USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 825 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 72 HIS : no HD1:sc= 0.505 K(o=1.6,f=-9!) USER MOD Set 1.2: B 3 THR OG1 : rot 21:sc= 1.1 USER MOD Single : A 15 CYS SG : rot -73:sc= 0.979 USER MOD Single : A 16 CYS SG : rot 44:sc= 0.025 USER MOD Single : A 19 LYS NZ :NH3+ -125:sc= 0.752 (180deg=0.184) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 TYR OH : rot -149:sc= -0.818! USER MOD Single : A 27 HIS : no HD1:sc= -0.0028 X(o=-0.0028,f=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -118:sc= 0.0303 (180deg=-0.00269) USER MOD Single : A 37 GLN : amide:sc= -1.36! C(o=-1.4!,f=-2!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -70:sc= 1.24 USER MOD Single : A 50 LYS NZ :NH3+ -161:sc= 1.27 (180deg=1.14) USER MOD Single : A 63 ASN : amide:sc= -1.74! C(o=-1.7!,f=-6.5!) USER MOD Single : A 66 ASN : amide:sc= -0.793 K(o=-0.79,f=-5.9!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -170:sc= -0.127 USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 74 GLN : amide:sc= 0.776 K(o=0.78,f=-0.2) USER MOD Single : A 77 SER OG : rot 180:sc= 0.772 USER MOD Single : A 84 ASN : amide:sc= -0.708 K(o=-0.71,f=-3.9!) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.958 USER MOD Single : A 98 GLN :FLIP amide:sc= -0.0251 F(o=-1.2,f=-0.025) USER MOD Single : A 100 GLN : amide:sc= 0.217 X(o=0.22,f=0) USER MOD Single : A 101 LYS NZ :NH3+ -179:sc= 0.285 (180deg=0.275) USER MOD Single : A 105 GLN : amide:sc= -0.0212 X(o=-0.021,f=0) USER MOD ----------------------------------------------------------------- ATOM 106 N LEU A 11 -11.826 -6.148 -4.672 1.00 0.00 N ATOM 107 CA LEU A 11 -10.927 -5.834 -3.571 1.00 0.00 C ATOM 108 C LEU A 11 -10.441 -4.380 -3.646 1.00 0.00 C ATOM 109 O LEU A 11 -10.489 -3.755 -4.709 1.00 0.00 O ATOM 110 CB LEU A 11 -9.745 -6.844 -3.488 1.00 0.00 C ATOM 111 CG LEU A 11 -9.037 -7.275 -4.791 1.00 0.00 C ATOM 112 CD1 LEU A 11 -9.932 -8.150 -5.653 1.00 0.00 C ATOM 113 CD2 LEU A 11 -8.534 -6.071 -5.571 1.00 0.00 C ATOM 0 HA LEU A 11 -11.492 -5.936 -2.644 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.990 -6.414 -2.830 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -10.116 -7.746 -3.001 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.172 -7.873 -4.505 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.399 -8.433 -6.561 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.206 -9.047 -5.099 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.833 -7.598 -5.919 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.041 -6.408 -6.483 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.375 -5.428 -5.830 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.825 -5.512 -4.960 1.00 0.00 H new ATOM 125 N PRO A 12 -9.985 -3.821 -2.509 1.00 0.00 N ATOM 126 CA PRO A 12 -9.602 -2.408 -2.419 1.00 0.00 C ATOM 127 C PRO A 12 -8.372 -2.065 -3.252 1.00 0.00 C ATOM 128 O PRO A 12 -7.563 -2.932 -3.589 1.00 0.00 O ATOM 129 CB PRO A 12 -9.316 -2.204 -0.928 1.00 0.00 C ATOM 130 CG PRO A 12 -8.992 -3.559 -0.410 1.00 0.00 C ATOM 131 CD PRO A 12 -9.809 -4.520 -1.224 1.00 0.00 C ATOM 0 HA PRO A 12 -10.386 -1.760 -2.810 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -8.486 -1.514 -0.776 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -10.180 -1.781 -0.415 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -7.927 -3.770 -0.510 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -9.235 -3.640 0.649 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -9.296 -5.473 -1.353 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -10.767 -4.734 -0.750 1.00 0.00 H new ATOM 139 N ARG A 13 -8.237 -0.786 -3.572 1.00 0.00 N ATOM 140 CA ARG A 13 -7.144 -0.309 -4.407 1.00 0.00 C ATOM 141 C ARG A 13 -6.236 0.632 -3.623 1.00 0.00 C ATOM 142 O ARG A 13 -6.705 1.566 -2.971 1.00 0.00 O ATOM 143 CB ARG A 13 -7.710 0.396 -5.644 1.00 0.00 C ATOM 144 CG ARG A 13 -8.716 1.489 -5.311 1.00 0.00 C ATOM 145 CD ARG A 13 -9.453 1.982 -6.545 1.00 0.00 C ATOM 146 NE ARG A 13 -10.175 0.901 -7.214 1.00 0.00 N ATOM 147 CZ ARG A 13 -11.498 0.745 -7.176 1.00 0.00 C ATOM 148 NH1 ARG A 13 -12.259 1.623 -6.532 1.00 0.00 N ATOM 149 NH2 ARG A 13 -12.053 -0.285 -7.798 1.00 0.00 N ATOM 0 H ARG A 13 -8.877 -0.054 -3.263 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.546 -1.163 -4.726 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.888 0.830 -6.213 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.188 -0.343 -6.287 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.436 1.110 -4.586 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -8.200 2.325 -4.839 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.155 2.766 -6.260 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -8.741 2.428 -7.240 1.00 0.00 H new ATOM 0 HE ARG A 13 -9.630 0.221 -7.745 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.831 2.422 -6.063 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.271 1.499 -6.506 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -11.468 -0.952 -8.302 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.065 -0.411 -7.773 1.00 0.00 H new ATOM 163 N LEU A 14 -4.939 0.366 -3.672 1.00 0.00 N ATOM 164 CA LEU A 14 -3.963 1.205 -2.997 1.00 0.00 C ATOM 165 C LEU A 14 -3.541 2.348 -3.913 1.00 0.00 C ATOM 166 O LEU A 14 -3.024 2.120 -5.009 1.00 0.00 O ATOM 167 CB LEU A 14 -2.744 0.378 -2.574 1.00 0.00 C ATOM 168 CG LEU A 14 -1.694 1.144 -1.769 1.00 0.00 C ATOM 169 CD1 LEU A 14 -2.329 1.781 -0.543 1.00 0.00 C ATOM 170 CD2 LEU A 14 -0.555 0.221 -1.362 1.00 0.00 C ATOM 0 H LEU A 14 -4.539 -0.427 -4.174 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.419 1.623 -2.099 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.087 -0.471 -1.982 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.270 -0.028 -3.468 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.285 1.935 -2.398 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.569 2.323 0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.111 2.473 -0.856 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.763 1.004 0.087 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.183 0.784 -0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.946 -0.591 -0.750 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.084 -0.191 -2.254 1.00 0.00 H new ATOM 182 N CYS A 15 -3.772 3.574 -3.470 1.00 0.00 N ATOM 183 CA CYS A 15 -3.531 4.733 -4.307 1.00 0.00 C ATOM 184 C CYS A 15 -2.423 5.606 -3.737 1.00 0.00 C ATOM 185 O CYS A 15 -2.487 6.038 -2.586 1.00 0.00 O ATOM 186 CB CYS A 15 -4.822 5.537 -4.471 1.00 0.00 C ATOM 187 SG CYS A 15 -6.165 4.606 -5.242 1.00 0.00 S ATOM 0 H CYS A 15 -4.125 3.789 -2.538 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.204 4.385 -5.287 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -5.149 5.886 -3.492 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.614 6.423 -5.072 1.00 0.00 H new ATOM 0 HG CYS A 15 -5.916 4.454 -6.509 1.00 0.00 H new ATOM 193 N CYS A 16 -1.398 5.839 -4.537 1.00 0.00 N ATOM 194 CA CYS A 16 -0.354 6.780 -4.177 1.00 0.00 C ATOM 195 C CYS A 16 -0.483 8.039 -5.030 1.00 0.00 C ATOM 196 O CYS A 16 -0.203 8.030 -6.228 1.00 0.00 O ATOM 197 CB CYS A 16 1.030 6.138 -4.326 1.00 0.00 C ATOM 198 SG CYS A 16 1.296 5.270 -5.889 1.00 0.00 S ATOM 0 H CYS A 16 -1.267 5.388 -5.442 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.468 7.061 -3.130 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.788 6.914 -4.224 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.180 5.436 -3.506 1.00 0.00 H new ATOM 0 HG CYS A 16 0.840 5.992 -6.869 1.00 0.00 H new ATOM 204 N LEU A 17 -0.938 9.113 -4.408 1.00 0.00 N ATOM 205 CA LEU A 17 -1.178 10.359 -5.121 1.00 0.00 C ATOM 206 C LEU A 17 0.068 11.225 -5.133 1.00 0.00 C ATOM 207 O LEU A 17 0.759 11.346 -4.120 1.00 0.00 O ATOM 208 CB LEU A 17 -2.341 11.139 -4.497 1.00 0.00 C ATOM 209 CG LEU A 17 -3.744 10.591 -4.782 1.00 0.00 C ATOM 210 CD1 LEU A 17 -3.998 9.294 -4.038 1.00 0.00 C ATOM 211 CD2 LEU A 17 -4.796 11.624 -4.421 1.00 0.00 C ATOM 0 H LEU A 17 -1.149 9.149 -3.411 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.440 10.101 -6.147 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.196 11.168 -3.417 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.295 12.168 -4.852 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.808 10.378 -5.849 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.002 8.935 -4.264 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.267 8.547 -4.349 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.907 9.466 -2.965 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.787 11.221 -4.629 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.718 11.868 -3.362 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.639 12.525 -5.013 1.00 0.00 H new ATOM 223 N GLU A 18 0.352 11.810 -6.288 1.00 0.00 N ATOM 224 CA GLU A 18 1.465 12.735 -6.428 1.00 0.00 C ATOM 225 C GLU A 18 1.008 14.145 -6.080 1.00 0.00 C ATOM 226 O GLU A 18 -0.099 14.550 -6.437 1.00 0.00 O ATOM 227 CB GLU A 18 1.999 12.737 -7.865 1.00 0.00 C ATOM 228 CG GLU A 18 2.271 11.358 -8.444 1.00 0.00 C ATOM 229 CD GLU A 18 2.766 11.430 -9.875 1.00 0.00 C ATOM 230 OE1 GLU A 18 1.930 11.533 -10.799 1.00 0.00 O ATOM 231 OE2 GLU A 18 3.997 11.409 -10.088 1.00 0.00 O ATOM 0 H GLU A 18 -0.178 11.658 -7.146 1.00 0.00 H new ATOM 0 HA GLU A 18 2.257 12.413 -5.752 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.280 13.249 -8.504 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.922 13.317 -7.894 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.012 10.847 -7.829 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.359 10.762 -8.405 1.00 0.00 H new ATOM 238 N LYS A 19 1.849 14.880 -5.375 1.00 0.00 N ATOM 239 CA LYS A 19 1.580 16.279 -5.088 1.00 0.00 C ATOM 240 C LYS A 19 1.703 17.103 -6.362 1.00 0.00 C ATOM 241 O LYS A 19 2.802 17.309 -6.882 1.00 0.00 O ATOM 242 CB LYS A 19 2.541 16.810 -4.018 1.00 0.00 C ATOM 243 CG LYS A 19 2.413 18.304 -3.749 1.00 0.00 C ATOM 244 CD LYS A 19 1.061 18.662 -3.149 1.00 0.00 C ATOM 245 CE LYS A 19 0.831 17.957 -1.821 1.00 0.00 C ATOM 246 NZ LYS A 19 1.842 18.334 -0.795 1.00 0.00 N ATOM 0 H LYS A 19 2.726 14.531 -4.989 1.00 0.00 H new ATOM 0 HA LYS A 19 0.563 16.364 -4.705 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.366 16.269 -3.088 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.564 16.594 -4.325 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.206 18.619 -3.070 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.553 18.853 -4.680 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.001 19.741 -3.004 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.269 18.390 -3.847 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.165 18.200 -1.452 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.859 16.878 -1.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.298 17.476 -0.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.561 18.949 -1.