USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 667 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 36 MET CE :methyl 159:sc= -2.96! (180deg=-1.21) USER MOD Set 1.2: A 40 ASN : amide:sc= -2.81 X(o=-5.8,f=-5.6!) USER MOD Single : A 15 HIS : no HD1:sc= -0.0942 X(o=-0.094,f=-0.24) USER MOD Single : A 19 LYS NZ :NH3+ -112:sc= 1.21 (180deg=-0.0958) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN :FLIP amide:sc= -1.4 F(o=-2.1!,f=-1.4) USER MOD Single : A 35 GLN :FLIP amide:sc= -0.0299 F(o=-0.55,f=-0.03) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 60:sc= 0.0598 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 165:sc= 1.27 (180deg=1.1) USER MOD Single : A 57 CYS SG : rot 162:sc= -2.18! USER MOD Single : A 59 HIS : no HD1:sc= -0.906 X(o=-0.91,f=-0.43) USER MOD Single : A 64 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0464) USER MOD Single : A 65 ASN :FLIP amide:sc= -2.09! C(o=-4!,f=-2.1!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 48:sc= 0.634 USER MOD Single : A 74 LYS NZ :NH3+ 173:sc= 0.265 (180deg=0.243) USER MOD Single : A 79 LYS NZ :NH3+ 167:sc= -0.0225 (180deg=-0.184) USER MOD Single : A 80 ASN : amide:sc= -0.903 X(o=-0.9,f=-1.2) USER MOD Single : A 81 SER OG : rot 70:sc= 0.0387 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HD1:sc= 1.08 K(o=1.1,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 114 N VAL A 10 1.070 -11.229 -7.868 1.00 0.00 N ATOM 115 CA VAL A 10 -0.134 -10.420 -7.789 1.00 0.00 C ATOM 116 C VAL A 10 0.184 -9.025 -7.276 1.00 0.00 C ATOM 117 O VAL A 10 0.697 -8.863 -6.165 1.00 0.00 O ATOM 118 CB VAL A 10 -1.195 -11.071 -6.873 1.00 0.00 C ATOM 119 CG1 VAL A 10 -2.471 -10.242 -6.844 1.00 0.00 C ATOM 120 CG2 VAL A 10 -1.491 -12.497 -7.319 1.00 0.00 C ATOM 0 HA VAL A 10 -0.539 -10.350 -8.799 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.791 -11.106 -5.861 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.202 -10.721 -6.193 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.248 -9.244 -6.467 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.879 -10.166 -7.852 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.240 -12.936 -6.660 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.868 -12.488 -8.342 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.577 -13.089 -7.274 1.00 0.00 H new ATOM 130 N ASP A 11 -0.112 -8.023 -8.092 1.00 0.00 N ATOM 131 CA ASP A 11 0.060 -6.639 -7.688 1.00 0.00 C ATOM 132 C ASP A 11 -1.207 -6.131 -7.019 1.00 0.00 C ATOM 133 O ASP A 11 -2.276 -6.101 -7.631 1.00 0.00 O ATOM 134 CB ASP A 11 0.392 -5.744 -8.890 1.00 0.00 C ATOM 135 CG ASP A 11 1.811 -5.922 -9.398 1.00 0.00 C ATOM 136 OD1 ASP A 11 2.714 -5.213 -8.910 1.00 0.00 O ATOM 137 OD2 ASP A 11 2.027 -6.756 -10.306 1.00 0.00 O ATOM 0 H ASP A 11 -0.473 -8.145 -9.038 1.00 0.00 H new ATOM 0 HA ASP A 11 0.892 -6.598 -6.985 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.306 -5.960 -9.699 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.242 -4.701 -8.610 1.00 0.00 H new ATOM 142 N VAL A 12 -1.086 -5.750 -5.764 1.00 0.00 N ATOM 143 CA VAL A 12 -2.199 -5.169 -5.034 1.00 0.00 C ATOM 144 C VAL A 12 -2.159 -3.655 -5.174 1.00 0.00 C ATOM 145 O VAL A 12 -1.190 -3.020 -4.767 1.00 0.00 O ATOM 146 CB VAL A 12 -2.149 -5.559 -3.542 1.00 0.00 C ATOM 147 CG1 VAL A 12 -3.256 -4.870 -2.760 1.00 0.00 C ATOM 148 CG2 VAL A 12 -2.245 -7.069 -3.383 1.00 0.00 C ATOM 0 H VAL A 12 -0.224 -5.832 -5.224 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.128 -5.555 -5.453 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.193 -5.226 -3.138 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.197 -5.163 -1.712 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.141 -3.789 -2.842 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.224 -5.164 -3.165 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.208 -7.326 -2.324 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.184 -7.421 -3.810 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.411 -7.543 -3.901 1.00 0.00 H new ATOM 158 N GLU A 13 -3.201 -3.075 -5.748 1.00 0.00 N ATOM 159 CA GLU A 13 -3.199 -1.653 -6.031 1.00 0.00 C ATOM 160 C GLU A 13 -3.952 -0.904 -4.955 1.00 0.00 C ATOM 161 O GLU A 13 -5.166 -1.034 -4.823 1.00 0.00 O ATOM 162 CB GLU A 13 -3.830 -1.374 -7.392 1.00 0.00 C ATOM 163 CG GLU A 13 -3.123 -2.058 -8.547 1.00 0.00 C ATOM 164 CD GLU A 13 -3.795 -1.776 -9.869 1.00 0.00 C ATOM 165 OE1 GLU A 13 -4.768 -2.483 -10.208 1.00 0.00 O ATOM 166 OE2 GLU A 13 -3.368 -0.839 -10.571 1.00 0.00 O ATOM 0 H GLU A 13 -4.052 -3.565 -6.024 1.00 0.00 H new ATOM 0 HA GLU A 13 -2.164 -1.310 -6.048 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -4.871 -1.697 -7.373 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -3.834 -0.298 -7.567 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.087 -1.722 -8.588 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.102 -3.134 -8.373 1.00 0.00 H new ATOM 173 N ILE A 14 -3.227 -0.123 -4.188 1.00 0.00 N ATOM 174 CA ILE A 14 -3.832 0.664 -3.141 1.00 0.00 C ATOM 175 C ILE A 14 -3.733 2.134 -3.508 1.00 0.00 C ATOM 176 O ILE A 14 -2.643 2.642 -3.760 1.00 0.00 O ATOM 177 CB ILE A 14 -3.138 0.431 -1.786 1.00 0.00 C ATOM 178 CG1 ILE A 14 -2.838 -1.060 -1.582 1.00 0.00 C ATOM 179 CG2 ILE A 14 -4.018 0.951 -0.664 1.00 0.00 C ATOM 180 CD1 ILE A 14 -2.064 -1.362 -0.314 1.00 0.00 C ATOM 0 H ILE A 14 -2.216 -0.016 -4.270 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.875 0.361 -3.043 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.192 0.972 -1.777 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.779 -1.611 -1.562 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.272 -1.427 -2.438 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.524 0.784 0.293 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.191 2.018 -0.802 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.972 0.424 -0.676 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.891 -2.436 -0.241 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.107 -0.841 -0.339 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.637 -1.027 0.551 1.00 0.00 H new ATOM 192 N HIS A 15 -4.864 2.813 -3.561 1.00 0.00 N ATOM 193 CA HIS A 15 -4.875 4.211 -3.959 1.00 0.00 C ATOM 194 C HIS A 15 -4.949 5.118 -2.747 1.00 0.00 C ATOM 195 O HIS A 15 -5.944 5.140 -2.028 1.00 0.00 O ATOM 196 CB HIS A 15 -6.039 4.493 -4.912 1.00 0.00 C ATOM 197 CG HIS A 15 -5.901 3.795 -6.228 1.00 0.00 C ATOM 198 ND1 HIS A 15 -6.535 2.605 -6.519 1.00 0.00 N ATOM 199 CD2 HIS A 15 -5.184 4.117 -7.330 1.00 0.00 C ATOM 200 CE1 HIS A 15 -6.216 2.228 -7.744 1.00 0.00 C ATOM 201 NE2 HIS A 15 -5.397 3.128 -8.257 1.00 0.00 N ATOM 0 H HIS A 15 -5.780 2.425 -3.336 1.00 0.00 H new ATOM 0 HA HIS A 15 -3.942 4.419 -4.483 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -6.971 4.184 -4.439 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -6.109 5.567 -5.083 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -4.560 4.990 -7.456 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -6.566 1.335 -8.242 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -4.989 3.094 -9.191 1.00 0.00 H new ATOM 210 N PHE A 16 -3.874 5.851 -2.520 1.00 0.00 N ATOM 211 CA PHE A 16 -3.814 6.814 -1.441 1.00 0.00 C ATOM 212 C PHE A 16 -3.775 8.223 -2.016 1.00 0.00 C ATOM 213 O PHE A 16 -2.846 8.575 -2.745 1.00 0.00 O ATOM 214 CB PHE A 16 -2.575 6.584 -0.568 1.00 0.00 C ATOM 215 CG PHE A 16 -2.602 5.319 0.253 1.00 0.00 C ATOM 216 CD1 PHE A 16 -3.795 4.706 0.593 1.00 0.00 C ATOM 217 CD2 PHE A 16 -1.417 4.756 0.697 1.00 0.00 C ATOM 218 CE1 PHE A 16 -3.807 3.556 1.355 1.00 0.00 C ATOM 219 CE2 PHE A 16 -1.423 3.605 1.459 1.00 0.00 C ATOM 220 CZ PHE A 16 -2.619 3.004 1.789 1.00 0.00 C ATOM 0 H PHE A 16 -3.022 5.794 -3.078 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.702 6.690 -0.821 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.695 6.564 -1.210 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.460 7.434 0.105 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.729 5.133 0.258 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.477 5.223 0.444 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.746 3.088 1.612 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.491 3.176 1.796 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.626 2.104 2.386 1.00 0.00 H new ATOM 230 N PRO A 17 -4.803 9.031 -1.745 1.00 0.00 N ATOM 231 CA PRO A 17 -4.813 10.440 -2.134 1.00 0.00 C ATOM 232 C PRO A 17 -3.679 11.222 -1.466 1.00 0.00 C ATOM 233 O PRO A 17 -3.623 11.344 -0.235 1.00 0.00 O ATOM 234 CB PRO A 17 -6.185 10.936 -1.680 1.00 0.00 C ATOM 235 CG PRO A 17 -7.008 9.702 -1.540 1.00 0.00 C ATOM 236 CD PRO A 17 -6.057 8.636 -1.086 1.00 0.00 C ATOM 0 HA PRO A 17 -4.652 10.577 -3.203 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.118 11.476 -0.736 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.619 11.621 -2.409 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.811 9.846 -0.817 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -7.476 9.433 -2.487 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.957 8.616 -0.001 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -6.383 7.643 -1.394 1.00 0.00 H new ATOM 244 N LEU A 18 -2.825 11.783 -2.324 1.00 0.00 N ATOM 245 CA LEU A 18 -1.549 12.411 -1.955 1.00 0.00 C ATOM 246 C LEU A 18 -1.657 13.278 -0.696 1.00 0.00 C ATOM 247 O LEU A 18 -0.814 13.194 0.193 1.00 0.00 O ATOM 248 CB LEU A 18 -1.069 13.255 -3.158 1.00 0.00 C ATOM 249 CG LEU A 18 0.405 13.719 -3.183 1.00 0.00 C ATOM 250 CD1 LEU A 18 0.736 14.675 -2.046 1.00 0.00 C ATOM 251 CD2 LEU A 18 1.347 12.528 -3.172 1.00 0.00 C ATOM 0 H LEU A 18 -3.005 11.815 -3.327 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.829 11.628 -1.717 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.252 12.677 -4.064 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.699 14.143 -3.214 1.00 0.00 H new ATOM 0 HG LEU A 18 0.545 14.270 -4.113 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.783 14.969 -2.111 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.105 15.561 -2.120 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.557 14.181 -1.091 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.379 12.880 -3.190 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.180 11.940 -2.269 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.160 11.908 -4.049 1.00 0.00 H new ATOM 263 N LYS A 19 -2.696 14.093 -0.616 1.00 0.00 N ATOM 264 CA LYS A 19 -2.784 15.089 0.449 1.00 0.00 C ATOM 265 C LYS A 19 -3.073 14.446 1.804 1.00 0.00 C ATOM 266 O LYS A 19 -2.446 14.797 2.802 1.00 0.00 O ATOM 267 CB LYS A 19 -3.849 16.156 0.148 1.00 0.00 C ATOM 268 CG LYS A 19 -3.523 17.094 -1.009 1.00 0.00 C ATOM 269 CD LYS A 19 -3.563 16.390 -2.357 1.00 0.00 C ATOM 270 CE LYS A 19 -3.354 17.359 -3.498 1.00 0.00 C ATOM 271 NZ LYS A 19 -1.963 17.886 -3.546 1.00 0.00 N ATOM 0 H LYS A 19 -3.483 14.089 -1.265 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.809 15.574 0.494 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.792 15.654 -0.068 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.005 16.754 1.046 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.233 17.921 -1.013 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.533 17.524 -0.856 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.793 15.619 -2.388 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.523 15.887 -2.477 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.584 16.862 -4.440 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.052 18.190 -3.