USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 837 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 Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 CYS SG : rot -104:sc= 0.904 USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -167:sc= 0.645 (180deg=0.542) USER MOD Single : A 22 ASN : amide:sc=-0.00301 X(o=-0.003,f=0) USER MOD Single : A 24 TYR OH : rot 165:sc= -0.031 USER MOD Single : A 27 HIS : no HD1:sc= -0.439 K(o=-0.44,f=-5.1!) USER MOD Single : A 29 HIS : no HE2:sc= -1.1! C(o=-1.1!,f=-7.2!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -1.81! K(o=-1.8!,f=-1) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -110:sc= 0.746 USER MOD Single : A 50 LYS NZ :NH3+ -115:sc= 0.0266 (180deg=-0.129) USER MOD Single : A 63 ASN : amide:sc= -3.79! C(o=-3.8!,f=-9.7!) USER MOD Single : A 66 ASN : amide:sc= -1.73! K(o=-1.7!,f=-0.23) USER MOD Single : A 69 LYS NZ :NH3+ 176:sc= 1.12! (180deg=0.829!) USER MOD Single : A 71 THR OG1 : rot 180:sc= -1.59! USER MOD Single : A 72 HIS : no HD1:sc= -0.327 X(o=-0.33,f=-0.66) USER MOD Single : A 73 GLN : amide:sc= -1.17! K(o=-1.2!,f=-0.031) USER MOD Single : A 74 GLN : amide:sc= -0.0486 K(o=-0.049,f=-0.92) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.216 K(o=-0.22,f=-4.6!) USER MOD Single : A 95 THR OG1 : rot 73:sc= 1.22 USER MOD Single : A 98 GLN : amide:sc= -0.243 K(o=-0.24,f=-1) USER MOD Single : A 100 GLN : amide:sc= 0.227 K(o=0.23,f=-1.9) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= -1.21 K(o=-1.2,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 41 N PRO A 7 -7.626 -18.794 1.396 1.00 0.00 N ATOM 42 CA PRO A 7 -6.717 -18.158 2.354 1.00 0.00 C ATOM 43 C PRO A 7 -5.893 -17.064 1.700 1.00 0.00 C ATOM 44 O PRO A 7 -5.297 -16.220 2.369 1.00 0.00 O ATOM 45 CB PRO A 7 -5.810 -19.311 2.788 1.00 0.00 C ATOM 46 CG PRO A 7 -5.787 -20.234 1.619 1.00 0.00 C ATOM 47 CD PRO A 7 -7.145 -20.128 0.979 1.00 0.00 C ATOM 0 HA PRO A 7 -7.247 -17.678 3.177 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -4.809 -18.957 3.033 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -6.199 -19.808 3.677 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -5.002 -19.954 0.917 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -5.583 -21.257 1.934 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -7.084 -20.210 -0.106 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -7.812 -20.919 1.322 1.00 0.00 H new ATOM 55 N PHE A 8 -5.871 -17.096 0.384 1.00 0.00 N ATOM 56 CA PHE A 8 -5.052 -16.200 -0.396 1.00 0.00 C ATOM 57 C PHE A 8 -5.776 -15.832 -1.673 1.00 0.00 C ATOM 58 O PHE A 8 -6.463 -16.668 -2.263 1.00 0.00 O ATOM 59 CB PHE A 8 -3.705 -16.856 -0.682 1.00 0.00 C ATOM 60 CG PHE A 8 -2.708 -16.612 0.408 1.00 0.00 C ATOM 61 CD1 PHE A 8 -1.932 -15.472 0.392 1.00 0.00 C ATOM 62 CD2 PHE A 8 -2.574 -17.498 1.464 1.00 0.00 C ATOM 63 CE1 PHE A 8 -1.037 -15.216 1.399 1.00 0.00 C ATOM 64 CE2 PHE A 8 -1.684 -17.242 2.485 1.00 0.00 C ATOM 65 CZ PHE A 8 -0.915 -16.098 2.450 1.00 0.00 C ATOM 0 H PHE A 8 -6.423 -17.747 -0.174 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.867 -15.282 0.162 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.846 -17.929 -0.808 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -3.311 -16.474 -1.624 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.030 -14.772 -0.424 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -3.172 -18.397 1.488 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -0.429 -14.324 1.368 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.589 -17.934 3.309 1.00 0.00 H new ATOM 0 HZ PHE A 8 -0.216 -15.893 3.248 1.00 0.00 H new ATOM 75 N THR A 9 -5.622 -14.586 -2.092 1.00 0.00 N ATOM 76 CA THR A 9 -6.438 -14.043 -3.156 1.00 0.00 C ATOM 77 C THR A 9 -6.056 -12.591 -3.431 1.00 0.00 C ATOM 78 O THR A 9 -5.893 -11.802 -2.498 1.00 0.00 O ATOM 79 CB THR A 9 -7.939 -14.142 -2.790 1.00 0.00 C ATOM 80 OG1 THR A 9 -8.758 -13.684 -3.871 1.00 0.00 O ATOM 81 CG2 THR A 9 -8.259 -13.349 -1.531 1.00 0.00 C ATOM 0 H THR A 9 -4.938 -13.934 -1.708 1.00 0.00 H new ATOM 0 HA THR A 9 -6.261 -14.627 -4.059 1.00 0.00 H new ATOM 0 HB THR A 9 -8.156 -15.193 -2.599 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.702 -13.757 -3.619 1.00 0.00 H new ATOM 0 HG21 THR A 9 -9.321 -13.441 -1.303 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.674 -13.738 -0.697 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.011 -12.299 -1.689 1.00 0.00 H new ATOM 89 N MET A 10 -5.869 -12.271 -4.715 1.00 0.00 N ATOM 90 CA MET A 10 -5.539 -10.914 -5.166 1.00 0.00 C ATOM 91 C MET A 10 -4.473 -10.273 -4.285 1.00 0.00 C ATOM 92 O MET A 10 -4.612 -9.122 -3.864 1.00 0.00 O ATOM 93 CB MET A 10 -6.796 -10.035 -5.195 1.00 0.00 C ATOM 94 CG MET A 10 -7.826 -10.487 -6.212 1.00 0.00 C ATOM 95 SD MET A 10 -9.256 -9.393 -6.290 1.00 0.00 S ATOM 96 CE MET A 10 -10.210 -10.194 -7.576 1.00 0.00 C ATOM 0 H MET A 10 -5.942 -12.948 -5.474 1.00 0.00 H new ATOM 0 HA MET A 10 -5.137 -10.994 -6.176 1.00 0.00 H new ATOM 0 HB2 MET A 10 -7.251 -10.033 -4.205 