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.374 18.841 -0.017 1.00 0.00 H new ATOM 260 N GLY A 20 0.569 17.556 -6.863 1.00 0.00 N ATOM 261 CA GLY A 20 0.559 18.380 -8.049 1.00 0.00 C ATOM 262 C GLY A 20 0.819 19.836 -7.724 1.00 0.00 C ATOM 263 O GLY A 20 1.429 20.145 -6.696 1.00 0.00 O ATOM 0 H GLY A 20 -0.352 17.366 -6.467 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.316 18.022 -8.747 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.405 18.286 -8.549 1.00 0.00 H new ATOM 267 N PRO A 21 0.355 20.757 -8.577 1.00 0.00 N ATOM 268 CA PRO A 21 0.581 22.194 -8.400 1.00 0.00 C ATOM 269 C PRO A 21 0.055 22.711 -7.062 1.00 0.00 C ATOM 270 O PRO A 21 0.777 23.376 -6.320 1.00 0.00 O ATOM 271 CB PRO A 21 -0.183 22.832 -9.568 1.00 0.00 C ATOM 272 CG PRO A 21 -1.113 21.774 -10.060 1.00 0.00 C ATOM 273 CD PRO A 21 -0.425 20.469 -9.790 1.00 0.00 C ATOM 0 HA PRO A 21 1.644 22.436 -8.393 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -0.731 23.716 -9.242 1.00 0.00 H new ATOM 0 HB3 PRO A 21 0.499 23.152 -10.355 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.072 21.825 -9.544 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -1.317 21.896 -11.124 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -1.139 19.661 -9.630 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.214 20.169 -10.620 1.00 0.00 H new ATOM 281 N ASN A 22 -1.197 22.402 -6.752 1.00 0.00 N ATOM 282 CA ASN A 22 -1.800 22.832 -5.495 1.00 0.00 C ATOM 283 C ASN A 22 -2.609 21.708 -4.866 1.00 0.00 C ATOM 284 O ASN A 22 -3.811 21.846 -4.649 1.00 0.00 O ATOM 285 CB ASN A 22 -2.698 24.062 -5.702 1.00 0.00 C ATOM 286 CG ASN A 22 -1.915 25.354 -5.820 1.00 0.00 C ATOM 287 OD1 ASN A 22 -1.586 25.988 -4.816 1.00 0.00 O ATOM 288 ND2 ASN A 22 -1.639 25.775 -7.041 1.00 0.00 N ATOM 0 H ASN A 22 -1.815 21.856 -7.352 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.987 23.102 -4.821 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.295 23.922 -6.603 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.395 24.141 -4.867 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -1.137 26.653 -7.177 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -1.928 25.223 -7.848 1.00 0.00 H new ATOM 295 N GLY A 23 -1.954 20.595 -4.578 1.00 0.00 N ATOM 296 CA GLY A 23 -2.631 19.492 -3.932 1.00 0.00 C ATOM 297 C GLY A 23 -2.644 18.245 -4.786 1.00 0.00 C ATOM 298 O GLY A 23 -1.616 17.867 -5.343 1.00 0.00 O ATOM 0 H GLY A 23 -0.967 20.436 -4.780 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.141 19.274 -2.983 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.656 19.783 -3.702 1.00 0.00 H new ATOM 302 N TYR A 24 -3.803 17.614 -4.905 1.00 0.00 N ATOM 303 CA TYR A 24 -3.899 16.332 -5.597 1.00 0.00 C ATOM 304 C TYR A 24 -4.985 16.358 -6.664 1.00 0.00 C ATOM 305 O TYR A 24 -4.935 15.593 -7.624 1.00 0.00 O ATOM 306 CB TYR A 24 -4.157 15.213 -4.589 1.00 0.00 C ATOM 307 CG TYR A 24 -3.153 15.213 -3.462 1.00 0.00 C ATOM 308 CD1 TYR A 24 -1.879 14.699 -3.644 1.00 0.00 C ATOM 309 CD2 TYR A 24 -3.472 15.766 -2.230 1.00 0.00 C ATOM 310 CE1 TYR A 24 -0.951 14.723 -2.625 1.00 0.00 C ATOM 311 CE2 TYR A 24 -2.549 15.801 -1.208 1.00 0.00 C ATOM 312 CZ TYR A 24 -1.291 15.280 -1.409 1.00 0.00 C ATOM 313 OH TYR A 24 -0.372 15.323 -0.390 1.00 0.00 O ATOM 0 H TYR A 24 -4.687 17.964 -4.535 1.00 0.00 H new ATOM 0 HA TYR A 24 -2.951 16.143 -6.100 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -5.161 15.322 -4.178 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.125 14.251 -5.101 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.609 14.273 -4.599 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -4.459 16.175 -2.070 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.035 14.309 -2.777 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -2.811 16.235 -0.254 1.00 0.00 H new ATOM 0 HH TYR A 24 -0.836 15.268 0.471 1.00 0.00 H new ATOM 323 N GLY A 25 -5.976 17.215 -6.476 1.00 0.00 N ATOM 324 CA GLY A 25 -6.944 17.468 -7.519 1.00 0.00 C ATOM 325 C GLY A 25 -8.299 16.830 -7.270 1.00 0.00 C ATOM 326 O GLY A 25 -9.008 16.496 -8.219 1.00 0.00 O ATOM 0 H GLY A 25 -6.127 17.741 -5.615 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.075 18.545 -7.626 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.548 17.099 -8.465 1.00 0.00 H new ATOM 330 N PHE A 26 -8.685 16.665 -6.012 1.00 0.00 N ATOM 331 CA PHE A 26 -10.002 16.132 -5.712 1.00 0.00 C ATOM 332 C PHE A 26 -10.673 16.960 -4.632 1.00 0.00 C ATOM 333 O PHE A 26 -10.058 17.825 -4.022 1.00 0.00 O ATOM 334 CB PHE A 26 -9.937 14.650 -5.308 1.00 0.00 C ATOM 335 CG PHE A 26 -9.129 14.360 -4.072 1.00 0.00 C ATOM 336 CD1 PHE A 26 -7.746 14.289 -4.130 1.00 0.00 C ATOM 337 CD2 PHE A 26 -9.755 14.134 -2.854 1.00 0.00 C ATOM 338 CE1 PHE A 26 -7.005 14.006 -3.001 1.00 0.00 C ATOM 339 CE2 PHE A 26 -9.017 13.850 -1.722 1.00 0.00 C ATOM 340 CZ PHE A 26 -7.641 13.784 -1.796 1.00 0.00 C ATOM 0 H PHE A 26 -8.114 16.889 -5.197 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.602 16.193 -6.620 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -10.953 14.287 -5.153 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -9.519 14.081 -6.138 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.242 14.457 -5.070 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -10.832 14.181 -2.791 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.928 13.958 -3.060 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -9.516 13.680 -0.780 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.062 13.559 -0.912 1.00 0.00 H new ATOM 350 N HIS A 27 -11.951 16.720 -4.425 1.00 0.00 N ATOM 351 CA HIS A 27 -12.702 17.453 -3.423 1.00 0.00 C ATOM 352 C HIS A 27 -13.153 16.505 -2.327 1.00 0.00 C ATOM 353 O HIS A 27 -13.936 15.589 -2.579 1.00 0.00 O ATOM 354 CB HIS A 27 -13.910 18.151 -4.057 1.00 0.00 C ATOM 355 CG HIS A 27 -13.548 19.238 -5.026 1.00 0.00 C ATOM 356 ND1 HIS A 27 -13.767 20.571 -4.774 1.00 0.00 N ATOM 357 CD2 HIS A 27 -12.988 19.181 -6.258 1.00 0.00 C ATOM 358 CE1 HIS A 27 -13.360 21.288 -5.800 1.00 0.00 C ATOM 359 NE2 HIS A 27 -12.880 20.468 -6.718 1.00 0.00 N ATOM 0 H HIS A 27 -12.493 16.023 -4.936 1.00 0.00 H new ATOM 0 HA HIS A 27 -12.058 18.218 -2.990 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -14.518 17.407 -4.572 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -14.528 18.575 -3.266 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -12.683 18.287 -6.781 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -13.410 22.364 -5.878 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -12.493 20.746 -7.620 1.00 0.00 H new ATOM 368 N LEU A 28 -12.661 16.730 -1.118 1.00 0.00 N ATOM 369 CA LEU A 28 -12.951 15.846 -0.001 1.00 0.00 C ATOM 370 C LEU A 28 -14.059 16.443 0.851 1.00 0.00 C ATOM 371 O LEU A 28 -13.958 17.572 1.323 1.00 0.00 O ATOM 372 CB LEU A 28 -11.676 15.618 0.835 1.00 0.00 C ATOM 373 CG LEU A 28 -11.696 14.430 1.817 1.00 0.00 C ATOM 374 CD1 LEU A 28 -12.561 14.719 3.035 1.00 0.00 C ATOM 375 CD2 LEU A 28 -12.172 13.166 1.119 1.00 0.00 C ATOM 0 H LEU A 28 -12.058 17.519 -0.886 1.00 0.00 H new ATOM 0 HA LEU A 28 -13.288 14.881 -0.379 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.840 15.479 0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.475 16.526 1.403 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.674 14.278 2.165 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -12.549 13.857 3.703 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.170 15.591 3.560 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.584 14.916 2.716 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.179 12.339 1.829 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -13.179 13.321 0.733 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.499 12.930 0.294 1.00 0.00 H new ATOM 387 N HIS A 29 -15.126 15.687 1.031 1.00 0.00 N ATOM 388 CA HIS A 29 -16.228 16.113 1.876 1.00 0.00 C ATOM 389 C HIS A 29 -16.407 15.145 3.033 1.00 0.00 C ATOM 390 O HIS A 29 -16.227 13.939 2.873 1.00 0.00 O ATOM 391 CB HIS A 29 -17.525 16.197 1.078 1.00 0.00 C ATOM 392 CG HIS A 29 -17.780 17.548 0.501 1.00 0.00 C ATOM 393 ND1 HIS A 29 -18.825 18.347 0.902 1.00 0.00 N ATOM 394 CD2 HIS A 29 -17.118 18.242 -0.450 1.00 0.00 C ATOM 395 CE1 HIS A 29 -18.796 19.476 0.222 1.00 0.00 C ATOM 396 NE2 HIS A 29 -17.769 19.435 -0.602 1.00 0.00 N ATOM 0 H HIS A 29 -15.254 14.771 0.602 1.00 0.00 H new ATOM 0 HA HIS A 29 -15.991 17.103 2.264 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -17.494 15.465 0.271 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -18.359 15.923 1.724 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -16.240 17.916 -0.989 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -19.494 20.294 0.323 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -17.502 20.176 -1.250 1.00 0.00 H new ATOM 405 N GLY A 30 -16.743 15.673 4.196 1.00 0.00 N ATOM 406 CA GLY A 30 -17.006 14.830 5.339 1.00 0.00 C ATOM 407 C GLY A 30 -18.423 15.008 5.822 1.00 0.00 C ATOM 408 O GLY A 30 -18.872 16.136 6.036 1.00 0.00 O ATOM 0 H GLY A 30 -16.839 16.674 4.370 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -16.836 13.787 5.074 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -16.310 15.072 6.142 1.00 0.00 H new ATOM 412 N GLU A 31 -19.133 13.910 5.988 1.00 0.00 N ATOM 413 CA GLU A 31 -20.527 13.976 6.379 1.00 0.00 C ATOM 414 C GLU A 31 -20.709 13.454 7.795 1.00 0.00 C ATOM 415 O GLU A 31 -19.943 12.601 8.250 1.00 0.00 O ATOM 416 CB GLU A 31 -21.395 13.200 5.384 1.00 0.00 C ATOM 417 CG GLU A 31 -21.304 13.747 3.965 1.00 0.00 C ATOM 418 CD GLU A 31 -22.307 13.119 3.020 1.00 0.00 C ATOM 419 OE1 GLU A 31 -23.493 13.512 3.061 1.00 0.00 O ATOM 420 OE2 GLU A 31 -21.918 12.238 2.225 1.00 0.00 O ATOM 0 H GLU A 31 -18.770 12.966 5.859 1.00 0.00 H new ATOM 0 HA GLU A 31 -20.847 15.018 6.365 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -21.092 12.153 5.384 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -22.433 13.231 5.714 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -21.461 14.825 3.987 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -20.298 13.579 3.581 1.00 0.00 H new ATOM 427 N LYS A 32 -21.709 14.004 8.485 1.00 0.00 N ATOM 428 CA LYS A 32 -22.008 13.671 9.881 1.00 0.00 C ATOM 429 C LYS A 32 -20.959 14.252 10.832 1.00 0.00 C ATOM 430 O LYS A 32 -21.301 14.947 11.791 1.00 0.00 O ATOM 431 CB LYS A 32 -22.150 12.155 10.085 1.00 0.00 C ATOM 432 CG LYS A 32 -23.341 11.547 9.356 1.00 0.00 C ATOM 433 CD LYS A 32 -24.646 12.223 9.751 1.00 0.00 C ATOM 434 CE LYS A 32 -24.897 12.125 11.248 1.00 0.00 C ATOM 435 NZ LYS A 32 -26.121 12.856 11.662 1.00 0.00 N ATOM 0 H LYS A 32 -22.341 14.700 8.088 1.00 0.00 H new ATOM 0 HA LYS A 32 -22.968 14.129 10.120 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -21.238 11.665 9.744 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -22.244 11.948 11.151 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -23.195 11.639 8.280 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -23.400 10.482 9.580 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -24.618 13.271 9.454 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -25.473 11.761 9.212 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -24.989 11.076 11.531 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -24.038 12.526 11.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -26.251 12.761 12.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -26.024 13.862 11.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -26.946 12.458 11.170 1.00 0.00 H new ATOM 449 N GLY A 33 -19.691 13.982 10.567 1.00 0.00 N ATOM 450 CA GLY A 33 -18.637 14.541 11.387 1.00 0.00 C ATOM 451 C GLY A 33 -17.563 13.533 11.734 1.00 0.00 C ATOM 452 O GLY A 33 -16.493 13.908 12.214 1.00 0.00 O ATOM 0 H GLY A 33 -19.373 13.388 9.801 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -18.183 15.382 10.863 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -19.069 14.935 12.307 1.00 0.00 H new ATOM 456 N LYS A 34 -17.847 12.258 11.505 1.00 0.00 N ATOM 457 CA LYS A 34 -16.886 11.200 11.781 1.00 0.00 C ATOM 458 C LYS A 34 -16.899 10.154 10.682 1.00 0.00 C ATOM 459 O LYS A 34 -15.995 10.096 9.852 1.00 0.00 O ATOM 460 CB LYS A 34 -17.186 10.526 13.124 1.00 0.00 C ATOM 461 CG LYS A 34 -16.709 11.308 14.332 1.00 0.00 C ATOM 462 CD LYS A 34 -15.192 11.320 14.396 1.00 0.00 C ATOM 463 CE LYS A 34 -14.674 11.955 15.676 1.00 0.00 C ATOM 464 NZ LYS A 34 -13.198 11.813 15.799 1.00 0.00 N ATOM 0 H LYS A 34 -18.737 11.931 11.128 1.00 0.00 H new ATOM 0 HA LYS A 34 -15.899 11.660 11.824 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -18.262 10.370 13.207 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -16.720 9.541 13.136 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -17.084 12.330 14.282 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -17.113 10.864 15.242 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -14.819 10.298 14.323 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -14.799 11.865 13.538 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -14.941 13.012 15.693 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -15.158 11.490 16.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.973 11.253 16.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.824 11.333 14.