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.967 18.899 -3.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.374 17.374 -2.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.574 17.754 -4.502 1.00 0.00 H new ATOM 285 N ARG A 20 -3.995 13.492 1.842 1.00 0.00 N ATOM 286 CA ARG A 20 -4.460 12.964 3.122 1.00 0.00 C ATOM 287 C ARG A 20 -3.518 11.889 3.652 1.00 0.00 C ATOM 288 O ARG A 20 -3.381 11.718 4.860 1.00 0.00 O ATOM 289 CB ARG A 20 -5.896 12.439 3.015 1.00 0.00 C ATOM 290 CG ARG A 20 -6.069 11.278 2.054 1.00 0.00 C ATOM 291 CD ARG A 20 -7.526 11.110 1.658 1.00 0.00 C ATOM 292 NE ARG A 20 -7.969 12.153 0.731 1.00 0.00 N ATOM 293 CZ ARG A 20 -9.110 12.832 0.840 1.00 0.00 C ATOM 294 NH1 ARG A 20 -9.917 12.636 1.873 1.00 0.00 N ATOM 295 NH2 ARG A 20 -9.437 13.723 -0.089 1.00 0.00 N ATOM 0 H ARG A 20 -4.430 13.074 1.020 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.459 13.785 3.838 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.231 12.129 4.005 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.546 13.255 2.700 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.464 11.446 1.163 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.707 10.361 2.518 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.665 10.132 1.196 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.149 11.132 2.552 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.359 12.376 -0.056 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.667 11.960 2.595 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.788 13.161 1.946 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.816 13.885 -0.882 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.310 14.245 -0.010 1.00 0.00 H new ATOM 309 N ILE A 21 -2.844 11.188 2.750 1.00 0.00 N ATOM 310 CA ILE A 21 -1.870 10.184 3.158 1.00 0.00 C ATOM 311 C ILE A 21 -0.594 10.867 3.650 1.00 0.00 C ATOM 312 O ILE A 21 0.218 10.269 4.349 1.00 0.00 O ATOM 313 CB ILE A 21 -1.551 9.197 2.009 1.00 0.00 C ATOM 314 CG1 ILE A 21 -0.570 8.108 2.466 1.00 0.00 C ATOM 315 CG2 ILE A 21 -0.997 9.936 0.802 1.00 0.00 C ATOM 316 CD1 ILE A 21 -1.082 7.259 3.613 1.00 0.00 C ATOM 0 H ILE A 21 -2.952 11.294 1.741 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.303 9.604 3.973 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.484 8.712 1.721 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.344 7.459 1.620 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.366 8.579 2.766 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.780 9.223 0.007 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.732 10.660 0.450 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.081 10.456 1.083 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.332 6.514 3.877 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.281 7.895 4.476 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.002 6.757 3.312 1.00 0.00 H new ATOM 328 N ALA A 22 -0.439 12.138 3.294 1.00 0.00 N ATOM 329 CA ALA A 22 0.681 12.941 3.762 1.00 0.00 C ATOM 330 C ALA A 22 0.389 13.503 5.148 1.00 0.00 C ATOM 331 O ALA A 22 1.287 13.983 5.847 1.00 0.00 O ATOM 332 CB ALA A 22 0.957 14.074 2.787 1.00 0.00 C ATOM 0 H ALA A 22 -1.082 12.636 2.678 1.00 0.00 H new ATOM 0 HA ALA A 22 1.564 12.304 3.823 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.797 14.668 3.148 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.199 13.661 1.808 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.073 14.707 2.705 1.00 0.00 H new ATOM 338 N ALA A 23 -0.871 13.419 5.542 1.00 0.00 N ATOM 339 CA ALA A 23 -1.320 13.969 6.807 1.00 0.00 C ATOM 340 C ALA A 23 -1.117 12.959 7.925 1.00 0.00 C ATOM 341 O ALA A 23 -1.038 11.754 7.688 1.00 0.00 O ATOM 342 CB ALA A 23 -2.783 14.375 6.712 1.00 0.00 C ATOM 0 H ALA A 23 -1.607 12.970 4.996 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.728 14.856 7.034 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.109 14.786 7.667 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.902 15.128 5.933 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.388 13.502 6.468 1.00 0.00 H new ATOM 348 N GLU A 24 -1.030 13.466 9.143 1.00 0.00 N ATOM 349 CA GLU A 24 -0.779 12.632 10.308 1.00 0.00 C ATOM 350 C GLU A 24 -2.078 12.029 10.816 1.00 0.00 C ATOM 351 O GLU A 24 -2.073 11.093 11.614 1.00 0.00 O ATOM 352 CB GLU A 24 -0.082 13.445 11.400 1.00 0.00 C ATOM 353 CG GLU A 24 1.302 13.917 10.986 1.00 0.00 C ATOM 354 CD GLU A 24 1.947 14.835 12.001 1.00 0.00 C ATOM 355 OE1 GLU A 24 2.418 14.340 13.045 1.00 0.00 O ATOM 356 OE2 GLU A 24 2.008 16.058 11.746 1.00 0.00 O ATOM 0 H GLU A 24 -1.130 14.459 9.352 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.118 11.814 10.022 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.696 14.310 11.652 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.000 12.839 12.302 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.943 13.049 10.831 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.231 14.436 10.030 1.00 0.00 H new ATOM 363 N GLY A 25 -3.188 12.575 10.338 1.00 0.00 N ATOM 364 CA GLY A 25 -4.478 11.979 10.590 1.00 0.00 C ATOM 365 C GLY A 25 -4.905 11.122 9.424 1.00 0.00 C ATOM 366 O GLY A 25 -5.931 11.373 8.792 1.00 0.00 O ATOM 0 H GLY A 25 -3.214 13.426 9.777 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.434 11.374 11.496 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.218 12.760 10.764 1.00 0.00 H new ATOM 370 N TYR A 26 -4.107 10.109 9.136 1.00 0.00 N ATOM 371 CA TYR A 26 -4.324 9.272 7.972 1.00 0.00 C ATOM 372 C TYR A 26 -5.376 8.200 8.252 1.00 0.00 C ATOM 373 O TYR A 26 -6.252 7.946 7.428 1.00 0.00 O ATOM 374 CB TYR A 26 -3.001 8.630 7.524 1.00 0.00 C ATOM 375 CG TYR A 26 -2.227 7.956 8.640 1.00 0.00 C ATOM 376 CD1 TYR A 26 -1.302 8.666 9.391 1.00 0.00 C ATOM 377 CD2 TYR A 26 -2.420 6.613 8.943 1.00 0.00 C ATOM 378 CE1 TYR A 26 -0.592 8.062 10.409 1.00 0.00 C ATOM 379 CE2 TYR A 26 -1.714 6.001 9.962 1.00 0.00 C ATOM 380 CZ TYR A 26 -0.801 6.729 10.690 1.00 0.00 C ATOM 381 OH TYR A 26 -0.094 6.126 11.705 1.00 0.00 O ATOM 0 H TYR A 26 -3.297 9.846 9.698 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.698 9.902 7.165 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -3.212 7.894 6.748 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.372 9.398 7.073 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -1.134 9.711 9.175 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -3.134 6.038 8.372 1.00 0.00 H new ATOM 0 HE1 TYR A 26 0.124 8.631 10.983 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.878 4.957 10.185 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.359 5.185 11.774 1.00 0.00 H new ATOM 391 N ALA A 27 -5.313 7.604 9.435 1.00 0.00 N ATOM 392 CA ALA A 27 -6.183 6.482 9.771 1.00 0.00 C ATOM 393 C ALA A 27 -7.597 6.948 10.089 1.00 0.00 C ATOM 394 O ALA A 27 -8.500 6.137 10.303 1.00 0.00 O ATOM 395 CB ALA A 27 -5.605 5.701 10.942 1.00 0.00 C ATOM 0 H ALA A 27 -4.670 7.877 10.178 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.238 5.828 8.901 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.263 4.866 11.183 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.619 5.320 10.674 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.518 6.356 11.809 1.00 0.00 H new ATOM 401 N GLU A 28 -7.789 8.257 10.110 1.00 0.00 N ATOM 402 CA GLU A 28 -9.091 8.829 10.402 1.00 0.00 C ATOM 403 C GLU A 28 -9.726 9.407 9.139 1.00 0.00 C ATOM 404 O GLU A 28 -10.747 10.093 9.203 1.00 0.00 O ATOM 405 CB GLU A 28 -8.968 9.904 11.487 1.00 0.00 C ATOM 406 CG GLU A 28 -7.967 10.996 11.155 1.00 0.00 C ATOM 407 CD GLU A 28 -7.864 12.046 12.241 1.00 0.00 C ATOM 408 OE1 GLU A 28 -8.702 12.967 12.257 1.00 0.00 O ATOM 409 OE2 GLU A 28 -6.938 11.961 13.077 1.00 0.00 O ATOM 0 H GLU A 28 -7.057 8.944 9.928 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.740 8.036 10.772 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.946 10.357 11.649 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.677 9.430 12.424 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.986 10.548 10.995 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.255 11.475 10.219 1.00 0.00 H new ATOM 416 N ASP A 29 -9.116 9.135 7.990 1.00 0.00 N ATOM 417 CA ASP A 29 -9.678 9.563 6.718 1.00 0.00 C ATOM 418 C ASP A 29 -10.499 8.447 6.084 1.00 0.00 C ATOM 419 O ASP A 29 -9.974 7.380 5.745 1.00 0.00 O ATOM 420 CB ASP A 29 -8.585 10.002 5.754 1.00 0.00 C ATOM 421 CG ASP A 29 -9.159 10.337 4.397 1.00 0.00 C ATOM 422 OD1 ASP A 29 -9.623 11.479 4.209 1.00 0.00 O ATOM 423 OD2 ASP A 29 -9.168 9.460 3.521 1.00 0.00 O