1.00 0.00 H new ATOM 0 HB3 MET A 10 -6.506 -9.007 -5.415 1.00 0.00 H new ATOM 0 HG2 MET A 10 -7.360 -10.539 -7.196 1.00 0.00 H new ATOM 0 HG3 MET A 10 -8.158 -11.495 -5.963 1.00 0.00 H new ATOM 0 HE1 MET A 10 -11.132 -9.637 -7.746 1.00 0.00 H new ATOM 0 HE2 MET A 10 -9.628 -10.222 -8.497 1.00 0.00 H new ATOM 0 HE3 MET A 10 -10.452 -11.211 -7.269 1.00 0.00 H new ATOM 106 N LEU A 11 -3.413 -11.023 -4.011 1.00 0.00 N ATOM 107 CA LEU A 11 -2.363 -10.554 -3.118 1.00 0.00 C ATOM 108 C LEU A 11 -1.658 -9.345 -3.718 1.00 0.00 C ATOM 109 O LEU A 11 -1.358 -9.312 -4.915 1.00 0.00 O ATOM 110 CB LEU A 11 -1.356 -11.668 -2.805 1.00 0.00 C ATOM 111 CG LEU A 11 -1.880 -12.819 -1.942 1.00 0.00 C ATOM 112 CD1 LEU A 11 -2.767 -12.294 -0.821 1.00 0.00 C ATOM 113 CD2 LEU A 11 -2.620 -13.834 -2.799 1.00 0.00 C ATOM 0 H LEU A 11 -3.258 -11.956 -4.393 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.829 -10.257 -2.179 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.995 -12.081 -3.747 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.497 -11.224 -2.302 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.028 -13.322 -1.484 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.128 -13.129 -0.221 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.193 -11.615 -0.190 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.616 -11.761 -1.248 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.985 -14.645 -2.169 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.463 -13.349 -3.291 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.943 -14.237 -3.552 1.00 0.00 H new ATOM 125 N PRO A 12 -1.419 -8.326 -2.886 1.00 0.00 N ATOM 126 CA PRO A 12 -0.850 -7.052 -3.325 1.00 0.00 C ATOM 127 C PRO A 12 0.598 -7.158 -3.778 1.00 0.00 C ATOM 128 O PRO A 12 1.342 -8.055 -3.370 1.00 0.00 O ATOM 129 CB PRO A 12 -0.941 -6.174 -2.077 1.00 0.00 C ATOM 130 CG PRO A 12 -0.940 -7.134 -0.947 1.00 0.00 C ATOM 131 CD PRO A 12 -1.689 -8.337 -1.439 1.00 0.00 C ATOM 0 HA PRO A 12 -1.384 -6.664 -4.193 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.098 -5.486 -2.014 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.847 -5.569 -2.083 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.077 -7.397 -0.657 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.421 -6.705 -0.068 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.333 -9.254 -0.969 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.756 -8.263 -1.227 1.00 0.00 H new ATOM 139 N ARG A 13 0.982 -6.222 -4.622 1.00 0.00 N ATOM 140 CA ARG A 13 2.342 -6.129 -5.106 1.00 0.00 C ATOM 141 C ARG A 13 2.952 -4.813 -4.644 1.00 0.00 C ATOM 142 O ARG A 13 2.238 -3.844 -4.396 1.00 0.00 O ATOM 143 CB ARG A 13 2.375 -6.220 -6.636 1.00 0.00 C ATOM 144 CG ARG A 13 3.776 -6.157 -7.220 1.00 0.00 C ATOM 145 CD ARG A 13 3.756 -6.185 -8.737 1.00 0.00 C ATOM 146 NE ARG A 13 5.092 -6.007 -9.300 1.00 0.00 N ATOM 147 CZ ARG A 13 5.441 -6.387 -10.528 1.00 0.00 C ATOM 148 NH1 ARG A 13 4.560 -6.994 -11.315 1.00 0.00 N ATOM 149 NH2 ARG A 13 6.676 -6.170 -10.960 1.00 0.00 N ATOM 0 H ARG A 13 0.358 -5.504 -4.991 1.00 0.00 H new ATOM 0 HA ARG A 13 2.922 -6.959 -4.703 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.903 -7.152 -6.946 1.00 0.00 H new ATOM 0 HB3 ARG A 13 1.780 -5.407 -7.053 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.271 -5.247 -6.880 1.00 0.00 H new ATOM 0 HG3 ARG A 13 4.363 -6.997 -6.849 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.341 -7.134 -9.078 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.098 -5.399 -9.107 1.00 0.00 H new ATOM 0 HE ARG A 13 5.802 -5.564 -8.717 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.613 -7.170 -10.980 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.830 -7.284 -12.255 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.356 -5.713 -10.352 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.946 -6.460 -11.900 1.00 0.00 H new ATOM 163 N LEU A 14 4.267 -4.788 -4.526 1.00 0.00 N ATOM 164 CA LEU A 14 4.971 -3.586 -4.125 1.00 0.00 C ATOM 165 C LEU A 14 5.162 -2.680 -5.328 1.00 0.00 C ATOM 166 O LEU A 14 5.864 -3.032 -6.279 1.00 0.00 O ATOM 167 CB LEU A 14 6.329 -3.950 -3.525 1.00 0.00 C ATOM 168 CG LEU A 14 7.176 -2.769 -3.056 1.00 0.00 C ATOM 169 CD1 LEU A 14 6.500 -2.055 -1.898 1.00 0.00 C ATOM 170 CD2 LEU A 14 8.562 -3.245 -2.664 1.00 0.00 C ATOM 0 H LEU A 14 4.870 -5.591 -4.703 1.00 0.00 H new ATOM 0 HA LEU A 14 4.383 -3.062 -3.372 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.166 -4.617 -2.679 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.897 -4.510 -4.268 1.00 0.00 H new ATOM 0 HG LEU A 14 7.275 -2.059 -3.877 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.118 -1.216 -1.577 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.525 -1.686 -2.217 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.371 -2.749 -1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.158 -2.395 -2.331 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.482 -3.971 -1.855 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.043 -3.711 -3.524 1.00 0.00 H new ATOM 182 N CYS A 15 4.539 -1.518 -5.278 1.00 0.00 N ATOM 183 CA CYS A 15 4.564 -0.591 -6.389 1.00 0.00 C ATOM 184 C CYS A 15 5.697 0.408 -6.220 1.00 0.00 C ATOM 185 O CYS A 15 5.719 1.190 -5.269 1.00 0.00 O ATOM 186 CB CYS A 15 3.226 0.143 -6.484 1.00 0.00 C ATOM 187 SG CYS A 15 1.803 -0.950 -6.697 1.00 0.00 S ATOM 0 H CYS A 15 4.005 -1.193 -4.472 1.00 0.00 H new ATOM 0 HA CYS A 15 4.730 -1.151 -7.309 1.00 0.00 H new ATOM 0 HB2 CYS A 15 3.084 0.736 -5.581 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.264 0.840 -7.321 1.00 0.00 H new ATOM 0 HG CYS A 15 1.399 -0.901 -7.932 1.00 0.00 H new ATOM 193 N CYS A 16 6.650 0.360 -7.133 1.00 0.00 N ATOM 194 CA CYS A 16 7.769 1.281 -7.110 1.00 0.00 C ATOM 195 C CYS A 16 7.584 2.341 -8.186 1.00 0.00 C ATOM 196 O CYS A 16 7.608 2.040 -9.382 1.00 0.00 O ATOM 197 CB CYS A 16 9.079 0.524 -7.321 1.00 0.00 C ATOM 198 SG CYS A 16 9.316 -0.852 -6.169 1.00 0.00 S ATOM 0 H CYS A 16 6.670 -0.310 -7.902 1.00 0.00 H new ATOM 0 HA CYS A 16 7.810 1.772 -6.137 1.00 0.00 H new ATOM 0 HB2 CYS A 16 9.107 0.141 -8.341 1.00 0.00 H new ATOM 0 HB3 CYS A 16 9.912 1.220 -7.218 1.00 0.00 H new ATOM 0 HG CYS A 16 10.449 -1.438 -6.421 1.00 0.00 H new ATOM 204 N LEU A 17 7.364 3.569 -7.761 1.00 0.00 N ATOM 205 CA LEU A 17 7.164 4.668 -8.686 1.00 0.00 C ATOM 206 C LEU A 17 8.202 5.749 -8.447 1.00 0.00 C ATOM 207 O LEU A 17 8.738 5.878 -7.346 1.00 0.00 O ATOM 208 CB LEU A 17 5.746 5.248 -8.579 1.00 0.00 C ATOM 209 CG LEU A 17 5.271 5.629 -7.175 1.00 0.00 C ATOM 210 CD1 LEU A 17 4.151 6.635 -7.262 1.00 0.00 C ATOM 211 CD2 LEU A 17 4.793 4.408 -6.405 1.00 0.00 C ATOM 0 H LEU A 17 7.319 3.832 -6.777 1.00 0.00 H new ATOM 0 HA LEU A 17 7.283 4.280 -9.697 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.691 6.135 -9.211 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.047 4.520 -8.990 1.00 0.00 H new ATOM 0 HG LEU A 17 6.117 6.065 -6.644 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.820 6.899 -6.258 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.504 7.530 -7.775 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.317 6.204 -7.817 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.462 4.711 -5.412 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.963 3.944 -6.938 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.611 3.693 -6.313 1.00 0.00 H new ATOM 223 N GLU A 18 8.461 6.532 -9.479 1.00 0.00 N ATOM 224 CA GLU A 18 9.540 7.496 -9.453 1.00 0.00 C ATOM 225 C GLU A 18 8.996 8.896 -9.267 1.00 0.00 C ATOM 226 O GLU A 18 7.916 9.227 -9.749 1.00 0.00 O ATOM 227 CB GLU A 18 10.359 7.432 -10.742 1.00 0.00 C ATOM 228 CG GLU A 18 11.335 6.265 -10.815 1.00 0.00 C ATOM 229 CD GLU A 18 10.664 4.919 -10.998 1.00 0.00 C ATOM 230 OE1 GLU A 18 10.135 4.663 -12.103 1.00 0.00 O ATOM 231 OE2 GLU A 18 10.679 4.107 -10.052 1.00 0.00 O ATOM 0 H GLU A 18 7.932 6.516 -10.351 1.00 0.00 H new ATOM 0 HA GLU A 18 10.188 7.249 -8.612 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.675 7.371 -11.589 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.917 8.362 -10.849 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.026 6.432 -11.642 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.930 6.243 -9.902 1.00 0.00 H new ATOM 238 N LYS A 19 9.754 9.706 -8.561 1.00 0.00 N ATOM 239 CA LYS A 19 9.358 11.062 -8.261 1.00 0.00 C ATOM 240 C LYS A 19 9.574 11.959 -9.475 1.00 0.00 C ATOM 241 O LYS A 19 10.696 12.089 -9.968 1.00 0.00 O ATOM 242 CB LYS A 19 10.164 11.595 -7.080 1.00 0.00 C ATOM 243 CG LYS A 19 9.539 12.805 -6.410 1.00 0.00 C ATOM 244 CD LYS A 19 10.523 13.478 -5.476 1.00 0.00 C ATOM 245 CE LYS A 19 11.607 14.191 -6.263 1.00 0.00 C ATOM 246 NZ LYS A 19 12.722 14.655 -5.397 1.00 0.00 N ATOM 0 H LYS A 19 10.662 9.442 -8.179 1.00 0.00 H new ATOM 0 HA LYS A 19 8.299 11.064 -8.003 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.278 10.801 -6.342 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.165 11.858 -7.424 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.209 13.515 -7.168 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.654 12.499 -5.852 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.999 14.192 -4.840 1.00 0.00 H new ATOM 0 HD3 LYS A 19 10.973 12.735 -4.817 1.00 0.00 H new ATOM 0 HE2 LYS A 19 11.999 13.520 -7.027 1.00 0.00 H new ATOM 0 HE3 LYS A 19 11.173 15.046 -6.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 13.322 15.318 -5.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.335 15.134 -4.