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.764 12.755 15.882 1.00 0.00 H new ATOM 478 N LEU A 35 -17.941 9.343 10.671 1.00 0.00 N ATOM 479 CA LEU A 35 -18.012 8.222 9.751 1.00 0.00 C ATOM 480 C LEU A 35 -18.534 8.654 8.393 1.00 0.00 C ATOM 481 O LEU A 35 -19.682 9.088 8.263 1.00 0.00 O ATOM 482 CB LEU A 35 -18.911 7.123 10.311 1.00 0.00 C ATOM 483 CG LEU A 35 -18.538 6.609 11.699 1.00 0.00 C ATOM 484 CD1 LEU A 35 -19.532 5.557 12.150 1.00 0.00 C ATOM 485 CD2 LEU A 35 -17.127 6.040 11.704 1.00 0.00 C ATOM 0 H LEU A 35 -18.748 9.439 11.287 1.00 0.00 H new ATOM 0 HA LEU A 35 -17.000 7.836 9.630 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -19.934 7.497 10.345 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -18.902 6.282 9.617 1.00 0.00 H new ATOM 0 HG LEU A 35 -18.569 7.446 12.396 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -19.256 5.197 13.141 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -20.531 5.992 12.187 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -19.525 4.724 11.447 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -16.883 5.680 12.704 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -17.065 5.214 10.996 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -16.420 6.818 11.416 1.00 0.00 H new ATOM 497 N GLY A 36 -17.691 8.519 7.386 1.00 0.00 N ATOM 498 CA GLY A 36 -18.111 8.795 6.028 1.00 0.00 C ATOM 499 C GLY A 36 -17.357 9.944 5.388 1.00 0.00 C ATOM 500 O GLY A 36 -17.845 11.077 5.356 1.00 0.00 O ATOM 0 H GLY A 36 -16.720 8.222 7.483 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -17.974 7.898 5.424 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -19.177 9.022 6.024 1.00 0.00 H new ATOM 504 N GLN A 37 -16.170 9.654 4.876 1.00 0.00 N ATOM 505 CA GLN A 37 -15.402 10.636 4.122 1.00 0.00 C ATOM 506 C GLN A 37 -15.586 10.363 2.636 1.00 0.00 C ATOM 507 O GLN A 37 -15.214 9.299 2.149 1.00 0.00 O ATOM 508 CB GLN A 37 -13.920 10.567 4.497 1.00 0.00 C ATOM 509 CG GLN A 37 -13.673 10.608 5.996 1.00 0.00 C ATOM 510 CD GLN A 37 -14.245 11.852 6.657 1.00 0.00 C ATOM 511 OE1 GLN A 37 -14.307 12.930 6.055 1.00 0.00 O ATOM 512 NE2 GLN A 37 -14.678 11.708 7.901 1.00 0.00 N ATOM 0 H GLN A 37 -15.716 8.745 4.969 1.00 0.00 H new ATOM 0 HA GLN A 37 -15.759 11.638 4.360 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -13.493 9.650 4.091 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.395 11.399 4.027 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -14.114 9.723 6.456 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -12.600 10.564 6.184 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -14.609 10.801 8.363 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -15.080 12.504 8.396 1.00 0.00 H new ATOM 521 N TYR A 38 -16.158 11.315 1.917 1.00 0.00 N ATOM 522 CA TYR A 38 -16.557 11.077 0.539 1.00 0.00 C ATOM 523 C TYR A 38 -15.884 12.039 -0.420 1.00 0.00 C ATOM 524 O TYR A 38 -15.751 13.235 -0.147 1.00 0.00 O ATOM 525 CB TYR A 38 -18.076 11.179 0.391 1.00 0.00 C ATOM 526 CG TYR A 38 -18.817 9.984 0.939 1.00 0.00 C ATOM 527 CD1 TYR A 38 -18.956 8.829 0.181 1.00 0.00 C ATOM 528 CD2 TYR A 38 -19.386 10.010 2.207 1.00 0.00 C ATOM 529 CE1 TYR A 38 -19.632 7.731 0.672 1.00 0.00 C ATOM 530 CE2 TYR A 38 -20.063 8.914 2.706 1.00 0.00 C ATOM 531 CZ TYR A 38 -20.186 7.778 1.932 1.00 0.00 C ATOM 532 OH TYR A 38 -20.863 6.685 2.421 1.00 0.00 O ATOM 0 H TYR A 38 -16.356 12.254 2.262 1.00 0.00 H new ATOM 0 HA TYR A 38 -16.236 10.067 0.284 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -18.423 12.077 0.902 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -18.323 11.297 -0.664 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -18.528 8.789 -0.810 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -19.297 10.901 2.811 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -19.726 6.839 0.071 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -20.493 8.946 3.696 1.00 0.00 H new ATOM 0 HH TYR A 38 -21.191 6.880 3.324 1.00 0.00 H new ATOM 542 N ILE A 39 -15.454 11.494 -1.538 1.00 0.00 N ATOM 543 CA ILE A 39 -14.894 12.280 -2.616 1.00 0.00 C ATOM 544 C ILE A 39 -16.028 12.872 -3.447 1.00 0.00 C ATOM 545 O ILE A 39 -16.916 12.151 -3.902 1.00 0.00 O ATOM 546 CB ILE A 39 -14.005 11.394 -3.514 1.00 0.00 C ATOM 547 CG1 ILE A 39 -12.943 10.682 -2.677 1.00 0.00 C ATOM 548 CG2 ILE A 39 -13.348 12.195 -4.629 1.00 0.00 C ATOM 549 CD1 ILE A 39 -11.934 11.600 -2.031 1.00 0.00 C ATOM 0 H ILE A 39 -15.483 10.492 -1.725 1.00 0.00 H new ATOM 0 HA ILE A 39 -14.285 13.081 -2.197 1.00 0.00 H new ATOM 0 HB ILE A 39 -14.651 10.650 -3.980 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -13.440 10.104 -1.898 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -12.414 9.972 -3.312 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.731 11.534 -5.237 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -14.118 12.649 -5.253 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.724 12.977 -4.196 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.220 11.009 -1.457 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.405 12.160 -2.802 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.447 12.294 -1.366 1.00 0.00 H new ATOM 561 N ARG A 40 -16.012 14.182 -3.628 1.00 0.00 N ATOM 562 CA ARG A 40 -17.078 14.849 -4.365 1.00 0.00 C ATOM 563 C ARG A 40 -16.768 14.883 -5.857 1.00 0.00 C ATOM 564 O ARG A 40 -17.567 14.433 -6.675 1.00 0.00 O ATOM 565 CB ARG A 40 -17.296 16.275 -3.854 1.00 0.00 C ATOM 566 CG ARG A 40 -18.468 16.971 -4.527 1.00 0.00 C ATOM 567 CD ARG A 40 -18.584 18.429 -4.122 1.00 0.00 C ATOM 568 NE ARG A 40 -19.707 19.078 -4.796 1.00 0.00 N ATOM 569 CZ ARG A 40 -19.965 20.385 -4.760 1.00 0.00 C ATOM 570 NH1 ARG A 40 -19.178 21.213 -4.084 1.00 0.00 N ATOM 571 NH2 ARG A 40 -21.016 20.863 -5.419 1.00 0.00 N ATOM 0 H ARG A 40 -15.281 14.802 -3.279 1.00 0.00 H new ATOM 0 HA ARG A 40 -17.992 14.277 -4.204 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -17.465 16.248 -2.778 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -16.390 16.858 -4.020 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -18.354 16.905 -5.609 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -19.391 16.451 -4.272 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -18.715 18.500 -3.042 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -17.659 18.951 -4.366 1.00 0.00 H new ATOM 0 HE ARG A 40 -20.340 18.486 -5.334 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -18.366 20.851 -3.585 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -19.386 22.211 -4.064 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -21.618 20.231 -5.947 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -21.221 21.862 -5.397 1.00 0.00 H new ATOM 585 N LEU A 41 -15.598 15.397 -6.200 1.00 0.00 N ATOM 586 CA LEU A 41 -15.222 15.576 -7.594 1.00 0.00 C ATOM 587 C LEU A 41 -13.724 15.389 -7.765 1.00 0.00 C ATOM 588 O LEU A 41 -12.943 15.758 -6.886 1.00 0.00 O ATOM 589 CB LEU A 41 -15.633 16.973 -8.076 1.00 0.00 C ATOM 590 CG LEU A 41 -15.275 17.302 -9.528 1.00 0.00 C ATOM 591 CD1 LEU A 41 -16.032 16.399 -10.489 1.00 0.00 C ATOM 592 CD2 LEU A 41 -15.561 18.762 -9.828 1.00 0.00 C ATOM 0 H LEU A 41 -14.890 15.699 -5.530 1.00 0.00 H new ATOM 0 HA LEU A 41 -15.740 14.827 -8.193 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -16.711 17.078 -7.953 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -15.165 17.714 -7.428 1.00 0.00 H new ATOM 0 HG LEU A 41 -14.208 17.124 -9.665 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -15.762 16.651 -11.514 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -15.774 15.359 -10.291 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -17.104 16.539 -10.352 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -15.301 18.978 -10.864 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -16.620 18.965 -9.670 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -14.968 19.393 -9.166 1.00 0.00 H new ATOM 604 N VAL A 42 -13.336 14.805 -8.887 1.00 0.00 N ATOM 605 CA VAL A 42 -11.934 14.625 -9.222 1.00 0.00 C ATOM 606 C VAL A 42 -11.613 15.401 -10.491 1.00 0.00 C ATOM 607 O VAL A 42 -12.305 15.263 -11.499 1.00 0.00 O ATOM 608 CB VAL A 42 -11.583 13.135 -9.428 1.00 0.00 C ATOM 609 CG1 VAL A 42 -10.109 12.962 -9.763 1.00 0.00 C ATOM 610 CG2 VAL A 42 -11.944 12.325 -8.194 1.00 0.00 C ATOM 0 H VAL A 42 -13.982 14.444 -9.589 1.00 0.00 H new ATOM 0 HA VAL A 42 -11.338 14.999 -8.389 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.168 12.766 -10.270 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -9.889 11.904 -9.903 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.878 13.505 -10.680 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.502 13.354 -8.947 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -11.689 11.278 -8.359 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -11.389 12.703 -7.335 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -13.013 12.412 -8.002 1.00 0.00 H new ATOM 620 N GLU A 43 -10.581 16.227 -10.429 1.00 0.00 N ATOM 621 CA GLU A 43 -10.191 17.062 -11.546 1.00 0.00 C ATOM 622 C GLU A 43 -9.547 16.211 -12.638 1.00 0.00 C ATOM 623 O GLU A 43 -8.730 15.342 -12.352 1.00 0.00 O ATOM 624 CB GLU A 43 -9.221 18.138 -11.052 1.00 0.00 C ATOM 625 CG GLU A 43 -8.911 19.196 -12.087 1.00 0.00 C ATOM 626 CD GLU A 43 -8.194 20.396 -11.502 1.00 0.00 C ATOM 627 OE1 GLU A 43 -6.950 20.381 -11.438 1.00 0.00 O ATOM 628 OE2 GLU A 43 -8.880 21.358 -11.101 1.00 0.00 O ATOM 0 H GLU A 43 -9.993 16.335 -9.603 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.071 17.545 -11.970 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.643 18.618 -10.169 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.291 17.662 -10.742 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.296 18.759 -12.874 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.840 19.525 -12.553 1.00 0.00 H new ATOM 635 N PRO A 44 -9.924 16.449 -13.906 1.00 0.00 N ATOM 636 CA PRO A 44 -9.406 15.686 -15.053 1.00 0.00 C ATOM 637 C PRO A 44 -7.897 15.828 -15.212 1.00 0.00 C ATOM 638 O PRO A 44 -7.250 15.018 -15.875 1.00 0.00 O ATOM 639 CB PRO A 44 -10.126 16.308 -16.256 1.00 0.00 C ATOM 640 CG PRO A 44 -10.580 17.644 -15.782 1.00 0.00 C ATOM 641 CD PRO A 44 -10.892 17.472 -14.327 1.00 0.00 C ATOM 0 HA PRO A 44 -9.583 14.617 -14.938 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -9.458 16.399 -17.113 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -10.969 15.694 -16.573 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -9.805 18.396 -15.930 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.458 17.978 -16.334 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -10.764 18.402 -13.773 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.920 17.146 -14.169 1.00 0.00 H new ATOM 649 N GLY A 45 -7.348 16.869 -14.609 1.00 0.00 N ATOM 650 CA GLY A 45 -5.917 17.081 -14.644 1.00 0.00 C ATOM 651 C GLY A 45 -5.277 16.891 -13.284 1.00 0.00 C ATOM 652 O GLY A 45 -4.453 17.699 -12.857 1.00 0.00 O ATOM 0 H GLY A 45 -7.871 17.576 -14.092 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.466 16.389 -15.356 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.709 18.089 -15.004 1.00 0.00 H new ATOM 656 N SER A 46 -5.657 15.823 -12.601 1.00 0.00 N ATOM 657 CA SER A 46 -5.146 15.548 -11.269 1.00 0.00 C ATOM 658 C SER A 46 -4.407 14.214 -11.243 1.00 0.00 C ATOM 659 O SER A 46 -4.740 13.297 -11.991 1.00 0.00 O ATOM 660 CB SER A 46 -6.305 15.505 -10.275 1.00 0.00 C ATOM 661 OG SER A 46 -7.154 14.397 -10.524 1.00 0.00 O ATOM 0 H SER A 46 -6.320 15.131 -12.949 1.00 0.00 H new ATOM 0 HA SER A 46 -4.451 16.341 -10.992 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.914 15.446 -9.259 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.879 16.429 -10.342 1.00 0.00 H new ATOM 0 HG SER A 46 -7.644 14.542 -11.360 1.00 0.00 H new ATOM 667 N PRO A 47 -3.370 14.097 -10.402 1.00 0.00 N ATOM 668 CA PRO A 47 -2.690 12.822 -10.160 1.00 0.00 C ATOM 669 C PRO A 47 -3.589 11.836 -9.413 1.00 0.00 C ATOM 670 O PRO A 47 -3.302 10.640 -9.351 1.00 0.00 O ATOM 671 CB PRO A 47 -1.481 13.205 -9.295 1.00 0.00 C ATOM 672 CG PRO A 47 -1.361 14.689 -9.407 1.00 0.00 C ATOM 673 CD PRO A 47 -2.747 15.199 -9.655 1.00 0.00 C ATOM 0 HA PRO A 47 -2.413 12.324 -11.089 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.628 12.901 -8.259 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.575 12.711 -9.647 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.946 15.117 -8.494 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.692 14.966 -10.222 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.275 15.406 -8.724 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.741 16.125 -10.230 1.00 0.00 H new ATOM 681 N ALA A 48 -4.673 12.359 -8.843 1.00 0.00 N ATOM 682 CA ALA A 48 -5.638 11.554 -8.108 1.00 0.00 C ATOM 683 C ALA A 48 -6.293 10.504 -9.003 1.00 0.00 C ATOM 684 O ALA A 48 -6.315 9.319 -8.661 1.00 0.00 O ATOM 685 CB ALA A 48 -6.700 12.449 -7.484 1.00 0.00 C ATOM 0 H ALA A 48 -4.904 13.352 -8.879 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.101 11.029 -7.319 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.416 11.836 -6.937 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.226 13.152 -6.799 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.218 13.000 -8.269 1.00 0.00 H new ATOM 691 N GLU A 49 -6.808 10.934 -10.154 1.00 0.00 N ATOM 692 CA GLU A 49 -7.500 10.026 -11.064 1.00 0.00 C ATOM 693 C GLU A 49 -6.551 8.965 -11.623 1.00 0.00 C ATOM 694 O GLU A 49 -6.972 7.848 -11.927 1.00 0.00 O ATOM 695 CB GLU A 49 -8.226 10.802 -12.180 1.00 0.00 C ATOM 696 CG GLU A 49 -7.368 11.797 -12.948 1.00 0.00 C ATOM 697 CD GLU A 49 -6.752 11.209 -14.201 1.00 0.00 C ATOM 698 OE1 GLU A 49 -7.506 10.711 -15.060 1.00 0.00 O ATOM 699 OE2 GLU A 49 -5.515 11.247 -14.336 1.00 0.00 O ATOM 0 H GLU A 49 -6.759 11.901 -10.476 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.263 9.497 -10.493 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.641 10.084 -12.887 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.067 11.338 -11.739 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.977 12.659 -13.220 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.574 12.161 -12.297 1.00 0.00 H new ATOM 706 N LYS A 50 -5.265 9.301 -11.736 1.00 0.00 N ATOM 707 CA LYS A 50 -4.260 8.325 -12.153 1.00 0.00 C ATOM 708 C LYS A 50 -4.085 7.241 -11.097 1.00 0.00 C ATOM 709 O LYS A 50 -3.915 6.064 -11.418 1.00 0.00 O ATOM 710 CB LYS A 50 -2.904 8.986 -12.402 1.00 0.00 C ATOM 711 CG LYS A 50 -2.905 10.022 -13.510 1.00 0.00 C ATOM 712 CD LYS A 50 -1.489 10.351 -13.951 1.00 0.00 C ATOM 713 CE LYS A 50 -0.626 10.808 -12.788 1.00 0.00 C ATOM 714 NZ LYS A 50 0.801 10.933 -13.175 1.00 0.00 N ATOM 0 H LYS A 50 -4.898 10.234 -11.546 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.618 7.882 -13.082 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.570 9.460 -11.479 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.176 8.212 -12.645 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.477 9.650 -14.360 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.402 10.929 -13.164 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.039 9.472 -14.414 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.518 11.132 -14.711 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.989 11.769 -12.422 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.719 10.098 -11.