ATOM 0 H ASP A 29 -8.237 8.623 7.915 1.00 0.00 H new ATOM 0 HA ASP A 29 -10.329 10.413 6.920 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.067 10.872 6.158 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.844 9.209 5.653 1.00 0.00 H new ATOM 428 N GLU A 30 -11.780 8.729 5.882 1.00 0.00 N ATOM 429 CA GLU A 30 -12.744 7.731 5.440 1.00 0.00 C ATOM 430 C GLU A 30 -12.379 7.165 4.072 1.00 0.00 C ATOM 431 O GLU A 30 -12.645 5.997 3.782 1.00 0.00 O ATOM 432 CB GLU A 30 -14.141 8.347 5.399 1.00 0.00 C ATOM 433 CG GLU A 30 -15.243 7.354 5.085 1.00 0.00 C ATOM 434 CD GLU A 30 -16.605 8.004 5.047 1.00 0.00 C ATOM 435 OE1 GLU A 30 -17.234 8.144 6.113 1.00 0.00 O ATOM 436 OE2 GLU A 30 -17.055 8.384 3.945 1.00 0.00 O ATOM 0 H GLU A 30 -12.180 9.657 6.020 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.729 6.907 6.153 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.350 8.814 6.362 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.156 9.139 4.651 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.041 6.882 4.123 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.241 6.563 5.835 1.00 0.00 H new ATOM 443 N LEU A 31 -11.756 7.989 3.237 1.00 0.00 N ATOM 444 CA LEU A 31 -11.350 7.560 1.912 1.00 0.00 C ATOM 445 C LEU A 31 -10.224 6.549 2.004 1.00 0.00 C ATOM 446 O LEU A 31 -10.236 5.516 1.333 1.00 0.00 O ATOM 447 CB LEU A 31 -10.893 8.756 1.079 1.00 0.00 C ATOM 448 CG LEU A 31 -11.922 9.305 0.088 1.00 0.00 C ATOM 449 CD1 LEU A 31 -11.358 10.501 -0.661 1.00 0.00 C ATOM 450 CD2 LEU A 31 -12.357 8.225 -0.890 1.00 0.00 C ATOM 0 H LEU A 31 -11.523 8.957 3.458 1.00 0.00 H new ATOM 0 HA LEU A 31 -12.209 7.096 1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.604 9.559 1.757 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -9.999 8.470 0.525 1.00 0.00 H new ATOM 0 HG LEU A 31 -12.796 9.630 0.652 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -12.104 10.877 -1.361 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.099 11.286 0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.466 10.199 -1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -13.088 8.637 -1.585 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -11.490 7.867 -1.445 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.804 7.396 -0.341 1.00 0.00 H new ATOM 462 N LEU A 32 -9.278 6.834 2.874 1.00 0.00 N ATOM 463 CA LEU A 32 -8.105 6.031 3.019 1.00 0.00 C ATOM 464 C LEU A 32 -8.481 4.695 3.647 1.00 0.00 C ATOM 465 O LEU A 32 -7.958 3.640 3.276 1.00 0.00 O ATOM 466 CB LEU A 32 -7.125 6.802 3.893 1.00 0.00 C ATOM 467 CG LEU A 32 -5.664 6.463 3.678 1.00 0.00 C ATOM 468 CD1 LEU A 32 -5.166 7.078 2.381 1.00 0.00 C ATOM 469 CD2 LEU A 32 -4.818 6.926 4.849 1.00 0.00 C ATOM 0 H LEU A 32 -9.312 7.638 3.501 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.643 5.822 2.054 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.264 7.868 3.714 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.374 6.619 4.938 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.573 5.379 3.608 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.115 6.827 2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.748 6.688 1.546 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.277 8.161 2.426 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.774 6.670 4.668 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.912 8.006 4.961 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.159 6.435 5.761 1.00 0.00 H new ATOM 481 N LEU A 33 -9.435 4.756 4.566 1.00 0.00 N ATOM 482 CA LEU A 33 -9.890 3.583 5.286 1.00 0.00 C ATOM 483 C LEU A 33 -10.676 2.643 4.374 1.00 0.00 C ATOM 484 O LEU A 33 -10.405 1.447 4.339 1.00 0.00 O ATOM 485 CB LEU A 33 -10.750 4.011 6.474 1.00 0.00 C ATOM 486 CG LEU A 33 -10.771 3.047 7.670 1.00 0.00 C ATOM 487 CD1 LEU A 33 -11.575 1.794 7.359 1.00 0.00 C ATOM 488 CD2 LEU A 33 -9.354 2.678 8.089 1.00 0.00 C ATOM 0 H LEU A 33 -9.911 5.618 4.830 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.016 3.041 5.648 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.398 4.982 6.821 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.774 4.149 6.126 1.00 0.00 H new ATOM 0 HG LEU A 33 -11.258 3.561 8.499 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.569 1.134 8.226 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -12.602 2.071 7.120 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.131 1.279 6.508 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.392 1.995 8.937 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.843 2.195 7.256 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.812 3.580 8.373 1.00 0.00 H new ATOM 500 N ASN A 34 -11.627 3.180 3.610 1.00 0.00 N ATOM 501 CA ASN A 34 -12.487 2.319 2.798 1.00 0.00 C ATOM 502 C ASN A 34 -11.711 1.726 1.626 1.00 0.00 C ATOM 503 O ASN A 34 -11.936 0.579 1.251 1.00 0.00 O ATOM 504 CB ASN A 34 -13.750 3.052 2.301 1.00 0.00 C ATOM 505 CG ASN A 34 -13.531 3.881 1.047 1.00 0.00 C ATOM 506 OD1 ASN A 34 -13.288 5.165 1.219 1.00 0.00 O flip ATOM 507 ND2 ASN A 34 -13.606 3.372 -0.069 1.00 0.00 N flip ATOM 0 H ASN A 34 -11.819 4.179 3.536 1.00 0.00 H new ATOM 0 HA ASN A 34 -12.821 1.506 3.443 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -14.531 2.317 2.106 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -14.116 3.703 3.095 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -13.796 2.374 -0.163 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -13.479 3.947 -0.902 1.00 0.00 H new ATOM 514 N GLN A 35 -10.779 2.492 1.067 1.00 0.00 N ATOM 515 CA GLN A 35 -9.950 1.988 -0.020 1.00 0.00 C ATOM 516 C GLN A 35 -9.041 0.872 0.472 1.00 0.00 C ATOM 517 O GLN A 35 -8.952 -0.201 -0.148 1.00 0.00 O ATOM 518 CB GLN A 35 -9.121 3.128 -0.609 1.00 0.00 C ATOM 519 CG GLN A 35 -9.887 3.944 -1.640 1.00 0.00 C ATOM 520 CD GLN A 35 -9.246 5.282 -1.978 1.00 0.00 C ATOM 521 OE1 GLN A 35 -8.725 5.982 -0.980 1.00 0.00 O flip ATOM 522 NE2 GLN A 35 -9.284 5.717 -3.128 1.00 0.00 N flip ATOM 0 H GLN A 35 -10.581 3.453 1.345 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.598 1.581 -0.796 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -8.792 3.785 0.196 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.224 2.717 -1.072 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.981 3.358 -2.554 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.897 4.121 -1.270 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -9.692 5.153 -3.873 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -8.908 6.642 -3.336 1.00 0.00 H new ATOM 531 N MET A 36 -8.419 1.096 1.625 1.00 0.00 N ATOM 532 CA MET A 36 -7.541 0.097 2.198 1.00 0.00 C ATOM 533 C MET A 36 -8.314 -0.782 3.178 1.00 0.00 C ATOM 534 O MET A 36 -7.742 -1.436 4.043 1.00 0.00 O ATOM 535 CB MET A 36 -6.331 0.741 2.871 1.00 0.00 C ATOM 536 CG MET A 36 -5.225 -0.262 3.125 1.00 0.00 C ATOM 537 SD MET A 36 -4.931 -1.302 1.684 1.00 0.00 S ATOM 538 CE MET A 36 -3.856 -2.555 2.360 1.00 0.00 C ATOM 0 H MET A 36 -8.508 1.952 2.172 1.00 0.00 H new ATOM 0 HA MET A 36 -7.165 -0.532 1.391 1.00 0.00 H new ATOM 0 HB2 MET A 36 -5.953 1.547 2.243 1.00 0.00 H new ATOM 0 HB3 MET A 36 -6.637 1.190 3.816 1.00 0.00 H new ATOM 0 HG2 MET A 36 -4.308 0.265 3.387 1.00 0.00 H new ATOM 0 HG3 MET A 36 -5.489 -0.887 3.978 1.00 0.00 H new ATOM 0 HE1 MET A 36 -3.889 -3.442 1.728 1.00 0.00 H new ATOM 0 HE2 MET A 36 -2.835 -2.175 2.400 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.187 -2.814 3.366 1.00 0.00 H new ATOM 548 N GLY A 37 -9.627 -0.729 3.075 1.00 0.00 N ATOM 549 CA GLY A 37 -10.468 -1.738 3.678 1.00 0.00 C ATOM 550 C GLY A 37 -11.005 -2.660 2.612 1.00 0.00 C ATOM 551 O GLY A 37 -11.207 -3.852 2.833 1.00 0.00 O ATOM 0 H GLY A 37 -10.133 0.004 2.578 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -9.898 -2.308 4.412 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.292 -1.266 4.212 1.00 0.00 H new ATOM 555 N LYS A 38 -11.228 -2.080 1.441 1.00 0.00 N ATOM 556 CA LYS A 38 -11.641 -2.814 0.261 1.00 0.00 C ATOM 557 C LYS A 38 -10.582 -3.835 -0.132 1.00 0.00 C ATOM 558 O LYS A 38 -10.822 -5.041 -0.099 1.00 0.00 O ATOM 559 CB LYS A 38 -11.869 -1.831 -0.887 1.00 0.00 C ATOM 560 CG LYS A 38 -12.212 -2.485 -2.217 1.00 0.00 C ATOM 561 CD LYS A 38 -12.450 -1.448 -3.305 1.00 0.00 C ATOM 562 CE LYS A 38 -11.207 -0.607 -3.572 1.00 0.00 C ATOM 563 NZ LYS A 38 -11.473 0.486 -4.545 1.00 0.00 N ATOM 0 H LYS A 38 -11.125 -1.077 1.286 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.566 -3.347 0.478 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.675 -1.151 -0.612 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.971 -1.226 -1.015 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.401 -3.149 -2.517 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.103 -3.103 -2.101 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.753 -1.949 -4.224 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.273 -0.796 -3.011 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.850 -0.179 -2.635 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.411 -1.247 -3.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.602 1.034 -4.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.789 0.078 -5.