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 13.291 13.838 -5.097 1.00 0.00 H new ATOM 260 N GLY A 20 8.501 12.552 -9.962 1.00 0.00 N ATOM 261 CA GLY A 20 8.600 13.483 -11.059 1.00 0.00 C ATOM 262 C GLY A 20 8.487 14.917 -10.588 1.00 0.00 C ATOM 263 O GLY A 20 8.714 15.203 -9.409 1.00 0.00 O ATOM 0 H GLY A 20 7.554 12.403 -9.613 1.00 0.00 H new ATOM 0 HA2 GLY A 20 9.552 13.342 -11.571 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.814 13.275 -11.785 1.00 0.00 H new ATOM 267 N PRO A 21 8.121 15.845 -11.483 1.00 0.00 N ATOM 268 CA PRO A 21 7.998 17.266 -11.147 1.00 0.00 C ATOM 269 C PRO A 21 6.897 17.530 -10.120 1.00 0.00 C ATOM 270 O PRO A 21 6.969 18.486 -9.349 1.00 0.00 O ATOM 271 CB PRO A 21 7.648 17.926 -12.482 1.00 0.00 C ATOM 272 CG PRO A 21 7.080 16.831 -13.316 1.00 0.00 C ATOM 273 CD PRO A 21 7.794 15.581 -12.894 1.00 0.00 C ATOM 0 HA PRO A 21 8.911 17.652 -10.693 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.928 18.733 -12.347 1.00 0.00 H new ATOM 0 HB3 PRO A 21 8.531 18.362 -12.950 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.005 16.739 -13.160 1.00 0.00 H new ATOM 0 HG3 PRO A 21 7.232 17.029 -14.377 1.00 0.00 H new ATOM 0 HD2 PRO A 21 7.163 14.699 -13.004 1.00 0.00 H new ATOM 0 HD3 PRO A 21 8.690 15.407 -13.490 1.00 0.00 H new ATOM 281 N ASN A 22 5.891 16.666 -10.097 1.00 0.00 N ATOM 282 CA ASN A 22 4.765 16.837 -9.189 1.00 0.00 C ATOM 283 C ASN A 22 4.793 15.766 -8.110 1.00 0.00 C ATOM 284 O ASN A 22 3.760 15.401 -7.543 1.00 0.00 O ATOM 285 CB ASN A 22 3.432 16.788 -9.947 1.00 0.00 C ATOM 286 CG ASN A 22 3.294 17.915 -10.953 1.00 0.00 C ATOM 287 OD1 ASN A 22 2.869 19.020 -10.610 1.00 0.00 O ATOM 288 ND2 ASN A 22 3.622 17.640 -12.206 1.00 0.00 N ATOM 0 H ASN A 22 5.832 15.842 -10.695 1.00 0.00 H new ATOM 0 HA ASN A 22 4.854 17.817 -8.721 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.346 15.832 -10.463 1.00 0.00 H new ATOM 0 HB3 ASN A 22 2.610 16.840 -9.233 1.00 0.00 H new ATOM 0 HD21 ASN A 22 3.526 18.355 -12.927 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.970 16.713 -12.450 1.00 0.00 H new ATOM 295 N GLY A 23 5.986 15.261 -7.829 1.00 0.00 N ATOM 296 CA GLY A 23 6.131 14.212 -6.848 1.00 0.00 C ATOM 297 C GLY A 23 5.798 12.859 -7.431 1.00 0.00 C ATOM 298 O GLY A 23 6.610 12.270 -8.131 1.00 0.00 O ATOM 0 H GLY A 23 6.857 15.562 -8.266 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.153 14.205 -6.470 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.478 14.414 -5.999 1.00 0.00 H new ATOM 302 N TYR A 24 4.602 12.361 -7.164 1.00 0.00 N ATOM 303 CA TYR A 24 4.218 11.049 -7.668 1.00 0.00 C ATOM 304 C TYR A 24 2.822 11.065 -8.285 1.00 0.00 C ATOM 305 O TYR A 24 2.492 10.210 -9.105 1.00 0.00 O ATOM 306 CB TYR A 24 4.301 9.995 -6.565 1.00 0.00 C ATOM 307 CG TYR A 24 5.675 9.879 -5.946 1.00 0.00 C ATOM 308 CD1 TYR A 24 6.641 9.066 -6.519 1.00 0.00 C ATOM 309 CD2 TYR A 24 6.011 10.590 -4.800 1.00 0.00 C ATOM 310 CE1 TYR A 24 7.902 8.962 -5.972 1.00 0.00 C ATOM 311 CE2 TYR A 24 7.274 10.495 -4.247 1.00 0.00 C ATOM 312 CZ TYR A 24 8.216 9.680 -4.838 1.00 0.00 C ATOM 313 OH TYR A 24 9.475 9.584 -4.296 1.00 0.00 O ATOM 0 H TYR A 24 3.889 12.835 -6.610 1.00 0.00 H new ATOM 0 HA TYR A 24 4.925 10.787 -8.455 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.579 10.238 -5.785 1.00 0.00 H new ATOM 0 HB3 TYR A 24 4.013 9.027 -6.975 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.401 8.504 -7.410 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.273 11.227 -4.334 1.00 0.00 H new ATOM 0 HE1 TYR A 24 8.641 8.321 -6.430 1.00 0.00 H new ATOM 0 HE2 TYR A 24 7.521 11.056 -3.358 1.00 0.00 H new ATOM 0 HH TYR A 24 9.614 10.316 -3.659 1.00 0.00 H new ATOM 323 N GLY A 25 2.003 12.035 -7.890 1.00 0.00 N ATOM 324 CA GLY A 25 0.703 12.206 -8.515 1.00 0.00 C ATOM 325 C GLY A 25 -0.394 11.366 -7.885 1.00 0.00 C ATOM 326 O GLY A 25 -1.355 10.990 -8.554 1.00 0.00 O ATOM 0 H GLY A 25 2.215 12.704 -7.150 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.420 13.257 -8.461 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.782 11.951 -9.572 1.00 0.00 H new ATOM 330 N PHE A 26 -0.267 11.075 -6.603 1.00 0.00 N ATOM 331 CA PHE A 26 -1.310 10.357 -5.889 1.00 0.00 C ATOM 332 C PHE A 26 -1.687 11.141 -4.640 1.00 0.00 C ATOM 333 O PHE A 26 -0.831 11.737 -3.987 1.00 0.00 O ATOM 334 CB PHE A 26 -0.850 8.930 -5.524 1.00 0.00 C ATOM 335 CG PHE A 26 0.106 8.856 -4.365 1.00 0.00 C ATOM 336 CD1 PHE A 26 1.430 9.242 -4.506 1.00 0.00 C ATOM 337 CD2 PHE A 26 -0.325 8.405 -3.127 1.00 0.00 C ATOM 338 CE1 PHE A 26 2.304 9.177 -3.437 1.00 0.00 C ATOM 339 CE2 PHE A 26 0.542 8.339 -2.055 1.00 0.00 C ATOM 340 CZ PHE A 26 1.857 8.726 -2.210 1.00 0.00 C ATOM 0 H PHE A 26 0.544 11.323 -6.036 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.184 10.261 -6.533 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.728 8.328 -5.292 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.377 8.481 -6.397 1.00 0.00 H new ATOM 0 HD1 PHE A 26 1.783 9.598 -5.463 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.353 8.101 -3.000 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.334 9.478 -3.561 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.192 7.985 -1.097 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.537 8.676 -1.372 1.00 0.00 H new ATOM 350 N HIS A 27 -2.970 11.175 -4.332 1.00 0.00 N ATOM 351 CA HIS A 27 -3.443 11.854 -3.138 1.00 0.00 C ATOM 352 C HIS A 27 -3.927 10.827 -2.127 1.00 0.00 C ATOM 353 O HIS A 27 -4.581 9.849 -2.494 1.00 0.00 O ATOM 354 CB HIS A 27 -4.557 12.848 -3.477 1.00 0.00 C