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.394 10.927 -12.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.066 10.134 -13.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.944 11.825 -13.690 1.00 0.00 H new ATOM 728 N ALA A 51 -4.126 7.649 -9.832 1.00 0.00 N ATOM 729 CA ALA A 51 -3.920 6.731 -8.718 1.00 0.00 C ATOM 730 C ALA A 51 -5.083 5.750 -8.588 1.00 0.00 C ATOM 731 O ALA A 51 -4.928 4.645 -8.062 1.00 0.00 O ATOM 732 CB ALA A 51 -3.742 7.512 -7.424 1.00 0.00 C ATOM 0 H ALA A 51 -4.301 8.614 -9.553 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.016 6.155 -8.915 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.589 6.817 -6.598 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.876 8.169 -7.511 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -4.633 8.110 -7.235 1.00 0.00 H new ATOM 738 N GLY A 52 -6.246 6.161 -9.072 1.00 0.00 N ATOM 739 CA GLY A 52 -7.418 5.310 -9.010 1.00 0.00 C ATOM 740 C GLY A 52 -8.496 5.886 -8.119 1.00 0.00 C ATOM 741 O GLY A 52 -9.509 5.234 -7.856 1.00 0.00 O ATOM 0 H GLY A 52 -6.400 7.070 -9.508 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.816 5.169 -10.015 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.131 4.326 -8.640 1.00 0.00 H new ATOM 745 N LEU A 53 -8.270 7.107 -7.652 1.00 0.00 N ATOM 746 CA LEU A 53 -9.240 7.806 -6.825 1.00 0.00 C ATOM 747 C LEU A 53 -10.415 8.234 -7.695 1.00 0.00 C ATOM 748 O LEU A 53 -10.225 8.675 -8.831 1.00 0.00 O ATOM 749 CB LEU A 53 -8.566 9.009 -6.157 1.00 0.00 C ATOM 750 CG LEU A 53 -9.321 9.626 -4.982 1.00 0.00 C ATOM 751 CD1 LEU A 53 -8.364 9.907 -3.836 1.00 0.00 C ATOM 752 CD2 LEU A 53 -10.018 10.905 -5.408 1.00 0.00 C ATOM 0 H LEU A 53 -7.417 7.635 -7.835 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.615 7.152 -6.038 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.579 8.702 -5.810 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.413 9.781 -6.911 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.077 8.917 -4.645 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.913 10.347 -3.003 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.900 8.975 -3.513 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.592 10.601 -4.169 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -10.551 11.330 -4.557 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.278 11.620 -5.767 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.727 10.685 -6.206 1.00 0.00 H new ATOM 764 N LEU A 54 -11.625 8.106 -7.175 1.00 0.00 N ATOM 765 CA LEU A 54 -12.815 8.231 -8.005 1.00 0.00 C ATOM 766 C LEU A 54 -13.763 9.301 -7.487 1.00 0.00 C ATOM 767 O LEU A 54 -13.867 9.532 -6.285 1.00 0.00 O ATOM 768 CB LEU A 54 -13.539 6.887 -8.079 1.00 0.00 C ATOM 769 CG LEU A 54 -12.747 5.768 -8.760 1.00 0.00 C ATOM 770 CD1 LEU A 54 -13.505 4.453 -8.678 1.00 0.00 C ATOM 771 CD2 LEU A 54 -12.466 6.130 -10.212 1.00 0.00 C ATOM 0 H LEU A 54 -11.810 7.917 -6.190 1.00 0.00 H new ATOM 0 HA LEU A 54 -12.492 8.533 -9.001 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -13.792 6.570 -7.067 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -14.479 7.025 -8.614 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.796 5.649 -8.240 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -12.927 3.669 -9.167 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -13.663 4.189 -7.632 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -14.469 4.557 -9.176 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -11.902 5.326 -10.685 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.409 6.272 -10.741 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -11.886 7.052 -10.251 1.00 0.00 H new ATOM 783 N ALA A 55 -14.464 9.946 -8.412 1.00 0.00 N ATOM 784 CA ALA A 55 -15.406 11.000 -8.069 1.00 0.00 C ATOM 785 C ALA A 55 -16.641 10.419 -7.390 1.00 0.00 C ATOM 786 O ALA A 55 -17.679 10.212 -8.022 1.00 0.00 O ATOM 787 CB ALA A 55 -15.795 11.786 -9.313 1.00 0.00 C ATOM 0 H ALA A 55 -14.396 9.754 -9.411 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.923 11.680 -7.367 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.500 12.571 -9.041 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -14.904 12.234 -9.753 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -16.259 11.116 -10.036 1.00 0.00 H new ATOM 793 N GLY A 56 -16.515 10.144 -6.101 1.00 0.00 N ATOM 794 CA GLY A 56 -17.608 9.573 -5.349 1.00 0.00 C ATOM 795 C GLY A 56 -17.169 8.396 -4.501 1.00 0.00 C ATOM 796 O GLY A 56 -18.008 7.665 -3.969 1.00 0.00 O ATOM 0 H GLY A 56 -15.666 10.309 -5.560 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.043 10.339 -4.707 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.390 9.251 -6.036 1.00 0.00 H new ATOM 800 N ASP A 57 -15.857 8.205 -4.375 1.00 0.00 N ATOM 801 CA ASP A 57 -15.323 7.109 -3.578 1.00 0.00 C ATOM 802 C ASP A 57 -15.290 7.498 -2.103 1.00 0.00 C ATOM 803 O ASP A 57 -15.587 8.644 -1.746 1.00 0.00 O ATOM 804 CB ASP A 57 -13.924 6.693 -4.077 1.00 0.00 C ATOM 805 CG ASP A 57 -12.786 7.573 -3.601 1.00 0.00 C ATOM 806 OD1 ASP A 57 -12.483 7.566 -2.394 1.00 0.00 O ATOM 807 OD2 ASP A 57 -12.163 8.231 -4.458 1.00 0.00 O ATOM 0 H ASP A 57 -15.149 8.794 -4.814 1.00 0.00 H new ATOM 0 HA ASP A 57 -15.980 6.247 -3.690 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.730 5.669 -3.757 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.930 6.690 -5.167 1.00 0.00 H new ATOM 812 N ARG A 58 -14.962 6.539 -1.250 1.00 0.00 N ATOM 813 CA ARG A 58 -14.902 6.782 0.183 1.00 0.00 C ATOM 814 C ARG A 58 -13.460 6.690 0.674 1.00 0.00 C ATOM 815 O ARG A 58 -12.787 5.676 0.472 1.00 0.00 O ATOM 816 CB ARG A 58 -15.790 5.780 0.928 1.00 0.00 C ATOM 817 CG ARG A 58 -16.578 6.399 2.072 1.00 0.00 C ATOM 818 CD ARG A 58 -17.488 5.381 2.739 1.00 0.00 C ATOM 819 NE ARG A 58 -16.733 4.400 3.508 1.00 0.00 N ATOM 820 CZ ARG A 58 -17.078 3.123 3.643 1.00 0.00 C ATOM 821 NH1 ARG A 58 -18.198 2.663 3.097 1.00 0.00 N ATOM 822 NH2 ARG A 58 -16.307 2.316 4.350 1.00 0.00 N ATOM 0 H ARG A 58 -14.733 5.584 -1.526 1.00 0.00 H new ATOM 0 HA ARG A 58 -15.272 7.787 0.385 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -16.486 5.328 0.221 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.167 4.976 1.320 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -15.888 6.810 2.809 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -17.175 7.230 1.696 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -18.189 5.896 3.396 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -18.080 4.870 1.979 1.00 0.00 H new ATOM 0 HE ARG A 58 -15.882 4.714 3.974 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -18.803 3.291 2.568 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -18.453 1.682 3.207 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -15.457 2.675 4.785 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -16.562 1.334 4.460 1.00 0.00 H new ATOM 836 N LEU A 59 -13.005 7.754 1.325 1.00 0.00 N ATOM 837 CA LEU A 59 -11.630 7.856 1.797 1.00 0.00 C ATOM 838 C LEU A 59 -11.465 7.048 3.085 1.00 0.00 C ATOM 839 O LEU A 59 -11.894 7.474 4.155 1.00 0.00 O ATOM 840 CB LEU A 59 -11.287 9.335 2.037 1.00 0.00 C ATOM 841 CG LEU A 59 -9.815 9.732 1.860 1.00 0.00 C ATOM 842 CD1 LEU A 59 -8.930 9.081 2.909 1.00 0.00 C ATOM 843 CD2 LEU A 59 -9.332 9.379 0.460 1.00 0.00 C ATOM 0 H LEU A 59 -13.579 8.570 1.540 1.00 0.00 H new ATOM 0 HA LEU A 59 -10.949 7.452 1.048 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -11.888 9.940 1.358 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -11.592 9.596 3.050 1.00 0.00 H new ATOM 0 HG LEU A 59 -9.745 10.812 1.994 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.895 9.385 2.752 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -9.253 9.393 3.902 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.006 7.997 2.827 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.286 9.668 0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -9.430 8.305 0.301 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.933 9.911 -0.277 1.00 0.00 H new ATOM 855 N VAL A 60 -10.831 5.891 2.970 1.00 0.00 N ATOM 856 CA VAL A 60 -10.719 4.959 4.084 1.00 0.00 C ATOM 857 C VAL A 60 -9.483 5.237 4.939 1.00 0.00 C ATOM 858 O VAL A 60 -9.580 5.380 6.161 1.00 0.00 O ATOM 859 CB VAL A 60 -10.666 3.500 3.585 1.00 0.00 C ATOM 860 CG1 VAL A 60 -10.553 2.535 4.755 1.00 0.00 C ATOM 861 CG2 VAL A 60 -11.885 3.173 2.736 1.00 0.00 C ATOM 0 H VAL A 60 -10.383 5.573 2.111 1.00 0.00 H new ATOM 0 HA VAL A 60 -11.608 5.103 4.698 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.779 3.388 2.962 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.517 1.512 4.381 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.643 2.748 5.316 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.418 2.652 5.408 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -11.825 2.139 2.396 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -12.789 3.308 3.330 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -11.916 3.838 1.873 1.00 0.00 H new ATOM 871 N GLU A 61 -8.320 5.320 4.307 1.00 0.00 N ATOM 872 CA GLU A 61 -7.075 5.483 5.050 1.00 0.00 C ATOM 873 C GLU A 61 -6.200 6.571 4.456 1.00 0.00 C ATOM 874 O GLU A 61 -6.271 6.863 3.260 1.00 0.00 O ATOM 875 CB GLU A 61 -6.248 4.201 5.045 1.00 0.00 C ATOM 876 CG GLU A 61 -6.969 2.957 5.520 1.00 0.00 C ATOM 877 CD GLU A 61 -6.044 1.760 5.538 1.00 0.00 C ATOM 878 OE1 GLU A 61 -5.077 1.740 4.737 1.00 0.00 O ATOM 879 OE2 GLU A 61 -6.263 0.853 6.365 1.00 0.00 O ATOM 0 H GLU A 61 -8.211 5.278 3.294 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.373 5.747 6.065 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.888 4.026 4.031 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -5.370 4.353 5.673 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.369 3.125 6.520 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.818 2.754 4.867 1.00 0.00 H new ATOM 886 N VAL A 62 -5.360 7.143 5.306 1.00 0.00 N ATOM 887 CA VAL A 62 -4.317 8.058 4.872 1.00 0.00 C ATOM 888 C VAL A 62 -2.978 7.606 5.446 1.00 0.00 C ATOM 889 O VAL A 62 -2.784 7.612 6.663 1.00 0.00 O ATOM 890 CB VAL A 62 -4.589 9.513 5.310 1.00 0.00 C ATOM 891 CG1 VAL A 62 -3.480 10.432 4.822 1.00 0.00 C ATOM 892 CG2 VAL A 62 -5.939 9.993 4.800 1.00 0.00 C ATOM 0 H VAL A 62 -5.383 6.986 6.314 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.299 8.039 3.782 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.610 9.539 6.399 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.688 11.454 5.140 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.528 10.108 5.242 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.428 10.394 3.734 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.105 11.021 5.123 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.954 9.948 3.711 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.727 9.355 5.200 1.00 0.00 H new ATOM 902 N ASN A 63 -2.085 7.173 4.563 1.00 0.00 N ATOM 903 CA ASN A 63 -0.735 6.737 4.942 1.00 0.00 C