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.214 1.112 -4.170 1.00 0.00 H new ATOM 577 N VAL A 39 -9.398 -3.350 -0.481 1.00 0.00 N ATOM 578 CA VAL A 39 -8.338 -4.234 -0.943 1.00 0.00 C ATOM 579 C VAL A 39 -7.423 -4.617 0.225 1.00 0.00 C ATOM 580 O VAL A 39 -6.199 -4.502 0.176 1.00 0.00 O ATOM 581 CB VAL A 39 -7.550 -3.588 -2.105 1.00 0.00 C ATOM 582 CG1 VAL A 39 -6.766 -2.359 -1.653 1.00 0.00 C ATOM 583 CG2 VAL A 39 -6.649 -4.607 -2.786 1.00 0.00 C ATOM 0 H VAL A 39 -9.149 -2.361 -0.454 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.785 -5.150 -1.330 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.278 -3.243 -2.839 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.228 -1.938 -2.502 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.455 -1.614 -1.255 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.055 -2.646 -0.879 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.106 -4.126 -3.600 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.939 -5.006 -2.062 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.256 -5.420 -3.185 1.00 0.00 H new ATOM 593 N ASN A 40 -8.044 -5.104 1.278 1.00 0.00 N ATOM 594 CA ASN A 40 -7.335 -5.346 2.518 1.00 0.00 C ATOM 595 C ASN A 40 -7.657 -6.711 3.086 1.00 0.00 C ATOM 596 O ASN A 40 -6.834 -7.325 3.760 1.00 0.00 O ATOM 597 CB ASN A 40 -7.732 -4.296 3.542 1.00 0.00 C ATOM 598 CG ASN A 40 -6.844 -4.321 4.767 1.00 0.00 C ATOM 599 OD1 ASN A 40 -7.305 -4.111 5.887 1.00 0.00 O ATOM 600 ND2 ASN A 40 -5.559 -4.550 4.559 1.00 0.00 N ATOM 0 H ASN A 40 -9.036 -5.340 1.301 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.267 -5.297 2.304 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -7.685 -3.309 3.083 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.767 -4.459 3.843 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -4.909 -4.557 5.345 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -5.218 -4.720 3.613 1.00 0.00 H new ATOM 607 N ASP A 41 -8.854 -7.183 2.802 1.00 0.00 N ATOM 608 CA ASP A 41 -9.374 -8.366 3.474 1.00 0.00 C ATOM 609 C ASP A 41 -8.803 -9.648 2.879 1.00 0.00 C ATOM 610 O ASP A 41 -8.634 -10.643 3.584 1.00 0.00 O ATOM 611 CB ASP A 41 -10.901 -8.393 3.413 1.00 0.00 C ATOM 612 CG ASP A 41 -11.550 -7.397 4.357 1.00 0.00 C ATOM 613 OD1 ASP A 41 -10.824 -6.717 5.113 1.00 0.00 O ATOM 614 OD2 ASP A 41 -12.796 -7.291 4.347 1.00 0.00 O ATOM 0 H ASP A 41 -9.485 -6.771 2.115 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.061 -8.312 4.517 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.222 -8.181 2.393 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.251 -9.396 3.655 1.00 0.00 H new ATOM 619 N THR A 42 -8.508 -9.627 1.585 1.00 0.00 N ATOM 620 CA THR A 42 -7.921 -10.786 0.917 1.00 0.00 C ATOM 621 C THR A 42 -6.627 -10.408 0.183 1.00 0.00 C ATOM 622 O THR A 42 -6.536 -10.525 -1.039 1.00 0.00 O ATOM 623 CB THR A 42 -8.917 -11.408 -0.084 1.00 0.00 C ATOM 624 OG1 THR A 42 -9.438 -10.395 -0.960 1.00 0.00 O ATOM 625 CG2 THR A 42 -10.066 -12.093 0.642 1.00 0.00 C ATOM 0 H THR A 42 -8.664 -8.823 0.977 1.00 0.00 H new ATOM 0 HA THR A 42 -7.686 -11.519 1.688 1.00 0.00 H new ATOM 0 HB THR A 42 -8.381 -12.155 -0.670 1.00 0.00 H new ATOM 0 HG1 THR A 42 -8.700 -9.975 -1.450 1.00 0.00 H new ATOM 0 HG21 THR A 42 -10.753 -12.523 -0.087 1.00 0.00 H new ATOM 0 HG22 THR A 42 -9.673 -12.884 1.280 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.596 -11.363 1.254 1.00 0.00 H new ATOM 633 N PRO A 43 -5.599 -9.950 0.920 1.00 0.00 N ATOM 634 CA PRO A 43 -4.366 -9.441 0.331 1.00 0.00 C ATOM 635 C PRO A 43 -3.239 -10.480 0.281 1.00 0.00 C ATOM 636 O PRO A 43 -2.100 -10.145 -0.041 1.00 0.00 O ATOM 637 CB PRO A 43 -4.012 -8.356 1.330 1.00 0.00 C ATOM 638 CG PRO A 43 -4.350 -8.982 2.642 1.00 0.00 C ATOM 639 CD PRO A 43 -5.544 -9.865 2.394 1.00 0.00 C ATOM 0 HA PRO A 43 -4.489 -9.128 -0.706 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -2.958 -8.083 1.273 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.586 -7.446 1.157 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.510 -9.562 3.024 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.577 -8.221 3.389 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.420 -10.847 2.850 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.456 -9.435 2.807 1.00 0.00 H new ATOM 647 N GLU A 44 -3.567 -11.724 0.645 1.00 0.00 N ATOM 648 CA GLU A 44 -2.594 -12.825 0.763 1.00 0.00 C ATOM 649 C GLU A 44 -1.667 -12.652 1.972 1.00 0.00 C ATOM 650 O GLU A 44 -1.381 -13.618 2.680 1.00 0.00 O ATOM 651 CB GLU A 44 -1.761 -13.013 -0.516 1.00 0.00 C ATOM 652 CG GLU A 44 -0.719 -14.118 -0.392 1.00 0.00 C ATOM 653 CD GLU A 44 -0.076 -14.494 -1.710 1.00 0.00 C ATOM 654 OE1 GLU A 44 -0.773 -15.084 -2.561 1.00 0.00 O ATOM 655 OE2 GLU A 44 1.134 -14.243 -1.887 1.00 0.00 O ATOM 0 H GLU A 44 -4.523 -12.002 0.869 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.188 -13.726 0.914 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.428 -13.242 -1.347 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.261 -12.075 -0.758 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.057 -13.798 0.303 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.188 -15.002 0.039 1.00 0.00 H new ATOM 662 N GLU A 45 -1.202 -11.433 2.203 1.00 0.00 N ATOM 663 CA GLU A 45 -0.313 -11.147 3.324 1.00 0.00 C ATOM 664 C GLU A 45 -1.042 -11.331 4.666 1.00 0.00 C ATOM 665 O GLU A 45 -1.017 -12.419 5.244 1.00 0.00 O ATOM 666 CB GLU A 45 0.276 -9.732 3.179 1.00 0.00 C ATOM 667 CG GLU A 45 1.139 -9.266 4.349 1.00 0.00 C ATOM 668 CD GLU A 45 2.365 -10.127 4.590 1.00 0.00 C ATOM 669 OE1 GLU A 45 2.221 -11.362 4.676 1.00 0.00 O ATOM 670 OE2 GLU A 45 3.476 -9.566 4.707 1.00 0.00 O ATOM 0 H GLU A 45 -1.426 -10.621 1.627 1.00 0.00 H new ATOM 0 HA GLU A 45 0.513 -11.858 3.312 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.875 -9.696 2.269 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.544 -9.026 3.049 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.458 -8.240 4.166 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.531 -9.255 5.254 1.00 0.00 H new ATOM 677 N GLU A 46 -1.711 -10.290 5.143 1.00 0.00 N ATOM 678 CA GLU A 46 -2.437 -10.370 6.411 1.00 0.00 C ATOM 679 C GLU A 46 -3.807 -9.715 6.279 1.00 0.00 C ATOM 680 O GLU A 46 -4.801 -10.373 5.976 1.00 0.00 O ATOM 681 CB GLU A 46 -1.658 -9.679 7.538 1.00 0.00 C ATOM 682 CG GLU A 46 -0.267 -10.232 7.784 1.00 0.00 C ATOM 683 CD GLU A 46 0.567 -9.312 8.651 1.00 0.00 C ATOM 684 OE1 GLU A 46 1.075 -8.291 8.135 1.00 0.00 O ATOM 685 OE2 GLU A 46 0.715 -9.595 9.855 1.00 0.00 O ATOM 0 H GLU A 46 -1.768 -9.384 4.677 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.556 -11.425 6.658 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.575 -8.617 7.305 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.234 -9.759 8.460 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.345 -11.208 8.263 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.236 -10.384 6.829 1.00 0.00 H new ATOM 692 N GLY A 47 -3.835 -8.407 6.493 1.00 0.00 N ATOM 693 CA GLY A 47 -5.050 -7.640 6.352 1.00 0.00 C ATOM 694 C GLY A 47 -4.946 -6.319 7.076 1.00 0.00 C ATOM 695 O GLY A 47 -4.171 -5.443 6.680 1.00 0.00 O ATOM 0 H GLY A 47 -3.020 -7.858 6.767 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.252 -7.464 5.295 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.891 -8.210 6.747 1.00 0.00 H new ATOM 699 N MET A 48 -5.692 -6.193 8.153 1.00 0.00 N ATOM 700 CA MET A 48 -5.689 -4.997 8.977 1.00 0.00 C ATOM 701 C MET A 48 -4.268 -4.586 9.418 1.00 0.00 C ATOM 702 O MET A 48 -3.874 -3.427 9.237 1.00 0.00 O ATOM 703 CB MET A 48 -6.612 -5.220 10.178 1.00 0.00 C ATOM 704 CG MET A 48 -6.483 -4.168 11.260 1.00 0.00 C ATOM 705 SD MET A 48 -6.693 -2.492 10.650 1.00 0.00 S ATOM 706 CE MET A 48 -5.818 -1.625 11.937 1.00 0.00 C ATOM 0 H MET A 48 -6.323 -6.922 8.486 1.00 0.00 H new ATOM 0 HA MET A 48 -6.063 -4.164 8.381 1.00 0.00 H new ATOM 0 HB2 MET A 48 -7.645 -5.243 9.830 1.00 0.00 H new ATOM 0 HB3 MET A 48 -6.399 -6.198 10.610 1.00 0.00 H new ATOM 0 HG2 MET A 48 -7.225 -4.361 12.035 1.00 0.00 H new ATOM 0 HG3 MET A 48 -5.503 -4.257 11.728 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.838 -0.554 11.733 1.00 0.00 H new ATOM 0 HE2 MET A 48 -6.296 -1.821 12.897 1.00 0.00 H new ATOM 0 HE3 MET A 48 -4.784 -1.969 11.969 1.00 0.00 H new ATOM 716 N PRO A 49 -3.453 -5.509 9.961 1.00 0.00 N ATOM 717 CA PRO A 49 -2.112 -5.158 10.420 1.00 0.00 C ATOM 718 C PRO A 49 -1.197 -4.792 9.253 1.00 0.00 C ATOM 719 O PRO A 49 -0.341 -3.906 9.366 1.00 0.00 O ATOM 720 CB PRO A 49 -1.625 -6.419 11.137 1.00 0.00 C ATOM 721 CG PRO A 49 -2.442 -7.532 10.581 1.00 0.00 C ATOM 722 CD PRO A 49 -3.753 -6.938 10.160 1.00 0.00 C ATOM 0 HA PRO A 49 -2.111 -4.282 11.068 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.562 -6.586 10.960 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.759 -6.334 12.215 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.938 -7.996 9.733 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.593 -8.312 11.328 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.124 -7.399 9.244 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.519 -7.082 10.922 1.00 0.00 H new ATOM 730 N LEU A 50 -1.376 -5.477 8.122 1.00 0.00 N ATOM 731 CA LEU A 50 -0.598 -5.173 6.934 1.00 0.00 C ATOM 732 C LEU A 50 -0.841 -3.734 6.493 1.00 0.00 C ATOM 733 O LEU A 50 0.095 -3.025 6.144 1.00 0.00 O ATOM 734 CB LEU A 50 -0.864 -6.173 5.789 1.00 0.00 C ATOM 735 CG LEU A 50 -1.966 -5.829 4.786 1.00 0.00 C ATOM 736 CD1 LEU A 50 -1.504 -4.803 3.762 1.00 0.00 C ATOM 737 CD2 LEU A 50 -2.397 -7.073 4.071 1.00 0.00 C ATOM 0 H LEU A 50 -2.047 -6.237 8.010 1.00 0.00 H new ATOM 0 HA LEU A 50 0.456 -5.278 7.193 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.065 -6.303 5.235 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.106 -7.137 6.236 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.798 -5.399 5.344 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.318 -4.588 3.070 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.210 -3.886 4.273 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.652 -5.199 3.209 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.182 -6.828 3.356 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.546 -7.502 3.542 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.777 -7.795 4.794 1.00 0.00 H new ATOM 749 N ARG A 51 -2.098 -3.295 6.511 1.00 0.00 N ATOM 750 CA ARG A 51 -2.404 -1.947 6.061 1.00 0.00 C ATOM 751 C ARG A 51 -1.854 -0.935 7.045 1.00 0.00 C ATOM 752 O ARG A 51 -1.489 0.166 6.660 1.00 0.00 O ATOM 753 CB ARG A 51 -3.903 -1.731 5.831 1.00 0.00 C ATOM 754 CG ARG A 51 -4.750 -1.619 7.085 1.00 0.00 C ATOM 755 CD ARG A 51 -6.195 -1.312 6.732 1.00 0.00 C ATOM 756 NE ARG A 51 -7.054 -1.229 7.907 1.00 0.00 N ATOM 757 CZ ARG A 51 -8.385 -1.188 7.853 1.00 0.00 C ATOM 758 NH1 ARG A 51 -9.009 -1.264 6.681 1.00 0.00 N ATOM 759 NH2 ARG A 51 -9.088 -1.089 8.972 1.00 0.00 N ATOM 0 H ARG A 51 -2.901 -3.841 6.825 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.920 -1.806 5.095 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.035 -0.823 5.243 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.283 -2.557 5.230 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.698 -2.550 7.649 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.353 -0.834 7.729 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.239 -0.369 6.187 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.574 -2.085 6.063 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.610 -1.201 8.825 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.469 -1.354 5.820 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.028 -1.232 6.643 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.610 -1.044 9.872 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.107 -1.057 8.933 1.00 0.00 H new ATOM 773 N ALA A 52 -1.780 -1.315 8.309 1.00 0.00 N ATOM 774 CA ALA A 52 -1.151 -0.472 9.309 1.00 0.00 C ATOM 775 C ALA A 52 0.301 -0.181 8.933 1.00 0.00 C ATOM 776 O ALA A 52 0.717 0.978 8.918 1.00 0.00 O ATOM 777 CB ALA A 52 -1.230 -1.124 10.683 1.00 0.00 C ATOM 0 H ALA A 52 -2.146 -2.198 8.665 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.689 0.475 9.347 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.753 -0.478 11.420 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.275 -1.275 10.954 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.718 -2.086 10.659 1.00 0.00 H new ATOM 783 N TRP A 53 1.070 -1.221 8.591 1.00 0.00 N ATOM 784 CA TRP A 53 2.463 -1.003 8.194 1.00 0.00 C ATOM 785 C TRP A 53 2.548 -0.377 6.806 1.00 0.00 C ATOM 786 O TRP A 53 3.405 0.464 6.550 1.00 0.00 O ATOM 787 CB TRP A 53 3.319 -2.285 8.288 1.00 0.00 C ATOM 788 CG TRP A 53 3.142 -3.312 7.198 1.00 0.00 C ATOM 789 CD1 TRP A 53 2.490 -4.499 7.313 1.00 0.00 C ATOM 790 CD2 TRP A 53 3.665 -3.277 5.859 1.00 0.00 C ATOM 791 NE1 TRP A 53 2.547 -5.192 6.128 1.00 0.00 N ATOM 792 CE2 TRP A 53 3.262 -4.464 5.222 1.00 0.00 C ATOM 793 CE3 TRP A 53 4.421 -2.356 5.134 1.00 0.00 C ATOM 794 CZ2 TRP A 53 3.591 -4.754 3.902 1.00 0.00 C ATOM 795 CZ3 TRP A 53 4.746 -2.642 3.823 1.00 0.00 C ATOM 796 CH2 TRP A 53 4.332 -3.834 3.217 1.00 0.00 C ATOM 0 H TRP A 53 0.763 -2.194 8.581 1.00 0.00 H new ATOM 0 HA TRP A 53 2.886 -0.299 8.911 1.00 0.00 H new ATOM 0 HB2 TRP A 53 4.368 -1.990 8.308 1.00 0.00 H new ATOM 0 HB3 TRP A 53 3.105 -2.765 9.243 1.00 0.00 H new ATOM 0 HD1 TRP A 53 1.997 -4.848 8.208 1.00 0.00 H new ATOM 0 HE1 TRP A 53 2.123 -6.103 5.954 1.00 0.00 H new ATOM 0 HE3 TRP A 53 4.747 -1.433 5.591 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 3.272 -5.674 3.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 5.330 -1.933 3.255 1.00 0.00 H new ATOM 0 HH2 TRP A 53 4.603 -4.029 2.190 1.00 0.00 H new ATOM 807 N VAL A 54 1.649 -0.788 5.923 1.00 0.00 N ATOM 808 CA VAL A 54 1.618 -0.290 4.553 1.00 0.00 C ATOM 809 C VAL A 54 1.306 1.206 4.521 1.00 0.00 C ATOM 810 O VAL A 54 2.013 1.981 3.874 1.00 0.00 O ATOM 811 CB VAL A 54 0.591 -1.099 3.722 1.00 0.00 C ATOM 812 CG1 VAL A 54 -0.280 -0.212 2.838 1.00 0.00 C ATOM 813 CG2 VAL A 54 1.294 -2.140 2.870 1.00 0.00 C ATOM 0 H VAL A 54 0.923 -1.473 6.134 1.00 0.00 H new ATOM 0 HA VAL A 54 2.604 -0.424 4.108 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.066 -1.594 4.437 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.981 -0.832 2.279 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.834 0.490 3.461 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.351 0.340 2.142 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.556 -2.698 2.294 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.987 -1.645 2.189 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.845 -2.826 3.514 1.00 0.00 H new ATOM 823 N ILE A 55 0.264 1.606 5.239 1.00 0.00 N ATOM 824 CA ILE A 55 -0.121 3.002 5.320 1.00 0.00 C ATOM 825 C ILE A 55 0.961 3.813 6.030 1.00 0.00 C ATOM 826 O ILE A 55 1.264 4.938 5.635 1.00 0.00 O ATOM 827 CB ILE A 55 -1.480 3.152 6.044 1.00 0.00 C ATOM 828 CG1 ILE A 55 -2.592 2.513 5.208 1.00 0.00 C ATOM 829 CG2 ILE A 55 -1.801 4.606 6.325 1.00 0.00 C ATOM 830 CD1 ILE A 55 -3.952 2.528 5.877 1.00 0.00 C ATOM 0 H ILE A 55 -0.331 0.975 5.776 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.231 3.388 4.307 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.411 2.637 7.002 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.662 3.036 4.254 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.319 1.481 4.986 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.762 4.675 6.834 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.024 5.034 6.958 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.848 5.156 5.385 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.685 2.058 5.222 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.901 1.979 6.817 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.249 3.558 6.074 1.00 0.00 H new ATOM 842 N LYS A 56 1.558 3.225 7.065 1.00 0.00 N ATOM 843 CA LYS A 56 2.659 3.866 7.774 1.00 0.00 C ATOM 844 C LYS A 56 3.863 4.049 6.851 1.00 0.00 C ATOM 845 O LYS A 56 4.424 5.139 6.759 1.00 0.00 O ATOM 846 CB LYS A 56 3.053 3.034 9.002 1.00 0.00 C ATOM 847 CG LYS A 56 4.259 3.566 9.764 1.00 0.00 C ATOM 848 CD LYS A 56 4.021 4.965 10.308 1.00 0.00 C ATOM 849 CE LYS A 56 5.204 5.444 11.135 1.00 0.00 C ATOM 850 NZ LYS A 56 5.020 6.838 11.619 1.00 0.00 N ATOM 0 H LYS A 56 1.297 2.308 7.429 1.00 0.00 H new ATOM 0 HA LYS A 56 2.328 4.850 8.105 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.202 2.986 9.681 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.263 2.013 8.682 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.492 2.892 10.588 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.127 3.577 9.105 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.849 5.655 9.482 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.120 4.971 10.921 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.342 4.780 11.988 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.112 5.386 10.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.708 7.037 12.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.167 7.501 10.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.056 6.952 11.991 1.00 0.00 H new ATOM 864 N CYS A 57 4.236 2.981 6.156 1.00 0.00 N ATOM 865 CA CYS A 57 5.399 2.998 5.278 1.00 0.00 C ATOM 866 C CYS A 57 5.213 4.000 4.143 1.00 0.00 C ATOM 867 O CYS A 57 6.103 4.800 3.862 1.00 0.00 O ATOM 868 CB CYS A 57 5.655 1.599 4.710 1.00 0.00 C ATOM 869 SG CYS A 57 7.183 1.452 3.758 1.00 0.00 S ATOM 0 H CYS A 57 3.746 2.087 6.184 1.00 0.00 H new ATOM 0 HA CYS A 57 6.263 3.306 5.866 1.00 0.00 H new ATOM 0 HB2 CYS A 57 5.683 0.885 5.533 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.816 1.319 4.074 1.00 0.00 H new ATOM 0 HG CYS A 57 7.508 0.198 3.649 1.00 0.00 H new ATOM 875 N ALA A 58 4.046 3.964 3.502 1.00 0.00 N ATOM 876 CA ALA A 58 3.740 4.884 2.413 1.00 0.00 C ATOM 877 C ALA A 58 3.732 6.325 2.912 1.00 0.00 C ATOM 878 O ALA A 58 4.163 7.242 2.212 1.00 0.00 O ATOM 879 CB ALA A 58 2.400 4.532 1.786 1.00 0.00 C ATOM 0 H ALA A 58 3.298 3.306 3.720 1.00 0.00 H new ATOM 0 HA ALA A 58 4.516 4.789 1.654 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.184 5.227 0.974 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.438 3.516 1.393 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.616 4.600 2.540 1.00 0.00 H new ATOM 885 N HIS A 59 3.246 6.505 4.131 1.00 0.00 N ATOM 886 CA HIS A 59 3.202 7.816 4.764 1.00 0.00 C ATOM 887 C HIS A 59 4.611 8.370 4.946 1.00 0.00 C ATOM 888 O HIS A 59 4.906 9.490 4.528 1.00 0.00 O ATOM 889 CB HIS A 59 2.494 7.713 6.119 1.00 0.00 C ATOM 890 CG HIS A 59 2.262 9.025 6.804 1.00 0.00 C ATOM 891 ND1 HIS A 59 1.912 9.124 8.132 1.00 0.00 N ATOM 892 CD2 HIS A 59 2.299 10.292 6.334 1.00 0.00 C ATOM 893 CE1 HIS A 59 1.734 10.392 8.442 1.00 0.00 C ATOM 894 NE2 HIS A 59 1.966 11.123 7.370 1.00 0.00 N ATOM 0 H HIS A 59 2.873 5.751 4.707 1.00 0.00 H new ATOM 0 HA HIS A 59 2.646 8.498 4.121 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.533 7.218 5.975 1.00 0.00 H new ATOM 0 HB3 HIS A 59 3.086 7.075 6.776 1.00 0.00 H new ATOM 0 HD2 HIS A 59 2.546 10.593 5.327 1.00 0.00 H new ATOM 0 HE1 HIS A 59 1.446 10.769 9.412 1.00 0.00 H new ATOM 0 HE2 HIS A 59 1.907 12.140 7.320 1.00 0.00 H new ATOM 903 N GLU A 60 5.477 7.570 5.558 1.00 0.00 N ATOM 904 CA GLU A 60 6.850 7.982 5.820 1.00 0.00 C ATOM 905 C GLU A 60 7.610 8.184 4.513 1.00 0.00 C ATOM 906 O GLU A 60 8.411 9.112 4.389 1.00 0.00 O ATOM 907 CB GLU A 60 7.565 6.941 6.682 1.00 0.00 C ATOM 908 CG GLU A 60 6.837 6.608 7.976 1.00 0.00 C ATOM 909 CD GLU A 60 6.602 7.818 8.856 1.00 0.00 C ATOM 910 OE1 GLU A 60 7.580 8.514 9.195 1.00 0.00 O ATOM 911 OE2 GLU A 60 5.439 8.062 9.239 1.00 0.00 O ATOM 0 H GLU A 60 5.251 6.630 5.883 1.00 0.00 H new ATOM 0 HA GLU A 60 6.823 8.929 6.359 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.691 6.027 6.102 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.564 7.306 6.922 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.878 6.148 7.738 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.415 5.870 8.531 1.00 0.00 H new ATOM 918 N ALA A 61 7.345 7.314 3.540 1.00 0.00 N ATOM 919 CA ALA A 61 7.978 7.402 2.229 1.00 0.00 C ATOM 920 C ALA A 61 7.681 8.744 1.575 1.00 0.00 C ATOM 921 O ALA A 61 8.571 9.394 1.021 1.00 0.00 O ATOM 922 CB ALA A 61 7.497 6.268 1.330 1.00 0.00 C ATOM 0 H ALA A 61 6.692 6.536 3.638 1.00 0.00 H new ATOM 0 HA ALA A 61 9.056 7.313 2.366 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.978 6.347 0.355 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.752 5.311 1.784 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.416 6.334 1.207 1.00 0.00 H new ATOM 928 N LEU A 62 6.428 9.157 1.663 1.00 0.00 N ATOM 929 CA LEU A 62 5.986 10.409 1.073 1.00 0.00 C ATOM 930 C LEU A 62 6.506 11.599 1.875 1.00 0.00 C ATOM 931 O LEU A 62 7.029 12.544 1.319 1.00 0.00 O ATOM 932 CB LEU A 62 4.455 