USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 695 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 66 THR OG1 : rot -80:sc= 0.636 USER MOD Set 1.2: A 121 TYR OH : rot 149:sc= 1.2 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 156:sc= -0.453 (180deg=-2.69!) USER MOD Single : A 60 ASN : amide:sc= -2.35 K(o=-2.4,f=-3.3!) USER MOD Single : A 62 ASN : amide:sc= -0.335 K(o=-0.33,f=-7.2!) USER MOD Single : A 63 TYR OH : rot 180:sc= -0.604 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN :FLIP amide:sc= -3.2! C(o=-4.5!,f=-3.2!) USER MOD Single : A 78 MET CE :methyl -119:sc= -4.87! (180deg=-8.43!) USER MOD Single : A 80 ASN :FLIP amide:sc= 0.0579 F(o=-0.53,f=0.058) USER MOD Single : A 82 GLN : amide:sc= -0.813 X(o=-0.81,f=-0.58) USER MOD Single : A 84 TYR OH : rot 180:sc= -0.208 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 MET CE :methyl -124:sc= -1.44 (180deg=-3.2!) USER MOD Single : A 93 SER OG : rot 89:sc= 0.564 USER MOD Single : A 94 GLN :FLIP amide:sc= -0.127 F(o=-1.5!,f=-0.13) USER MOD Single : A 97 ASN : amide:sc= -4.41! C(o=-4.4!,f=-9.2!) USER MOD Single : A 98 ASN : amide:sc= -0.0756 K(o=-0.076,f=-2.1!) USER MOD Single : A 100 THR OG1 : rot -59:sc= 0.305 USER MOD Single : A 101 GLN :FLIP amide:sc= -0.567 F(o=-2.1!,f=-0.57) USER MOD Single : A 108 SER OG : rot 180:sc= 0.619 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot -66:sc= -1.31! USER MOD Single : A 120 LYS NZ :NH3+ -172:sc= -1.34 (180deg=-1.49) USER MOD Single : A 125 GLN :FLIP amide:sc= -0.0498 F(o=-1.7!,f=-0.05) USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 106 N ARG A 36 1.998 -8.796 -2.993 1.00 0.00 N ATOM 107 CA ARG A 36 0.942 -8.232 -3.811 1.00 0.00 C ATOM 108 C ARG A 36 1.012 -8.865 -5.189 1.00 0.00 C ATOM 109 O ARG A 36 2.099 -9.181 -5.677 1.00 0.00 O ATOM 110 CB ARG A 36 1.124 -6.719 -3.905 1.00 0.00 C ATOM 111 CG ARG A 36 0.902 -6.119 -2.520 1.00 0.00 C ATOM 112 CD ARG A 36 1.328 -4.656 -2.524 1.00 0.00 C ATOM 113 NE ARG A 36 1.284 -4.123 -1.171 1.00 0.00 N ATOM 114 CZ ARG A 36 2.103 -4.584 -0.232 1.00 0.00 C ATOM 115 NH1 ARG A 36 2.946 -5.539 -0.516 1.00 0.00 N ATOM 116 NH2 ARG A 36 2.055 -4.090 0.973 1.00 0.00 N ATOM 0 HA ARG A 36 -0.034 -8.434 -3.369 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.124 -6.479 -4.266 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.417 -6.296 -4.619 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.148 -6.202 -2.241 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.474 -6.673 -1.776 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.336 -4.563 -2.928 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.670 -4.078 -3.173 1.00 0.00 H new ATOM 0 HE ARG A 36 0.617 -3.387 -0.941 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.975 -5.930 -1.458 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.576 -5.894 0.204 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.389 -3.350 1.195 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.683 -4.443 1.694 1.00 0.00 H new ATOM 130 N ARG A 37 -0.133 -9.064 -5.812 1.00 0.00 N ATOM 131 CA ARG A 37 -0.151 -9.679 -7.125 1.00 0.00 C ATOM 132 C ARG A 37 -1.271 -9.122 -7.987 1.00 0.00 C ATOM 133 O ARG A 37 -2.410 -8.986 -7.542 1.00 0.00 O ATOM 134 CB ARG A 37 -0.334 -11.191 -6.990 1.00 0.00 C ATOM 135 CG ARG A 37 -0.394 -11.817 -8.385 1.00 0.00 C ATOM 136 CD ARG A 37 -0.282 -13.340 -8.283 1.00 0.00 C ATOM 137 NE ARG A 37 -1.540 -13.920 -7.818 1.00 0.00 N ATOM 138 CZ ARG A 37 -2.003 -15.064 -8.321 1.00 0.00 C ATOM 139 NH1 ARG A 37 -1.316 -15.709 -9.225 1.00 0.00 N ATOM 140 NH2 ARG A 37 -3.142 -15.548 -7.908 1.00 0.00 N ATOM 0 H ARG A 37 -1.049 -8.814 -5.439 1.00 0.00 H new ATOM 0 HA ARG A 37 0.801 -9.456 -7.606 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.491 -11.620 -6.421 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.249 -11.411 -6.440 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.329 -11.545 -8.874 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.414 -11.426 -9.003 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.021 -13.756 -9.256 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.522 -13.605 -7.597 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.074 -13.440 -7.094 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.423 -15.337 -9.548 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.673 -16.584 -9.608 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.680 -15.051 -7.199 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.494 -16.424 -8.295 1.00 0.00 H new ATOM 154 N GLU A 38 -0.938 -8.830 -9.236 1.00 0.00 N ATOM 155 CA GLU A 38 -1.931 -8.324 -10.173 1.00 0.00 C ATOM 156 C GLU A 38 -1.819 -9.052 -11.500 1.00 0.00 C ATOM 157 O GLU A 38 -0.729 -9.432 -11.928 1.00 0.00 O ATOM 158 CB GLU A 38 -1.778 -6.816 -10.421 1.00 0.00 C ATOM 159 CG GLU A 38 -1.969 -6.023 -9.122 1.00 0.00 C ATOM 160 CD GLU A 38 -3.241 -6.450 -8.396 1.00 0.00 C ATOM 161 OE1 GLU A 38 -4.152 -6.927 -9.053 1.00 0.00 O ATOM 162 OE2 GLU A 38 -3.287 -6.282 -7.188 1.00 0.00 O ATOM 0 H GLU A 38 0.001 -8.933 -9.621 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.909 -8.501 -9.725 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.791 -6.610 -10.835 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.508 -6.490 -11.161 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.108 -6.174 -8.471 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.016 -4.958 -9.347 1.00 0.00 H new ATOM 169 N LEU A 39 -2.959 -9.229 -12.150 1.00 0.00 N ATOM 170 CA LEU A 39 -2.989 -9.897 -13.436 1.00 0.00 C ATOM 171 C LEU A 39 -3.955 -9.175 -14.369 1.00 0.00 C ATOM 172 O LEU A 39 -5.027 -8.738 -13.947 1.00 0.00 O ATOM 173 CB LEU A 39 -3.412 -11.358 -13.264 1.00 0.00 C ATOM 174 CG LEU A 39 -3.034 -12.144 -14.527 1.00 0.00 C ATOM 175 CD1 LEU A 39 -2.929 -13.636 -14.206 1.00 0.00 C ATOM 176 CD2 LEU A 39 -4.097 -11.945 -15.613 1.00 0.00 C ATOM 0 H LEU A 39 -3.869 -8.920 -11.808 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.990 -9.874 -13.872 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.922 -11.791 -12.392 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.486 -11.420 -13.090 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.072 -11.776 -14.885 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.660 -14.184 -15.109 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.164 -13.792 -13.446 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.888 -13.997 -13.834 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.817 -12.508 -16.504 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.061 -12.299 -15.248 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.170 -10.886 -15.861 1.00 0.00 H new ATOM 188 N ALA A 40 -3.577 -9.040 -15.633 1.00 0.00 N ATOM 189 CA ALA A 40 -4.435 -8.355 -16.591 1.00 0.00 C ATOM 190 C ALA A 40 -4.455 -9.083 -17.920 1.00 0.00 C ATOM 191 O ALA A 40 -3.447 -9.636 -18.366 1.00 0.00 O ATOM 192 CB ALA A 40 -3.949 -6.926 -16.819 1.00 0.00 C ATOM 0 H ALA A 40 -2.698 -9.389 -16.015 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.442 -8.339 -16.175 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.602 -6.430 -17.537 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.967 -6.381 -15.875 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.931 -6.946 -17.207 1.00 0.00 H new ATOM 198 N CYS A 41 -5.625 -9.098 -18.530 1.00 0.00 N ATOM 199 CA CYS A 41 -5.818 -9.781 -19.795 1.00 0.00 C ATOM 200 C CYS A 41 -4.995 -9.144 -20.914 1.00 0.00 C ATOM 201 O CYS A 41 -4.907 -7.919 -21.024 1.00 0.00 O ATOM 202 CB CYS A 41 -7.303 -9.726 -20.140 1.00 0.00 C ATOM 203 SG CYS A 41 -8.266 -10.240 -18.697 1.00 0.00 S ATOM 0 H CYS A 41 -6.462 -8.641 -18.167 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.481 -10.813 -19.699 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.583 -8.715 -20.438 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.517 -10.379 -20.987 1.00 0.00 H new ATOM 208 N GLU A 42 -4.387 -10.000 -21.738 1.00 0.00 N ATOM 209 CA GLU A 42 -3.564 -9.541 -22.853 1.00 0.00 C ATOM 210 C GLU A 42 -4.229 -8.394 -23.589 1.00 0.00 C ATOM 211 O GLU A 42 -5.366 -8.503 -24.045 1.00 0.00 O ATOM 212 CB GLU A 42 -3.336 -10.687 -23.844 1.00 0.00 C ATOM 213 CG GLU A 42 -2.413 -10.231 -24.982 1.00 0.00 C ATOM 214 CD GLU A 42 -2.363 -11.290 -26.080 1.00 0.00 C ATOM 215 OE1 GLU A 42 -2.807 -12.396 -25.832 1.00 0.00 O ATOM 216 OE2 GLU A 42 -1.873 -10.978 -27.153 1.00 0.00 O ATOM 0 H GLU A 42 -4.451 -11.014 -21.652 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.613 -9.200 -22.443 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.895 -11.540 -23.329 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.291 -11.020 -24.252 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.771 -9.287 -25.394 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.410 -10.050 -24.596 1.00 0.00 H new ATOM 223 N GLY A 43 -3.492 -7.310 -23.727 1.00 0.00 N ATOM 224 CA GLY A 43 -3.985 -6.144 -24.439 1.00 0.00 C ATOM 225 C GLY A 43 -4.638 -5.115 -23.527 1.00 0.00 C ATOM 226 O GLY A 43 -4.942 -4.014 -23.980 1.00 0.00 O ATOM 0 H GLY A 43 -2.547 -7.211 -23.355 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.158 -5.675 -24.971 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.707 -6.464 -25.190 1.00 0.00 H new ATOM 230 N TYR A 44 -4.848 -5.427 -22.250 1.00 0.00 N ATOM 231 CA TYR A 44 -5.454 -4.446 -21.359 1.00 0.00 C ATOM 232 C TYR A 44 -4.417 -3.949 -20.342 1.00 0.00 C ATOM 233 O TYR A 44 -3.501 -4.682 -19.963 1.00 0.00 O ATOM 234 CB TYR A 44 -6.664 -5.061 -20.641 1.00 0.00 C ATOM 235 CG TYR A 44 -7.808 -5.233 -21.625 1.00 0.00 C ATOM 236 CD1 TYR A 44 -7.830 -6.327 -22.503 1.00 0.00 C ATOM 237 CD2 TYR A 44 -8.852 -4.302 -21.651 1.00 0.00 C ATOM 238 CE1 TYR A 44 -8.894 -6.483 -23.405 1.00 0.00 C ATOM 239 CE2 TYR A 44 -9.913 -4.457 -22.554 1.00 0.00 C ATOM 240 CZ TYR A 44 -9.936 -5.547 -23.430 1.00 0.00 C ATOM 241 OH TYR A 44 -10.984 -5.699 -24.317 1.00 0.00 O ATOM 0 H TYR A 44 -4.615 -6.323 -21.821 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.798 -3.595 -21.947 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.393 -6.025 -20.211 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.974 -4.420 -19.816 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.028 -7.050 -22.485 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.840 -3.461 -20.973 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -8.909 -7.326 -24.081 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -10.714 -3.733 -22.573 1.00 0.00 H new ATOM 0 HH TYR A 44 -11.620 -4.963 -24.201 1.00 0.00 H new ATOM 251 N PRO A 45 -4.535 -2.718 -19.918 1.00 0.00 N ATOM 252 CA PRO A 45 -3.584 -2.100 -18.945 1.00 0.00 C ATOM 253 C PRO A 45 -3.699 -2.680 -17.537 1.00 0.00 C ATOM 254 O PRO A 45 -4.769 -3.119 -17.114 1.00 0.00 O ATOM 255 CB PRO A 45 -3.941 -0.612 -18.981 1.00 0.00 C ATOM 256 CG PRO A 45 -5.356 -0.544 -19.455 1.00 0.00 C ATOM 257 CD PRO A 45 -5.592 -1.783 -20.325 1.00 0.00 C ATOM 0 HA PRO A 45 -2.547 -2.296 -19.217 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -3.837 -0.161 -17.994 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.277 -0.067 -19.652 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -6.046 -0.527 -18.611 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.529 0.368 -20.026 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.583 -2.205 -20.156 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.524 -1.543 -21.386 1.00 0.00 H new ATOM 265 N ILE A 46 -2.573 -2.675 -16.822 1.00 0.00 N ATOM 266 CA ILE A 46 -2.517 -3.201 -15.457 1.00 0.00 C ATOM 267 C ILE A 46 -2.112 -2.091 -14.496 1.00 0.00 C ATOM 268 O ILE A 46 -1.345 -1.201 -14.856 1.00 0.00 O ATOM 269 CB ILE A 46 -1.492 -4.332 -15.380 1.00 0.00 C ATOM 270 CG1 ILE A 46 -1.598 -5.040 -14.030 1.00 0.00 C ATOM 271 CG2 ILE A 46 -0.085 -3.756 -15.525 1.00 0.00 C ATOM 272 CD1 ILE A 46 -0.737 -6.308 -14.056 1.00 0.00 C ATOM 0 H ILE A 46 -1.685 -2.311 -17.167 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.501 -3.582 -15.182 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.689 -5.043 -16.182 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.266 -4.377 -13.231 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.637 -5.296 -13.821 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.646 -4.563 -15.470 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.004 -3.251 -16.487 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.101 -3.043 -14.722 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.809 -6.817 -13.095 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.090 -6.972 -14.845 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.302 -6.039 -14.247 1.00 0.00 H new ATOM 284 N GLU A 47 -2.636 -2.140 -13.280 1.00 0.00 N ATOM 285 CA GLU A 47 -2.317 -1.107 -12.306 1.00 0.00 C ATOM 286 C GLU A 47 -1.785 -1.691 -11.005 1.00 0.00 C ATOM 287 O GLU A 47 -2.389 -2.584 -10.407 1.00 0.00 O ATOM 288 CB GLU A 47 -3.555 -0.271 -12.001 1.00 0.00 C ATOM 289 CG GLU A 47 -3.133 0.930 -11.156 1.00 0.00 C ATOM 290 CD GLU A 47 -4.351 1.746 -10.745 1.00 0.00 C ATOM 291 OE1 GLU A 47 -5.448 1.346 -11.090 1.00 0.00 O ATOM 292 OE2 GLU A 47 -4.169 2.758 -10.087 1.00 0.00 O ATOM 0 H GLU A 47 -3.270 -2.867 -12.949 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.538 -0.484 -12.746 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.024 0.063 -12.927 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.294 -0.869 -11.467 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.600 0.589 -10.269 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.442 1.556 -11.722 1.00 0.00 H new ATOM 299 N LEU A 48 -0.658 -1.152 -10.567 1.00 0.00 N ATOM 300 CA LEU A 48 -0.037 -1.576 -9.327 1.00 0.00 C ATOM 301 C LEU A 48 -0.038 -0.408 -8.347 1.00 0.00 C ATOM 302 O LEU A 48 0.205 0.730 -8.745 1.00 0.00 O ATOM 303 CB LEU A 48 1.391 -2.023 -9.601 1.00 0.00 C ATOM 304 CG LEU A 48 1.390 -3.050 -10.731 1.00 0.00 C ATOM 305 CD1 LEU A 48 2.810 -3.550 -10.968 1.00 0.00 C ATOM 306 CD2 LEU A 48 0.505 -4.235 -10.355 1.00 0.00 C ATOM 0 H LEU A 48 -0.153 -0.414 -11.058 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.593 -2.410 -8.899 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.007 -1.166 -9.874 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.828 -2.456 -8.701 1.00 0.00 H new ATOM 0 HG LEU A 48 1.006 -2.579 -11.636 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.808 -4.283 -11.775 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.450 -2.711 -11.242 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.189 -4.014 -10.057 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.509 -4.964 -11.166 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.887 -4.701 -9.447 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.514 -3.888 -10.184 1.00 0.00 H new ATOM 318 N ARG A 49 -0.308 -0.673 -7.074 1.00 0.00 N ATOM 319 CA ARG A 49 -0.320 0.408 -6.093 1.00 0.00 C ATOM 320 C ARG A 49 0.078 -0.096 -4.708 1.00 0.00 C ATOM 321 O ARG A 49 -0.434 -1.109 -4.232 1.00 0.00 O ATOM 322 CB ARG A 49 -1.712 1.045 -6.021 1.00 0.00 C ATOM 323 CG ARG A 49 -2.135 1.535 -7.408 1.00 0.00 C ATOM 324 CD ARG A 49 -3.408 2.378 -7.282 1.00 0.00 C ATOM 325 NE ARG A 49 -3.102 3.788 -7.519 1.00 0.00 N ATOM 326 CZ ARG A 49 -3.995 4.614 -8.066 1.00 0.00 C ATOM 327 NH1 ARG A 49 -5.180 4.177 -8.405 1.00 0.00 N ATOM 328 NH2 ARG A 49 -3.684 5.866 -8.265 1.00 0.00 N ATOM 0 H ARG A 49 -0.516 -1.600 -6.703 1.00 0.00 H new ATOM 0 HA ARG A 49 0.408 1.153 -6.414 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.434 0.320 -5.647 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.704 1.878 -5.319 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.337 2.126 -7.856 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.312 0.686 -8.068 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.154 2.034 -7.999 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.839 2.253 -6.289 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.184 4.149 -7.260 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.426 3.199 -8.252 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.858 4.814 -8.823 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.760 6.210 -8.002 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.365 6.500 -8.683 1.00 0.00 H new ATOM 342 N CYS A 50 1.002 0.623 -4.076 1.00 0.00 N ATOM 343 CA CYS A 50 1.482 0.256 -2.752 1.00 0.00 C ATOM 344 C CYS A 50 0.772 1.060 -1.670 1.00 0.00 C ATOM 345 O CYS A 50 0.336 2.188 -1.905 1.00 0.00 O ATOM 346 CB CYS A 50 2.985 0.510 -2.668 1.00 0.00 C ATOM 347 SG CYS A 50 3.868 -0.898 -3.373 1.00 0.00 S ATOM 0 H CYS A 50 1.432 1.463 -4.462 1.00 0.00 H new ATOM 0 HA CYS A 50 1.271 -0.801 -2.591 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.242 1.422 -3.207 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.283 0.658 -1.630 1.00 0.00 H new ATOM 352 N PRO A 51 0.655 0.502 -0.495 1.00 0.00 N ATOM 353 CA PRO A 51 -0.015 1.171 0.656 1.00 0.00 C ATOM 354 C PRO A 51 0.869 2.232 1.304 1.00 0.00 C ATOM 355 O PRO A 51 2.093 2.205 1.161 1.00 0.00 O ATOM 356 CB PRO A 51 -0.275 0.017 1.621 1.00 0.00 C ATOM 357 CG PRO A 51 0.845 -0.934 1.369 1.00 0.00 C ATOM 358 CD PRO A 51 1.153 -0.836 -0.127 1.00 0.00 C ATOM 0 HA PRO A 51 -0.917 1.706 0.357 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.282 0.358 2.656 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.242 -0.449 1.433 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.720 -0.674 1.965 1.00 0.00 H new ATOM 0 HG3 PRO A 51 0.563 -1.950 1.644 1.00 0.00 H new ATOM 0 HD2 PRO A 51 2.220 -0.935 -0.324 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.650 -1.621 -0.692 1.00 0.00 H new ATOM 366 N GLY A 52 0.244 3.143 2.040 1.00 0.00 N ATOM 367 CA GLY A 52 0.980 4.191 2.737 1.00 0.00 C ATOM 368 C GLY A 52 1.889 4.960 1.789 1.00 0.00 C ATOM 369 O GLY A 52 1.423 5.620 0.863 1.00 0.00 O ATOM 0 H GLY A 52 -0.767 3.178 2.170 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.277 4.879 3.207 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.576 3.749 3.535 1.00 0.00 H new ATOM 373 N SER A 53 3.190 4.874 2.033 1.00 0.00 N ATOM 374 CA SER A 53 4.158 5.574 1.200 1.00 0.00 C ATOM 375 C SER A 53 5.282 4.636 0.781 1.00 0.00 C ATOM 376 O SER A 53 6.406 5.065 0.509 1.00 0.00 O ATOM 377 CB SER A 53 4.718 6.771 1.962 1.00 0.00 C ATOM 378 OG SER A 53 5.341 6.323 3.157 1.00 0.00 O ATOM 0 H SER A 53 3.597 4.331 2.795 1.00 0.00 H new ATOM 0 HA SER A 53 3.659 5.927 0.298 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.438 7.305 1.342 1.00 0.00 H new ATOM 0 HB3 SER A 53 3.918 7.472 2.198 1.00 0.00 H new ATOM 0 HG SER A 53 5.702 7.092 3.646 1.00 0.00 H new ATOM 384 N ASP A 54 4.952 3.352 0.714 1.00 0.00 N ATOM 385 CA ASP A 54 5.904 2.332 0.306 1.00 0.00 C ATOM 386 C ASP A 54 6.097 2.382 -1.205 1.00 0.00 C ATOM 387 O ASP A 54 5.362 3.077 -1.906 1.00 0.00 O ATOM 388 CB ASP A 54 5.405 0.954 0.730 1.00 0.00 C ATOM 389 CG ASP A 54 5.541 0.798 2.241 1.00 0.00 C ATOM 390 OD1 ASP A 54 5.568 1.811 2.921 1.00 0.00 O ATOM 391 OD2 ASP A 54 5.614 -0.331 2.697 1.00 0.00 O ATOM 0 H ASP A 54 4.024 2.993 0.939 1.00 0.00 H new ATOM 0 HA ASP A 54 6.862 2.521 0.791 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.364 0.827 0.434 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.977 0.178 0.222 1.00 0.00 H new ATOM 396 N VAL A 55 7.074 1.643 -1.710 1.00 0.00 N ATOM 397 CA VAL A 55 7.317 1.630 -3.142 1.00 0.00 C ATOM 398 C VAL A 55 7.241 0.204 -3.682 1.00 0.00 C ATOM 399 O VAL A 55 7.658 -0.750 -3.022 1.00 0.00 O ATOM 400 CB VAL A 55 8.693 2.236 -3.443 1.00 0.00 C ATOM 401 CG1 VAL A 55 8.727 3.695 -2.981 1.00 0.00 C ATOM 402 CG2 VAL A 55 9.766 1.455 -2.689 1.00 0.00 C ATOM 0 H VAL A 55 7.700 1.055 -1.160 1.00 0.00 H new ATOM 0 HA VAL A 55 6.550 2.228 -3.634 1.00 0.00 H new ATOM 0 HB VAL A 55 8.879 2.186 -4.516 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.706 4.122 -3.197 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.960 4.262 -3.509 1.00 0.00 H new ATOM 0 HG13 VAL A 55 8.539 3.741 -1.908 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.745 1.884 -2.902 1.00 0.00 H new ATOM 0 HG22 VAL A 55 9.571 1.509 -1.618 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.749 0.413 -3.008 1.00 0.00 H new ATOM 412 N ILE A 56 6.688 0.071 -4.883 1.00 0.00 N ATOM 413 CA ILE A 56 6.542 -1.230 -5.520 1.00 0.00 C ATOM 414 C ILE A 56 7.899 -1.811 -5.876 1.00 0.00 C ATOM 415 O ILE A 56 8.771 -1.111 -6.392 1.00 0.00 O ATOM 416 CB ILE A 56 5.705 -1.085 -6.795 1.00 0.00 C ATOM 417 CG1 ILE A 56 4.313 -0.565 -6.434 1.00 0.00 C ATOM 418 CG2 ILE A 56 5.574 -2.436 -7.503 1.00 0.00 C ATOM 419 CD1 ILE A 56 3.554 -0.254 -7.723 1.00 0.00 C ATOM 0 H ILE A 56 6.333 0.852 -5.435 1.00 0.00 H new ATOM 0 HA ILE A 56 6.045 -1.903 -4.821 1.00 0.00 H new ATOM 0 HB ILE A 56 6.201 -0.382 -7.464 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.773 -1.308 -5.848 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.393 0.330 -5.818 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.977 -2.317 -8.407 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.565 -2.805 -7.769 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.087 -3.150 -6.838 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.559 0.118 -7.479 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.095 0.503 -8.290 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.466 -1.161 -8.321 1.00 0.00 H new ATOM 431 N MET A 57 8.066 -3.096 -5.619 1.00 0.00 N ATOM 432 CA MET A 57 9.309 -3.762 -5.947 1.00 0.00 C ATOM 433 C MET A 57 8.988 -5.094 -6.614 1.00 0.00 C ATOM 434 O MET A 57 8.587 -6.060 -5.964 1.00 0.00 O ATOM 435 CB MET A 57 10.176 -3.938 -4.696 1.00 0.00 C ATOM 436 CG MET A 57 9.339 -4.466 -3.530 1.00 0.00 C ATOM 437 SD MET A 57 10.395 -5.447 -2.434 1.00 0.00 S ATOM 438 CE MET A 57 11.851 -4.365 -2.440 1.00 0.00 C ATOM 0 H MET A 57 7.361 -3.694 -5.187 1.00 0.00 H new ATOM 0 HA MET A 57 9.887 -3.154 -6.643 1.00 0.00 H new ATOM 0 HB2 MET A 57 10.992 -4.629 -4.907 1.00 