ATOM 904 C ASN A 63 -0.748 5.489 5.827 1.00 0.00 C ATOM 905 O ASN A 63 0.250 5.173 6.475 1.00 0.00 O ATOM 906 CB ASN A 63 0.041 7.863 5.638 1.00 0.00 C ATOM 907 CG ASN A 63 0.555 8.906 4.665 1.00 0.00 C ATOM 908 OD1 ASN A 63 -0.124 9.885 4.370 1.00 0.00 O ATOM 909 ND2 ASN A 63 1.769 8.710 4.170 1.00 0.00 N ATOM 0 H ASN A 63 -2.271 7.112 3.562 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.228 6.479 4.012 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.605 8.344 6.372 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.882 7.436 6.184 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.170 9.386 3.520 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.302 7.883 4.440 1.00 0.00 H new ATOM 916 N GLY A 64 -1.869 4.781 5.855 1.00 0.00 N ATOM 917 CA GLY A 64 -1.918 3.515 6.567 1.00 0.00 C ATOM 918 C GLY A 64 -2.913 3.501 7.710 1.00 0.00 C ATOM 919 O GLY A 64 -3.441 2.447 8.064 1.00 0.00 O ATOM 0 H GLY A 64 -2.740 5.056 5.402 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.173 2.722 5.864 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.926 3.288 6.957 1.00 0.00 H new ATOM 923 N GLU A 65 -3.175 4.658 8.296 1.00 0.00 N ATOM 924 CA GLU A 65 -4.102 4.728 9.411 1.00 0.00 C ATOM 925 C GLU A 65 -5.498 5.069 8.908 1.00 0.00 C ATOM 926 O GLU A 65 -5.663 5.873 7.986 1.00 0.00 O ATOM 927 CB GLU A 65 -3.630 5.739 10.464 1.00 0.00 C ATOM 928 CG GLU A 65 -3.451 7.154 9.946 1.00 0.00 C ATOM 929 CD GLU A 65 -2.939 8.097 11.018 1.00 0.00 C ATOM 930 OE1 GLU A 65 -3.766 8.654 11.768 1.00 0.00 O ATOM 931 OE2 GLU A 65 -1.710 8.286 11.113 1.00 0.00 O ATOM 0 H GLU A 65 -2.764 5.551 8.022 1.00 0.00 H new ATOM 0 HA GLU A 65 -4.136 3.751 9.893 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.350 5.754 11.282 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.682 5.396 10.879 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.754 7.147 9.108 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.403 7.523 9.565 1.00 0.00 H new ATOM 938 N ASN A 66 -6.494 4.425 9.501 1.00 0.00 N ATOM 939 CA ASN A 66 -7.880 4.605 9.096 1.00 0.00 C ATOM 940 C ASN A 66 -8.384 5.975 9.512 1.00 0.00 C ATOM 941 O ASN A 66 -8.285 6.360 10.678 1.00 0.00 O ATOM 942 CB ASN A 66 -8.767 3.516 9.705 1.00 0.00 C ATOM 943 CG ASN A 66 -10.225 3.680 9.318 1.00 0.00 C ATOM 944 OD1 ASN A 66 -10.992 4.348 10.008 1.00 0.00 O ATOM 945 ND2 ASN A 66 -10.617 3.073 8.212 1.00 0.00 N ATOM 0 H ASN A 66 -6.365 3.768 10.271 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.927 4.528 8.010 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.414 2.538 9.378 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.676 3.541 10.791 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -11.586 3.150 7.904 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -9.950 2.527 7.666 1.00 0.00 H new ATOM 952 N VAL A 67 -8.922 6.709 8.556 1.00 0.00 N ATOM 953 CA VAL A 67 -9.391 8.061 8.809 1.00 0.00 C ATOM 954 C VAL A 67 -10.913 8.139 8.758 1.00 0.00 C ATOM 955 O VAL A 67 -11.494 9.218 8.830 1.00 0.00 O ATOM 956 CB VAL A 67 -8.778 9.052 7.803 1.00 0.00 C ATOM 957 CG1 VAL A 67 -7.269 9.112 7.979 1.00 0.00 C ATOM 958 CG2 VAL A 67 -9.139 8.657 6.380 1.00 0.00 C ATOM 0 H VAL A 67 -9.046 6.392 7.594 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.068 8.336 9.813 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.188 10.044 7.994 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.847 9.816 7.262 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.034 9.440 8.991 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.843 8.123 7.810 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.698 9.368 5.682 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.756 7.658 6.171 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.223 8.661 6.265 1.00 0.00 H new ATOM 968 N GLU A 68 -11.553 6.984 8.673 1.00 0.00 N ATOM 969 CA GLU A 68 -13.007 6.914 8.612 1.00 0.00 C ATOM 970 C GLU A 68 -13.626 7.199 9.974 1.00 0.00 C ATOM 971 O GLU A 68 -14.830 7.411 10.088 1.00 0.00 O ATOM 972 CB GLU A 68 -13.444 5.540 8.119 1.00 0.00 C ATOM 973 CG GLU A 68 -13.090 5.280 6.668 1.00 0.00 C ATOM 974 CD GLU A 68 -14.316 5.145 5.791 1.00 0.00 C ATOM 975 OE1 GLU A 68 -14.964 6.170 5.488 1.00 0.00 O ATOM 976 OE2 GLU A 68 -14.631 4.002 5.399 1.00 0.00 O ATOM 0 H GLU A 68 -11.087 6.077 8.644 1.00 0.00 H new ATOM 0 HA GLU A 68 -13.355 7.675 7.913 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.980 4.775 8.741 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -14.522 5.443 8.245 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.469 6.095 6.297 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.495 4.369 6.599 1.00 0.00 H new ATOM 983 N LYS A 69 -12.798 7.188 11.009 1.00 0.00 N ATOM 984 CA LYS A 69 -13.263 7.469 12.361 1.00 0.00 C ATOM 985 C LYS A 69 -12.824 8.869 12.791 1.00 0.00 C ATOM 986 O LYS A 69 -13.009 9.268 13.943 1.00 0.00 O ATOM 987 CB LYS A 69 -12.700 6.446 13.349 1.00 0.00 C ATOM 988 CG LYS A 69 -12.737 5.006 12.857 1.00 0.00 C ATOM 989 CD LYS A 69 -14.143 4.434 12.875 1.00 0.00 C ATOM 990 CE LYS A 69 -14.138 2.969 12.478 1.00 0.00 C ATOM 991 NZ LYS A 69 -15.446 2.311 12.747 1.00 0.00 N ATOM 0 H LYS A 69 -11.800 6.988 10.939 1.00 0.00 H new ATOM 0 HA LYS A 69 -14.351 7.409 12.362 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -11.668 6.712 13.579 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -13.261 6.513 14.281 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -12.340 4.959 11.843 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -12.088 4.393 13.482 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -14.571 4.543 13.871 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -14.778 4.998 12.191 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.900 2.882 11.418 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -13.352 2.448 13.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -15.398 1.312 12.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -15.662 2.370 13.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -16.194 2.790 12.206 1.00 0.00 H new ATOM 1005 N GLU A 70 -12.222 9.600 11.864 1.00 0.00 N ATOM 1006 CA GLU A 70 -11.686 10.916 12.150 1.00 0.00 C ATOM 1007 C GLU A 70 -12.674 12.016 11.808 1.00 0.00 C ATOM 1008 O GLU A 70 -13.721 11.769 11.213 1.00 0.00 O ATOM 1009 CB GLU A 70 -10.412 11.115 11.350 1.00 0.00 C ATOM 1010 CG GLU A 70 -9.328 10.133 11.724 1.00 0.00 C ATOM 1011 CD GLU A 70 -8.887 10.309 13.159 1.00 0.00 C ATOM 1012 OE1 GLU A 70 -8.402 11.412 13.500 1.00 0.00 O ATOM 1013 OE2 GLU A 70 -9.027 9.361 13.956 1.00 0.00 O ATOM 0 H GLU A 70 -12.093 9.297 10.899 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.482 10.974 13.219 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -10.636 11.015 10.288 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.046 12.130 11.505 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.691 9.116 11.577 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.473 10.265 11.061 1.00 0.00 H new ATOM 1020 N THR A 71 -12.334 13.232 12.202 1.00 0.00 N ATOM 1021 CA THR A 71 -13.124 14.394 11.845 1.00 0.00 C ATOM 1022 C THR A 71 -12.778 14.820 10.425 1.00 0.00 C ATOM 1023 O THR A 71 -11.775 14.361 9.873 1.00 0.00 O ATOM 1024 CB THR A 71 -12.868 15.573 12.808 1.00 0.00 C ATOM 1025 OG1 THR A 71 -11.533 16.066 12.637 1.00 0.00 O ATOM 1026 CG2 THR A 71 -13.053 15.140 14.253 1.00 0.00 C ATOM 0 H THR A 71 -11.513 13.438 12.771 1.00 0.00 H new ATOM 0 HA THR A 71 -14.177 14.122 11.915 1.00 0.00 H new ATOM 0 HB THR A 71 -13.586 16.359 12.576 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.325 16.703 13.352 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.867 15.987 14.913 1.00 0.00 H new ATOM 0 HG22 THR A 71 -14.073 14.783 14.398 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.352 14.339 14.485 1.00 0.00 H new ATOM 1034 N HIS A 72 -13.573 15.698 9.839 1.00 0.00 N ATOM 1035 CA HIS A 72 -13.341 16.114 8.460 1.00 0.00 C ATOM 1036 C HIS A 72 -11.953 16.733 8.307 1.00 0.00 C ATOM 1037 O HIS A 72 -11.212 16.393 7.381 1.00 0.00 O ATOM 1038 CB HIS A 72 -14.419 17.103 8.013 1.00 0.00 C ATOM 1039 CG HIS A 72 -14.211 17.634 6.629 1.00 0.00 C ATOM 1040 ND1 HIS A 72 -14.171 16.827 5.510 1.00 0.00 N ATOM 1041 CD2 HIS A 72 -14.012 18.897 6.185 1.00 0.00 C ATOM 1042 CE1 HIS A 72 -13.956 17.574 4.443 1.00 0.00 C ATOM 1043 NE2 HIS A 72 -13.856 18.829 4.825 1.00 0.00 N ATOM 0 H HIS A 72 -14.378 16.135 10.288 1.00 0.00 H new ATOM 0 HA HIS A 72 -13.393 15.231 7.823 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -15.392 16.614 8.063 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -14.446 17.938 8.713 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -13.982 19.791 6.790 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -13.876 17.215 3.427 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -13.689 19.624 4.208 1.00 0.00 H new ATOM 1052 N GLN A 73 -11.599 17.624 9.226 1.00 0.00 N ATOM 1053 CA GLN A 73 -10.314 18.300 9.185 1.00 0.00 C ATOM 1054 C GLN A 73 -9.163 17.321 9.412 1.00 0.00 C ATOM 1055 O GLN A 73 -8.104 17.459 8.806 1.00 0.00 O ATOM 1056 CB GLN A 73 -10.277 19.419 10.225 1.00 0.00 C ATOM 1057 CG GLN A 73 -10.361 18.937 11.663 1.00 0.00 C ATOM 1058 CD GLN A 73 -10.297 20.072 12.660 1.00 0.00 C ATOM 1059 OE1 GLN A 73 -10.732 21.188 12.378 1.00 0.00 O ATOM 1060 NE2 GLN A 73 -9.747 19.798 13.830 1.00 0.00 N ATOM 0 H GLN A 73 -12.190 17.894 10.012 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.190 18.733 8.192 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -9.356 19.988 10.098 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.103 20.104 10.035 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -11.291 18.386 11.804 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -9.545 18.241 11.857 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -9.399 18.859 14.022 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.671 20.526 14.541 1.00 0.00 H new ATOM 1069 N GLN A 74 -9.385 16.330 10.275 1.00 0.00 N ATOM 1070 CA GLN A 74 -8.369 15.327 10.583 1.00 0.00 C ATOM 1071 C GLN A 74 -7.967 14.553 9.338 1.00 0.00 C ATOM 1072 O GLN A 74 -6.781 14.342 9.081 1.00 0.00 O ATOM 1073 CB GLN A 74 -8.891 14.360 11.646 1.00 0.00 C ATOM 1074 CG GLN A 74 -8.754 14.883 13.062 1.00 0.00 C ATOM 1075 CD GLN A 74 -7.327 14.829 13.556 1.00 0.00 C ATOM 1076 OE1 GLN A 74 -6.557 15.773 13.381 1.00 0.00 O ATOM 1077 NE2 GLN A 74 -6.970 13.720 14.173 1.00 0.00 N ATOM 0 H GLN A 74 -10.265 16.201 10.775 1.00 0.00 H new ATOM 0 HA GLN A 74 -7.489 15.845 10.964 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -9.941 14.146 11.447 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -8.352 13.416 11.563 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -9.112 15.912 13.104 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -9.389 14.297 13.727 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -7.644 12.964 14.294 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -6.020 13.618 14.529 1.00 0.00 H new ATOM 1086 N VAL A 75 -8.960 14.132 8.572 1.00 0.00 N ATOM 1087 CA VAL A 75 -8.722 13.376 7.354 1.00 0.00 C ATOM 1088 C VAL A 75 -7.932 14.214 6.353 1.00 0.00 C ATOM 1089 O VAL A 75 -6.891 13.790 5.849 1.00 0.00 O ATOM 1090 CB VAL A 75 -10.051 12.930 6.713 1.00 0.00 C ATOM 1091 CG1 VAL A 75 -9.802 12.004 5.541 1.00 0.00 C ATOM 1092 CG2 VAL A 75 -10.944 12.260 7.743 1.00 0.00 C ATOM 0 H VAL A 75 -9.945 14.303 8.774 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.145 12.490 7.619 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.562 13.818 6.341 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -10.755 11.703 5.106 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.207 12.521 4.789 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -9.265 11.120 5.884 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -11.877 11.953 7.271 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -10.437 11.385 8.149 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -11.159 12.961 8.549 1.00 0.00 H new ATOM 1102 N VAL A 76 -8.422 15.420 6.109 1.00 0.00 N ATOM 1103 CA VAL A 76 -7.817 16.330 5.145 1.00 0.00 C ATOM 1104 C VAL A 76 -6.402 16.734 5.563 1.00 0.00 C ATOM 1105 O VAL A 76 -5.492 16.780 4.735 1.00 0.00 O ATOM 1106 CB VAL A 76 -8.679 17.599 4.974 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -8.053 18.556 3.968 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -10.092 17.228 4.552 1.00 0.00 C ATOM 0 H VAL A 76 -9.249 15.796 6.572 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.761 15.798 4.195 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.726 18.108 5.937 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.682 