10.405 0.988 1.00 0.00 C ATOM 933 CG LEU A 62 3.791 11.617 0.324 1.00 0.00 C ATOM 934 CD1 LEU A 62 2.389 11.251 -0.123 1.00 0.00 C ATOM 935 CD2 LEU A 62 3.723 12.803 1.275 1.00 0.00 C ATOM 0 H LEU A 62 5.693 8.638 2.142 1.00 0.00 H new ATOM 0 HA LEU A 62 6.392 10.506 0.066 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.148 9.511 0.445 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.060 10.314 2.000 1.00 0.00 H new ATOM 0 HG LEU A 62 4.396 11.902 -0.537 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.920 12.115 -0.594 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.438 10.430 -0.838 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.800 10.945 0.741 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.247 13.645 0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.142 12.530 2.156 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.731 13.084 1.578 1.00 0.00 H new ATOM 947 N GLU A 63 6.367 11.554 3.181 1.00 0.00 N ATOM 948 CA GLU A 63 6.876 12.622 4.031 1.00 0.00 C ATOM 949 C GLU A 63 8.387 12.824 3.861 1.00 0.00 C ATOM 950 O GLU A 63 8.897 13.923 4.093 1.00 0.00 O ATOM 951 CB GLU A 63 6.540 12.370 5.497 1.00 0.00 C ATOM 952 CG GLU A 63 5.085 12.646 5.847 1.00 0.00 C ATOM 953 CD GLU A 63 4.852 12.664 7.342 1.00 0.00 C ATOM 954 OE1 GLU A 63 4.845 11.585 7.962 1.00 0.00 O ATOM 955 OE2 GLU A 63 4.675 13.766 7.903 1.00 0.00 O ATOM 0 H GLU A 63 5.908 10.794 3.683 1.00 0.00 H new ATOM 0 HA GLU A 63 6.380 13.538 3.712 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.773 11.334 5.741 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.179 12.996 6.120 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.786 13.604 5.423 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.452 11.884 5.391 1.00 0.00 H new ATOM 962 N LYS A 64 9.101 11.776 3.456 1.00 0.00 N ATOM 963 CA LYS A 64 10.536 11.884 3.233 1.00 0.00 C ATOM 964 C LYS A 64 10.780 12.428 1.834 1.00 0.00 C ATOM 965 O LYS A 64 11.594 13.327 1.625 1.00 0.00 O ATOM 966 CB LYS A 64 11.214 10.519 3.403 1.00 0.00 C ATOM 967 CG LYS A 64 12.728 10.557 3.255 1.00 0.00 C ATOM 968 CD LYS A 64 13.345 9.184 3.482 1.00 0.00 C ATOM 969 CE LYS A 64 14.864 9.228 3.399 1.00 0.00 C ATOM 970 NZ LYS A 64 15.344 9.574 2.037 1.00 0.00 N ATOM 0 H LYS A 64 8.711 10.851 3.277 1.00 0.00 H new ATOM 0 HA LYS A 64 10.965 12.564 3.969 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.965 10.121 4.387 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.805 9.827 2.667 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.988 10.914 2.259 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.147 11.268 3.968 1.00 0.00 H new ATOM 0 HD2 LYS A 64 13.045 8.807 4.460 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.960 8.485 2.739 1.00 0.00 H new ATOM 0 HE2 LYS A 64 15.244 9.960 4.112 1.00 0.00 H new ATOM 0 HE3 LYS A 64 15.270 8.259 3.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.379 9.476 1.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.910 8.933 1.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 15.080 10.555 1.815 1.00 0.00 H new ATOM 984 N ASN A 65 10.047 11.877 0.889 1.00 0.00 N ATOM 985 CA ASN A 65 10.063 12.347 -0.482 1.00 0.00 C ATOM 986 C ASN A 65 8.642 12.331 -1.024 1.00 0.00 C ATOM 987 O ASN A 65 8.112 11.279 -1.386 1.00 0.00 O ATOM 988 CB ASN A 65 10.971 11.473 -1.341 1.00 0.00 C ATOM 989 CG ASN A 65 10.799 11.739 -2.820 1.00 0.00 C ATOM 990 OD1 ASN A 65 9.826 11.078 -3.419 1.00 0.00 O flip ATOM 991 ND2 ASN A 65 11.509 12.552 -3.408 1.00 0.00 N flip ATOM 0 H ASN A 65 9.421 11.088 1.050 1.00 0.00 H new ATOM 0 HA ASN A 65 10.455 13.364 -0.511 1.00 0.00 H new ATOM 0 HB2 ASN A 65 12.010 11.649 -1.062 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.759 10.423 -1.137 1.00 0.00 H new ATOM 0 HD21 ASN A 65 12.250 13.040 -2.905 1.00 0.00 H new ATOM 0 HD22 ASN A 65 11.357 12.739 -4.399 1.00 0.00 H new ATOM 998 N PRO A 66 7.985 13.490 -1.052 1.00 0.00 N ATOM 999 CA PRO A 66 6.599 13.593 -1.453 1.00 0.00 C ATOM 1000 C PRO A 66 6.456 13.993 -2.917 1.00 0.00 C ATOM 1001 O PRO A 66 5.447 14.568 -3.329 1.00 0.00 O ATOM 1002 CB PRO A 66 6.109 14.677 -0.501 1.00 0.00 C ATOM 1003 CG PRO A 66 7.265 15.624 -0.396 1.00 0.00 C ATOM 1004 CD PRO A 66 8.515 14.806 -0.649 1.00 0.00 C ATOM 0 HA PRO A 66 6.038 12.660 -1.393 1.00 0.00 H new ATOM 0 HB2 PRO A 66 5.220 15.175 -0.888 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.844 14.263 0.472 1.00 0.00 H new ATOM 0 HG2 PRO A 66 7.174 16.429 -1.125 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.298 16.088 0.590 1.00 0.00 H new ATOM 0 HD2 PRO A 66 9.133 15.247 -1.431 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.135 14.733 0.244 1.00 0.00 H new ATOM 1012 N LYS A 67 7.482 13.673 -3.698 1.00 0.00 N ATOM 1013 CA LYS A 67 7.491 13.970 -5.120 1.00 0.00 C ATOM 1014 C LYS A 67 7.276 12.698 -5.932 1.00 0.00 C ATOM 1015 O LYS A 67 7.413 12.697 -7.155 1.00 0.00 O ATOM 1016 CB LYS A 67 8.812 14.634 -5.520 1.00 0.00 C ATOM 1017 CG LYS A 67 9.069 15.958 -4.815 1.00 0.00 C ATOM 1018 CD LYS A 67 10.394 16.578 -5.237 1.00 0.00 C ATOM 1019 CE LYS A 67 11.578 15.697 -4.861 1.00 0.00 C ATOM 1020 NZ LYS A 67 12.876 16.347 -5.175 1.00 0.00 N ATOM 0 H LYS A 67 8.324 13.204 -3.363 1.00 0.00 H new ATOM 0 HA LYS A 67 6.675 14.661 -5.331 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.633 13.951 -5.301 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.814 14.800 -6.597 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.257 16.651 -5.036 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.069 15.801 -3.736 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.391 16.742 -6.315 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.504 17.555 -4.766 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.536 15.467 -3.796 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.509 14.749 -5.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 13.656 15.714 -4.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.928 16.543 -6.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.954 17.239 -4.646 1.00 0.00 H new ATOM 1034 N ILE A 68 6.955 11.610 -5.241 1.00 0.00 N ATOM 1035 CA ILE A 68 6.692 10.341 -5.907 1.00 0.00 C ATOM 1036 C ILE A 68 5.309 10.318 -6.533 1.00 0.00 C ATOM 1037 O ILE A 68 4.456 11.161 -6.251 1.00 0.00 O ATOM 1038 CB ILE A 68 6.808 9.129 -4.956 1.00 0.00 C ATOM 1039 CG1 ILE A 68 6.177 9.445 -3.596 1.00 0.00 C ATOM 1040 CG2 ILE A 68 8.256 8.685 -4.816 1.00 0.00 C ATOM 1041 CD1 ILE A 68 6.214 8.288 -2.619 1.00 0.00 C ATOM 0 H ILE A 68 6.871 11.581 -4.225 1.00 0.00 H new ATOM 0 HA ILE A 68 7.458 10.258 -6.678 1.00 0.00 H new ATOM 0 HB ILE A 68 6.254 8.297 -5.390 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.695 10.297 -3.155 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.141 9.746 -3.748 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.311 7.831 -4.142 1.00 0.00 H new ATOM 0 HG22 ILE A 68 8.646 8.401 -5.794 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.850 9.505 -4.412 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.749 8.589 -1.680 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.671 7.441 -3.038 1.00 0.00 H new ATOM 0 HD13 ILE A 68 7.249 8.000 -2.435 1.00 0.00 H new ATOM 1053 N ARG A 69 5.111 9.329 -7.381 1.00 0.00 N ATOM 1054 CA ARG A 69 3.850 9.138 -8.078 1.00 0.00 C ATOM 1055 C ARG A 69 3.144 7.945 -7.467 1.00 0.00 C ATOM 1056 O ARG A 69 1.974 8.001 -7.096 1.00 0.00 O ATOM 1057 CB ARG A 69 4.104 8.857 -9.560 1.00 0.00 C ATOM 1058 CG ARG A 69 5.244 9.668 -10.154 1.00 0.00 C ATOM 1059 CD ARG A 69 5.833 8.968 -11.367 1.00 0.00 C ATOM 1060 NE ARG A 69 6.188 7.579 -11.064 1.00 0.00 N ATOM 1061 CZ ARG A 69 7.345 7.001 -11.386 1.00 0.00 C ATOM 1062 NH1 ARG A 69 8.298 7.686 -12.005 1.00 0.00 N ATOM 1063 NH2 ARG A 69 7.545 5.730 -11.066 1.00 0.00 N ATOM 0 H ARG A 69 5.820 8.632 -7.608 1.00 0.00 H new ATOM 0 HA ARG A 69 3.242 10.038 -7.986 1.00 0.00 H new ATOM 0 HB2 ARG A 69 4.321 7.796 -9.687 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.193 9.065 -10.121 1.00 0.00 H new ATOM 0 HG2 ARG A 69 4.883 10.656 -10.439 1.00 0.00 H new ATOM 0 HG3 ARG A 69 6.020 9.817 -9.403 1.00 0.00 H new ATOM 0 HD2 ARG A 69 5.115 8.991 -12.186 1.00 0.00 H new ATOM 0 HD3 ARG A 69 6.719 9.506 -11.705 1.00 0.00 H new ATOM 0 HE ARG A 69 5.499 7.012 -10.570 1.00 0.00 H new ATOM 0 HH11 ARG A 69 8.150 8.667 -12.240 1.00 0.00 H new ATOM 0 HH12 ARG A 69 9.179 7.231 -12.246 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.818 5.206 -10.579 1.00 0.00 H new ATOM 0 HH22 ARG A 69 8.426 5.276 -11.307 1.00 0.00 H new ATOM 1077 N GLU A 70 3.889 6.855 -7.384 1.00 0.00 N ATOM 1078 CA GLU A 70 3.438 5.642 -6.746 1.00 0.00 C ATOM 1079 C GLU A 70 4.652 4.846 -6.268 1.00 0.00 C ATOM 1080 O GLU A 70 5.730 4.953 -6.851 1.00 0.00 O ATOM 1081 CB GLU A 70 2.541 4.838 -7.705 1.00 0.00 C ATOM 1082 CG GLU A 70 2.864 4.995 -9.192 1.00 0.00 C ATOM 1083 CD GLU A 70 4.216 4.449 -9.593 1.00 0.00 C ATOM 1084 OE1 GLU A 70 4.401 3.217 -9.537 1.00 0.00 O ATOM 1085 OE2 GLU A 70 5.087 5.248 -9.995 1.00 0.00 O ATOM 0 H GLU A 70 4.834 6.793 -7.764 1.00 0.00 H new ATOM 0 HA GLU A 70 2.829 5.877 -5.873 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.614 3.782 -7.444 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.505 5.136 -7.542 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.093 4.491 -9.775 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.820 6.053 -9.452 1.00 0.00 H new ATOM 1092 N VAL A 71 4.491 4.079 -5.195 1.00 0.00 N ATOM 1093 CA VAL A 71 5.615 3.389 -4.578 1.00 0.00 C ATOM 1094 C VAL A 71 5.399 1.877 -4.597 1.00 0.00 C ATOM 1095 O VAL A 71 4.263 1.401 -4.686 1.00 0.00 O ATOM 1096 CB VAL A 71 5.844 3.890 -3.127 1.00 0.00 C ATOM 1097 CG1 VAL A 71 4.706 3.473 -2.210 1.00 0.00 C ATOM 1098 CG2 VAL A 71 7.185 3.418 -2.580 1.00 0.00 C ATOM 0 H VAL A 71 3.594 3.920 -4.736 1.00 0.00 H new ATOM 0 HA VAL A 71 6.509 3.614 -5.160 1.00 0.00 H new ATOM 0 HB VAL A 71 5.863 4.979 -3.160 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.898 3.840 -1.202 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.770 