0.00 H new ATOM 0 HB3 MET A 57 10.628 -2.984 -4.423 1.00 0.00 H new ATOM 0 HG2 MET A 57 8.896 -3.636 -2.980 1.00 0.00 H new ATOM 0 HG3 MET A 57 8.517 -5.076 -3.904 1.00 0.00 H new ATOM 0 HE1 MET A 57 12.436 -4.537 -1.536 1.00 0.00 H new ATOM 0 HE2 MET A 57 12.463 -4.583 -3.315 1.00 0.00 H new ATOM 0 HE3 MET A 57 11.530 -3.324 -2.472 1.00 0.00 H new ATOM 448 N VAL A 58 9.131 -5.103 -7.938 1.00 0.00 N ATOM 449 CA VAL A 58 8.820 -6.290 -8.727 1.00 0.00 C ATOM 450 C VAL A 58 9.749 -7.443 -8.373 1.00 0.00 C ATOM 451 O VAL A 58 10.973 -7.319 -8.432 1.00 0.00 O ATOM 452 CB VAL A 58 8.900 -5.993 -10.229 1.00 0.00 C ATOM 453 CG1 VAL A 58 8.381 -7.202 -11.012 1.00 0.00 C ATOM 454 CG2 VAL A 58 8.033 -4.778 -10.563 1.00 0.00 C ATOM 0 H VAL A 58 9.459 -4.306 -8.483 1.00 0.00 H new ATOM 0 HA VAL A 58 7.798 -6.582 -8.486 1.00 0.00 H new ATOM 0 HB VAL A 58 9.936 -5.789 -10.499 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.436 -6.994 -12.081 1.00 0.00 H new ATOM 0 HG12 VAL A 58 8.991 -8.075 -10.780 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.346 -7.398 -10.734 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.093 -4.571 -11.631 1.00 0.00 H new ATOM 0 HG22 VAL A 58 6.998 -4.984 -10.291 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.389 -3.912 -10.005 1.00 0.00 H new ATOM 464 N GLU A 59 9.148 -8.566 -7.999 1.00 0.00 N ATOM 465 CA GLU A 59 9.908 -9.748 -7.627 1.00 0.00 C ATOM 466 C GLU A 59 9.928 -10.720 -8.797 1.00 0.00 C ATOM 467 O GLU A 59 10.988 -11.183 -9.220 1.00 0.00 O ATOM 468 CB GLU A 59 9.251 -10.405 -6.410 1.00 0.00 C ATOM 469 CG GLU A 59 9.314 -9.437 -5.228 1.00 0.00 C ATOM 470 CD GLU A 59 10.759 -9.263 -4.782 1.00 0.00 C ATOM 471 OE1 GLU A 59 11.559 -10.130 -5.094 1.00 0.00 O ATOM 472 OE2 GLU A 59 11.043 -8.272 -4.134 1.00 0.00 O ATOM 0 H GLU A 59 8.136 -8.681 -7.946 1.00 0.00 H new ATOM 0 HA GLU A 59 10.932 -9.470 -7.376 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.215 -10.660 -6.633 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.762 -11.335 -6.163 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.893 -8.473 -5.513 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.712 -9.817 -4.402 1.00 0.00 H new ATOM 479 N ASN A 60 8.743 -11.025 -9.314 1.00 0.00 N ATOM 480 CA ASN A 60 8.620 -11.945 -10.434 1.00 0.00 C ATOM 481 C ASN A 60 7.375 -11.625 -11.249 1.00 0.00 C ATOM 482 O ASN A 60 6.382 -11.123 -10.724 1.00 0.00 O ATOM 483 CB ASN A 60 8.515 -13.378 -9.914 1.00 0.00 C ATOM 484 CG ASN A 60 9.680 -13.678 -8.981 1.00 0.00 C ATOM 485 OD1 ASN A 60 10.836 -13.640 -9.396 1.00 0.00 O ATOM 486 ND2 ASN A 60 9.441 -13.971 -7.733 1.00 0.00 N ATOM 0 H ASN A 60 7.857 -10.649 -8.975 1.00 0.00 H new ATOM 0 HA ASN A 60 9.502 -11.840 -11.066 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.571 -13.514 -9.386 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.517 -14.078 -10.749 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.215 -14.169 -7.099 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.480 -14.002 -7.391 1.00 0.00 H new ATOM 493 N ALA A 61 7.438 -11.922 -12.539 1.00 0.00 N ATOM 494 CA ALA A 61 6.314 -11.671 -13.428 1.00 0.00 C ATOM 495 C ALA A 61 6.551 -12.362 -14.774 1.00 0.00 C ATOM 496 O ALA A 61 7.693 -12.625 -15.153 1.00 0.00 O ATOM 497 CB ALA A 61 6.120 -10.159 -13.613 1.00 0.00 C ATOM 0 H ALA A 61 8.253 -12.336 -12.992 1.00 0.00 H new ATOM 0 HA ALA A 61 5.405 -12.081 -12.987 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.277 -9.979 -14.280 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.923 -9.696 -12.646 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.023 -9.727 -14.045 1.00 0.00 H new ATOM 503 N ASN A 62 5.466 -12.664 -15.485 1.00 0.00 N ATOM 504 CA ASN A 62 5.559 -13.337 -16.783 1.00 0.00 C ATOM 505 C ASN A 62 4.464 -12.847 -17.718 1.00 0.00 C ATOM 506 O ASN A 62 3.358 -12.521 -17.280 1.00 0.00 O ATOM 507 CB ASN A 62 5.408 -14.858 -16.610 1.00 0.00 C ATOM 508 CG ASN A 62 5.483 -15.557 -17.968 1.00 0.00 C ATOM 509 OD1 ASN A 62 6.572 -15.787 -18.489 1.00 0.00 O ATOM 510 ND2 ASN A 62 4.380 -15.906 -18.579 1.00 0.00 N ATOM 0 H ASN A 62 4.513 -12.455 -15.187 1.00 0.00 H new ATOM 0 HA ASN A 62 6.536 -13.107 -17.208 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.193 -15.236 -15.955 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.456 -15.083 -16.129 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.424 -16.369 -19.487 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.476 -15.716 -18.147 1.00 0.00 H new ATOM 517 N TYR A 63 4.767 -12.815 -19.008 1.00 0.00 N ATOM 518 CA TYR A 63 3.799 -12.389 -20.005 1.00 0.00 C ATOM 519 C TYR A 63 3.559 -13.534 -20.975 1.00 0.00 C ATOM 520 O TYR A 63 4.484 -13.998 -21.641 1.00 0.00 O ATOM 521 CB TYR A 63 4.339 -11.169 -20.753 1.00 0.00 C ATOM 522 CG TYR A 63 3.403 -10.793 -21.877 1.00 0.00 C ATOM 523 CD1 TYR A 63 2.068 -10.466 -21.606 1.00 0.00 C ATOM 524 CD2 TYR A 63 3.876 -10.763 -23.194 1.00 0.00 C ATOM 525 CE1 TYR A 63 1.210 -10.110 -22.654 1.00 0.00 C ATOM 526 CE2 TYR A 63 3.020 -10.409 -24.240 1.00 0.00 C ATOM 527 CZ TYR A 63 1.687 -10.083 -23.971 1.00 0.00 C ATOM 528 OH TYR A 63 0.843 -9.732 -25.005 1.00 0.00 O ATOM 0 H TYR A 63 5.676 -13.079 -19.387 1.00 0.00 H new ATOM 0 HA TYR A 63 2.860 -12.117 -19.524 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.449 -10.331 -20.065 1.00 0.00 H new ATOM 0 HB3 TYR A 63 5.330 -11.386 -21.152 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.701 -10.488 -20.590 1.00 0.00 H new ATOM 0 HD2 TYR A 63 4.906 -11.014 -23.402 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.181 -9.856 -22.447 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.387 -10.387 -25.255 1.00 0.00 H new ATOM 0 HH TYR A 63 1.334 -9.763 -25.853 1.00 0.00 H new ATOM 538 N GLY A 64 2.324 -14.013 -21.025 1.00 0.00 N ATOM 539 CA GLY A 64 1.999 -15.136 -21.893 1.00 0.00 C ATOM 540 C GLY A 64 0.713 -15.800 -21.422 1.00 0.00 C ATOM 541 O GLY A 64 -0.276 -15.127 -21.134 1.00 0.00 O ATOM 0 H GLY A 64 1.541 -13.648 -20.483 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.885 -14.791 -22.921 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.815 -15.859 -21.888 1.00 0.00 H new ATOM 545 N ARG A 65 0.747 -17.124 -21.340 1.00 0.00 N ATOM 546 CA ARG A 65 -0.413 -17.882 -20.887 1.00 0.00 C ATOM 547 C ARG A 65 -0.003 -19.249 -20.351 1.00 0.00 C ATOM 548 O ARG A 65 0.578 -20.066 -21.067 1.00 0.00 O ATOM 549 CB ARG A 65 -1.436 -18.069 -22.011 1.00 0.00 C ATOM 550 CG ARG A 65 -2.350 -19.241 -21.642 1.00 0.00 C ATOM 551 CD ARG A 65 -3.725 -19.079 -22.291 1.00 0.00 C ATOM 552 NE ARG A 65 -4.738 -18.903 -21.257 1.00 0.00 N ATOM 553 CZ ARG A 65 -5.019 -17.707 -20.743 1.00 0.00 C ATOM 554 NH1 ARG A 65 -4.379 -16.643 -21.146 1.00 0.00 N ATOM 555 NH2 ARG A 65 -5.932 -17.602 -19.820 1.00 0.00 N ATOM 0 H ARG A 65 1.559 -17.692 -21.579 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.872 -17.305 -20.085 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -2.021 -17.160 -22.146 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.930 -18.266 -22.956 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.897 -20.178 -21.967 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.458 -19.297 -20.559 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.723 -18.220 -22.961 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.958 -19.955 -22.896 1.00 0.00 H new ATOM 0 HE ARG A 65 -5.246 -19.720 -20.918 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.656 -16.723 -21.861 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.602 -15.732 -20.746 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -6.427 -18.433 -19.495 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.152 -16.689 -19.422 1.00 0.00 H new ATOM 569 N THR A 66 -0.324 -19.487 -19.087 1.00 0.00 N ATOM 570 CA THR A 66 -0.005 -20.756 -18.449 1.00 0.00 C ATOM 571 C THR A 66 -1.284 -21.431 -17.972 1.00 0.00 C ATOM 572 O THR A 66 -1.242 -22.439 -17.268 1.00 0.00 O ATOM 573 CB THR A 66 0.931 -20.526 -17.259 1.00 0.00 C ATOM 574 OG1 THR A 66 0.197 -19.939 -16.195 1.00 0.00 O ATOM 575 CG2 THR A 66 2.069 -19.592 -17.667 1.00 0.00 C ATOM 0 H THR A 66 -0.804 -18.819 -18.484 1.00 0.00 H new ATOM 0 HA THR A 66 0.493 -21.400 -19.174 1.00 0.00 H new ATOM 0 HB THR A 66 1.349 -21.480 -16.938 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.103 -18.977 -16.354 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.731 -19.432 -16.816 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.632 -20.040 -18.486 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.657 -18.636 -17.990 1.00 0.00 H new ATOM 583 N ASP A 67 -2.422 -20.867 -18.365 1.00 0.00 N ATOM 584 CA ASP A 67 -3.717 -21.414 -17.974 1.00 0.00 C ATOM 585 C ASP A 67 -4.730 -21.228 -19.102 1.00 0.00 C ATOM 586 O ASP A 67 -4.362 -20.900 -20.230 1.00 0.00 O ATOM 587 CB ASP A 67 -4.212 -20.714 -16.704 1.00 0.00 C ATOM 588 CG ASP A 67 -5.361 -21.498 -16.078 1.00 0.00 C ATOM 589 OD1 ASP A 67 -5.745 -22.506 -16.651 1.00 0.00 O ATOM 590 OD2 ASP A 67 -5.839 -21.081 -15.033 1.00 0.00 O ATOM 0 H ASP A 67 -2.474 -20.034 -18.952 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.607 -22.480 -17.775 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -3.394 -20.622 -15.989 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.541 -19.703 -16.943 1.00 0.00 H new ATOM 595 N ASP A 68 -6.006 -21.415 -18.790 1.00 0.00 N ATOM 596 CA ASP A 68 -7.056 -21.237 -19.789 1.00 0.00 C ATOM 597 C ASP A 68 -8.347 -20.784 -19.126 1.00 0.00 C ATOM 598 O ASP A 68 -9.363 -20.579 -19.791 1.00 0.00 O ATOM 599 CB ASP A 68 -7.302 -22.528 -20.567 1.00 0.00 C ATOM 600 CG ASP A 68 -7.937 -23.575 -19.664 1.00 0.00 C ATOM 601 OD1 ASP A 68 -7.936 -23.368 -18.465 1.00 0.00 O ATOM 602 OD2 ASP A 68 -8.413 -24.569 -20.185 1.00 0.00 O ATOM 0 H ASP A 68 -6.338 -21.687 -17.865 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.723 -20.471 -20.489 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.953 -22.329 -21.419 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.361 -22.905 -20.967 1.00 0.00 H new ATOM 607 N LYS A 69 -8.298 -20.629 -17.815 1.00 0.00 N ATOM 608 CA LYS A 69 -9.465 -20.197 -17.071 1.00 0.00 C ATOM 609 C LYS A 69 -9.364 -18.724 -16.691 1.00 0.00 C ATOM 610 O LYS A 69 -10.246 -18.192 -16.017 1.00 0.00 O ATOM 611 CB LYS A 69 -9.610 -21.049 -15.817 1.00 0.00 C ATOM 612 CG LYS A 69 -10.060 -22.447 -16.226 1.00 0.00 C ATOM 613 CD LYS A 69 -10.278 -23.302 -14.980 1.00 0.00 C ATOM 614 CE LYS A 69 -11.616 -22.934 -14.343 1.00 0.00 C ATOM 615 NZ LYS A 69 -11.867 -23.805 -13.163 1.00 0.00 N ATOM 0 H LYS A 69 -7.467 -20.795 -17.247 1.00 0.00 H new ATOM 0 HA LYS A 69 -10.343 -20.320 -17.704 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.662 -21.099 -15.282 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.336 -20.602 -15.138 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.982 -22.388 -16.804 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.310 -22.908 -16.868 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.267 -24.359 -15.244 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.467 -23.142 -14.269 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.609 -21.887 -14.039 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.420 -23.050 -15.