19.441 3.868 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.063 18.852 4.315 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.966 18.061 3.001 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -10.687 18.134 4.436 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -10.059 16.691 3.604 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.544 16.592 5.313 1.00 0.00 H new ATOM 1118 N SER A 77 -6.221 17.010 6.850 1.00 0.00 N ATOM 1119 CA SER A 77 -4.943 17.488 7.358 1.00 0.00 C ATOM 1120 C SER A 77 -3.838 16.464 7.104 1.00 0.00 C ATOM 1121 O SER A 77 -2.740 16.824 6.680 1.00 0.00 O ATOM 1122 CB SER A 77 -5.050 17.808 8.853 1.00 0.00 C ATOM 1123 OG SER A 77 -3.995 18.655 9.272 1.00 0.00 O ATOM 0 H SER A 77 -6.946 16.910 7.561 1.00 0.00 H new ATOM 0 HA SER A 77 -4.683 18.403 6.825 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.008 18.287 9.057 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.027 16.882 9.428 1.00 0.00 H new ATOM 0 HG SER A 77 -4.088 18.845 10.229 1.00 0.00 H new ATOM 1129 N ARG A 78 -4.143 15.189 7.337 1.00 0.00 N ATOM 1130 CA ARG A 78 -3.192 14.111 7.092 1.00 0.00 C ATOM 1131 C ARG A 78 -2.758 14.075 5.627 1.00 0.00 C ATOM 1132 O ARG A 78 -1.574 13.926 5.326 1.00 0.00 O ATOM 1133 CB ARG A 78 -3.813 12.770 7.470 1.00 0.00 C ATOM 1134 CG ARG A 78 -4.072 12.602 8.954 1.00 0.00 C ATOM 1135 CD ARG A 78 -4.736 11.266 9.226 1.00 0.00 C ATOM 1136 NE ARG A 78 -4.756 10.919 10.644 1.00 0.00 N ATOM 1137 CZ ARG A 78 -5.733 11.242 11.483 1.00 0.00 C ATOM 1138 NH1 ARG A 78 -6.722 12.030 11.094 1.00 0.00 N ATOM 1139 NH2 ARG A 78 -5.717 10.788 12.727 1.00 0.00 N ATOM 0 H ARG A 78 -5.045 14.878 7.697 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.312 14.296 7.708 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.754 12.654 6.933 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.154 11.969 7.135 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.133 12.667 9.503 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.708 13.411 9.313 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.758 11.291 8.849 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.211 10.486 8.674 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.965 10.392 11.016 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.739 12.395 10.142 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.468 12.272 11.746 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.953 10.189 13.042 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.468 11.037 13.370 1.00 0.00 H new ATOM 1153 N ILE A 79 -3.722 14.226 4.726 1.00 0.00 N ATOM 1154 CA ILE A 79 -3.457 14.167 3.292 1.00 0.00 C ATOM 1155 C ILE A 79 -2.546 15.320 2.856 1.00 0.00 C ATOM 1156 O ILE A 79 -1.707 15.165 1.967 1.00 0.00 O ATOM 1157 CB ILE A 79 -4.774 14.208 2.481 1.00 0.00 C ATOM 1158 CG1 ILE A 79 -5.729 13.113 2.971 1.00 0.00 C ATOM 1159 CG2 ILE A 79 -4.494 14.037 0.994 1.00 0.00 C ATOM 1160 CD1 ILE A 79 -7.070 13.109 2.268 1.00 0.00 C ATOM 0 H ILE A 79 -4.700 14.391 4.965 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.951 13.222 3.091 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.244 15.180 2.632 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.254 12.142 2.832 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.891 13.238 4.042 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.433 14.069 0.441 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.844 14.842 0.651 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.005 13.078 0.824 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.689 12.307 2.670 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.567 14.066 2.428 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.920 12.952 1.200 1.00 0.00 H new ATOM 1172 N ARG A 80 -2.699 16.466 3.509 1.00 0.00 N ATOM 1173 CA ARG A 80 -1.894 17.647 3.201 1.00 0.00 C ATOM 1174 C ARG A 80 -0.448 17.465 3.655 1.00 0.00 C ATOM 1175 O ARG A 80 0.467 18.081 3.109 1.00 0.00 O ATOM 1176 CB ARG A 80 -2.470 18.884 3.887 1.00 0.00 C ATOM 1177 CG ARG A 80 -3.890 19.224 3.476 1.00 0.00 C ATOM 1178 CD ARG A 80 -4.384 20.463 4.204 1.00 0.00 C ATOM 1179 NE ARG A 80 -4.265 20.323 5.657 1.00 0.00 N ATOM 1180 CZ ARG A 80 -4.301 21.346 6.513 1.00 0.00 C ATOM 1181 NH1 ARG A 80 -4.458 22.589 6.064 1.00 0.00 N ATOM 1182 NH2 ARG A 80 -4.165 21.125 7.817 1.00 0.00 N ATOM 0 H ARG A 80 -3.376 16.605 4.259 1.00 0.00 H new ATOM 0 HA ARG A 80 -1.916 17.779 2.119 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -2.444 18.732 4.966 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -1.828 19.737 3.670 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -3.931 19.389 2.399 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -4.547 18.383 3.695 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -3.812 21.331 3.874 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -5.425 20.649 3.941 1.00 0.00 H new ATOM 0 HE ARG A 80 -4.147 19.384 6.039 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -4.551 22.762 5.063 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -4.485 23.369 6.721 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -4.033 20.174 8.162 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -4.192 21.906 8.472 1.00 0.00 H new ATOM 1196 N ALA A 81 -0.254 16.617 4.656 1.00 0.00 N ATOM 1197 CA ALA A 81 1.052 16.446 5.286 1.00 0.00 C ATOM 1198 C ALA A 81 2.042 15.719 4.377 1.00 0.00 C ATOM 1199 O ALA A 81 3.238 15.666 4.673 1.00 0.00 O ATOM 1200 CB ALA A 81 0.905 15.700 6.602 1.00 0.00 C ATOM 0 H ALA A 81 -0.989 16.032 5.053 1.00 0.00 H new ATOM 0 HA ALA A 81 1.454 17.441 5.474 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.885 15.578 7.063 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.257 16.267 7.271 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.467 14.719 6.417 1.00 0.00 H new ATOM 1206 N ALA A 82 1.547 15.149 3.287 1.00 0.00 N ATOM 1207 CA ALA A 82 2.402 14.433 2.350 1.00 0.00 C ATOM 1208 C ALA A 82 3.298 15.401 1.581 1.00 0.00 C ATOM 1209 O ALA A 82 2.816 16.313 0.905 1.00 0.00 O ATOM 1210 CB ALA A 82 1.564 13.602 1.397 1.00 0.00 C ATOM 0 H ALA A 82 0.560 15.168 3.030 1.00 0.00 H new ATOM 0 HA ALA A 82 3.045 13.761 2.918 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.218 13.073 0.704 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.977 12.880 1.964 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.894 14.255 0.838 1.00 0.00 H new ATOM 1216 N LEU A 83 4.606 15.195 1.708 1.00 0.00 N ATOM 1217 CA LEU A 83 5.598 16.048 1.056 1.00 0.00 C ATOM 1218 C LEU A 83 5.568 15.888 -0.463 1.00 0.00 C ATOM 1219 O LEU A 83 5.990 16.785 -1.196 1.00 0.00 O ATOM 1220 CB LEU A 83 7.010 15.761 1.585 1.00 0.00 C ATOM 1221 CG LEU A 83 7.657 14.451 1.124 1.00 0.00 C ATOM 1222 CD1 LEU A 83 9.129 14.442 1.491 1.00 0.00 C ATOM 1223 CD2 LEU A 83 6.958 13.249 1.739 1.00 0.00 C ATOM 0 H LEU A 83 5.007 14.438 2.261 1.00 0.00 H new ATOM 0 HA LEU A 83 5.337 17.079 1.296 1.00 0.00 H new ATOM 0 HB2 LEU A 83 7.659 16.585 1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.973 15.759 2.674 1.00 0.00 H new ATOM 0 HG LEU A 83 7.556 14.384 0.041 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.581 13.507 1.160 1.00 0.00 H new ATOM 0 HD12 LEU A 83 9.630 15.279 1.006 1.00 0.00 H new ATOM 0 HD13 LEU A 83 9.235 14.533 2.572 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.438 12.333 1.394 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.024 13.306 2.825 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.910 13.244 1.439 1.00 0.00 H new ATOM 1235 N ASN A 84 5.081 14.747 -0.929 1.00 0.00 N ATOM 1236 CA ASN A 84 4.928 14.506 -2.360 1.00 0.00 C ATOM 1237 C ASN A 84 3.894 13.419 -2.601 1.00 0.00 C ATOM 1238 O ASN A 84 2.846 13.674 -3.180 1.00 0.00 O ATOM 1239 CB ASN A 84 6.263 14.114 -3.008 1.00 0.00 C ATOM 1240 CG ASN A 84 6.180 14.007 -4.529 1.00 0.00 C ATOM 1241 OD1 ASN A 84 5.133 13.701 -5.100 1.00 0.00 O ATOM 1242 ND2 ASN A 84 7.287 14.267 -5.200 1.00 0.00 N ATOM 0 H ASN A 84 4.784 13.971 -0.337 1.00 0.00 H new ATOM 0 HA ASN A 84 4.589 15.434 -2.821 1.00 0.00 H new ATOM 0 HB2 ASN A 84 7.020 14.852 -2.742 1.00 0.00 H new ATOM 0 HB3 ASN A 84 6.592 13.158 -2.600 1.00 0.00 H new ATOM 0 HD21 ASN A 84 7.290 14.217 -6.219 1.00 0.00 H new ATOM 0 HD22 ASN A 84 8.140 14.518 -4.700 1.00 0.00 H new ATOM 1249 N ALA A 85 4.169 12.219 -2.120 1.00 0.00 N ATOM 1250 CA ALA A 85 3.297 11.093 -2.394 1.00 0.00 C ATOM 1251 C ALA A 85 2.603 10.636 -1.126 1.00 0.00 C ATOM 1252 O ALA A 85 3.193 10.636 -0.043 1.00 0.00 O ATOM 1253 CB ALA A 85 4.083 9.949 -3.018 1.00 0.00 C ATOM 0 H ALA A 85 4.982 12.001 -1.543 1.00 0.00 H new ATOM 0 HA ALA A 85 2.535 11.413 -3.105 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.413 9.113 -3.217 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.533 10.284 -3.953 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.868 9.630 -2.332 1.00 0.00 H new ATOM 1259 N VAL A 86 1.340 10.276 -1.263 1.00 0.00 N ATOM 1260 CA VAL A 86 0.531 9.863 -0.131 1.00 0.00 C ATOM 1261 C VAL A 86 -0.274 8.612 -0.473 1.00 0.00 C ATOM 1262 O VAL A 86 -0.778 8.471 -1.588 1.00 0.00 O ATOM 1263 CB VAL A 86 -0.420 11.006 0.305 1.00 0.00 C ATOM 1264 CG1 VAL A 86 -1.345 11.415 -0.829 1.00 0.00 C ATOM 1265 CG2 VAL A 86 -1.224 10.615 1.534 1.00 0.00 C ATOM 0 H VAL A 86 0.848 10.262 -2.157 1.00 0.00 H new ATOM 0 HA VAL A 86 1.200 9.631 0.697 1.00 0.00 H new ATOM 0 HB VAL A 86 0.200 11.864 0.564 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.000 12.219 -0.492 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.752 11.761 -1.676 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.948 10.559 -1.134 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.882 11.437 1.815 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.822 9.732 1.311 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.545 10.395 2.358 1.00 0.00 H new ATOM 1275 N ARG A 87 -0.374 7.696 0.481 1.00 0.00 N ATOM 1276 CA ARG A 87 -1.190 6.507 0.301 1.00 0.00 C ATOM 1277 C ARG A 87 -2.605 6.779 0.777 1.00 0.00 C ATOM 1278 O ARG A 87 -2.853 6.982 1.967 1.00 0.00 O ATOM 1279 CB ARG A 87 -0.592 5.299 1.043 1.00 0.00 C ATOM 1280 CG ARG A 87 -1.628 4.339 1.618 1.00 0.00 C ATOM 1281 CD ARG A 87 -0.985 3.237 2.448 1.00 0.00 C ATOM 1282 NE ARG A 87 -1.981 2.425 3.153 1.00 0.00 N ATOM 1283 CZ ARG A 87 -1.691 1.323 3.850 1.00 0.00 C ATOM 1284 NH1 ARG A 87 -0.440 0.878 3.909 1.00 0.00 N ATOM 1285 NH2 ARG A 87 -2.654 0.669 4.490 1.00 0.00 N ATOM 0 H ARG A 87 0.098 7.755 1.383 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.210 6.262 -0.761 1.00 0.00 H new ATOM 0 HB2 ARG A 87 0.054 4.750 0.358 1.00 0.00 H new ATOM 0 HB3 ARG A 87 0.039 5.662 1.854 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.333 4.894 2.237 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -2.200 3.893 0.804 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.389 2.596 1.799 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.302 3.681 3.172 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.956 2.720 3.109 1.00 0.00 H new ATOM 0 HH11 ARG A 87 0.303 1.378 3.421 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -0.223 0.036 4.442 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -3.615 1.008 4.449 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.432 -0.172 5.022 1.00 0.00 H new ATOM 1299 N LEU A 88 -3.517 6.809 -0.166 1.00 0.00 N ATOM 1300 CA LEU A 88 -4.920 6.953 0.140 1.00 0.00 C ATOM 1301 C LEU A 88 -5.624 5.661 -0.208 1.00 0.00 C ATOM 1302 O LEU A 88 -5.525 5.185 -1.337 1.00 0.00 O ATOM 1303 CB LEU A 88 -5.549 8.113 -0.639 1.00 0.00 C ATOM 1304 CG LEU A 88 -4.923 9.490 -0.402 1.00 0.00 C ATOM 1305 CD1 LEU A 88 -5.754 10.572 -1.070 1.00 0.00 C ATOM 1306 CD2 LEU A 88 -4.781 9.774 1.086 1.00 0.00 C ATOM 0 H LEU A 88 -3.309 6.735 -1.162 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.027 7.173 1.202 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.490 7.886 -1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.607 8.167 -0.383 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.927 9.490 -0.845 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.296 11.545 -0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -5.802 10.384 -2.143 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.762 10.565 -0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.334 10.758 1.228 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.764 9.751 1.556 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.143 9.017 1.542 1.00 0.00 H new ATOM 1318 N LEU A 89 -6.292 5.069 0.756 1.00 0.00 N ATOM 1319 CA LEU A 89 -7.068 3.882 0.479 1.00 0.00 C ATOM 1320 C LEU A 89 -8.498 4.291 0.222 1.00 0.00 C ATOM 1321 O LEU A 89 -9.120 