3.894 -2.577 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.633 2.386 -2.192 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.313 3.787 -1.562 1.00 0.00 H new ATOM 0 HG22 VAL A 71 7.214 2.328 -2.578 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.989 3.801 -3.208 1.00 0.00 H new ATOM 1108 N TYR A 72 6.491 1.131 -4.527 1.00 0.00 N ATOM 1109 CA TYR A 72 6.443 -0.318 -4.630 1.00 0.00 C ATOM 1110 C TYR A 72 6.791 -0.952 -3.296 1.00 0.00 C ATOM 1111 O TYR A 72 7.907 -0.804 -2.798 1.00 0.00 O ATOM 1112 CB TYR A 72 7.413 -0.788 -5.713 1.00 0.00 C ATOM 1113 CG TYR A 72 7.344 0.068 -6.951 1.00 0.00 C ATOM 1114 CD1 TYR A 72 6.273 -0.032 -7.822 1.00 0.00 C ATOM 1115 CD2 TYR A 72 8.330 1.007 -7.221 1.00 0.00 C ATOM 1116 CE1 TYR A 72 6.188 0.777 -8.937 1.00 0.00 C ATOM 1117 CE2 TYR A 72 8.248 1.828 -8.327 1.00 0.00 C ATOM 1118 CZ TYR A 72 7.177 1.707 -9.183 1.00 0.00 C ATOM 1119 OH TYR A 72 7.075 2.536 -10.276 1.00 0.00 O ATOM 0 H TYR A 72 7.429 1.510 -4.398 1.00 0.00 H new ATOM 0 HA TYR A 72 5.433 -0.624 -4.902 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.429 -0.773 -5.319 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.188 -1.822 -5.975 1.00 0.00 H new ATOM 0 HD1 TYR A 72 5.493 -0.753 -7.626 1.00 0.00 H new ATOM 0 HD2 TYR A 72 9.175 1.096 -6.555 1.00 0.00 H new ATOM 0 HE1 TYR A 72 5.351 0.683 -9.614 1.00 0.00 H new ATOM 0 HE2 TYR A 72 9.018 2.560 -8.520 1.00 0.00 H new ATOM 0 HH TYR A 72 6.176 2.924 -10.310 1.00 0.00 H new ATOM 1129 N LEU A 73 5.824 -1.634 -2.716 1.00 0.00 N ATOM 1130 CA LEU A 73 6.002 -2.273 -1.424 1.00 0.00 C ATOM 1131 C LEU A 73 5.992 -3.787 -1.542 1.00 0.00 C ATOM 1132 O LEU A 73 5.165 -4.364 -2.247 1.00 0.00 O ATOM 1133 CB LEU A 73 4.901 -1.828 -0.464 1.00 0.00 C ATOM 1134 CG LEU A 73 5.230 -0.602 0.381 1.00 0.00 C ATOM 1135 CD1 LEU A 73 4.075 -0.272 1.316 1.00 0.00 C ATOM 1136 CD2 LEU A 73 6.506 -0.845 1.169 1.00 0.00 C ATOM 0 H LEU A 73 4.897 -1.762 -3.122 1.00 0.00 H new ATOM 0 HA LEU A 73 6.975 -1.969 -1.037 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.000 -1.620 -1.042 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.667 -2.657 0.204 1.00 0.00 H new ATOM 0 HG LEU A 73 5.384 0.251 -0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.328 0.606 1.911 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.179 -0.067 0.730 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.890 -1.118 1.978 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.735 0.035 1.770 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.371 -1.707 1.823 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.328 -1.038 0.480 1.00 0.00 H new ATOM 1148 N LYS A 74 6.911 -4.432 -0.844 1.00 0.00 N ATOM 1149 CA LYS A 74 6.930 -5.878 -0.792 1.00 0.00 C ATOM 1150 C LYS A 74 6.622 -6.340 0.633 1.00 0.00 C ATOM 1151 O LYS A 74 7.327 -5.976 1.577 1.00 0.00 O ATOM 1152 CB LYS A 74 8.283 -6.419 -1.268 1.00 0.00 C ATOM 1153 CG LYS A 74 8.176 -7.715 -2.066 1.00 0.00 C ATOM 1154 CD LYS A 74 7.784 -8.898 -1.192 1.00 0.00 C ATOM 1155 CE LYS A 74 7.215 -10.043 -2.021 1.00 0.00 C ATOM 1156 NZ LYS A 74 8.140 -10.472 -3.103 1.00 0.00 N ATOM 0 H LYS A 74 7.650 -3.977 -0.308 1.00 0.00 H new ATOM 0 HA LYS A 74 6.166 -6.272 -1.462 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.771 -5.663 -1.883 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.923 -6.587 -0.402 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.439 -7.591 -2.859 1.00 0.00 H new ATOM 0 HG3 LYS A 74 9.131 -7.923 -2.548 1.00 0.00 H new ATOM 0 HD2 LYS A 74 8.656 -9.247 -0.638 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.046 -8.579 -0.456 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.005 -10.891 -1.369 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.266 -9.734 -2.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.764 -11.326 -3.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.228 -9.711 -3.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 9.075 -10.679 -2.698 1.00 0.00 H new ATOM 1170 N PRO A 75 5.520 -7.104 0.785 1.00 0.00 N ATOM 1171 CA PRO A 75 5.066 -7.686 2.055 1.00 0.00 C ATOM 1172 C PRO A 75 6.192 -8.166 2.963 1.00 0.00 C ATOM 1173 O PRO A 75 7.224 -8.658 2.500 1.00 0.00 O ATOM 1174 CB PRO A 75 4.246 -8.885 1.598 1.00 0.00 C ATOM 1175 CG PRO A 75 3.714 -8.518 0.256 1.00 0.00 C ATOM 1176 CD PRO A 75 4.589 -7.428 -0.304 1.00 0.00 C ATOM 0 HA PRO A 75 4.532 -6.946 2.651 1.00 0.00 H new ATOM 0 HB2 PRO A 75 4.861 -9.783 1.544 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.436 -9.095 2.297 1.00 0.00 H new ATOM 0 HG2 PRO A 75 3.714 -9.385 -0.405 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.682 -8.177 0.335 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.121 -7.765 -1.194 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.001 -6.558 -0.595 1.00 0.00 H new ATOM 1184 N ARG A 76 5.946 -8.048 4.268 1.00 0.00 N ATOM 1185 CA ARG A 76 6.909 -8.442 5.286 1.00 0.00 C ATOM 1186 C ARG A 76 7.205 -9.923 5.172 1.00 0.00 C ATOM 1187 O ARG A 76 8.347 -10.359 5.330 1.00 0.00 O ATOM 1188 CB ARG A 76 6.366 -8.167 6.686 1.00 0.00 C ATOM 1189 CG ARG A 76 5.757 -6.788 6.862 1.00 0.00 C ATOM 1190 CD ARG A 76 5.341 -6.546 8.305 1.00 0.00 C ATOM 1191 NE ARG A 76 4.336 -7.507 8.771 1.00 0.00 N ATOM 1192 CZ ARG A 76 4.333 -8.043 9.994 1.00 0.00 C ATOM 1193 NH1 ARG A 76 5.305 -7.758 10.853 1.00 0.00 N ATOM 1194 NH2 ARG A 76 3.352 -8.862 10.360 1.00 0.00 N ATOM 0 H ARG A 76 5.074 -7.677 4.645 1.00 0.00 H new ATOM 0 HA ARG A 76 7.817 -7.860 5.129 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.612 -8.917 6.924 1.00 0.00 H new ATOM 0 HB3 ARG A 76 7.175 -8.288 7.407 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.477 -6.029 6.557 1.00 0.00 H new ATOM 0 HG3 ARG A 76 4.890 -6.685 6.209 1.00 0.00 H new ATOM 0 HD2 ARG A 76 6.220 -6.605 8.947 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.944 -5.535 8.400 1.00 0.00 H new ATOM 0 HE ARG A 76 3.597 -7.782 8.124 1.00 0.00 H new ATOM 0 HH11 ARG A 76 6.058 -7.127 10.580 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.298 -8.170 11.786 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.600 -9.082 9.706 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.351 -9.271 11.294 1.00 0.00 H new ATOM 1208 N ALA A 77 6.158 -10.693 4.915 1.00 0.00 N ATOM 1209 CA ALA A 77 6.301 -12.119 4.731 1.00 0.00 C ATOM 1210 C ALA A 77 6.865 -12.410 3.353 1.00 0.00 C ATOM 1211 O ALA A 77 6.126 -12.638 2.392 1.00 0.00 O ATOM 1212 CB ALA A 77 4.975 -12.833 4.936 1.00 0.00 C ATOM 0 H ALA A 77 5.202 -10.348 4.830 1.00 0.00 H new ATOM 0 HA ALA A 77 6.997 -12.496 5.481 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.113 -13.905 4.791 1.00 0.00 H new ATOM 0 HB2 ALA A 77 4.614 -12.647 5.948 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.246 -12.460 4.216 1.00 0.00 H new ATOM 1218 N VAL A 78 8.188 -12.378 3.266 1.00 0.00 N ATOM 1219 CA VAL A 78 8.898 -12.714 2.036 1.00 0.00 C ATOM 1220 C VAL A 78 8.531 -14.129 1.588 1.00 0.00 C ATOM 1221 O VAL A 78 8.624 -14.471 0.409 1.00 0.00 O ATOM 1222 CB VAL A 78 10.431 -12.603 2.231 1.00 0.00 C ATOM 1223 CG1 VAL A 78 11.178 -12.919 0.945 1.00 0.00 C ATOM 1224 CG2 VAL A 78 10.805 -11.215 2.734 1.00 0.00 C ATOM 0 H VAL A 78 8.798 -12.120 4.041 1.00 0.00 H new ATOM 0 HA VAL A 78 8.598 -12.003 1.266 1.00 0.00 H new ATOM 0 HB VAL A 78 10.725 -13.340 2.979 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.251 -12.832 1.117 1.00 0.00 H new ATOM 0 HG12 VAL A 78 10.943 -13.935 0.628 1.00 0.00 H new ATOM 0 HG13 VAL A 78 10.877 -12.217 0.167 1.00 0.00 H new ATOM 0 HG21 VAL A 78 11.885 -11.155 2.866 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.485 -10.467 2.009 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.312 -11.029 3.688 1.00 0.00 H new ATOM 1234 N LYS A 79 8.074 -14.930 2.546 1.00 0.00 N ATOM 1235 CA LYS A 79 7.614 -16.285 2.281 1.00 0.00 C ATOM 1236 C LYS A 79 6.482 -16.294 1.253 1.00 0.00 C ATOM 1237 O LYS A 79 6.334 -17.258 0.499 1.00 0.00 O ATOM 1238 CB LYS A 79 7.139 -16.940 3.584 1.00 0.00 C ATOM 1239 CG LYS A 79 6.688 -18.389 3.431 1.00 0.00 C ATOM 1240 CD LYS A 79 7.823 -19.298 2.974 1.00 0.00 C ATOM 1241 CE LYS A 79 8.941 -19.376 4.004 1.00 0.00 C ATOM 1242 NZ LYS A 79 8.469 -19.930 5.301 1.00 0.00 N ATOM 0 H LYS A 79 8.013 -14.656 3.527 1.00 0.00 H new ATOM 0 HA LYS A 79 8.450 -16.852 1.872 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.948 -16.899 4.313 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.313 -16.356 3.990 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.297 -18.749 4.383 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.871 -18.440 2.711 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.433 -20.298 2.786 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.225 -18.930 2.030 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.748 -19.998 3.616 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.355 -18.381 4.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.288 -20.171 5.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.885 -19.221 5.