ATOM 355 CG HIS A 27 -4.119 13.955 -4.395 1.00 0.00 C ATOM 356 ND1 HIS A 27 -3.544 15.129 -3.953 1.00 0.00 N ATOM 357 CD2 HIS A 27 -4.175 14.057 -5.745 1.00 0.00 C ATOM 358 CE1 HIS A 27 -3.270 15.902 -4.989 1.00 0.00 C ATOM 359 NE2 HIS A 27 -3.642 15.271 -6.085 1.00 0.00 N ATOM 0 H HIS A 27 -3.704 10.741 -4.891 1.00 0.00 H new ATOM 0 HA HIS A 27 -2.618 12.419 -2.705 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -5.384 12.310 -3.940 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.937 13.283 -2.553 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -4.568 13.317 -6.427 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -2.819 16.882 -4.945 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -3.548 15.630 -7.035 1.00 0.00 H new ATOM 368 N LEU A 28 -3.604 11.048 -0.866 1.00 0.00 N ATOM 369 CA LEU A 28 -3.863 10.069 0.178 1.00 0.00 C ATOM 370 C LEU A 28 -4.890 10.600 1.174 1.00 0.00 C ATOM 371 O LEU A 28 -4.767 11.728 1.653 1.00 0.00 O ATOM 372 CB LEU A 28 -2.549 9.761 0.898 1.00 0.00 C ATOM 373 CG LEU A 28 -2.575 8.578 1.862 1.00 0.00 C ATOM 374 CD1 LEU A 28 -2.681 7.267 1.099 1.00 0.00 C ATOM 375 CD2 LEU A 28 -1.333 8.593 2.735 1.00 0.00 C ATOM 0 H LEU A 28 -3.158 11.904 -0.536 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.266 9.161 -0.271 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.781 9.575 0.147 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.245 10.649 1.452 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.453 8.667 2.502 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.698 6.436 1.804 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.598 7.262 0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.823 7.162 0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.359 7.746 3.420 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.445 8.524 2.106 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.301 9.521 3.307 1.00 0.00 H new ATOM 387 N HIS A 29 -5.894 9.790 1.501 1.00 0.00 N ATOM 388 CA HIS A 29 -6.915 10.203 2.461 1.00 0.00 C ATOM 389 C HIS A 29 -6.994 9.230 3.622 1.00 0.00 C ATOM 390 O HIS A 29 -6.772 8.029 3.463 1.00 0.00 O ATOM 391 CB HIS A 29 -8.303 10.344 1.809 1.00 0.00 C ATOM 392 CG HIS A 29 -8.979 9.046 1.454 1.00 0.00 C ATOM 393 ND1 HIS A 29 -10.153 8.608 2.030 1.00 0.00 N ATOM 394 CD2 HIS A 29 -8.652 8.112 0.540 1.00 0.00 C ATOM 395 CE1 HIS A 29 -10.511 7.465 1.478 1.00 0.00 C ATOM 396 NE2 HIS A 29 -9.617 7.140 0.567 1.00 0.00 N ATOM 0 H HIS A 29 -6.022 8.853 1.120 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.615 11.183 2.832 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.951 10.899 2.488 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -8.202 10.942 0.904 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -10.664 9.092 2.768 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -7.783 8.127 -0.101 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -11.390 6.891 1.731 1.00 0.00 H new ATOM 405 N GLY A 30 -7.302 9.767 4.781 1.00 0.00 N ATOM 406 CA GLY A 30 -7.499 8.962 5.958 1.00 0.00 C ATOM 407 C GLY A 30 -8.861 9.228 6.539 1.00 0.00 C ATOM 408 O GLY A 30 -9.139 10.340 6.988 1.00 0.00 O ATOM 0 H GLY A 30 -7.422 10.769 4.931 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.401 7.906 5.707 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.729 9.187 6.696 1.00 0.00 H new ATOM 412 N GLU A 31 -9.723 8.229 6.487 1.00 0.00 N ATOM 413 CA GLU A 31 -11.100 8.388 6.928 1.00 0.00 C ATOM 414 C GLU A 31 -11.157 8.749 8.407 1.00 0.00 C ATOM 415 O GLU A 31 -10.472 8.139 9.228 1.00 0.00 O ATOM 416 CB GLU A 31 -11.891 7.112 6.640 1.00 0.00 C ATOM 417 CG GLU A 31 -11.988 6.791 5.159 1.00 0.00 C ATOM 418 CD GLU A 31 -12.611 7.919 4.364 1.00 0.00 C ATOM 419 OE1 GLU A 31 -11.884 8.860 3.986 1.00 0.00 O ATOM 420 OE2 GLU A 31 -13.832 7.866 4.108 1.00 0.00 O ATOM 0 H GLU A 31 -9.495 7.296 6.143 1.00 0.00 H new ATOM 0 HA GLU A 31 -11.554 9.208 6.372 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.420 6.276 7.157 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -12.896 7.215 7.050 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.992 6.582 4.769 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -12.579 5.885 5.024 1.00 0.00 H new ATOM 427 N LYS A 32 -11.974 9.749 8.723 1.00 0.00 N ATOM 428 CA LYS A 32 -12.046 10.305 10.068 1.00 0.00 C ATOM 429 C LYS A 32 -12.486 9.250 11.081 1.00 0.00 C ATOM 430 O LYS A 32 -13.674 8.949 11.212 1.00 0.00 O ATOM 431 CB LYS A 32 -13.010 11.495 10.088 1.00 0.00 C ATOM 432 CG LYS A 32 -13.056 12.233 11.415 1.00 0.00 C ATOM 433 CD LYS A 32 -14.087 13.349 11.384 1.00 0.00 C ATOM 434 CE LYS A 32 -14.099 14.138 12.682 1.00 0.00 C ATOM 435 NZ LYS A 32 -15.163 15.176 12.690 1.00 0.00 N ATOM 0 H LYS A 32 -12.603 10.195 8.055 1.00 0.00 H new ATOM 0 HA LYS A 32 -11.050 10.644 10.351 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -12.722 12.196 9.304 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -14.012 11.141 9.846 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -13.296 11.534 12.216 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.073 12.648 11.638 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -13.872 14.020 10.552 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -15.076 12.926 11.206 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -14.250 13.457 13.519 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.128 14.612 12.