4.947 1.056 1.00 0.00 O ATOM 1322 CB LEU A 89 -7.003 2.870 1.621 1.00 0.00 C ATOM 1323 CG LEU A 89 -7.746 1.561 1.340 1.00 0.00 C ATOM 1324 CD1 LEU A 89 -7.119 0.832 0.162 1.00 0.00 C ATOM 1325 CD2 LEU A 89 -7.759 0.673 2.566 1.00 0.00 C ATOM 0 H LEU A 89 -6.314 5.384 1.726 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.648 3.391 -0.399 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.958 2.644 1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.419 3.325 2.520 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.777 1.806 1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.661 -0.096 -0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -7.169 1.463 -0.725 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.077 0.605 0.387 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.293 -0.250 2.341 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.735 0.439 2.856 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -8.259 1.190 3.385 1.00 0.00 H new ATOM 1337 N VAL A 90 -9.007 3.911 -0.928 1.00 0.00 N ATOM 1338 CA VAL A 90 -10.328 4.335 -1.343 1.00 0.00 C ATOM 1339 C VAL A 90 -11.162 3.133 -1.746 1.00 0.00 C ATOM 1340 O VAL A 90 -10.625 2.104 -2.171 1.00 0.00 O ATOM 1341 CB VAL A 90 -10.266 5.338 -2.520 1.00 0.00 C ATOM 1342 CG1 VAL A 90 -9.498 6.590 -2.128 1.00 0.00 C ATOM 1343 CG2 VAL A 90 -9.648 4.702 -3.758 1.00 0.00 C ATOM 0 H VAL A 90 -8.526 3.308 -1.595 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.791 4.837 -0.493 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.290 5.623 -2.762 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.469 7.278 -2.973 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.993 7.071 -1.284 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.481 6.319 -1.846 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.619 5.433 -4.566 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.634 4.372 -3.530 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.248 3.845 -4.065 1.00 0.00 H new ATOM 1353 N VAL A 91 -12.466 3.259 -1.594 1.00 0.00 N ATOM 1354 CA VAL A 91 -13.381 2.207 -1.987 1.00 0.00 C ATOM 1355 C VAL A 91 -14.710 2.802 -2.438 1.00 0.00 C ATOM 1356 O VAL A 91 -15.204 3.764 -1.851 1.00 0.00 O ATOM 1357 CB VAL A 91 -13.607 1.194 -0.836 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -14.295 1.847 0.353 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -14.396 -0.010 -1.325 1.00 0.00 C ATOM 0 H VAL A 91 -12.917 4.084 -1.199 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.932 1.669 -2.822 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.629 0.849 -0.501 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -14.438 1.108 1.142 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -13.677 2.663 0.728 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -15.264 2.239 0.043 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -14.543 -0.708 -0.501 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -15.366 0.318 -1.700 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -13.846 -0.505 -2.126 1.00 0.00 H new ATOM 1369 N ASP A 92 -15.258 2.259 -3.511 1.00 0.00 N ATOM 1370 CA ASP A 92 -16.588 2.638 -3.959 1.00 0.00 C ATOM 1371 C ASP A 92 -17.591 2.235 -2.896 1.00 0.00 C ATOM 1372 O ASP A 92 -17.548 1.111 -2.409 1.00 0.00 O ATOM 1373 CB ASP A 92 -16.953 1.915 -5.260 1.00 0.00 C ATOM 1374 CG ASP A 92 -15.869 1.976 -6.311 1.00 0.00 C ATOM 1375 OD1 ASP A 92 -14.838 1.297 -6.138 1.00 0.00 O ATOM 1376 OD2 ASP A 92 -16.061 2.678 -7.321 1.00 0.00 O ATOM 0 H ASP A 92 -14.802 1.553 -4.089 1.00 0.00 H new ATOM 0 HA ASP A 92 -16.604 3.714 -4.132 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -17.172 0.871 -5.036 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -17.865 2.353 -5.665 1.00 0.00 H new ATOM 1381 N PRO A 93 -18.502 3.137 -2.514 1.00 0.00 N ATOM 1382 CA PRO A 93 -19.581 2.815 -1.571 1.00 0.00 C ATOM 1383 C PRO A 93 -20.427 1.649 -2.079 1.00 0.00 C ATOM 1384 O PRO A 93 -21.035 0.912 -1.302 1.00 0.00 O ATOM 1385 CB PRO A 93 -20.409 4.101 -1.510 1.00 0.00 C ATOM 1386 CG PRO A 93 -19.477 5.178 -1.950 1.00 0.00 C ATOM 1387 CD PRO A 93 -18.549 4.543 -2.948 1.00 0.00 C ATOM 0 HA PRO A 93 -19.205 2.506 -0.596 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -21.280 4.041 -2.162 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -20.778 4.286 -0.501 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -20.024 6.007 -2.399 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -18.922 5.583 -1.104 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -18.926 4.638 -3.966 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -17.561 5.004 -2.930 1.00 0.00 H new ATOM 1395 N GLU A 94 -20.436 1.494 -3.398 1.00 0.00 N ATOM 1396 CA GLU A 94 -21.102 0.380 -4.060 1.00 0.00 C ATOM 1397 C GLU A 94 -20.324 -0.909 -3.803 1.00 0.00 C ATOM 1398 O GLU A 94 -20.890 -1.944 -3.445 1.00 0.00 O ATOM 1399 CB GLU A 94 -21.162 0.640 -5.569 1.00 0.00 C ATOM 1400 CG GLU A 94 -21.537 2.069 -5.939 1.00 0.00 C ATOM 1401 CD GLU A 94 -23.005 2.370 -5.734 1.00 0.00 C ATOM 1402 OE1 GLU A 94 -23.469 2.357 -4.577 1.00 0.00 O ATOM 1403 OE2 GLU A 94 -23.698 2.634 -6.737 1.00 0.00 O ATOM 0 H GLU A 94 -19.979 2.141 -4.041 1.00 0.00 H new ATOM 0 HA GLU A 94 -22.113 0.282 -3.665 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -20.191 0.406 -6.006 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -21.886 -0.042 -6.016 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -20.944 2.760 -5.341 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -21.278 2.247 -6.983 1.00 0.00 H new ATOM 1410 N THR A 95 -19.013 -0.817 -3.992 1.00 0.00 N ATOM 1411 CA THR A 95 -18.104 -1.940 -3.817 1.00 0.00 C ATOM 1412 C THR A 95 -18.000 -2.346 -2.350 1.00 0.00 C ATOM 1413 O THR A 95 -18.098 -3.527 -2.013 1.00 0.00 O ATOM 1414 CB THR A 95 -16.701 -1.574 -4.345 1.00 0.00 C ATOM 1415 OG1 THR A 95 -16.782 -1.211 -5.729 1.00 0.00 O ATOM 1416 CG2 THR A 95 -15.727 -2.723 -4.176 1.00 0.00 C ATOM 0 H THR A 95 -18.549 0.047 -4.273 1.00 0.00 H new ATOM 0 HA THR A 95 -18.504 -2.782 -4.383 1.00 0.00 H new ATOM 0 HB THR A 95 -16.333 -0.730 -3.762 1.00 0.00 H new ATOM 0 HG1 THR A 95 -15.889 -0.978 -6.059 1.00 0.00 H new ATOM 0 HG21 THR A 95 -14.749 -2.430 -4.558 1.00 0.00 H new ATOM 0 HG22 THR A 95 -15.643 -2.976 -3.119 1.00 0.00 H new ATOM 0 HG23 THR A 95 -16.088 -3.590 -4.729 1.00 0.00 H new ATOM 1424 N ASP A 96 -17.844 -1.352 -1.484 1.00 0.00 N ATOM 1425 CA ASP A 96 -17.652 -1.581 -0.056 1.00 0.00 C ATOM 1426 C ASP A 96 -18.816 -2.354 0.541 1.00 0.00 C ATOM 1427 O ASP A 96 -18.634 -3.141 1.464 1.00 0.00 O ATOM 1428 CB ASP A 96 -17.486 -0.247 0.675 1.00 0.00 C ATOM 1429 CG ASP A 96 -17.605 -0.391 2.181 1.00 0.00 C ATOM 1430 OD1 ASP A 96 -16.663 -0.911 2.816 1.00 0.00 O ATOM 1431 OD2 ASP A 96 -18.651 0.016 2.734 1.00 0.00 O ATOM 0 H ASP A 96 -17.847 -0.367 -1.750 1.00 0.00 H new ATOM 0 HA ASP A 96 -16.748 -2.177 0.068 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -16.513 0.179 0.430 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -18.241 0.455 0.320 1.00 0.00 H new ATOM 1436 N GLU A 97 -20.003 -2.150 -0.012 1.00 0.00 N ATOM 1437 CA GLU A 97 -21.195 -2.820 0.483 1.00 0.00 C ATOM 1438 C GLU A 97 -21.031 -4.338 0.430 1.00 0.00 C ATOM 1439 O GLU A 97 -21.450 -5.044 1.348 1.00 0.00 O ATOM 1440 CB GLU A 97 -22.420 -2.382 -0.315 1.00 0.00 C ATOM 1441 CG GLU A 97 -23.698 -3.085 0.104 1.00 0.00 C ATOM 1442 CD GLU A 97 -24.934 -2.445 -0.485 1.00 0.00 C ATOM 1443 OE1 GLU A 97 -25.125 -2.530 -1.714 1.00 0.00 O ATOM 1444 OE2 GLU A 97 -25.724 -1.863 0.285 1.00 0.00 O ATOM 0 H GLU A 97 -20.165 -1.526 -0.803 1.00 0.00 H new ATOM 0 HA GLU A 97 -21.339 -2.535 1.525 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -22.552 -1.306 -0.201 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -22.241 -2.571 -1.373 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -23.652 -4.129 -0.205 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -23.773 -3.077 1.191 1.00 0.00 H new ATOM 1451 N GLN A 98 -20.423 -4.835 -0.642 1.00 0.00 N ATOM 1452 CA GLN A 98 -20.138 -6.262 -0.762 1.00 0.00 C ATOM 1453 C GLN A 98 -18.981 -6.647 0.152 1.00 0.00 C ATOM 1454 O GLN A 98 -19.042 -7.635 0.881 1.00 0.00 O ATOM 1455 CB GLN A 98 -19.796 -6.633 -2.206 1.00 0.00 C ATOM 1456 CG GLN A 98 -19.643 -8.132 -2.426 1.00 0.00 C ATOM 1457 CD GLN A 98 -19.193 -8.475 -3.832 1.00 0.00 C ATOM 1458 OE1 GLN A 98 -18.385 -7.612 -4.423 1.00 0.00 O flip ATOM 1459 NE2 GLN A 98 -19.550 -9.519 -4.373 1.00 0.00 N flip ATOM 0 H GLN A 98 -20.119 -4.274 -1.438 1.00 0.00 H new ATOM 0 HA GLN A 98 -21.032 -6.809 -0.464 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -20.577 -6.255 -2.865 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -18.869 -6.135 -2.491 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -18.921 -8.528 -1.711 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -20.595 -8.624 -2.224 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -20.175 -10.159 -3.883 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -19.221 -9.745 -5.312 1.00 0.00 H new ATOM 1468 N LEU A 99 -17.933 -5.838 0.105 1.00 0.00 N ATOM 1469 CA LEU A 99 -16.679 -6.129 0.788 1.00 0.00 C ATOM 1470 C LEU A 99 -16.843 -6.188 2.302 1.00 0.00 C ATOM 1471 O LEU A 99 -16.218 -7.014 2.967 1.00 0.00 O ATOM 1472 CB LEU A 99 -15.642 -5.072 0.408 1.00 0.00 C ATOM 1473 CG LEU A 99 -14.943 -5.271 -0.946 1.00 0.00 C ATOM 1474 CD1 LEU A 99 -13.782 -6.242 -0.806 1.00 0.00 C ATOM 1475 CD2 LEU A 99 -15.907 -5.772 -2.011 1.00 0.00 C ATOM 0 H LEU A 99 -17.927 -4.957 -0.410 1.00 0.00 H new ATOM 0 HA LEU A 99 -16.344 -7.116 0.468 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -16.131 -4.098 0.403 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -14.880 -5.042 1.187 1.00 0.00 H new ATOM 0 HG LEU A 99 -14.566 -4.298 -1.263 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -13.298 -6.372 -1.774 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -13.062 -5.847 -0.090 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -14.153 -7.204 -0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -15.374 -5.900 -2.953 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -16.328 -6.728 -1.700 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -16.711 -5.048 -2.144 1.00 0.00 H new ATOM 1487 N GLN A 100 -17.674 -5.311 2.849 1.00 0.00 N ATOM 1488 CA GLN A 100 -17.945 -5.313 4.284 1.00 0.00 C ATOM 1489 C GLN A 100 -18.679 -6.588 4.693 1.00 0.00 C ATOM 1490 O GLN A 100 -18.501 -7.082 5.805 1.00 0.00 O ATOM 1491 CB GLN A 100 -18.741 -4.077 4.712 1.00 0.00 C ATOM 1492 CG GLN A 100 -20.078 -3.933 4.017 1.00 0.00 C ATOM 1493 CD GLN A 100 -20.921 -2.834 4.614 1.00 0.00 C ATOM 1494 OE1 GLN A 100 -21.715 -3.080 5.520 1.00 0.00 O ATOM 1495 NE2 GLN A 100 -20.745 -1.615 4.134 1.00 0.00 N ATOM 0 H GLN A 100 -18.171 -4.591 2.325 1.00 0.00 H new ATOM 0 HA GLN A 100 -16.984 -5.282 4.797 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -18.906 -4.119 5.789 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -18.143 -3.187 4.515 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -19.914 -3.728 2.959 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -20.620 -4.877 4.078 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -20.075 -1.455 3.381 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -21.279 -0.834 4.516 1.00 0.00 H new ATOM 1504 N LYS A 101 -19.520 -7.107 3.794 1.00 0.00 N ATOM 1505 CA LYS A 101 -20.231 -8.355 4.051 1.00 0.00 C ATOM 1506 C LYS A 101 -19.230 -9.498 4.143 1.00 0.00 C ATOM 1507 O LYS A 101 -19.397 -10.427 4.933 1.00 0.00 O ATOM 1508 CB LYS A 101 -21.246 -8.653 2.940 1.00 0.00 C ATOM 1509 CG LYS A 101 -22.286 -7.564 2.715 1.00 0.00 C ATOM 1510 CD LYS A 101 -23.148 -7.325 3.946 1.00 0.00 C ATOM 1511 CE LYS A 101 -24.319 -6.405 3.635 1.00 0.00 C ATOM 1512 NZ LYS A 101 -23.877 -5.062 3.168 1.00 0.00 N ATOM 0 H LYS A 101 -19.722 -6.683 2.889 1.00 0.00 H new ATOM 0 HA LYS A 101 -20.772 -8.254 4.992 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -20.705 -8.817 2.008 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -21.761 -9.584 3.178 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -21.784 -6.636 2.440 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -22.924 -7.842 1.876 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -23.522 -8.278 4.321 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -22.540 -6.887 4.738 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -24.946 -6.864 2.871 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -24.936 -6.292 4.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -24.710 -4.467 2.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -23.287 -4.617 3.