00 0.00 N ATOM 1410 CA LEU A 96 -20.271 5.818 6.477 1.00 0.00 C ATOM 1411 C LEU A 96 -21.721 5.681 6.930 1.00 0.00 C ATOM 1412 O LEU A 96 -22.448 4.783 6.504 1.00 0.00 O ATOM 1413 CB LEU A 96 -20.199 6.669 5.209 1.00 0.00 C ATOM 1414 CG LEU A 96 -21.403 6.578 4.270 1.00 0.00 C ATOM 1415 CD1 LEU A 96 -22.561 7.405 4.806 1.00 0.00 C ATOM 1416 CD2 LEU A 96 -21.022 7.034 2.869 1.00 0.00 C ATOM 0 H LEU A 96 -19.228 4.406 5.329 1.00 0.00 H new ATOM 0 HA LEU A 96 -19.707 6.310 7.270 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -20.070 7.711 5.502 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -19.307 6.381 4.653 1.00 0.00 H new ATOM 0 HG LEU A 96 -21.721 5.537 4.217 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -23.409 7.328 4.125 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -22.850 7.032 5.789 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -22.255 8.448 4.889 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -21.891 6.963 2.214 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -20.678 8.068 2.904 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -20.224 6.399 2.484 1.00 0.00 H new ATOM 1428 N PRO A 97 -22.154 6.593 7.813 1.00 0.00 N ATOM 1429 CA PRO A 97 -23.522 6.596 8.341 1.00 0.00 C ATOM 1430 C PRO A 97 -24.549 6.988 7.285 1.00 0.00 C ATOM 1431 O PRO A 97 -24.666 8.158 6.922 1.00 0.00 O ATOM 1432 CB PRO A 97 -23.470 7.648 9.452 1.00 0.00 C ATOM 1433 CG PRO A 97 -22.354 8.555 9.064 1.00 0.00 C ATOM 1434 CD PRO A 97 -21.342 7.691 8.364 1.00 0.00 C ATOM 0 HA PRO A 97 -23.829 5.608 8.684 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -24.412 8.190 9.528 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -23.287 7.189 10.424 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -22.708 9.351 8.408 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -21.918 9.034 9.941 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -20.821 8.238 7.579 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -20.583 7.322 9.054 1.00 0.00 H new