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.138 15.692 13.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -15.005 15.841 11.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -16.092 14.722 12.577 1.00 0.00 H new ATOM 449 N GLY A 33 -11.516 8.681 11.778 1.00 0.00 N ATOM 450 CA GLY A 33 -11.814 7.687 12.785 1.00 0.00 C ATOM 451 C GLY A 33 -11.121 6.370 12.512 1.00 0.00 C ATOM 452 O GLY A 33 -11.080 5.491 13.373 1.00 0.00 O ATOM 0 H GLY A 33 -10.524 8.891 11.663 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.509 8.060 13.763 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -12.891 7.527 12.827 1.00 0.00 H new ATOM 456 N LYS A 34 -10.591 6.224 11.305 1.00 0.00 N ATOM 457 CA LYS A 34 -9.871 5.017 10.927 1.00 0.00 C ATOM 458 C LYS A 34 -8.385 5.176 11.220 1.00 0.00 C ATOM 459 O LYS A 34 -7.872 6.292 11.280 1.00 0.00 O ATOM 460 CB LYS A 34 -10.076 4.718 9.441 1.00 0.00 C ATOM 461 CG LYS A 34 -11.521 4.853 8.993 1.00 0.00 C ATOM 462 CD LYS A 34 -12.437 3.878 9.714 1.00 0.00 C ATOM 463 CE LYS A 34 -12.289 2.466 9.172 1.00 0.00 C ATOM 464 NZ LYS A 34 -13.266 1.534 9.789 1.00 0.00 N ATOM 0 H LYS A 34 -10.647 6.929 10.570 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.262 4.185 11.512 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.456 5.395 8.853 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.731 3.706 9.231 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.862 5.872 9.174 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.584 4.682 7.918 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.210 3.885 10.780 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.472 4.203 9.607 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.428 2.475 8.091 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.277 2.109 9.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.134 0.581 9.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.117 1.506 10.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.233 1.861 9.588 1.00 0.00 H new ATOM 478 N LEU A 35 -7.704 4.058 11.405 1.00 0.00 N ATOM 479 CA LEU A 35 -6.280 4.073 11.706 1.00 0.00 C ATOM 480 C LEU A 35 -5.449 3.720 10.475 1.00 0.00 C ATOM 481 O LEU A 35 -4.283 3.354 10.591 1.00 0.00 O ATOM 482 CB LEU A 35 -5.969 3.119 12.874 1.00 0.00 C ATOM 483 CG LEU A 35 -6.614 1.723 12.810 1.00 0.00 C ATOM 484 CD1 LEU A 35 -5.960 0.851 11.745 1.00 0.00 C ATOM 485 CD2 LEU A 35 -6.541 1.043 14.167 1.00 0.00 C ATOM 0 H LEU A 35 -8.114 3.126 11.352 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.007 5.085 12.005 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.888 2.993 12.933 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.285 3.599 13.800 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.660 1.855 12.535 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.442 -0.127 11.729 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.069 1.325 10.769 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.901 0.730 11.974 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.001 0.057 14.105 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.498 0.938 14.466 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.071 1.645 14.905 1.00 0.00 H new ATOM 497 N GLY A 36 -6.049 3.849 9.301 1.00 0.00 N ATOM 498 CA GLY A 36 -5.367 3.477 8.081 1.00 0.00 C ATOM 499 C GLY A 36 -5.519 4.514 6.988 1.00 0.00 C ATOM 500 O GLY A 36 -6.512 5.245 6.945 1.00 0.00 O ATOM 0 H GLY A 36 -6.996 4.205 9.172 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.308 3.330 8.292 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.757 2.523 7.728 1.00 0.00 H new ATOM 504 N GLN A 37 -4.541 4.571 6.099 1.00 0.00 N ATOM 505 CA GLN A 37 -4.549 5.530 5.009 1.00 0.00 C ATOM 506 C GLN A 37 -4.929 4.848 3.697 1.00 0.00 C ATOM 507 O GLN A 37 -4.472 3.741 3.403 1.00 0.00 O ATOM 508 CB GLN A 37 -3.171 6.181 4.885 1.00 0.00 C ATOM 509 CG GLN A 37 -2.742 6.946 6.132 1.00 0.00 C ATOM 510 CD GLN A 37 -3.584 8.184 6.381 1.00 0.00 C ATOM 511 OE1 GLN A 37 -3.796 8.595 7.522 1.00 0.00 O ATOM 512 NE2 GLN A 37 -4.054 8.799 5.308 1.00 0.00 N ATOM 0 H GLN A 37 -3.726 3.958 6.113 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.291 6.299 5.223 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.432 5.409 4.670 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -3.176 6.863 4.035 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.808 6.287 6.998 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.696 7.237 6.032 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.856 8.427 4.379 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.614 9.645 5.410 1.00 0.00 H new ATOM 521 N TYR A 38 -5.772 5.506 2.915 1.00 