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -23.325 -5.163 2.292 1.00 0.00 H new ATOM 1526 N LEU A 102 -18.184 -9.407 3.325 1.00 0.00 N ATOM 1527 CA LEU A 102 -17.112 -10.390 3.333 1.00 0.00 C ATOM 1528 C LEU A 102 -16.297 -10.249 4.611 1.00 0.00 C ATOM 1529 O LEU A 102 -16.103 -11.210 5.350 1.00 0.00 O ATOM 1530 CB LEU A 102 -16.203 -10.213 2.108 1.00 0.00 C ATOM 1531 CG LEU A 102 -16.923 -10.146 0.755 1.00 0.00 C ATOM 1532 CD1 LEU A 102 -15.918 -10.023 -0.383 1.00 0.00 C ATOM 1533 CD2 LEU A 102 -17.810 -11.365 0.556 1.00 0.00 C ATOM 0 H LEU A 102 -18.059 -8.656 2.646 1.00 0.00 H new ATOM 0 HA LEU A 102 -17.552 -11.386 3.292 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -15.623 -9.299 2.237 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -15.493 -11.040 2.082 1.00 0.00 H new ATOM 0 HG LEU A 102 -17.556 -9.259 0.750 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -16.449 -9.977 -1.334 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -15.329 -9.115 -0.252 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -15.256 -10.889 -0.379 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -18.311 -11.297 -0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -17.200 -12.268 0.585 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -18.556 -11.406 1.350 1.00 0.00 H new ATOM 1545 N GLY A 103 -15.850 -9.014 4.852 1.00 0.00 N ATOM 1546 CA GLY A 103 -15.263 -8.623 6.128 1.00 0.00 C ATOM 1547 C GLY A 103 -14.108 -9.489 6.585 1.00 0.00 C ATOM 1548 O GLY A 103 -13.813 -9.543 7.780 1.00 0.00 O ATOM 0 H GLY A 103 -15.887 -8.260 4.166 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -14.919 -7.592 6.053 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -16.040 -8.645 6.892 1.00 0.00 H new ATOM 1552 N VAL A 104 -13.447 -10.152 5.650 1.00 0.00 N ATOM 1553 CA VAL A 104 -12.369 -11.060 5.995 1.00 0.00 C ATOM 1554 C VAL A 104 -11.060 -10.679 5.304 1.00 0.00 C ATOM 1555 O VAL A 104 -10.910 -10.831 4.094 1.00 0.00 O ATOM 1556 CB VAL A 104 -12.751 -12.527 5.673 1.00 0.00 C ATOM 1557 CG1 VAL A 104 -13.196 -12.688 4.224 1.00 0.00 C ATOM 1558 CG2 VAL A 104 -11.598 -13.464 5.988 1.00 0.00 C ATOM 0 H VAL A 104 -13.638 -10.078 4.651 1.00 0.00 H new ATOM 0 HA VAL A 104 -12.210 -10.974 7.070 1.00 0.00 H new ATOM 0 HB VAL A 104 -13.597 -12.792 6.307 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -13.455 -13.730 4.037 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -14.066 -12.058 4.039 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -12.385 -12.391 3.559 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -11.888 -14.489 5.755 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -10.730 -13.187 5.390 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -11.348 -13.390 7.046 1.00 0.00 H new ATOM 1568 N GLN A 105 -10.132 -10.140 6.096 1.00 0.00 N ATOM 1569 CA GLN A 105 -8.759 -9.879 5.655 1.00 0.00 C ATOM 1570 C GLN A 105 -8.692 -8.887 4.492 1.00 0.00 C ATOM 1571 O GLN A 105 -7.723 -8.866 3.736 1.00 0.00 O ATOM 1572 CB GLN A 105 -8.073 -11.190 5.269 1.00 0.00 C ATOM 1573 CG GLN A 105 -7.992 -12.189 6.410 1.00 0.00 C ATOM 1574 CD GLN A 105 -7.222 -13.435 6.032 1.00 0.00 C ATOM 1575 OE1 GLN A 105 -7.792 -14.409 5.534 1.00 0.00 O ATOM 1576 NE2 GLN A 105 -5.924 -13.417 6.272 1.00 0.00 N ATOM 0 H GLN A 105 -10.311 -9.871 7.064 1.00 0.00 H new ATOM 0 HA GLN A 105 -8.235 -9.422 6.494 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.613 -11.643 4.438 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.066 -10.973 4.914 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -7.515 -11.717 7.269 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -9.000 -12.467 6.718 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -5.493 -12.590 6.685 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -5.352 -14.230 6.044 1.00 0.00 H new ATOM 1585 N VAL A 106 -9.712 -8.061 4.364 1.00 0.00 N ATOM 1586 CA VAL A 106 -9.800 -7.119 3.256 1.00 0.00 C ATOM 1587 C VAL A 106 -9.002 -5.840 3.532 1.00 0.00 C ATOM 1588 O VAL A 106 -8.576 -5.153 2.603 1.00 0.00 O ATOM 1589 CB VAL A 106 -11.277 -6.774 2.955 1.00 0.00 C ATOM 1590 CG1 VAL A 106 -11.398 -5.707 1.877 1.00 0.00 C ATOM 1591 CG2 VAL A 106 -12.026 -8.031 2.543 1.00 0.00 C ATOM 0 H VAL A 106 -10.497 -8.020 5.015 1.00 0.00 H new ATOM 0 HA VAL A 106 -9.362 -7.601 2.382 1.00 0.00 H new ATOM 0 HB VAL A 106 -11.721 -6.370 3.865 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -12.451 -5.492 1.694 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -10.894 -4.798 2.206 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -10.936 -6.065 0.957 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -13.066 -7.782 2.332 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -11.565 -8.453 1.650 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -11.984 -8.761 3.352 1.00 0.00 H new ATOM 1601 N ARG A 107 -8.767 -5.552 4.809 1.00 0.00 N ATOM 1602 CA ARG A 107 -8.237 -4.249 5.213 1.00 0.00 C ATOM 1603 C ARG A 107 -6.835 -3.975 4.661 1.00 0.00 C ATOM 1604 O ARG A 107 -6.598 -2.908 4.098 1.00 0.00 O ATOM 1605 CB ARG A 107 -8.231 -4.120 6.740 1.00 0.00 C ATOM 1606 CG ARG A 107 -7.544 -5.275 7.444 1.00 0.00 C ATOM 1607 CD ARG A 107 -7.494 -5.072 8.944 1.00 0.00 C ATOM 1608 NE ARG A 107 -6.981 -6.257 9.631 1.00 0.00 N ATOM 1609 CZ ARG A 107 -6.712 -6.302 10.934 1.00 0.00 C ATOM 1610 NH1 ARG A 107 -6.794 -5.201 11.671 1.00 0.00 N ATOM 1611 NH2 ARG A 107 -6.335 -7.444 11.495 1.00 0.00 N ATOM 0 H ARG A 107 -8.934 -6.198 5.580 1.00 0.00 H new ATOM 0 HA ARG A 107 -8.902 -3.500 4.783 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -7.734 -3.190 7.016 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -9.259 -4.049 7.094 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -8.072 -6.202 7.220 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -6.530 -5.384 7.058 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -6.862 -4.215 9.175 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -8.493 -4.840 9.314 1.00 0.00 H new ATOM 0 HE ARG A 107 -6.820 -7.099 9.079 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -7.064 -4.317 11.239 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -6.587 -5.239 12.669 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -6.251 -8.288 10.928 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -6.129 -7.478 12.493 1.00 0.00 H new ATOM 1625 N GLU A 108 -5.915 -4.931 4.786 1.00 0.00 N ATOM 1626 CA GLU A 108 -4.532 -4.696 4.360 1.00 0.00 C ATOM 1627 C GLU A 108 -3.840 -5.964 3.885 1.00 0.00 C ATOM 1628 O GLU A 108 -3.104 -5.942 2.902 1.00 0.00 O ATOM 1629 CB GLU A 108 -3.693 -4.091 5.487 1.00 0.00 C ATOM 1630 CG GLU A 108 -3.862 -2.594 5.660 1.00 0.00 C ATOM 1631 CD GLU A 108 -2.768 -1.997 6.516 1.00 0.00 C ATOM 1632 OE1 GLU A 108 -1.720 -1.597 5.957 1.00 0.00 O ATOM 1633 OE2 GLU A 108 -2.932 -1.939 7.748 1.00 0.00 O ATOM 0 H GLU A 108 -6.094 -5.859 5.171 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.602 -3.998 3.526 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.955 -4.584 6.423 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.642 -4.306 5.296 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -3.860 -2.113 4.682 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.831 -2.388 6.114 1.00 0.00 H new ATOM 1640 N GLU A 109 -4.060 -7.061 4.589 1.00 0.00 N ATOM 1641 CA GLU A 109 -3.348 -8.303 4.320 1.00 0.00 C ATOM 1642 C GLU A 109 -3.626 -8.811 2.906 1.00 0.00 C ATOM 1643 O GLU A 109 -2.721 -9.298 2.230 1.00 0.00 O ATOM 1644 CB GLU A 109 -3.676 -9.372 5.377 1.00 0.00 C ATOM 1645 CG GLU A 109 -5.160 -9.579 5.652 1.00 0.00 C ATOM 1646 CD GLU A 109 -5.767 -8.513 6.549 1.00 0.00 C ATOM 1647 OE1 GLU A 109 -6.138 -7.439 6.035 1.00 0.00 O ATOM 1648 OE2 GLU A 109 -5.890 -8.751 7.769 1.00 0.00 O ATOM 0 H GLU A 109 -4.730 -7.119 5.356 1.00 0.00 H new ATOM 0 HA GLU A 109 -2.281 -8.092 4.385 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -3.247 -10.321 5.056 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -3.184 -9.099 6.311 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -5.698 -9.594 4.704 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -5.302 -10.556 6.115 1.00 0.00 H new ATOM 1655 N LEU A 110 -4.870 -8.685 2.458 1.00 0.00 N ATOM 1656 CA LEU A 110 -5.214 -9.010 1.081 1.00 0.00 C ATOM 1657 C LEU A 110 -4.825 -7.848 0.169 1.00 0.00 C ATOM 1658 O LEU A 110 -4.398 -8.053 -0.969 1.00 0.00 O ATOM 1659 CB LEU A 110 -6.717 -9.335 0.968 1.00 0.00 C ATOM 1660 CG LEU A 110 -7.195 -9.955 -0.357 1.00 0.00 C ATOM 1661 CD1 LEU A 110 -7.351 -8.903 -1.445 1.00 0.00 C ATOM 1662 CD2 LEU A 110 -6.244 -11.054 -0.808 1.00 0.00 C ATOM 0 H LEU A 110 -5.653 -8.362 3.026 1.00 0.00 H new ATOM 0 HA LEU A 110 -4.660 -9.895 0.766 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -6.979 -10.018 1.776 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -7.277 -8.415 1.134 1.00 0.00 H new ATOM 0 HG LEU A 110 -8.177 -10.394 -0.180 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -7.690 -9.379 -2.365 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -8.083 -8.160 -1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -6.392 -8.416 -1.620 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -6.599 -11.480 -1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -5.248 -10.636 -0.953 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -6.203 -11.834 -0.048 1.00 0.00 H new ATOM 1850 N THR B 3 -13.876 21.428 0.538 1.00 0.00 N ATOM 1851 CA THR B 3 -12.474 21.132 0.754 1.00 0.00 C ATOM 1852 C THR B 3 -11.815 20.568 -0.504 1.00 0.00 C ATOM 1853 O THR B 3 -11.862 19.363 -0.763 1.00 0.00 O ATOM 1854 CB THR B 3 -12.292 20.148 1.919 1.00 0.00 C ATOM 1855 OG1 THR B 3 -13.024 20.615 3.061 1.00 0.00 O ATOM 1856 CG2 THR B 3 -10.822 20.008 2.282 1.00 0.00 C ATOM 0 HA THR B 3 -11.986 22.074 1.004 1.00 0.00 H new ATOM 0 HB THR B 3 -12.669 19.173 1.611 1.00 0.00 H new ATOM 0 HG1 THR B 3 -13.721 21.239 2.770 1.00 0.00 H new ATOM 0 HG21 THR B 3 -10.717 19.306 3.109 1.00 0.00 H new ATOM 0 HG22 THR B 3 -10.268 19.638 1.419 1.00 0.00 H new ATOM 0 HG23 THR B 3 -10.426 20.980 2.578 1.00 0.00 H new ATOM 1864 N ARG B 4 -11.215 21.454 -1.288 1.00 0.00 N ATOM 1865 CA ARG B 4 -10.454 21.040 -2.453 1.00 0.00 C ATOM 1866 C ARG B 4 -9.053 20.604 -2.036 1.00 0.00 C ATOM 1867 O ARG B 4 -8.338 21.342 -1.351 1.00 0.00 O ATOM 1868 CB ARG B 4 -10.350 22.175 -3.474 1.00 0.00 C ATOM 1869 CG ARG B 4 -9.697 21.745 -4.779 1.00 0.00 C ATOM 1870 CD ARG B 4 -9.112 22.928 -5.536 1.00 0.00 C ATOM 1871 NE ARG B 4 -8.071 23.603 -4.760 1.00 0.00 N ATOM 1872 CZ ARG B 4 -6.853 23.101 -4.544 1.00 0.00 C ATOM 1873 NH1 ARG B 4 -6.513 21.918 -5.046 1.00 0.00 N ATOM 1874 NH2 ARG B 4 -5.973 23.784 -3.821 1.00 0.00 N ATOM 0 H ARG B 4 -11.242 22.462 -1.136 1.00 0.00 H new ATOM 0 HA ARG B 4 -10.977 20.202 -2.915 1.00 0.00 H new ATOM 0 HB2 ARG B 4 -11.348 22.560 -3.683 1.00 0.00 H new ATOM 0 HB3 ARG B 4 -9.777 22.994 -3.040 1.00 0.00 H new ATOM 0 HG2 ARG B 4 -8.909 21.022 -4.570 1.00 0.00 H new ATOM 0 HG3 ARG B 4 -10.434 21.241 -5.405 1.00 0.00 H new ATOM 0 HD2 ARG B 4 -8.696 22.585 -6.483 1.00 0.00 H new ATOM 0 HD3 ARG B 4 -9.905 23.636 -5.775 1.00 0.00 H new ATOM 0 HE ARG B 4 -8.290 24.515 -4.359 1.00 0.00 H new ATOM 0 HH11 ARG B 4 -7.185 21.387 -5.601 1.00 0.00 H new ATOM 0 HH12 ARG B 4 -5.580 21.541 -4.877 1.00 0.00 H new ATOM 0 HH21 ARG B 4 -6.228 24.691 -3.431 1.00 0.00 H new ATOM 0 HH22 ARG B 4 -5.042 23.401 -3.655 1.00 0.00 H new ATOM 1888 N LEU B 5 -8.673 19.408 -2.447 1.00 0.00 N ATOM 1889 CA LEU B 5 -7.366 18.862 -2.143 1.00 0.00 C ATOM 1890 C LEU B 5 -6.585 18.633 -3.420 1.00 0.00 C ATOM 1891 O LEU B 5 -6.867 17.639 -4.108 1.00 0.00 O ATOM 1892 CB LEU B 5 -7.506 17.549 -1.377 1.00 0.00 C ATOM 1893 CG LEU B 5 -7.703 17.698 0.131 1.00 0.00 C ATOM 1894 CD1 LEU B 5 -7.914 16.342 0.780 1.00 0.00 C ATOM 1895 CD2 LEU B 5 -6.510 18.407 0.748 1.00 0.00 C ATOM 1896 OXT LEU B 5 -5.705 19.455 -3.739 1.00 0.00 O ATOM 0 H LEU B 5 -9.264 18.788 -3.002 1.00 0.00 H new ATOM 0 HA LEU B 5 -6.827 19.577 -1.522 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -8.352 16.996 -1.786 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -6.615 16.946 -1.554 1.00 0.00 H new ATOM 0 HG LEU B 5 -8.594 18.300 0.307 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -8.052 16.470 1.854 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -8.799 15.868 0.354 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -7.043 15.712 0.599 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -6.662 18.507 1.823 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -5.606 17.827 0.562 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -6.404 19.396 0.303 1.00 0.00 H new