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.903 -20.785 5.128 1.00 0.00 H new ATOM 1256 N ASN A 80 5.694 -15.216 1.203 1.00 0.00 N ATOM 1257 CA ASN A 80 4.566 -15.152 0.275 1.00 0.00 C ATOM 1258 C ASN A 80 5.051 -15.178 -1.162 1.00 0.00 C ATOM 1259 O ASN A 80 4.445 -15.825 -2.013 1.00 0.00 O ATOM 1260 CB ASN A 80 3.732 -13.890 0.481 1.00 0.00 C ATOM 1261 CG ASN A 80 2.976 -13.889 1.788 1.00 0.00 C ATOM 1262 OD1 ASN A 80 2.603 -14.941 2.309 1.00 0.00 O ATOM 1263 ND2 ASN A 80 2.736 -12.707 2.320 1.00 0.00 N ATOM 0 H ASN A 80 5.815 -14.388 1.786 1.00 0.00 H new ATOM 0 HA ASN A 80 3.945 -16.025 0.478 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.386 -13.019 0.446 1.00 0.00 H new ATOM 0 HB3 ASN A 80 3.024 -13.791 -0.342 1.00 0.00 H new ATOM 0 HD21 ASN A 80 2.222 -12.638 3.198 1.00 0.00 H new ATOM 0 HD22 ASN A 80 3.064 -11.862 1.853 1.00 0.00 H new ATOM 1270 N SER A 81 6.167 -14.489 -1.405 1.00 0.00 N ATOM 1271 CA SER A 81 6.809 -14.426 -2.720 1.00 0.00 C ATOM 1272 C SER A 81 5.951 -13.708 -3.774 1.00 0.00 C ATOM 1273 O SER A 81 6.381 -12.711 -4.359 1.00 0.00 O ATOM 1274 CB SER A 81 7.167 -15.837 -3.199 1.00 0.00 C ATOM 1275 OG SER A 81 7.961 -16.511 -2.235 1.00 0.00 O ATOM 0 H SER A 81 6.656 -13.953 -0.688 1.00 0.00 H new ATOM 0 HA SER A 81 7.717 -13.835 -2.600 1.00 0.00 H new ATOM 0 HB2 SER A 81 6.255 -16.404 -3.386 1.00 0.00 H new ATOM 0 HB3 SER A 81 7.706 -15.779 -4.144 1.00 0.00 H new ATOM 0 HG SER A 81 7.414 -16.719 -1.449 1.00 0.00 H new ATOM 1281 N SER A 82 4.738 -14.201 -3.974 1.00 0.00 N ATOM 1282 CA SER A 82 3.899 -13.820 -5.102 1.00 0.00 C ATOM 1283 C SER A 82 3.245 -12.450 -4.932 1.00 0.00 C ATOM 1284 O SER A 82 3.116 -11.698 -5.899 1.00 0.00 O ATOM 1285 CB SER A 82 2.820 -14.882 -5.288 1.00 0.00 C ATOM 1286 OG SER A 82 3.379 -16.186 -5.225 1.00 0.00 O ATOM 0 H SER A 82 4.304 -14.883 -3.352 1.00 0.00 H new ATOM 0 HA SER A 82 4.542 -13.750 -5.980 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.057 -14.771 -4.517 1.00 0.00 H new ATOM 0 HB3 SER A 82 2.325 -14.740 -6.249 1.00 0.00 H new ATOM 0 HG SER A 82 2.670 -16.852 -5.345 1.00 0.00 H new ATOM 1292 N VAL A 83 2.834 -12.112 -3.718 1.00 0.00 N ATOM 1293 CA VAL A 83 2.062 -10.895 -3.508 1.00 0.00 C ATOM 1294 C VAL A 83 2.973 -9.688 -3.279 1.00 0.00 C ATOM 1295 O VAL A 83 4.015 -9.792 -2.627 1.00 0.00 O ATOM 1296 CB VAL A 83 1.066 -11.045 -2.330 1.00 0.00 C ATOM 1297 CG1 VAL A 83 1.785 -11.134 -0.989 1.00 0.00 C ATOM 1298 CG2 VAL A 83 0.065 -9.899 -2.328 1.00 0.00 C ATOM 0 H VAL A 83 3.019 -12.654 -2.874 1.00 0.00 H new ATOM 0 HA VAL A 83 1.487 -10.725 -4.419 1.00 0.00 H new ATOM 0 HB VAL A 83 0.526 -11.981 -2.473 1.00 0.00 H new ATOM 0 HG11 VAL A 83 1.052 -11.238 -0.189 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.448 -11.999 -0.988 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.370 -10.228 -0.829 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.626 -10.021 -1.494 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.596 -8.953 -2.224 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.492 -9.901 -3.265 1.00 0.00 H new ATOM 1308 N GLN A 84 2.587 -8.558 -3.857 1.00 0.00 N ATOM 1309 CA GLN A 84 3.301 -7.304 -3.669 1.00 0.00 C ATOM 1310 C GLN A 84 2.314 -6.143 -3.690 1.00 0.00 C ATOM 1311 O GLN A 84 1.248 -6.238 -4.300 1.00 0.00 O ATOM 1312 CB GLN A 84 4.376 -7.127 -4.744 1.00 0.00 C ATOM 1313 CG GLN A 84 3.845 -7.153 -6.166 1.00 0.00 C ATOM 1314 CD GLN A 84 4.957 -7.288 -7.184 1.00 0.00 C ATOM 1315 OE1 GLN A 84 5.513 -6.293 -7.661 1.00 0.00 O ATOM 1316 NE2 GLN A 84 5.296 -8.521 -7.519 1.00 0.00 N ATOM 0 H GLN A 84 1.773 -8.486 -4.467 1.00 0.00 H new ATOM 0 HA GLN A 84 3.801 -7.322 -2.700 1.00 0.00 H new ATOM 0 HB2 GLN A 84 4.888 -6.180 -4.577 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.120 -7.916 -4.631 1.00 0.00 H new ATOM 0 HG2 GLN A 84 3.148 -7.984 -6.278 1.00 0.00 H new ATOM 0 HG3 GLN A 84 3.284 -6.239 -6.360 1.00 0.00 H new ATOM 0 HE21 GLN A 84 4.811 -9.315 -7.101 1.00 0.00 H new ATOM 0 HE22 GLN A 84 6.043 -8.679 -8.196 1.00 0.00 H new ATOM 1325 N PHE A 85 2.661 -5.055 -3.023 1.00 0.00 N ATOM 1326 CA PHE A 85 1.754 -3.927 -2.890 1.00 0.00 C ATOM 1327 C PHE A 85 2.216 -2.753 -3.735 1.00 0.00 C ATOM 1328 O PHE A 85 3.356 -2.304 -3.640 1.00 0.00 O ATOM 1329 CB PHE A 85 1.631 -3.495 -1.425 1.00 0.00 C ATOM 1330 CG PHE A 85 1.059 -4.556 -0.531 1.00 0.00 C ATOM 1331 CD1 PHE A 85 -0.281 -4.894 -0.608 1.00 0.00 C ATOM 1332 CD2 PHE A 85 1.860 -5.217 0.386 1.00 0.00 C ATOM 1333 CE1 PHE A 85 -0.812 -5.873 0.210 1.00 0.00 C ATOM 1334 CE2 PHE A 85 1.334 -6.194 1.207 1.00 0.00 C ATOM 1335 CZ PHE A 85 -0.004 -6.523 1.117 1.00 0.00 C ATOM 0 H PHE A 85 3.564 -4.929 -2.565 1.00 0.00 H new ATOM 0 HA PHE A 85 0.775 -4.249 -3.246 1.00 0.00 H new ATOM 0 HB2 PHE A 85 2.616 -3.212 -1.055 1.00 0.00 H new ATOM 0 HB3 PHE A 85 1.002 -2.607 -1.369 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.919 -4.386 -1.316 1.00 0.00 H new ATOM 0 HD2 PHE A 85 2.908 -4.965 0.459 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -1.859 -6.128 0.138 1.00 0.00 H new ATOM 0 HE2 PHE A 85 1.968 -6.701 1.919 1.00 0.00 H new ATOM 0 HZ PHE A 85 -0.417 -7.289 1.757 1.00 0.00 H new ATOM 1345 N HIS A 86 1.322 -2.263 -4.567 1.00 0.00 N ATOM 1346 CA HIS A 86 1.593 -1.099 -5.383 1.00 0.00 C ATOM 1347 C HIS A 86 0.766 0.065 -4.854 1.00 0.00 C ATOM 1348 O HIS A 86 -0.440 0.144 -5.096 1.00 0.00 O ATOM 1349 CB HIS A 86 1.239 -1.388 -6.848 1.00 0.00 C ATOM 1350 CG HIS A 86 1.884 -0.461 -7.836 1.00 0.00 C ATOM 1351 ND1 HIS A 86 2.148 -0.829 -9.137 1.00 0.00 N ATOM 1352 CD2 HIS A 86 2.310 0.820 -7.717 1.00 0.00 C ATOM 1353 CE1 HIS A 86 2.709 0.181 -9.773 1.00 0.00 C ATOM 1354 NE2 HIS A 86 2.819 1.195 -8.936 1.00 0.00 N ATOM 0 H HIS A 86 0.391 -2.658 -4.697 1.00 0.00 H new ATOM 0 HA HIS A 86 2.652 -0.847 -5.335 1.00 0.00 H new ATOM 0 HB2 HIS A 86 1.531 -2.411 -7.084 1.00 0.00 H new ATOM 0 HB3 HIS A 86 0.157 -1.329 -6.966 1.00 0.00 H new ATOM 0 HD2 HIS A 86 2.259 1.432 -6.829 1.00 0.00 H new ATOM 0 HE1 HIS A 86 3.025 0.179 -10.806 1.00 0.00 H new ATOM 0 HE2 HIS A 86 3.217 2.108 -9.158 1.00 0.00 H new ATOM 1363 N VAL A 87 1.411 0.962 -4.132 1.00 0.00 N ATOM 1364 CA VAL A 87 0.713 2.079 -3.521 1.00 0.00 C ATOM 1365 C VAL A 87 0.730 3.273 -4.458 1.00 0.00 C ATOM 1366 O VAL A 87 1.786 3.826 -4.758 1.00 0.00 O ATOM 1367 CB VAL A 87 1.334 2.468 -2.166 1.00 0.00 C ATOM 1368 CG1 VAL A 87 0.717 3.751 -1.634 1.00 0.00 C ATOM 1369 CG2 VAL A 87 1.164 1.342 -1.157 1.00 0.00 C ATOM 0 H VAL A 87 2.415 0.940 -3.954 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.316 1.769 -3.339 1.00 0.00 H new ATOM 0 HB VAL A 87 2.399 2.640 -2.321 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.172 4.004 -0.677 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.891 4.560 -2.344 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.356 3.611 -1.500 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.609 1.635 -0.206 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.103 1.139 -1.014 1.00 0.00 H new ATOM 0 HG23 VAL A 87 1.658 0.444 -1.527 1.00 0.00 H new ATOM 1379 N ILE A 88 -0.443 3.646 -4.928 1.00 0.00 N ATOM 1380 CA ILE A 88 -0.569 4.710 -5.902 1.00 0.00 C ATOM 1381 C ILE A 88 -1.076 5.981 -5.250 1.00 0.00 C ATOM 1382 O ILE A 88 -2.038 5.952 -4.488 1.00 0.00 O ATOM 1383 CB ILE A 88 -1.510 4.298 -7.051 1.00 0.00 C ATOM 1384 CG1 ILE A 88 -0.969 3.036 -7.731 1.00 0.00 C ATOM 1385 CG2 ILE A 88 -1.664 5.431 -8.058 1.00 0.00 C ATOM 1386 CD1 ILE A 88 -1.888 2.470 -8.789 1.00 0.00 C ATOM 0 H ILE A 88 -1.329 3.224 -4.648 1.00 0.00 H new ATOM 0 HA ILE A 88 0.422 4.899 -6.315 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.497 4.084 -6.640 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.005 3.265 -8.185 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.791 2.274 -6.972 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.332 5.117 -8.860 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.081 6.306 -7.560 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.689 5.681 -8.476 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.436 1.579 -9.224 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -2.845 2.208 -8.338 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -2.046 3.214 -9.569 1.00 0.00 H new ATOM 1398 N PHE A 89 -0.428 7.093 -5.556 1.00 0.00 N ATOM 1399 CA PHE A 89 -0.793 8.360 -4.963 1.00 0.00 C ATOM 1400 C PHE A 89 -1.591 9.207 -5.940 1.00 0.00 C ATOM 1401 O PHE A 89 -1.058 9.689 -6.941 1.00 0.00 O ATOM 1402 CB PHE A 89 0.448 9.112 -4.514 1.00 0.00 C ATOM 1403 CG PHE A 89 1.136 8.402 -3.403 1.00 0.00 C ATOM 1404 CD1 PHE A 89 0.617 8.463 -2.126 1.00 0.00 C ATOM 1405 CD2 PHE A 89 2.265 7.640 -3.636 1.00 0.00 C ATOM 1406 CE1 PHE A 89 1.216 7.782 -1.095 1.00 0.00 C ATOM 1407 CE2 PHE A 89 2.865 6.952 -2.608 1.00 0.00 C ATOM 1408 CZ PHE A 89 2.336 7.026 -1.337 1.00 0.00 C ATOM 0 H PHE A 89 0.352 7.140 -6.211 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.418 8.158 -4.093 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.132 9.225 -5.355 1.00 0.00 H new ATOM 0 HB3 PHE A 89 0.171 10.116 -4.191 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.268 9.052 -1.936 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.679 7.585 -4.632 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.807 7.841 -0.097 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.746 6.357 -2.795 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.805 6.486 -0.528 1.00 0.00 H new ATOM 1418 N ASP A 90 -2.872 9.375 -5.658 1.00 0.00 N ATOM 1419 CA ASP A 90 -3.729 10.205 -6.497 1.00 0.00 C ATOM 1420 C ASP A 90 -3.884 11.569 -5.851 1.00 0.00 C ATOM 1421 O ASP A 90 -4.158 11.651 -4.656 1.00 0.00 O ATOM 1422 CB ASP A 90 -5.106 9.571 -6.669 1.00 0.00 C ATOM 1423 CG ASP A 90 -5.939 10.278 -7.722 1.00 0.00 C ATOM 1424 OD1 ASP A 90 -5.839 9.910 -8.912 1.00 0.00 O ATOM 1425 OD2 ASP A 90 -6.699 11.202 -7.368 1.00 0.00 O ATOM 0 H ASP A 90 -3.343 8.951 -4.859 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.267 10.300 -7.480 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.989 8.523 -6.945 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.635 9.592 -5.716 1.00 0.00 H new ATOM 1430 N GLU A 91 -3.710 12.646 -6.594 1.00 0.00 N ATOM 1431 CA GLU A 91 -3.837 13.946 -5.970 1.00 0.00 C ATOM 1432 C GLU A 91 -5.283 14.408 -5.971 1.00 0.00 C ATOM 1433 O GLU A 91 -5.829 14.794 -7.005 1.00 0.00 O ATOM 1434 CB GLU A 91 -2.946 14.985 -6.650 1.00 0.00 C ATOM 1435 CG GLU A 91 -1.462 14.750 -6.426 1.00 0.00 C ATOM 1436 CD GLU A 91 -0.647 16.015 -6.594 1.00 0.00 C ATOM 1437 OE1 GLU A 91 -0.568 16.800 -5.627 1.00 0.00 O ATOM 1438 OE2 GLU A 91 -0.086 16.232 -7.686 1.00 0.00 O ATOM 0 H GLU A 91 -3.489 12.650 -7.590 1.00 0.00 H new ATOM 0 HA GLU A 91 -3.505 13.844 -4.937 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -3.149 14.981 -7.721 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -3.209 15.976 -6.280 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.307 14.351 -5.423 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -1.106 13.996 -7.128 1.00 0.00 H new