0.00 N ATOM 522 CA TYR A 38 -6.248 4.948 1.656 1.00 0.00 C ATOM 523 C TYR A 38 -5.964 5.918 0.515 1.00 0.00 C ATOM 524 O TYR A 38 -5.840 7.125 0.736 1.00 0.00 O ATOM 525 CB TYR A 38 -7.756 4.677 1.732 1.00 0.00 C ATOM 526 CG TYR A 38 -8.196 3.947 2.983 1.00 0.00 C ATOM 527 CD1 TYR A 38 -7.841 2.624 3.201 1.00 0.00 C ATOM 528 CD2 TYR A 38 -8.972 4.588 3.945 1.00 0.00 C ATOM 529 CE1 TYR A 38 -8.242 1.956 4.342 1.00 0.00 C ATOM 530 CE2 TYR A 38 -9.381 3.927 5.091 1.00 0.00 C ATOM 531 CZ TYR A 38 -9.013 2.610 5.284 1.00 0.00 C ATOM 532 OH TYR A 38 -9.412 1.941 6.420 1.00 0.00 O ATOM 0 H TYR A 38 -6.143 6.431 3.131 1.00 0.00 H new ATOM 0 HA TYR A 38 -5.725 4.010 1.472 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -8.287 5.627 1.674 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.052 4.092 0.861 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -7.241 2.107 2.466 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -9.260 5.618 3.795 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -7.954 0.927 4.497 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -9.983 4.437 5.828 1.00 0.00 H new ATOM 0 HH TYR A 38 -9.947 2.540 6.982 1.00 0.00 H new ATOM 542 N ILE A 39 -5.862 5.396 -0.698 1.00 0.00 N ATOM 543 CA ILE A 39 -5.655 6.230 -1.877 1.00 0.00 C ATOM 544 C ILE A 39 -6.928 7.010 -2.191 1.00 0.00 C ATOM 545 O ILE A 39 -8.010 6.430 -2.282 1.00 0.00 O ATOM 546 CB ILE A 39 -5.264 5.391 -3.109 1.00 0.00 C ATOM 547 CG1 ILE A 39 -4.019 4.550 -2.816 1.00 0.00 C ATOM 548 CG2 ILE A 39 -5.020 6.299 -4.309 1.00 0.00 C ATOM 549 CD1 ILE A 39 -2.763 5.371 -2.634 1.00 0.00 C ATOM 0 H ILE A 39 -5.919 4.397 -0.894 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.837 6.915 -1.654 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.087 4.715 -3.342 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.192 3.962 -1.915 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.867 3.845 -3.633 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.744 5.694 -5.173 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.928 6.858 -4.533 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.212 6.995 -4.081 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.922 4.709 -2.430 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.565 5.939 -3.543 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.895 6.058 -1.798 1.00 0.00 H new ATOM 561 N ARG A 40 -6.796 8.322 -2.336 1.00 0.00 N ATOM 562 CA ARG A 40 -7.946 9.188 -2.570 1.00 0.00 C ATOM 563 C ARG A 40 -8.052 9.560 -4.042 1.00 0.00 C ATOM 564 O ARG A 40 -9.128 9.506 -4.627 1.00 0.00 O ATOM 565 CB ARG A 40 -7.831 10.459 -1.714 1.00 0.00 C ATOM 566 CG ARG A 40 -9.157 11.178 -1.472 1.00 0.00 C ATOM 567 CD ARG A 40 -9.586 12.031 -2.653 1.00 0.00 C ATOM 568 NE ARG A 40 -8.711 13.185 -2.844 1.00 0.00 N ATOM 569 CZ ARG A 40 -8.939 14.145 -3.738 1.00 0.00 C ATOM 570 NH1 ARG A 40 -10.030 14.103 -4.498 1.00 0.00 N ATOM 571 NH2 ARG A 40 -8.085 15.155 -3.859 1.00 0.00 N ATOM 0 H ARG A 40 -5.902 8.812 -2.296 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.848 8.645 -2.286 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.393 10.196 -0.751 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.141 11.149 -2.200 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.932 10.441 -1.261 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -9.067 11.808 -0.587 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.586 11.423 -3.558 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.609 12.374 -2.499 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.878 13.260 -2.260 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.693 13.335 -4.396 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.203 14.839 -5.182 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.255 15.195 -3.267 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.259 15.891 -4.544 1.00 0.00 H new ATOM 585 N LEU A 41 -6.929 9.926 -4.639 1.00 0.00 N ATOM 586 CA LEU A 41 -6.940 10.453 -5.991 1.00 0.00 C ATOM 587 C LEU A 41 -5.679 10.048 -6.730 1.00 0.00 C ATOM 588 O LEU A 41 -4.592 10.022 -6.155 1.00 0.00 O ATOM 589 CB LEU A 41 -7.066 11.982 -5.938 1.00 0.00 C ATOM 590 CG LEU A 41 -7.756 12.661 -7.130 1.00 0.00 C ATOM 591 CD1 LEU A 41 -6.924 12.574 -8.397 1.00 0.00 C ATOM 592 CD2 LEU A 41 -9.139 12.069 -7.357 1.00 0.00 C ATOM 0 H LEU A 41 -6.005 9.868 -4.211 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.793 10.041 -6.531 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.613 12.247 -5.033 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.065 12.402 -5.840 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.861 13.718 -6.883 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.452 13.067 -9.213 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.964 13.065 -8.236 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.758 11.527 -8.652 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.612 12.563 -8.206 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.049 11.002 -7.562 