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.779 -23.551 -12.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.891 -24.800 -13.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.106 -23.673 -12.466 1.00 0.00 H new ATOM 629 N ILE A 70 -8.299 -18.060 -17.129 1.00 0.00 N ATOM 630 CA ILE A 70 -8.119 -16.643 -16.822 1.00 0.00 C ATOM 631 C ILE A 70 -8.447 -15.799 -18.047 1.00 0.00 C ATOM 632 O ILE A 70 -8.060 -16.135 -19.168 1.00 0.00 O ATOM 633 CB ILE A 70 -6.679 -16.361 -16.383 1.00 0.00 C ATOM 634 CG1 ILE A 70 -6.317 -17.269 -15.206 1.00 0.00 C ATOM 635 CG2 ILE A 70 -6.566 -14.896 -15.955 1.00 0.00 C ATOM 636 CD1 ILE A 70 -7.332 -17.077 -14.080 1.00 0.00 C ATOM 0 H ILE A 70 -7.555 -18.473 -17.691 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.794 -16.383 -16.006 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.996 -16.556 -17.210 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.307 -18.311 -15.527 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -5.314 -17.036 -14.849 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -5.544 -14.687 -15.641 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.827 -14.251 -16.794 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.247 -14.706 -15.125 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -7.073 -17.724 -13.242 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -7.320 -16.037 -13.753 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -8.328 -17.332 -14.441 1.00 0.00 H new ATOM 648 N CYS A 71 -9.188 -14.720 -17.832 1.00 0.00 N ATOM 649 CA CYS A 71 -9.595 -13.859 -18.938 1.00 0.00 C ATOM 650 C CYS A 71 -10.259 -14.723 -20.002 1.00 0.00 C ATOM 651 O CYS A 71 -9.657 -15.026 -21.032 1.00 0.00 O ATOM 652 CB CYS A 71 -8.392 -13.136 -19.545 1.00 0.00 C ATOM 653 SG CYS A 71 -7.595 -12.102 -18.290 1.00 0.00 S ATOM 0 H CYS A 71 -9.517 -14.421 -16.914 1.00 0.00 H new ATOM 0 HA CYS A 71 -10.289 -13.105 -18.566 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -7.680 -13.863 -19.936 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -8.713 -12.520 -20.385 1.00 0.00 H new ATOM 658 N ASP A 72 -11.486 -15.147 -19.723 1.00 0.00 N ATOM 659 CA ASP A 72 -12.215 -16.016 -20.640 1.00 0.00 C ATOM 660 C ASP A 72 -12.257 -15.450 -22.051 1.00 0.00 C ATOM 661 O ASP A 72 -13.036 -14.550 -22.363 1.00 0.00 O ATOM 662 CB ASP A 72 -13.631 -16.265 -20.128 1.00 0.00 C ATOM 663 CG ASP A 72 -14.369 -14.947 -19.933 1.00 0.00 C ATOM 664 OD1 ASP A 72 -13.851 -13.930 -20.363 1.00 0.00 O ATOM 665 OD2 ASP A 72 -15.445 -14.976 -19.358 1.00 0.00 O ATOM 0 H ASP A 72 -11.995 -14.905 -18.873 1.00 0.00 H new ATOM 0 HA ASP A 72 -11.678 -16.964 -20.683 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -14.175 -16.891 -20.835 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -13.592 -16.809 -19.185 1.00 0.00 H new ATOM 670 N ALA A 73 -11.419 -16.023 -22.901 1.00 0.00 N ATOM 671 CA ALA A 73 -11.346 -15.628 -24.296 1.00 0.00 C ATOM 672 C ALA A 73 -11.805 -16.794 -25.162 1.00 0.00 C ATOM 673 O ALA A 73 -12.319 -17.787 -24.649 1.00 0.00 O ATOM 674 CB ALA A 73 -9.908 -15.248 -24.645 1.00 0.00 C ATOM 0 H ALA A 73 -10.774 -16.771 -22.644 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.990 -14.767 -24.475 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.854 -14.952 -25.693 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.588 -14.417 -24.016 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.254 -16.104 -24.476 1.00 0.00 H new ATOM 680 N ASP A 74 -11.617 -16.686 -26.469 1.00 0.00 N ATOM 681 CA ASP A 74 -12.026 -17.762 -27.354 1.00 0.00 C ATOM 682 C ASP A 74 -11.294 -19.059 -26.985 1.00 0.00 C ATOM 683 O ASP A 74 -10.118 -19.042 -26.603 1.00 0.00 O ATOM 684 CB ASP A 74 -11.754 -17.385 -28.809 1.00 0.00 C ATOM 685 CG ASP A 74 -10.479 -16.556 -28.913 1.00 0.00 C ATOM 686 OD1 ASP A 74 -9.997 -16.105 -27.887 1.00 0.00 O ATOM 687 OD2 ASP A 74 -10.005 -16.383 -30.021 1.00 0.00 O ATOM 0 H ASP A 74 -11.193 -15.882 -26.931 1.00 0.00 H new ATOM 0 HA ASP A 74 -13.097 -17.925 -27.237 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.659 -18.287 -29.414 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -12.596 -16.820 -29.209 1.00 0.00 H new ATOM 692 N PRO A 75 -11.974 -20.172 -27.066 1.00 0.00 N ATOM 693 CA PRO A 75 -11.403 -21.500 -26.697 1.00 0.00 C ATOM 694 C PRO A 75 -10.094 -21.807 -27.418 1.00 0.00 C ATOM 695 O PRO A 75 -9.167 -22.366 -26.823 1.00 0.00 O ATOM 696 CB PRO A 75 -12.491 -22.512 -27.090 1.00 0.00 C ATOM 697 CG PRO A 75 -13.527 -21.760 -27.861 1.00 0.00 C ATOM 698 CD PRO A 75 -13.360 -20.281 -27.531 1.00 0.00 C ATOM 0 HA PRO A 75 -11.150 -21.533 -25.637 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -12.070 -23.317 -27.693 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -12.928 -22.972 -26.204 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -13.407 -21.930 -28.931 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -14.527 -22.102 -27.594 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -13.537 -19.655 -28.406 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -14.064 -19.962 -26.763 1.00 0.00 H new ATOM 706 N PHE A 76 -10.028 -21.450 -28.694 1.00 0.00 N ATOM 707 CA PHE A 76 -8.841 -21.712 -29.496 1.00 0.00 C ATOM 708 C PHE A 76 -7.632 -20.921 -29.002 1.00 0.00 C ATOM 709 O PHE A 76 -6.500 -21.393 -29.091 1.00 0.00 O ATOM 710 CB PHE A 76 -9.126 -21.352 -30.953 1.00 0.00 C ATOM 711 CG PHE A 76 -10.310 -22.155 -31.440 1.00 0.00 C ATOM 712 CD1 PHE A 76 -10.172 -23.520 -31.727 1.00 0.00 C ATOM 713 CD2 PHE A 76 -11.550 -21.528 -31.601 1.00 0.00 C ATOM 714 CE1 PHE A 76 -11.279 -24.256 -32.176 1.00 0.00 C ATOM 715 CE2 PHE A 76 -12.655 -22.262 -32.050 1.00 0.00 C ATOM 716 CZ PHE A 76 -12.519 -23.623 -32.338 1.00 0.00 C ATOM 0 H PHE A 76 -10.781 -20.979 -29.195 1.00 0.00 H new ATOM 0 HA PHE A 76 -8.603 -22.772 -29.406 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.333 -20.286 -31.043 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.252 -21.560 -31.569 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -9.215 -24.005 -31.603 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.655 -20.476 -31.379 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -11.176 -25.308 -32.396 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -13.612 -21.777 -32.174 1.00 0.00 H new ATOM 0 HZ PHE A 76 -13.371 -24.188 -32.686 1.00 0.00 H new ATOM 726 N GLN A 77 -7.866 -19.719 -28.493 1.00 0.00 N ATOM 727 CA GLN A 77 -6.765 -18.895 -28.006 1.00 0.00 C ATOM 728 C GLN A 77 -6.503 -19.162 -26.532 1.00 0.00 C ATOM 729 O GLN A 77 -5.528 -18.668 -25.965 1.00 0.00 O ATOM 730 CB GLN A 77 -7.095 -17.418 -28.212 1.00 0.00 C ATOM 731 CG GLN A 77 -7.365 -17.180 -29.699 1.00 0.00 C ATOM 732 CD GLN A 77 -7.573 -15.694 -29.975 1.00 0.00 C ATOM 733 OE1 GLN A 77 -7.775 -14.868 -28.984 1.00 0.00 O flip ATOM 734 NE2 GLN A 77 -7.559 -15.277 -31.133 1.00 0.00 N flip ATOM 0 H GLN A 77 -8.791 -19.297 -28.407 1.00 0.00 H new ATOM 0 HA GLN A 77 -5.867 -19.150 -28.569 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -7.967 -17.139 -27.620 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.267 -16.795 -27.873 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -6.528 -17.552 -30.290 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -8.248 -17.740 -30.008 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -7.401 -15.923 -31.906 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -7.705 -14.285 -31.320 1.00 0.00 H new ATOM 743 N MET A 78 -7.389 -19.931 -25.917 1.00 0.00 N ATOM 744 CA MET A 78 -7.264 -20.253 -24.499 1.00 0.00 C ATOM 745 C MET A 78 -6.836 -21.708 -24.298 1.00 0.00 C ATOM 746 O MET A 78 -6.621 -22.148 -23.168 1.00 0.00 O ATOM 747 CB MET A 78 -8.616 -20.041 -23.817 1.00 0.00 C ATOM 748 CG MET A 78 -9.021 -18.565 -23.891 1.00 0.00 C ATOM 749 SD MET A 78 -8.118 -17.615 -22.644 1.00 0.00 S ATOM 750 CE MET A 78 -8.907 -18.337 -21.178 1.00 0.00 C ATOM 0 H MET A 78 -8.202 -20.344 -26.374 1.00 0.00 H new ATOM 0 HA MET A 78 -6.505 -19.602 -24.065 1.00 0.00 H new ATOM 0 HB2 MET A 78 -9.375 -20.658 -24.298 1.00 0.00 H new ATOM 0 HB3 MET A 78 -8.560 -20.358 -22.776 1.00 0.00 H new ATOM 0 HG2 MET A 78 -8.810 -18.170 -24.885 1.00 0.00 H new ATOM 0 HG3 MET A 78 -10.094 -18.465 -23.730 1.00 0.00 H new ATOM 0 HE1 MET A 78 -9.419 -17.555 -20.618 1.00 0.00 H new ATOM 0 HE2 MET A 78 -9.629 -19.093 -21.488 1.00 0.00 H new ATOM 0 HE3 MET A 78 -8.148 -18.798 -20.546 1.00 0.00 H new ATOM 760 N GLU A 79 -6.746 -22.456 -25.393 1.00 0.00 N ATOM 761 CA GLU A 79 -6.388 -23.872 -25.312 1.00 0.00 C ATOM 762 C GLU A 79 -4.956 -24.098 -24.844 1.00 0.00 C ATOM 763 O GLU A 79 -4.702 -25.007 -24.055 1.00 0.00 O ATOM 764 CB GLU A 79 -6.564 -24.530 -26.680 1.00 0.00 C ATOM 765 CG GLU A 79 -8.050 -24.759 -26.965 1.00 0.00 C ATOM 766 CD GLU A 79 -8.300 -26.211 -27.363 1.00 0.00 C ATOM 767 OE1 GLU A 79 -7.493 -27.054 -27.005 1.00 0.00 O ATOM 768 OE2 GLU A 79 -9.301 -26.459 -28.015 1.00 0.00 O ATOM 0 H GLU A 79 -6.914 -22.112 -26.339 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.054 -24.319 -24.574 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.130 -23.898 -27.455 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.030 -25.480 -26.707 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.638 -24.511 -26.081 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.380 -24.095 -27.764 1.00 0.00 H new ATOM 775 N ASN A 80 -4.014 -23.311 -25.345 1.00 0.00 N ATOM 776 CA ASN A 80 -2.610 -23.489 -24.976 1.00 0.00 C ATOM 777 C ASN A 80 -2.300 -22.909 -23.596 1.00 0.00 C ATOM 778 O ASN A 80 -2.488 -21.718 -23.360 1.00 0.00 O ATOM 779 CB ASN A 80 -1.737 -22.793 -26.017 1.00 0.00 C ATOM 780 CG ASN A 80 -0.313 -23.320 -25.952 1.00 0.00 C ATOM 781 OD1 ASN A 80 0.599 -22.608 -25.353 1.00 0.00 O flip ATOM 782 ND2 ASN A 80 -0.027 -24.406 -26.459 1.00 0.00 N flip ATOM 0 H ASN A 80 -4.190 -22.550 -26.001 1.00 0.00 H new ATOM 0 HA ASN A 80 -2.403 -24.559 -24.941 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -2.147 -22.957 -27.013 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.742 -21.717 -25.844 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -0.748 -24.956 -26.926 1.00 0.00 H new ATOM 0 HD22 ASN A 80 0.930 -24.755 -26.412 1.00 0.00 H new ATOM 789 N VAL A 81 -1.816 -23.763 -22.693 1.00 0.00 N ATOM 790 CA VAL A 81 -1.469 -23.329 -21.341 1.00 0.00 C ATOM 791 C VAL A 81 0.043 -23.376 -21.121 1.00 0.00 C ATOM 792 O VAL A 81 0.509 -23.615 -20.007 1.00 0.00 O ATOM 793 CB VAL A 81 -2.155 -24.220 -20.305 1.00 0.00 C ATOM 794 CG1 VAL A 81 -3.670 -24.174 -20.506 1.00 0.00 C ATOM 795 CG2 VAL A 81 -1.665 -25.662 -20.476 1.00 0.00 C ATOM 0 H VAL A 81 -1.656 -24.754 -22.873 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.811 -22.301 -21.224 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.913 -23.863 -19.304 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.155 -24.810 -19.766 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.022 -23.149 -20.389 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.915 -24.530 -21.507 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.151 -26.301 -19.739 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.909 -26.013 -21.479 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.585 -25.699 -20.332 1.00 0.00 H new ATOM 805 N GLN A 82 0.803 -23.140 -22.183 1.00 0.00 N ATOM 806 CA GLN A 82 2.256 -23.151 -22.086 1.00 0.00 C ATOM 807 C GLN A 82 2.847 -22.001 -22.902 1.00 0.00 C ATOM 808 O GLN A 82 3.205 -22.169 -24.067 1.00 0.00 O ATOM 809 CB GLN A 82 2.808 -24.487 -22.593 1.00 0.00 C ATOM 810 CG GLN A 82 2.289 -25.622 -21.705 1.00 0.00 C ATOM 811 CD GLN A 82 2.925 -25.536 -20.320 1.00 0.00 C ATOM 812 OE1 GLN A 82 4.137 -25.365 -20.204 1.00 0.00 O ATOM 813 NE2 GLN A 82 2.174 -25.647 -19.256 1.00 0.00 N ATOM 0 H GLN A 82 0.440 -22.940 -23.115 1.00 0.00 H new ATOM 0 HA GLN A 82 2.538 -23.025 -21.041 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.503 -24.650 -23.627 1.00 0.00 H new ATOM 0 HB3 GLN A 82 3.898 -24.471 -22.581 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.204 -25.561 -21.620 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.519 -26.585 -22.160 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.169 -25.789 -19.354 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.593 -25.592 -18.328 1.00 0.00 H new ATOM 822 N CYS A 83 2.950 -20.834 -22.273 1.00 0.00 N ATOM 823 CA CYS A 83 3.510 -19.656 -22.928 1.00 0.00 C ATOM 824 C CYS A 83 4.226 -18.805 -21.886 1.00 0.00 C ATOM 825 O CYS A 83 3.616 -18.388 -20.900 1.00 0.00 O ATOM 826 CB CYS A 83 2.403 -18.844 -23.602 1.00 0.00 C ATOM 827 SG CYS A 83 3.015 -17.184 -23.991 1.00 0.00 S ATOM 0 H CYS A 83 2.653 -20.679 -21.310 1.00 0.00 H new ATOM 0 HA CYS A 83 4.218 -19.969 -23.696 1.00 0.00 H new ATOM 0 HB2 CYS A 83 2.075 -19.344 -24.513 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.536 -18.778 -22.945 1.00 0.00 H new ATOM 832 N TYR A 84 5.522 -18.574 -22.085 1.00 0.00 N ATOM 833 CA TYR A 84 6.293 -17.806 -21.119 1.00 0.00 C ATOM 834 C TYR A 84 7.208 -16.778 -21.789 1.00 0.00 C ATOM 835 O TYR A 84 7.580 -16.919 -22.955 1.00 0.00 O ATOM 836 CB TYR A 84 7.134 -18.773 -20.285 1.00 0.00 C ATOM 837 CG TYR A 84 6.217 -19.670 -19.484 1.00 0.00 C ATOM 838 CD1 TYR A 84 5.606 -20.780 -20.086 1.00 0.00 C ATOM 839 CD2 TYR A 84 5.977 -19.386 -18.136 1.00 0.00 C ATOM 840 CE1 TYR A 84 4.752 -21.603 -19.335 1.00 0.00 C ATOM 841 CE2 TYR A 84 5.126 -20.207 -17.387 1.00 0.00 C ATOM 842 CZ TYR A 84 4.514 -21.316 -17.986 1.00 0.00 C ATOM 843 OH TYR A 84 3.674 -22.123 -17.249 1.00 0.00 O ATOM 0 H TYR A 84 6.050 -18.903 -22.893 1.00 0.00 H new ATOM 0 HA TYR A 84 5.594 -17.254 -20.490 1.00 0.00 H new ATOM 0 HB2 TYR A 84 7.771 -19.373 -20.935 1.00 0.00 H new ATOM 0 HB3 TYR A 84 7.793 -18.218 -19.617 1.00 0.00 H new ATOM 0 HD1 TYR A 84 5.792 -21.001 -21.127 1.00 0.00 H new ATOM 0 HD2 TYR A 84 6.449 -18.532 -17.672 1.00 0.00 H new ATOM 0 HE1 TYR A 84 4.279 -22.457 -19.798 1.00 0.00 H new ATOM 0 HE2 TYR A 84 4.941 -19.985 -16.346 1.00 0.00 H new ATOM 0 HH TYR A 84 3.618 -21.785 -16.331 1.00 0.00 H new ATOM 853 N LEU A 85 7.571 -15.746 -21.020 1.00 0.00 N ATOM 854 CA LEU A 85 8.449 -14.681 -21.506 1.00 0.00 C ATOM 855 C LEU A 85 9.314 -14.140 -20.366 1.00 0.00 C ATOM 856 O LEU A 85 8.930 -13.198 -19.680 1.00 0.00 O ATOM 857 CB LEU A 85 7.611 -13.537 -22.085 1.00 0.00 C ATOM 858 CG LEU A 85 8.535 -12.447 -22.631 1.00 0.00 C ATOM 859 CD1 LEU A 85 9.398 -13.030 -23.751 1.00 0.00 C ATOM 860 CD2 LEU A 85 7.695 -11.287 -23.183 1.00 0.00 C ATOM 0 H LEU A 85 7.267 -15.627 -20.054 1.00 0.00 H new ATOM 0 HA LEU A 85 9.094 -15.094 -22.281 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.966 -13.912 -22.879 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.960 -13.124 -21.314 1.00 0.00 H new ATOM 0 HG LEU A 85 9.175 -12.078 -21.829 1.00 0.00 H new ATOM 0 HD11 LEU A 85 10.058 -12.256 -24.142 1.00 0.00 H new ATOM 0 HD12 LEU A 85 9.996 -13.852 -23.359 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.756 -13.398 -24.551 1.00 0.00 H new ATOM 0 HD21 LEU A 85 8.356 -10.512 -23.571 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.053 -11.652 -23.985 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.079 -10.872 -22.385 1.00 0.00 H new ATOM 872 N PRO A 86 10.464 -14.716 -20.154 1.00 0.00 N ATOM 873 CA PRO A 86 11.401 -14.281 -19.068 1.00 0.00 C ATOM 874 C PRO A 86 11.628 -12.764 -19.040 1.00 0.00 C ATOM 875 O PRO A 86 11.522 -12.137 -17.985 1.00 0.00 O ATOM 876 CB PRO A 86 12.702 -15.014 -19.413 1.00 0.00 C ATOM 877 CG PRO A 86 12.278 -16.231 -20.166 1.00 0.00 C ATOM 878 CD PRO A 86 11.001 -15.852 -20.920 1.00 0.00 C ATOM 0 HA PRO A 86 11.006 -14.515 -18.079 1.00 0.00 H new ATOM 0 HB2 PRO A 86 13.359 -14.387 -20.016 1.00 0.00 H new ATOM 0 HB3 PRO A 86 13.254 -15.281 -18.512 1.00 0.00 H new ATOM 0 HG2 PRO A 86 13.057 -16.550 -20.858 1.00 0.00 H new ATOM 0 HG3 PRO A 86 12.095 -17.063 -19.487 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.214 -15.573 -21.952 1.00 0.00 H new ATOM 0 HD3 PRO A 86 10.295 -16.682 -20.953 1.00 0.00 H new ATOM 886 N ASP A 87 11.977 -12.185 -20.189 1.00 0.00 N ATOM 887 CA ASP A 87 12.264 -10.750 -20.276 1.00 0.00 C ATOM 888 C ASP A 87 11.113 -9.895 -19.750 1.00 0.00 C ATOM 889 O ASP A 87 11.313 -8.744 -19.373 1.00 0.00 O ATOM 890 CB ASP A 87 12.531 -10.382 -21.737 1.00 0.00 C ATOM 891 CG ASP A 87 13.750 -11.143 -22.243 1.00 0.00 C ATOM 892 OD1 ASP A 87 14.380 -11.815 -21.441 1.00 0.00 O ATOM 893 OD2 ASP A 87 14.028 -11.055 -23.427 1.00 0.00 O ATOM 0 H ASP A 87 12.068 -12.686 -21.073 1.00 0.00 H new ATOM 0 HA ASP A 87 13.137 -10.549 -19.655 1.00 0.00 H new ATOM 0 HB2 ASP A 87 11.661 -10.622 -22.348 1.00 0.00 H new ATOM 0 HB3 ASP A 87 12.697 -9.309 -21.827 1.00 0.00 H new ATOM 898 N ALA A 88 9.909 -10.446 -19.737 1.00 0.00 N ATOM 899 CA ALA A 88 8.747 -9.700 -19.266 1.00 0.00 C ATOM 900 C ALA A 88 8.937 -9.187 -17.840 1.00 0.00 C ATOM 901 O ALA A 88 8.484 -8.094 -17.501 1.00 0.00 O ATOM 902 CB ALA A 88 7.518 -10.596 -19.302 1.00 0.00 C ATOM 0 H ALA A 88 9.709 -11.398 -20.044 1.00 0.00 H new ATOM 0 HA ALA A 88 8.620 -8.841 -19.925 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.650 -10.038 -18.950 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.343 -10.932 -20.324 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.679 -11.461 -18.658 1.00 0.00 H new ATOM 908 N PHE A 89 9.611 -9.973 -17.012 1.00 0.00 N ATOM 909 CA PHE A 89 9.852 -9.579 -15.632 1.00 0.00 C ATOM 910 C PHE A 89 10.727 -8.337 -15.551 1.00 0.00 C ATOM 911 O PHE A 89 10.465 -7.426 -14.766 1.00 0.00 O ATOM 912 CB PHE A 89 10.544 -10.719 -14.894 1.00 0.00 C ATOM 913 CG PHE A 89 11.162 -10.181 -13.631 1.00 0.00 C ATOM 914 CD1 PHE A 89 10.351 -9.837 -12.548 1.00 0.00 C ATOM 915 CD2 PHE A 89 12.548 -10.019 -13.550 1.00 0.00 C ATOM 916 CE1 PHE A 89 10.924 -9.331 -11.377 1.00 0.00 C ATOM 917 CE2 PHE A 89 13.123 -9.514 -12.380 1.00 0.00 C ATOM 918 CZ PHE A 89 12.311 -9.168 -11.292 1.00 0.00 C ATOM 0 H PHE A 89 9.998 -10.881 -17.270 1.00 0.00 H new ATOM 0 HA PHE A 89 8.889 -9.353 -15.174 1.00 0.00 H new ATOM 0 HB2 PHE A 89 9.827 -11.505 -14.657 1.00 0.00 H new ATOM 0 HB3 PHE A 89 11.310 -11.167 -15.527 1.00 0.00 H new ATOM 0 HD1 PHE A 89 9.280 -9.962 -12.615 1.00 0.00 H new ATOM 0 HD2 PHE A 89 13.174 -10.283 -14.390 1.00 0.00 H new ATOM 0 HE1 PHE A 89 10.296 -9.066 -10.539 1.00 0.00 H new ATOM 0 HE2 PHE A 89 14.194 -9.391 -12.315 1.00 0.00 H new ATOM 0 HZ PHE A 89 12.755 -8.776 -10.389 1.00 0.00 H new ATOM 928 N LYS A 90 11.779 -8.321 -16.358 1.00 0.00 N ATOM 929 CA LYS A 90 12.704 -7.197 -16.356 1.00 0.00 C ATOM 930 C LYS A 90 12.005 -5.936 -16.839 1.00 0.00 C ATOM 931 O LYS A 90 12.239 -4.848 -16.314 1.00 0.00 O ATOM 932 CB LYS A 90 13.928 -7.509 -17.227 1.00 0.00 C ATOM 933 CG LYS A 90 13.725 -7.000 -18.661 1.00 0.00 C ATOM 934 CD LYS A 90 14.059 -5.508 -18.730 1.00 0.00 C ATOM 935 CE LYS A 90 15.356 -5.293 -19.525 1.00 0.00 C ATOM 936 NZ LYS A 90 15.042 -5.152 -20.978 1.00 0.00 N ATOM 0 H LYS A 90 12.011 -9.065 -17.016 1.00 0.00 H new ATOM 0 HA LYS A 90 13.046 -7.029 -15.335 1.00 0.00 H new ATOM 0 HB2 LYS A 90 14.815 -7.045 -16.795 1.00 0.00 H new ATOM 0 HB3 LYS A 90 14.105 -8.584 -17.240 1.00 0.00 H new ATOM 0 HG2 LYS A 90 14.361 -7.557 -19.349 1.00 0.00 H new ATOM 0 HG3 LYS A 90 12.694 -7.167 -18.974 1.00 0.00 H new ATOM 0 HD2 LYS A 90 13.240 -4.966 -19.202 1.00 0.00 H new ATOM 0 HD3 LYS A 90 14.170 -5.105 -17.723 1.00 0.00 H new ATOM 0 HE2 LYS A 90 15.869 -4.401 -19.166 1.00 0.00 H new ATOM 0 HE3 LYS A 90 16.032 -6.134 -19.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 15.923 -5.007 -21.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 14.571 -6.015 -21.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 14.413 -4.336 -21.120 1.00 0.00 H new ATOM 950 N ILE A 91 11.137 -6.087 -17.830 1.00 0.00 N ATOM 951 CA ILE A 91 10.402 -4.956 -18.358 1.00 0.00 C ATOM 952 C ILE A 91 9.530 -4.316 -17.278 1.00 0.00 C ATOM 953 O ILE A 91 9.535 -3.096 -17.106 1.00 0.00 O ATOM 954 CB ILE A 91 9.543 -5.413 -19.536 1.00 0.00 C ATOM 955 CG1 ILE A 91 10.450 -5.767 -20.721 1.00 0.00 C ATOM 956 CG2 ILE A 91 8.584 -4.296 -19.942 1.00 0.00 C ATOM 957 CD1 ILE A 91 9.593 -6.294 -21.870 1.00 0.00 C ATOM 0 H ILE A 91 10.928 -6.978 -18.280 1.00 0.00 H new ATOM 0 HA ILE A 91 11.113 -4.204 -18.699 1.00 0.00 H new ATOM 0 HB ILE A 91 8.966 -6.290 -19.243 1.00 0.00 H new ATOM 0 HG12 ILE A 91 11.009 -4.888 -21.042 1.00 0.00 H new ATOM 0 HG13 ILE A 91 11.181 -6.518 -20.423 1.00 0.00 H new ATOM 0 HG21 ILE A 91 7.974 -4.628 -20.782 1.00 0.00 H new ATOM 0 HG22 ILE A 91 7.938 -4.048 -19.100 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.155 -3.414 -20.234 1.00 0.00 H new ATOM 0 HD11 ILE A 91 10.233 -6.547 -22.715 1.00 0.00 H new ATOM 0 HD12 ILE A 91 9.054 -7.184 -21.544 1.00 0.00 H new ATOM 0 HD13 ILE A 91 8.879 -5.528 -22.172 1.00 0.00 H new ATOM 969 N MET A 92 8.784 -5.140 -16.547 1.00 0.00 N ATOM 970 CA MET A 92 7.917 -4.627 -15.494 1.00 0.00 C ATOM 971 C MET A 92 8.739 -4.053 -14.347 1.00 0.00 C ATOM 972 O MET A 92 8.355 -3.058 -13.733 1.00 0.00 O ATOM 973 CB MET A 92 7.023 -5.749 -14.984 1.00 0.00 C ATOM 974 CG MET A 92 6.043 -6.135 -16.086 1.00 0.00 C ATOM 975 SD MET A 92 5.003 -4.710 -16.516 1.00 0.00 S ATOM 976 CE MET A 92 4.179 -4.491 -14.915 1.00 0.00 C ATOM 0 H MET A 92 8.763 -6.153 -16.663 1.00 0.00 H new ATOM 0 HA MET A 92 7.302 -3.826 -15.905 1.00 0.00 H new ATOM 0 HB2 MET A 92 7.626 -6.610 -14.696 1.00 0.00 H new ATOM 0 HB3 MET A 92 6.483 -5.426 -14.094 1.00 0.00 H new ATOM 0 HG2 MET A 92 6.588 -6.477 -16.966 1.00 0.00 H new ATOM 0 HG3 MET A 92 5.419 -6.965 -15.755 1.00 0.00 H new ATOM 0 HE1 MET A 92 3.099 -4.530 -15.054 1.00 0.00 H new ATOM 0 HE2 MET A 92 4.486 -5.286 -14.236 1.00 0.00 H new ATOM 0 HE3 MET A 92 4.456 -3.525 -14.492 1.00 0.00 H new ATOM 986 N SER A 93 9.865 -4.692 -14.062 1.00 0.00 N ATOM 987 CA SER A 93 10.740 -4.247 -12.985 1.00 0.00 C ATOM 988 C SER A 93 11.225 -2.816 -13.216 1.00 0.00 C ATOM 989 O SER A 93 11.188 -1.990 -12.309 1.00 0.00 O ATOM 990 CB SER A 93 11.946 -5.180 -12.902 1.00 0.00 C ATOM 991 OG SER A 93 11.500 -6.529 -12.922 1.00 0.00 O ATOM 0 H SER A 93 10.194 -5.519 -14.560 1.00 0.00 H new ATOM 0 HA SER A 93 10.175 -4.269 -12.053 1.00 0.00 H new ATOM 0 HB2 SER A 93 12.621 -4.996 -13.738 1.00 0.00 H new ATOM 0 HB3 SER A 93 12.509 -4.985 -11.989 1.00 0.00 H new ATOM 0 HG SER A 93 11.446 -6.842 -13.849 1.00 0.00 H new ATOM 997 N GLN A 94 11.672 -2.526 -14.431 1.00 0.00 N ATOM 998 CA GLN A 94 12.152 -1.188 -14.758 1.00 0.00 C ATOM 999 C GLN A 94 11.014 -0.167 -14.712 1.00 0.00 C ATOM 1000 O GLN A 94 11.217 0.992 -14.352 1.00 0.00 O ATOM 1001 CB GLN A 94 12.786 -1.185 -16.155 1.00 0.00 C ATOM 1002 CG GLN A 94 14.122 -1.934 -16.135 1.00 0.00 C ATOM 1003 CD GLN A 94 14.691 -2.006 -17.549 1.00 0.00 C ATOM 1004 OE1 GLN A 94 13.889 -1.850 -18.567 1.00 0.00 O flip ATOM 1005 NE2 GLN A 94 15.888 -2.223 -17.732 1.00 0.00 N flip ATOM 0 H GLN A 94 11.713 -3.193 -15.202 1.00 0.00 H new ATOM 0 HA GLN A 94 12.899 -0.908 -14.015 1.00 0.00 H new ATOM 0 HB2 GLN A 94 12.109 -1.654 -16.870 1.00 0.00 H new ATOM 0 HB3 GLN A 94 12.942 -0.159 -16.489 1.00 0.00 H new ATOM 0 HG2 GLN A 94 14.825 -1.426 -15.475 1.00 0.00 H new ATOM 0 HG3 GLN A 94 13.981 -2.939 -15.738 1.00 0.00 H new ATOM 0 HE21 GLN A 94 16.512 -2.344 -16.934 1.00 0.00 H new ATOM 0 HE22 GLN A 94 16.256 -2.281 -18.681 1.00 0.00 H new ATOM 1014 N ARG A 95 9.830 -0.597 -15.129 1.00 0.00 N ATOM 1015 CA ARG A 95 8.668 0.289 -15.191 1.00 0.00 C ATOM 1016 C ARG A 95 8.032 0.608 -13.832 1.00 0.00 C ATOM 1017 O ARG A 95 7.507 1.706 -13.654 1.00 0.00 O ATOM 1018 CB ARG A 95 7.618 -0.336 -16.108 1.00 0.00 C ATOM 1019 CG ARG A 95 8.155 -0.355 -17.537 1.00 0.00 C ATOM 1020 CD ARG A 95 7.106 -0.947 -18.474 1.00 0.00 C ATOM 1021 NE ARG A 95 6.125 0.063 -18.843 1.00 0.00 N ATOM 1022 CZ ARG A 95 6.162 0.653 -20.034 1.00 0.00 C ATOM 1023 NH1 ARG A 95 7.173 0.452 -20.836 1.00 0.00 N ATOM 1024 NH2 ARG A 95 5.198 1.452 -20.392 1.00 0.00 N ATOM 0 H ARG A 95 9.646 -1.554 -15.430 1.00 0.00 H new ATOM 0 HA ARG A 95 9.031 1.241 -15.578 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.386 -1.349 -15.779 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.690 0.234 -16.062 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.409 0.657 -17.853 1.00 0.00 H new ATOM 0 HG3 ARG A 95 9.071 -0.943 -17.583 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.589 -1.338 -19.370 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.608 -1.786 -17.988 1.00 0.00 H new ATOM 0 HE ARG A 95 5.397 0.322 -18.177 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.938 -0.159 -20.549 1.00 0.00 H new ATOM 0 HH12 ARG A 95 7.198 0.906 -21.749 1.00 0.00 H new ATOM 0 HH21 ARG A 95 4.417 1.624 -19.759 1.00 0.00 H new ATOM 0 HH22 ARG A 95 5.224 1.906 -21.305 1.00 0.00 H new ATOM 1038 N CYS A 96 8.013 -0.338 -12.892 1.00 0.00 N ATOM 1039 CA CYS A 96 7.355 -0.065 -11.611 1.00 0.00 C ATOM 1040 C CYS A 96 8.313 0.001 -10.413 1.00 0.00 C ATOM 1041 O CYS A 96 7.940 0.510 -9.356 1.00 0.00 O ATOM 1042 CB CYS A 96 6.293 -1.132 -11.342 1.00 0.00 C ATOM 1043 SG CYS A 96 5.248 -1.330 -12.806 1.00 0.00 S ATOM 0 H CYS A 96 8.428 -1.265 -12.984 1.00 0.00 H new ATOM 0 HA CYS A 96 6.909 0.925 -11.708 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.770 -2.080 -11.092 1.00 0.00 H new ATOM 0 HB3 CYS A 96 5.684 -0.846 -10.484 1.00 0.00 H new ATOM 1048 N ASN A 97 9.517 -0.533 -10.545 1.00 0.00 N ATOM 1049 CA ASN A 97 10.450 -0.535 -9.423 1.00 0.00 C ATOM 1050 C ASN A 97 10.653 0.853 -8.821 1.00 0.00 C ATOM 1051 O ASN A 97 10.825 1.842 -9.537 1.00 0.00 O ATOM 1052 CB ASN A 97 11.801 -1.082 -9.869 1.00 0.00 C ATOM 1053 CG ASN A 97 11.736 -2.600 -9.956 1.00 0.00 C ATOM 1054 OD1 ASN A 97 10.674 -3.188 -9.756 1.00 0.00 O ATOM 1055 ND2 ASN A 97 12.816 -3.275 -10.225 1.00 0.00 N ATOM 0 H ASN A 97 9.869 -0.964 -11.400 1.00 0.00 H new ATOM 0 HA ASN A 97 10.012 -1.171 -8.654 1.00 0.00 H new ATOM 0 HB2 ASN A 97 12.071 -0.664 -10.839 1.00 0.00 H new ATOM 0 HB3 ASN A 97 12.577 -0.781 -9.165 1.00 0.00 H new ATOM 0 HD21 ASN A 97 12.783 -4.293 -10.270 1.00 0.00 H new ATOM 0 HD22 ASN A 97 13.695 -2.785 -10.391 1.00 0.00 H new ATOM 1062 N ASN A 98 10.654 0.899 -7.484 1.00 0.00 N ATOM 1063 CA ASN A 98 10.859 2.141 -6.745 1.00 0.00 C ATOM 1064 C ASN A 98 9.716 3.127 -6.948 1.00 0.00 C ATOM 1065 O ASN A 98 9.828 4.295 -6.576 1.00 0.00 O ATOM 1066 CB ASN A 98 12.192 2.780 -7.139 1.00 0.00 C ATOM 1067 CG ASN A 98 13.346 1.895 -6.668 1.00 0.00 C ATOM 1068 OD1 ASN A 98 13.128 0.812 -6.119 1.00 0.00 O ATOM 1069 ND2 ASN A 98 14.572 2.362 -6.874 1.00 0.00 N ATOM 0 H ASN A 98 10.514 0.081 -6.891 1.00 0.00 H new ATOM 0 HA ASN A 98 10.882 1.888 -5.685 1.00 0.00 H new ATOM 0 HB2 ASN A 98 12.239 2.910 -8.220 1.00 0.00 H new ATOM 0 HB3 ASN A 98 12.277 3.772 -6.695 1.00 0.00 H new ATOM 0 HD21 ASN A 98 15.382 1.819 -6.574 1.00 0.00 H new ATOM 0 HD22 ASN A 98 14.704 3.264 -7.332 1.00 0.00 H new ATOM 1075 N ARG A 99 8.608 2.654 -7.509 1.00 0.00 N ATOM 1076 CA ARG A 99 7.451 3.510 -7.720 1.00 0.00 C ATOM 1077 C ARG A 99 6.309 3.052 -6.830 1.00 0.00 C ATOM 1078 O ARG A 99 6.138 1.859 -6.581 1.00 0.00 O ATOM 1079 CB ARG A 99 6.987 3.450 -9.178 1.00 0.00 C ATOM 1080 CG ARG A 99 8.050 4.059 -10.090 1.00 0.00 C ATOM 1081 CD ARG A 99 7.524 4.123 -11.526 1.00 0.00 C ATOM 1082 NE ARG A 99 8.607 4.449 -12.448 1.00 0.00 N ATOM 1083 CZ ARG A 99 8.351 4.786 -13.709 1.00 0.00 C ATOM 1084 NH1 ARG A 99 7.120 4.775 -14.141 1.00 0.00 N ATOM 1085 NH2 ARG A 99 9.327 5.115 -14.517 1.00 0.00 N ATOM 0 H ARG A 99 8.489 1.691 -7.823 1.00 0.00 H new ATOM 0 HA ARG A 99 7.737 4.533 -7.477 1.00 0.00 H new ATOM 0 HB2 ARG A 99 6.798 2.416 -9.466 1.00 0.00 H new ATOM 0 HB3 ARG A 99 6.047 3.989 -9.291 1.00 0.00 H new ATOM 0 HG2 ARG A 99 8.311 5.059 -9.743 1.00 0.00 H new ATOM 0 HG3 ARG A 99 8.961 3.461 -10.053 1.00 0.00 H new ATOM 0 HD2 ARG A 99 7.079 3.167 -11.801 1.00 0.00 H new ATOM 0 HD3 ARG A 99 6.737 4.873 -11.599 1.00 0.00 H new ATOM 0 HE ARG A 99 9.573 4.418 -12.121 1.00 0.00 H new ATOM 0 HH11 ARG A 99 6.361 4.509 -13.513 1.00 0.00 H new ATOM 0 HH12 ARG A 99 6.916 5.032 -15.107 1.00 0.00 H new ATOM 0 HH21 ARG A 99 10.290 5.114 -14.181 1.00 0.00 H new ATOM 0 HH22 ARG A 99 9.125 5.372 -15.483 1.00 0.00 H new ATOM 1099 N THR A 100 5.528 4.005 -6.358 1.00 0.00 N ATOM 1100 CA THR A 100 4.396 3.699 -5.505 1.00 0.00 C ATOM 1101 C THR A 100 3.258 3.105 -6.338 1.00 0.00 C ATOM 1102 O THR A 100 2.502 2.255 -5.866 1.00 0.00 O ATOM 1103 CB THR A 100 3.955 4.981 -4.809 1.00 0.00 C ATOM 1104 OG1 THR A 100 4.972 5.384 -3.901 1.00 0.00 O ATOM 1105 CG2 THR A 100 2.649 4.752 -4.053 1.00 0.00 C ATOM 0 H THR A 100 5.657 4.998 -6.551 1.00 0.00 H new ATOM 0 HA THR A 100 4.677 2.961 -4.754 1.00 0.00 H new ATOM 0 HB THR A 100 3.791 5.760 -5.554 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.125 4.672 -3.245 1.00 0.00 H new ATOM 0 HG21 THR A 100 2.347 5.676 -3.561 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.873 4.443 -4.753 1.00 0.00 H new ATOM 0 HG23 THR A 100 2.794 3.973 -3.304 1.00 0.00 H new ATOM 1113 N GLN A 101 3.159 3.552 -7.589 1.00 0.00 N ATOM 1114 CA GLN A 101 2.129 3.052 -8.494 1.00 0.00 C ATOM 1115 C GLN A 101 2.638 3.083 -9.939 1.00 0.00 C ATOM 1116 O GLN A 101 3.463 3.925 -10.293 1.00 0.00 O ATOM 1117 CB GLN A 101 0.852 3.889 -8.368 1.00 0.00 C ATOM 1118 CG GLN A 101 1.071 5.288 -8.948 1.00 0.00 C ATOM 1119 CD GLN A 101 0.439 5.394 -10.333 1.00 0.00 C ATOM 1120 OE1 GLN A 101 -0.609 4.669 -10.626 1.00 0.00 O flip ATOM 1121 NE2 GLN A 101 0.910 6.162 -11.169 1.00 0.00 N flip ATOM 0 H GLN A 101 3.776 4.255 -7.996 1.00 0.00 H new ATOM 0 HA GLN A 101 1.898 2.022 -8.221 1.00 0.00 H new ATOM 0 HB2 GLN A 101 0.033 3.396 -8.892 1.00 0.00 H new ATOM 0 HB3 GLN A 101 0.561 3.964 -7.320 1.00 0.00 H new ATOM 0 HG2 GLN A 101 0.636 6.036 -8.285 1.00 0.00 H new ATOM 0 HG3 GLN A 101 2.138 5.500 -9.011 1.00 0.00 H new ATOM 0 HE21 GLN A 101 1.728 6.727 -10.939 1.00 0.00 H new ATOM 0 HE22 GLN A 101 0.483 6.234 -12.093 1.00 0.00 H new ATOM 1130 N CYS A 102 2.147 2.163 -10.768 1.00 0.00 N ATOM 1131 CA CYS A 102 2.572 2.110 -12.169 1.00 0.00 C ATOM 1132 C CYS A 102 1.498 1.489 -13.054 1.00 0.00 C ATOM 1133 O CYS A 102 0.802 0.554 -12.655 1.00 0.00 O ATOM 1134 CB CYS A 102 3.867 1.306 -12.316 1.00 0.00 C ATOM 1135 SG CYS A 102 3.499 -0.462 -12.283 1.00 0.00 S ATOM 0 H CYS A 102 1.465 1.453 -10.501 1.00 0.00 H new ATOM 0 HA CYS A 102 2.743 3.138 -12.490 1.00 0.00 H new ATOM 0 HB2 CYS A 102 4.363 1.566 -13.251 1.00 0.00 H new ATOM 0 HB3 CYS A 102 4.556 1.558 -11.510 1.00 0.00 H new ATOM 1140 N VAL A 103 1.383 2.017 -14.266 1.00 0.00 N ATOM 1141 CA VAL A 103 0.410 1.518 -15.229 1.00 0.00 C ATOM 1142 C VAL A 103 1.135 1.049 -16.487 1.00 0.00 C ATOM 1143 O VAL A 103 1.880 1.810 -17.101 1.00 0.00 O ATOM 1144 CB VAL A 103 -0.571 2.641 -15.567 1.00 0.00 C ATOM 1145 CG1 VAL A 103 -1.715 2.105 -16.433 1.00 0.00 C ATOM 1146 CG2 VAL A 103 -1.139 3.205 -14.266 1.00 0.00 C ATOM 0 H VAL A 103 1.953 2.792 -14.606 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.139 0.676 -14.808 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.050 3.422 -16.121 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -2.406 2.916 -16.666 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -1.310 1.696 -17.359 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -2.245 1.321 -15.892 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -1.841 4.008 -14.493 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.656 2.414 -13.722 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.326 3.596 -13.654 1.00 0.00 H new ATOM 1156 N VAL A 104 0.927 -0.208 -16.863 1.00 0.00 N ATOM 1157 CA VAL A 104 1.592 -0.751 -18.046 1.00 0.00 C ATOM 1158 C VAL A 104 0.622 -1.557 -18.912 1.00 0.00 C ATOM 1159 O VAL A 104 -0.253 -2.252 -18.397 1.00 0.00 O ATOM 1160 CB VAL A 104 2.757 -1.653 -17.628 1.00 0.00 C ATOM 1161 CG1 VAL A 104 3.510 -2.124 -18.873 1.00 0.00 C ATOM 1162 CG2 VAL A 104 3.726 -0.880 -16.724 1.00 0.00 C ATOM 0 H VAL A 104 0.314 -0.862 -16.377 1.00 0.00 H new ATOM 0 HA VAL A 104 1.963 0.091 -18.630 1.00 0.00 H new ATOM 0 HB VAL A 104 2.360 -2.510 -17.084 1.00 0.00 H new ATOM 0 HG11 VAL A 104 4.339 -2.766 -18.576 1.00 0.00 H new ATOM 0 HG12 VAL A 104 2.832 -2.682 -19.519 1.00 0.00 H new ATOM 0 HG13 VAL A 104 3.896 -1.260 -19.413 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.550 -1.531 -16.433 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.118 -0.018 -17.264 1.00 0.00 H new ATOM 0 HG23 VAL A 104 3.199 -0.541 -15.832 1.00 0.00 H new ATOM 1172 N VAL A 105 0.793 -1.473 -20.234 1.00 0.00 N ATOM 1173 CA VAL A 105 -0.070 -2.220 -21.143 1.00 0.00 C ATOM 1174 C VAL A 105 0.429 -3.657 -21.288 1.00 0.00 C ATOM 1175 O VAL A 105 1.558 -3.886 -21.724 1.00 0.00 O ATOM 1176 CB VAL A 105 -0.122 -1.560 -22.525 1.00 0.00 C ATOM 1177 CG1 VAL A 105 -1.067 -2.369 -23.413 1.00 0.00 C ATOM 1178 CG2 VAL A 105 -0.645 -0.124 -22.395 1.00 0.00 C ATOM 0 H VAL A 105 1.508 -0.906 -20.689 1.00 0.00 H new ATOM 0 HA VAL A 105 -1.074 -2.223 -20.719 1.00 0.00 H new ATOM 0 HB VAL A 105 0.876 -1.534 -22.962 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -1.116 -1.913 -24.402 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -0.697 -3.390 -23.502 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.062 -2.381 -22.969 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.680 0.341 -23.380 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.646 -0.139 -21.965 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.019 0.448 -21.747 1.00 0.00 H new ATOM 1188 N ALA A 106 -0.414 -4.623 -20.912 1.00 0.00 N ATOM 1189 CA ALA A 106 -0.039 -6.037 -20.998 1.00 0.00 C ATOM 1190 C ALA A 106 -0.093 -6.562 -22.426 1.00 0.00 C ATOM 1191 O ALA A 106 -0.590 -7.664 -22.661 1.00 0.00 O ATOM 1192 CB ALA A 106 -0.959 -6.896 -20.130 1.00 0.00 C ATOM 0 H ALA A 106 -1.352 -4.454 -20.548 1.00 0.00 H new ATOM 0 HA ALA A 106 0.988 -6.104 -20.640 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -0.662 -7.942 -20.209 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -0.883 -6.575 -19.091 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -1.989 -6.784 -20.470 1.00 0.00 H new ATOM 1198 N GLY A 107 0.390 -5.787 -23.384 1.00 0.00 N ATOM 1199 CA GLY A 107 0.362 -6.225 -24.770 1.00 0.00 C ATOM 1200 C GLY A 107 0.965 -5.161 -25.667 1.00 0.00 C ATOM 1201 O GLY A 107 2.089 -4.721 -25.443 1.00 0.00 O ATOM 0 H GLY A 107 0.800 -4.866 -23.232 1.00 0.00 H new ATOM 0 HA2 GLY A 107 0.917 -7.157 -24.876 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -0.665 -6.429 -25.074 1.00 0.00 H new ATOM 1205 N SER A 108 0.210 -4.741 -26.673 1.00 0.00 N ATOM 1206 CA SER A 108 0.687 -3.718 -27.591 1.00 0.00 C ATOM 1207 C SER A 108 2.203 -3.769 -27.719 1.00 0.00 C ATOM 1208 O SER A 108 2.829 -4.801 -27.477 1.00 0.00 O ATOM 1209 CB SER A 108 0.268 -2.337 -27.089 1.00 0.00 C ATOM 1210 OG SER A 108 0.419 -1.384 -28.135 1.00 0.00 O ATOM 0 H SER A 108 -0.727 -5.090 -26.873 1.00 0.00 H new ATOM 0 HA SER A 108 0.246 -3.905 -28.570 1.00 0.00 H new ATOM 0 HB2 SER A 108 -0.768 -2.360 -26.751 1.00 0.00 H new ATOM 0 HB3 SER A 108 0.877 -2.050 -26.231 1.00 0.00 H new ATOM 0 HG SER A 108 0.148 -0.499 -27.813 1.00 0.00 H new ATOM 1216 N ASP A 109 2.783 -2.653 -28.134 1.00 0.00 N ATOM 1217 CA ASP A 109 4.222 -2.570 -28.330 1.00 0.00 C ATOM 1218 C ASP A 109 4.983 -2.592 -27.002 1.00 0.00 C ATOM 1219 O ASP A 109 6.208 -2.471 -26.988 1.00 0.00 O ATOM 1220 CB ASP A 109 4.563 -1.288 -29.090 1.00 0.00 C ATOM 1221 CG ASP A 109 3.982 -1.342 -30.499 1.00 0.00 C ATOM 1222 OD1 ASP A 109 3.693 -2.434 -30.960 1.00 0.00 O ATOM 1223 OD2 ASP A 109 3.838 -0.290 -31.097 1.00 0.00 O ATOM 0 H ASP A 109 2.278 -1.791 -28.342 1.00 0.00 H new ATOM 0 HA ASP A 109 4.528 -3.444 -28.905 1.00 0.00 H new ATOM 0 HB2 ASP A 109 4.165 -0.424 -28.558 1.00 0.00 H new ATOM 0 HB3 ASP A 109 5.645 -1.162 -29.139 1.00 0.00 H new ATOM 1228 N ALA A 110 4.268 -2.737 -25.887 1.00 0.00 N ATOM 1229 CA ALA A 110 4.930 -2.762 -24.587 1.00 0.00 C ATOM 1230 C ALA A 110 5.377 -4.180 -24.235 1.00 0.00 C ATOM 1231 O ALA A 110 6.159 -4.378 -23.306 1.00 0.00 O ATOM 1232 CB ALA A 110 3.990 -2.237 -23.501 1.00 0.00 C ATOM 0 H ALA A 110 3.253 -2.837 -25.857 1.00 0.00 H new ATOM 0 HA ALA A 110 5.809 -2.119 -24.643 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.498 -2.262 -22.537 1.00 0.00 H new ATOM 0 HB2 ALA A 110 3.702 -1.212 -23.733 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.099 -2.863 -23.458 1.00 0.00 H new ATOM 1238 N PHE A 111 4.883 -5.162 -24.990 1.00 0.00 N ATOM 1239 CA PHE A 111 5.245 -6.560 -24.753 1.00 0.00 C ATOM 1240 C PHE A 111 5.365 -7.324 -26.070 1.00 0.00 C ATOM 1241 O PHE A 111 4.420 -7.349 -26.859 1.00 0.00 O ATOM 1242 CB PHE A 111 4.170 -7.253 -23.915 1.00 0.00 C ATOM 1243 CG PHE A 111 4.313 -6.869 -22.467 1.00 0.00 C ATOM 1244 CD1 PHE A 111 3.780 -5.661 -22.020 1.00 0.00 C ATOM 1245 CD2 PHE A 111 4.966 -7.726 -21.571 1.00 0.00 C ATOM 1246 CE1 PHE A 111 3.902 -5.298 -20.674 1.00 0.00 C ATOM 1247 CE2 PHE A 111 5.090 -7.364 -20.222 1.00 0.00 C ATOM 1248 CZ PHE A 111 4.556 -6.151 -19.775 1.00 0.00 C ATOM 0 H PHE A 111 4.236 -5.017 -25.765 1.00 0.00 H new ATOM 0 HA PHE A 111 6.202 -6.562 -24.230 1.00 0.00 H new ATOM 0 HB2 PHE A 111 3.180 -6.974 -24.277 1.00 0.00 H new ATOM 0 HB3 PHE A 111 4.256 -8.334 -24.022 1.00 0.00 H new ATOM 0 HD1 PHE A 111 3.273 -5.005 -22.712 1.00 0.00 H new ATOM 0 HD2 PHE A 111 5.373 -8.664 -21.919 1.00 0.00 H new ATOM 0 HE1 PHE A 111 3.492 -4.361 -20.328 1.00 0.00 H new ATOM 0 HE2 PHE A 111 5.597 -8.020 -19.530 1.00 0.00 H new ATOM 0 HZ PHE A 111 4.648 -5.872 -18.736 1.00 0.00 H new ATOM 1258 N PRO A 112 6.477 -7.973 -26.308 1.00 0.00 N ATOM 1259 CA PRO A 112 6.673 -8.781 -27.541 1.00 0.00 C ATOM 1260 C PRO A 112 5.528 -9.762 -27.743 1.00 0.00 C ATOM 1261 O PRO A 112 4.378 -9.476 -27.413 1.00 0.00 O ATOM 1262 CB PRO A 112 7.968 -9.557 -27.295 1.00 0.00 C ATOM 1263 CG PRO A 112 8.662 -8.891 -26.153 1.00 0.00 C ATOM 1264 CD PRO A 112 7.655 -7.995 -25.436 1.00 0.00 C ATOM 0 HA PRO A 112 6.712 -8.150 -28.429 1.00 0.00 H new ATOM 0 HB2 PRO A 112 7.755 -10.600 -27.062 1.00 0.00 H new ATOM 0 HB3 PRO A 112 8.597 -9.551 -28.185 1.00 0.00 H new ATOM 0 HG2 PRO A 112 9.064 -9.636 -25.466 1.00 0.00 H new ATOM 0 HG3 PRO A 112 9.506 -8.302 -26.513 1.00 0.00 H new ATOM 0 HD2 PRO A 112 7.409 -8.389 -24.450 1.00 0.00 H new ATOM 0 HD3 PRO A 112 8.055 -6.992 -25.288 1.00 0.00 H new ATOM 1272 N ASP A 113 5.862 -10.924 -28.273 1.00 0.00 N ATOM 1273 CA ASP A 113 4.872 -11.962 -28.506 1.00 0.00 C ATOM 1274 C ASP A 113 5.515 -13.331 -28.296 1.00 0.00 C ATOM 1275 O ASP A 113 6.169 -13.860 -29.193 1.00 0.00 O ATOM 1276 CB ASP A 113 4.321 -11.845 -29.929 1.00 0.00 C ATOM 1277 CG ASP A 113 2.971 -12.546 -30.037 1.00 0.00 C ATOM 1278 OD1 ASP A 113 2.871 -13.673 -29.585 1.00 0.00 O ATOM 1279 OD2 ASP A 113 2.054 -11.944 -30.571 1.00 0.00 O ATOM 0 H ASP A 113 6.811 -11.174 -28.551 1.00 0.00 H new ATOM 0 HA ASP A 113 4.047 -11.844 -27.804 1.00 0.00 H new ATOM 0 HB2 ASP A 113 4.215 -10.794 -30.199 1.00 0.00 H new ATOM 0 HB3 ASP A 113 5.024 -12.286 -30.635 1.00 0.00 H new ATOM 1284 N PRO A 114 5.360 -13.895 -27.124 1.00 0.00 N ATOM 1285 CA PRO A 114 5.950 -15.217 -26.775 1.00 0.00 C ATOM 1286 C PRO A 114 5.075 -16.388 -27.212 1.00 0.00 C ATOM 1287 O PRO A 114 5.494 -17.544 -27.134 1.00 0.00 O ATOM 1288 CB PRO A 114 6.030 -15.158 -25.253 1.00 0.00 C ATOM 1289 CG PRO A 114 4.862 -14.320 -24.844 1.00 0.00 C ATOM 1290 CD PRO A 114 4.603 -13.335 -25.990 1.00 0.00 C ATOM 0 HA PRO A 114 6.906 -15.383 -27.272 1.00 0.00 H new ATOM 0 HB2 PRO A 114 5.975 -16.154 -24.815 1.00 0.00 H new ATOM 0 HB3 PRO A 114 6.970 -14.716 -24.923 1.00 0.00 H new ATOM 0 HG2 PRO A 114 3.985 -14.941 -24.662 1.00 0.00 H new ATOM 0 HG3 PRO A 114 5.074 -13.788 -23.917 1.00 0.00 H new ATOM 0 HD2 PRO A 114 3.540 -13.260 -26.219 1.00 0.00 H new ATOM 0 HD3 PRO A 114 4.946 -12.332 -25.738 1.00 0.00 H new ATOM 1298 N CYS A 115 3.859 -16.091 -27.660 1.00 0.00 N ATOM 1299 CA CYS A 115 2.948 -17.149 -28.088 1.00 0.00 C ATOM 1300 C CYS A 115 1.818 -16.597 -28.956 1.00 0.00 C ATOM 1301 O CYS A 115 0.637 -16.671 -28.596 1.00 0.00 O ATOM 1302 CB CYS A 115 2.352 -17.848 -26.863 1.00 0.00 C ATOM 1303 SG CYS A 115 1.935 -16.619 -25.601 1.00 0.00 S ATOM 0 H CYS A 115 3.486 -15.145 -27.736 1.00 0.00 H new ATOM 0 HA CYS A 115 3.520 -17.862 -28.683 1.00 0.00 H new ATOM 0 HB2 CYS A 115 1.461 -18.406 -27.149 1.00 0.00 H new ATOM 0 HB3 CYS A 115 3.064 -18.569 -26.461 1.00 0.00 H new ATOM 1308 N PRO A 116 2.152 -16.076 -30.105 1.00 0.00 N ATOM 1309 CA PRO A 116 1.139 -15.538 -31.047 1.00 0.00 C ATOM 1310 C PRO A 116 0.066 -16.581 -31.352 1.00 0.00 C ATOM 1311 O PRO A 116 0.353 -17.778 -31.427 1.00 0.00 O ATOM 1312 CB PRO A 116 1.929 -15.194 -32.314 1.00 0.00 C ATOM 1313 CG PRO A 116 3.373 -15.155 -31.918 1.00 0.00 C ATOM 1314 CD PRO A 116 3.523 -15.946 -30.617 1.00 0.00 C ATOM 0 HA PRO A 116 0.618 -14.674 -30.635 1.00 0.00 H new ATOM 0 HB2 PRO A 116 1.760 -15.940 -33.091 1.00 0.00 H new ATOM 0 HB3 PRO A 116 1.612 -14.233 -32.720 1.00 0.00 H new ATOM 0 HG2 PRO A 116 3.996 -15.587 -32.701 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.703 -14.126 -31.779 1.00 0.00 H new ATOM 0 HD2 PRO A 116 3.974 -16.922 -30.796 1.00 0.00 H new ATOM 0 HD3 PRO A 116 4.164 -15.424 -29.907 1.00 0.00 H new ATOM 1322 N GLY A 117 -1.166 -16.127 -31.537 1.00 0.00 N ATOM 1323 CA GLY A 117 -2.264 -17.033 -31.844 1.00 0.00 C ATOM 1324 C GLY A 117 -2.999 -17.483 -30.584 1.00 0.00 C ATOM 1325 O GLY A 117 -4.080 -18.065 -30.671 1.00 0.00 O ATOM 0 H GLY A 117 -1.429 -15.143 -31.480 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -2.965 -16.539 -32.517 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -1.878 -17.906 -32.371 1.00 0.00 H new ATOM 1329 N THR A 118 -2.424 -17.208 -29.416 1.00 0.00 N ATOM 1330 CA THR A 118 -3.058 -17.593 -28.159 1.00 0.00 C ATOM 1331 C THR A 118 -3.378 -16.350 -27.330 1.00 0.00 C ATOM 1332 O THR A 118 -2.670 -15.345 -27.420 1.00 0.00 O ATOM 1333 CB THR A 118 -2.124 -18.515 -27.370 1.00 0.00 C ATOM 1334 OG1 THR A 118 -1.759 -19.621 -28.185 1.00 0.00 O ATOM 1335 CG2 THR A 118 -2.835 -19.018 -26.113 1.00 0.00 C ATOM 0 H THR A 118 -1.531 -16.726 -29.314 1.00 0.00 H new ATOM 0 HA THR A 118 -3.986 -18.121 -28.377 1.00 0.00 H new ATOM 0 HB THR A 118 -1.230 -17.963 -27.079 1.00 0.00 H new ATOM 0 HG1 THR A 118 -1.160 -20.213 -27.684 1.00 0.00 H new ATOM 0 HG21 THR A 118 -2.167 -19.674 -25.555 1.00 0.00 H new ATOM 0 HG22 THR A 118 -3.115 -18.169 -25.489 1.00 0.00 H new ATOM 0 HG23 THR A 118 -3.731 -19.570 -26.398 1.00 0.00 H new ATOM 1343 N TYR A 119 -4.431 -16.414 -26.511 1.00 0.00 N ATOM 1344 CA TYR A 119 -4.787 -15.267 -25.675 1.00 0.00 C ATOM 1345 C TYR A 119 -3.900 -15.264 -24.436 1.00 0.00 C ATOM 1346 O TYR A 119 -3.903 -16.215 -23.661 1.00 0.00 O ATOM 1347 CB TYR A 119 -6.253 -15.326 -25.255 1.00 0.00 C ATOM 1348 CG TYR A 119 -6.631 -13.987 -24.669 1.00 0.00 C ATOM 1349 CD1 TYR A 119 -6.965 -12.930 -25.520 1.00 0.00 C ATOM 1350 CD2 TYR A 119 -6.628 -13.796 -23.282 1.00 0.00 C ATOM 1351 CE1 TYR A 119 -7.297 -11.680 -24.987 1.00 0.00 C ATOM 1352 CE2 TYR A 119 -6.966 -12.543 -22.748 1.00 0.00 C ATOM 1353 CZ TYR A 119 -7.297 -11.485 -23.606 1.00 0.00 C ATOM 1354 OH TYR A 119 -7.616 -10.246 -23.091 1.00 0.00 O ATOM 0 H TYR A 119 -5.038 -17.227 -26.410 1.00 0.00 H new ATOM 0 HA TYR A 119 -4.636 -14.354 -26.250 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -6.885 -15.558 -26.112 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -6.407 -16.118 -24.523 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -6.967 -13.078 -26.590 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -6.366 -14.612 -22.624 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -7.554 -10.864 -25.646 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -6.971 -12.394 -21.678 1.00 0.00 H new ATOM 0 HH TYR A 119 -6.929 -9.597 -23.351 1.00 0.00 H new ATOM 1364 N LYS A 120 -3.086 -14.232 -24.303 1.00 0.00 N ATOM 1365 CA LYS A 120 -2.121 -14.164 -23.211 1.00 0.00 C ATOM 1366 C LYS A 120 -2.617 -13.422 -21.961 1.00 0.00 C ATOM 1367 O LYS A 120 -3.803 -13.142 -21.784 1.00 0.00 O ATOM 1368 CB LYS A 120 -0.860 -13.478 -23.744 1.00 0.00 C ATOM 1369 CG LYS A 120 -0.478 -14.136 -25.068 1.00 0.00 C ATOM 1370 CD LYS A 120 0.710 -13.407 -25.700 1.00 0.00 C ATOM 1371 CE LYS A 120 0.872 -13.877 -27.149 1.00 0.00 C ATOM 1372 NZ LYS A 120 0.773 -12.706 -28.070 1.00 0.00 N ATOM 0 H LYS A 120 -3.071 -13.430 -24.933 1.00 0.00 H new ATOM 0 HA LYS A 120 -1.935 -15.187 -22.884 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -1.040 -12.413 -23.888 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -0.045 -13.570 -23.026 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -0.224 -15.183 -24.902 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -1.329 -14.118 -25.749 1.00 0.00 H new ATOM 0 HD2 LYS A 120 0.549 -12.329 -25.670 1.00 0.00 H new ATOM 0 HD3 LYS A 120 1.620 -13.610 -25.135 1.00 0.00 H new ATOM 0 HE2 LYS A 120 1.835 -14.372 -27.276 1.00 0.00 H new ATOM 0 HE3 LYS A 120 0.103 -14.610 -27.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 0.747 -13.040 -29.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -0.096 -12.173 -27.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 1.599 -12.088 -27.936 1.00 0.00 H new ATOM 1386 N TYR A 121 -1.629 -13.058 -21.154 1.00 0.00 N ATOM 1387 CA TYR A 121 -1.844 -12.271 -19.941 1.00 0.00 C ATOM 1388 C TYR A 121 -0.529 -11.863 -19.307 1.00 0.00 C ATOM 1389 O TYR A 121 0.547 -12.293 -19.727 1.00 0.00 O ATOM 1390 CB TYR A 121 -2.743 -12.974 -18.906 1.00 0.00 C ATOM 1391 CG TYR A 121 -2.153 -14.279 -18.400 1.00 0.00 C ATOM 1392 CD1 TYR A 121 -1.011 -14.287 -17.588 1.00 0.00 C ATOM 1393 CD2 TYR A 121 -2.790 -15.487 -18.714 1.00 0.00 C ATOM 1394 CE1 TYR A 121 -0.503 -15.503 -17.103 1.00 0.00 C ATOM 1395 CE2 TYR A 121 -2.289 -16.697 -18.225 1.00 0.00 C ATOM 1396 CZ TYR A 121 -1.145 -16.708 -17.421 1.00 0.00 C ATOM 1397 OH TYR A 121 -0.654 -17.905 -16.938 1.00 0.00 O ATOM 0 H TYR A 121 -0.652 -13.300 -21.320 1.00 0.00 H new ATOM 0 HA TYR A 121 -2.376 -11.376 -20.262 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -2.909 -12.305 -18.062 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -3.718 -13.171 -19.353 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -0.522 -13.358 -17.335 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -3.672 -15.483 -19.337 1.00 0.00 H new ATOM 0 HE1 TYR A 121 0.383 -15.510 -16.485 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -2.786 -17.624 -18.468 1.00 0.00 H new ATOM 0 HH TYR A 121 -1.395 -18.533 -16.806 1.00 0.00 H new ATOM 1407 N LEU A 122 -0.633 -11.046 -18.272 1.00 0.00 N ATOM 1408 CA LEU A 122 0.535 -10.587 -17.547 1.00 0.00 C ATOM 1409 C LEU A 122 0.299 -10.761 -16.056 1.00 0.00 C ATOM 1410 O LEU A 122 -0.660 -10.226 -15.506 1.00 0.00 O ATOM 1411 CB LEU A 122 0.815 -9.114 -17.850 1.00 0.00 C ATOM 1412 CG LEU A 122 2.012 -8.645 -17.019 1.00 0.00 C ATOM 1413 CD1 LEU A 122 3.277 -9.347 -17.512 1.00 0.00 C ATOM 1414 CD2 LEU A 122 2.185 -7.132 -17.162 1.00 0.00 C ATOM 0 H LEU A 122 -1.519 -10.687 -17.916 1.00 0.00 H new ATOM 0 HA LEU A 122 1.397 -11.176 -17.860 1.00 0.00 H new ATOM 0 HB2 LEU A 122 1.021 -8.982 -18.912 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.062 -8.510 -17.618 1.00 0.00 H new ATOM 0 HG LEU A 122 1.838 -8.889 -15.971 1.00 0.00 H new ATOM 0 HD11 LEU A 122 4.131 -9.015 -16.922 1.00 0.00 H new ATOM 0 HD12 LEU A 122 3.160 -10.425 -17.405 1.00 0.00 H new ATOM 0 HD13 LEU A 122 3.444 -9.102 -18.561 1.00 0.00 H new ATOM 0 HD21 LEU A 122 3.039 -6.806 -16.568 1.00 0.00 H new ATOM 0 HD22 LEU A 122 2.355 -6.883 -18.209 1.00 0.00 H new ATOM 0 HD23 LEU A 122 1.285 -6.628 -16.811 1.00 0.00 H new ATOM 1426 N GLU A 123 1.193 -11.491 -15.407 1.00 0.00 N ATOM 1427 CA GLU A 123 1.091 -11.717 -13.969 1.00 0.00 C ATOM 1428 C GLU A 123 2.322 -11.144 -13.278 1.00 0.00 C ATOM 1429 O GLU A 123 3.444 -11.460 -13.663 1.00 0.00 O ATOM 1430 CB GLU A 123 1.000 -13.217 -13.681 1.00 0.00 C ATOM 1431 CG GLU A 123 0.885 -13.426 -12.173 1.00 0.00 C ATOM 1432 CD GLU A 123 0.979 -14.908 -11.833 1.00 0.00 C ATOM 1433 OE1 GLU A 123 1.333 -15.676 -12.711 1.00 0.00 O ATOM 1434 OE2 GLU A 123 0.710 -15.252 -10.697 1.00 0.00 O ATOM 0 H GLU A 123 1.996 -11.937 -15.850 1.00 0.00 H new ATOM 0 HA GLU A 123 0.194 -11.225 -13.592 1.00 0.00 H new ATOM 0 HB2 GLU A 123 0.136 -13.646 -14.188 1.00 0.00 H new ATOM 0 HB3 GLU A 123 1.882 -13.729 -14.066 1.00 0.00 H new ATOM 0 HG2 GLU A 123 1.677 -12.878 -11.662 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -0.063 -13.024 -11.815 1.00 0.00 H new ATOM 1441 N VAL A 124 2.121 -10.287 -12.271 1.00 0.00 N ATOM 1442 CA VAL A 124 3.268 -9.683 -11.578 1.00 0.00 C ATOM 1443 C VAL A 124 3.167 -9.795 -10.058 1.00 0.00 C ATOM 1444 O VAL A 124 2.195 -9.342 -9.453 1.00 0.00 O ATOM 1445 CB VAL A 124 3.361 -8.190 -11.932 1.00 0.00 C ATOM 1446 CG1 VAL A 124 4.674 -7.600 -11.406 1.00 0.00 C ATOM 1447 CG2 VAL A 124 3.305 -8.004 -13.445 1.00 0.00 C ATOM 0 H VAL A 124 1.205 -10.001 -11.924 1.00 0.00 H new ATOM 0 HA VAL A 124 4.151 -10.230 -11.908 1.00 0.00 H new ATOM 0 HB VAL A 124 2.519 -7.675 -11.468 1.00 0.00 H new ATOM 0 HG11 VAL A 124 4.727 -6.542 -11.664 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.715 -7.712 -10.323 1.00 0.00 H new ATOM 0 HG13 VAL A 124 5.516 -8.126 -11.857 1.00 0.00 H new ATOM 0 HG21 VAL A 124 3.372 -6.943 -13.684 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.138 -8.533 -13.908 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.365 -8.403 -13.826 1.00 0.00 H new ATOM 1457 N GLN A 125 4.205 -10.367 -9.447 1.00 0.00 N ATOM 1458 CA GLN A 125 4.259 -10.497 -7.997 1.00 0.00 C ATOM 1459 C GLN A 125 5.272 -9.487 -7.463 1.00 0.00 C ATOM 1460 O GLN A 125 6.397 -9.405 -7.959 1.00 0.00 O ATOM 1461 CB GLN A 125 4.670 -11.922 -7.610 1.00 0.00 C ATOM 1462 CG GLN A 125 3.556 -12.895 -8.005 1.00 0.00 C ATOM 1463 CD GLN A 125 4.072 -13.931 -9.001 1.00 0.00 C ATOM 1464 OE1 GLN A 125 3.477 -14.055 -10.158 1.00 0.00 O flip ATOM 1465 NE2 GLN A 125 5.032 -14.647 -8.718 1.00 0.00 N flip ATOM 0 H GLN A 125 5.016 -10.746 -9.935 1.00 0.00 H new ATOM 0 HA GLN A 125 3.277 -10.301 -7.566 1.00 0.00 H new ATOM 0 HB2 GLN A 125 5.600 -12.193 -8.110 1.00 0.00 H new ATOM 0 HB3 GLN A 125 4.856 -11.980 -6.538 1.00 0.00 H new ATOM 0 HG2 GLN A 125 3.173 -13.397 -7.117 1.00 0.00 H new ATOM 0 HG3 GLN A 125 2.724 -12.344 -8.444 1.00 0.00 H new ATOM 0 HE21 GLN A 125 5.494 -14.547 -7.814 1.00 0.00 H new ATOM 0 HE22 GLN A 125 5.366 -15.340 -9.387 1.00 0.00 H new ATOM 1474 N TYR A 126 4.858 -8.687 -6.488 1.00 0.00 N ATOM 1475 CA TYR A 126 5.742 -7.658 -5.951 1.00 0.00 C ATOM 1476 C TYR A 126 5.391 -7.305 -4.512 1.00 0.00 C ATOM 1477 O TYR A 126 4.347 -7.703 -3.996 1.00 0.00 O ATOM 1478 CB TYR A 126 5.638 -6.404 -6.824 1.00 0.00 C ATOM 1479 CG TYR A 126 4.304 -5.740 -6.591 1.00 0.00 C ATOM 1480 CD1 TYR A 126 3.183 -6.125 -7.339 1.00 0.00 C ATOM 1481 CD2 TYR A 126 4.185 -4.746 -5.616 1.00 0.00 C ATOM 1482 CE1 TYR A 126 1.945 -5.513 -7.111 1.00 0.00 C ATOM 1483 CE2 TYR A 126 2.948 -4.134 -5.390 1.00 0.00 C ATOM 1484 CZ TYR A 126 1.828 -4.518 -6.137 1.00 0.00 C ATOM 1485 OH TYR A 126 0.610 -3.909 -5.914 1.00 0.00 O ATOM 0 H TYR A 126 3.934 -8.728 -6.059 1.00 0.00 H new ATOM 0 HA TYR A 126 6.760 -8.047 -5.959 1.00 0.00 H new ATOM 0 HB2 TYR A 126 6.447 -5.713 -6.585 1.00 0.00 H new ATOM 0 HB3 TYR A 126 5.746 -6.670 -7.876 1.00 0.00 H new ATOM 0 HD1 TYR A 126 3.274 -6.894 -8.092 1.00 0.00 H new ATOM 0 HD2 TYR A 126 5.048 -4.451 -5.037 1.00 0.00 H new ATOM 0 HE1 TYR A 126 1.081 -5.810 -7.687 1.00 0.00 H new ATOM 0 HE2 TYR A 126 2.857 -3.364 -4.638 1.00 0.00 H new ATOM 0 HH TYR A 126 0.703 -3.241 -5.203 1.00 0.00 H new ATOM 1495 N ASP A 127 6.278 -6.553 -3.867 1.00 0.00 N ATOM 1496 CA ASP A 127 6.061 -6.150 -2.483 1.00 0.00 C ATOM 1497 C ASP A 127 6.205 -4.646 -2.337 1.00 0.00 C ATOM 1498 O ASP A 127 6.762 -3.971 -3.201 1.00 0.00 O ATOM 1499 CB ASP A 127 7.077 -6.829 -1.568 1.00 0.00 C ATOM 1500 CG ASP A 127 7.214 -8.299 -1.942 1.00 0.00 C ATOM 1501 OD1 ASP A 127 6.707 -8.675 -2.986 1.00 0.00 O ATOM 1502 OD2 ASP A 127 7.829 -9.024 -1.182 1.00 0.00 O ATOM 0 H ASP A 127 7.148 -6.213 -4.278 1.00 0.00 H new ATOM 0 HA ASP A 127 5.052 -6.449 -2.201 1.00 0.00 H new ATOM 0 HB2 ASP A 127 8.044 -6.332 -1.652 1.00 0.00 H new ATOM 0 HB3 ASP A 127 6.761 -6.738 -0.529 1.00 0.00 H new ATOM 1507 N CYS A 128 5.698 -4.132 -1.230 1.00 0.00 N ATOM 1508 CA CYS A 128 5.772 -2.710 -0.963 1.00 0.00 C ATOM 1509 C CYS A 128 6.679 -2.443 0.229 1.00 0.00 C ATOM 1510 O CYS A 128 6.377 -2.843 1.353 1.00 0.00 O ATOM 1511 CB CYS A 128 4.369 -2.177 -0.689 1.00 0.00 C ATOM 1512 SG CYS A 128 3.354 -2.429 -2.162 1.00 0.00 S ATOM 0 H CYS A 128 5.232 -4.678 -0.505 1.00 0.00 H new ATOM 0 HA CYS A 128 6.190 -2.201 -1.831 1.00 0.00 H new ATOM 0 HB2 CYS A 128 3.929 -2.692 0.165 1.00 0.00 H new ATOM 0 HB3 CYS A 128 4.410 -1.118 -0.436 1.00 0.00 H new ATOM 1517 N VAL A 129 7.797 -1.773 -0.027 1.00 0.00 N ATOM 1518 CA VAL A 129 8.740 -1.464 1.037 1.00 0.00 C ATOM 1519 C VAL A 129 8.856 0.044 1.223 1.00 0.00 C ATOM 1520 O VAL A 129 8.672 0.806 0.275 1.00 0.00 O ATOM 1521 CB VAL A 129 10.114 -2.052 0.710 1.00 0.00 C ATOM 1522 CG1 VAL A 129 9.976 -3.558 0.477 1.00 0.00 C ATOM 1523 CG2 VAL A 129 10.679 -1.384 -0.549 1.00 0.00 C ATOM 0 H VAL A 129 8.069 -1.438 -0.951 1.00 0.00 H new ATOM 0 HA VAL A 129 8.373 -1.906 1.963 1.00 0.00 H new ATOM 0 HB VAL A 129 10.794 -1.872 1.543 1.00 0.00 H new ATOM 0 HG11 VAL A 129 10.953 -3.981 0.244 1.00 0.00 H new ATOM 0 HG12 VAL A 129 9.581 -4.031 1.376 1.00 0.00 H new ATOM 0 HG13 VAL A 129 9.295 -3.737 -0.355 1.00 0.00 H new ATOM 0 HG21 VAL A 129 11.658 -1.807 -0.777 1.00 0.00 H new ATOM 0 HG22 VAL A 129 10.004 -1.558 -1.387 1.00 0.00 H new ATOM 0 HG23 VAL A 129 10.777 -0.312 -0.379 1.00 0.00 H new ATOM 1533 N PRO A 130 9.170 0.490 2.414 1.00 0.00 N ATOM 1534 CA PRO A 130 9.326 1.944 2.698 1.00 0.00 C ATOM 1535 C PRO A 130 10.329 2.603 1.751 1.00 0.00 C ATOM 1536 O PRO A 130 11.269 1.961 1.281 1.00 0.00 O ATOM 1537 CB PRO A 130 9.845 2.009 4.134 1.00 0.00 C ATOM 1538 CG PRO A 130 9.584 0.674 4.745 1.00 0.00 C ATOM 1539 CD PRO A 130 9.399 -0.333 3.612 1.00 0.00 C ATOM 0 HA PRO A 130 8.384 2.475 2.561 1.00 0.00 H new ATOM 0 HB2 PRO A 130 10.910 2.241 4.150 1.00 0.00 H new ATOM 0 HB3 PRO A 130 9.339 2.796 4.693 1.00 0.00 H new ATOM 0 HG2 PRO A 130 10.415 0.379 5.386 1.00 0.00 H new ATOM 0 HG3 PRO A 130 8.694 0.709 5.373 1.00 0.00 H new ATOM 0 HD2 PRO A 130 10.280 -0.965 3.496 1.00 0.00 H new ATOM 0 HD3 PRO A 130 8.555 -0.995 3.805 1.00 0.00 H new