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.749 12.217 -6.466 1.00 0.00 H new ATOM 604 N VAL A 42 -5.839 9.729 -7.999 1.00 0.00 N ATOM 605 CA VAL A 42 -4.716 9.395 -8.857 1.00 0.00 C ATOM 606 C VAL A 42 -4.686 10.349 -10.042 1.00 0.00 C ATOM 607 O VAL A 42 -5.596 10.343 -10.875 1.00 0.00 O ATOM 608 CB VAL A 42 -4.795 7.940 -9.366 1.00 0.00 C ATOM 609 CG1 VAL A 42 -3.584 7.600 -10.220 1.00 0.00 C ATOM 610 CG2 VAL A 42 -4.920 6.968 -8.203 1.00 0.00 C ATOM 0 H VAL A 42 -6.746 9.694 -8.464 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.803 9.492 -8.270 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.686 7.847 -9.986 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.661 6.570 -10.567 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.544 8.270 -11.078 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.677 7.716 -9.627 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.974 5.949 -8.585 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.051 7.066 -7.552 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.824 7.192 -7.637 1.00 0.00 H new ATOM 620 N GLU A 43 -3.652 11.174 -10.103 1.00 0.00 N ATOM 621 CA GLU A 43 -3.536 12.189 -11.140 1.00 0.00 C ATOM 622 C GLU A 43 -3.181 11.542 -12.469 1.00 0.00 C ATOM 623 O GLU A 43 -2.258 10.735 -12.545 1.00 0.00 O ATOM 624 CB GLU A 43 -2.464 13.212 -10.757 1.00 0.00 C ATOM 625 CG GLU A 43 -2.686 13.848 -9.393 1.00 0.00 C ATOM 626 CD GLU A 43 -3.813 14.863 -9.371 1.00 0.00 C ATOM 627 OE1 GLU A 43 -4.862 14.631 -10.003 1.00 0.00 O ATOM 628 OE2 GLU A 43 -3.651 15.908 -8.706 1.00 0.00 O ATOM 0 H GLU A 43 -2.876 11.160 -9.442 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.494 12.699 -11.239 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.489 12.725 -10.767 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.436 13.996 -11.514 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.900 13.064 -8.667 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.764 14.334 -9.074 1.00 0.00 H new ATOM 635 N PRO A 44 -3.917 11.872 -13.532 1.00 0.00 N ATOM 636 CA PRO A 44 -3.665 11.321 -14.856 1.00 0.00 C ATOM 637 C PRO A 44 -2.373 11.857 -15.455 1.00 0.00 C ATOM 638 O PRO A 44 -2.175 13.069 -15.573 1.00 0.00 O ATOM 639 CB PRO A 44 -4.870 11.761 -15.689 1.00 0.00 C ATOM 640 CG PRO A 44 -5.846 12.338 -14.719 1.00 0.00 C ATOM 641 CD PRO A 44 -5.049 12.801 -13.535 1.00 0.00 C ATOM 0 HA PRO A 44 -3.546 10.238 -14.825 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.580 12.499 -16.437 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.304 10.917 -16.225 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.393 13.168 -15.167 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -6.584 11.593 -14.422 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.724 13.836 -13.644 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.624 12.743 -12.611 1.00 0.00 H new ATOM 649 N GLY A 45 -1.499 10.941 -15.818 1.00 0.00 N ATOM 650 CA GLY A 45 -0.209 11.305 -16.368 1.00 0.00 C ATOM 651 C GLY A 45 0.887 11.247 -15.324 1.00 0.00 C ATOM 652 O GLY A 45 1.969 11.805 -15.511 1.00 0.00 O ATOM 0 H GLY A 45 -1.659 9.936 -15.742 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.037 10.634 -17.191 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.262 12.312 -16.783 1.00 0.00 H new ATOM 656 N SER A 46 0.606 10.567 -14.222 1.00 0.00 N ATOM 657 CA SER A 46 1.552 10.465 -13.126 1.00 0.00 C ATOM 658 C SER A 46 2.257 9.112 -13.142 1.00 0.00 C ATOM 659 O SER A 46 1.778 8.153 -13.754 1.00 0.00 O ATOM 660 CB SER A 46 0.816 10.641 -11.799 1.00 0.00 C ATOM 661 OG SER A 46 -0.120 9.595 -11.597 1.00 0.00 O ATOM 0 H SER A 46 -0.274 10.076 -14.065 1.00 0.00 H new ATOM 0 HA SER A 46 2.302 11.248 -13.241 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.534 10.655 -10.979 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.302 11.602 -11.789 1.00 0.00 H new ATOM 0 HG SER A 46 -1.030 9.952 -11.668 1.00 0.00 H new ATOM 667 N PRO A 47 3.422 9.025 -12.483 1.00 0.00 N ATOM 668 CA PRO A 47 4.122 7.755 -12.290 1.00 0.00 C ATOM 669 C PRO A 47 3.334 6.803 -11.394 1.00 0.00 C ATOM 670 O PRO A 47 3.547 5.591 -11.420 1.00 0.00 O ATOM 671 CB PRO A 47 5.438 8.156 -11.619 1.00 0.00 C ATOM 672 CG PRO A 47 5.189 9.506 -11.033 1.00 0.00 C ATOM 673 CD PRO A 47 4.166 10.163 -11.910 1.00 0.00 C ATOM 0 HA PRO A 47 4.264 7.222 -13.230 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.720 7.439 -10.848 1.00 0.00 H new ATOM 0 HB3 PRO A 47 6.254 8.186 -12.341 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.828 9.424 -10.008 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.108 10.092 -11.001 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.513 10.823 -11.340 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.633 10.769 -12.686 1.00 0.00 H new ATOM 681 N ALA A 48 2.412 7.361 -10.613 1.00 0.00 N ATOM 682 CA ALA A 48 1.588 6.569 -9.714 1.00 0.00 C ATOM 683 C ALA A 48 0.692 5.611 -10.493 1.00 0.00 C ATOM 684 O ALA A 48 0.538 4.446 -10.118 1.00 0.00 O ATOM 685 CB ALA A 48 0.747 7.474 -8.826 1.00 0.00 C ATOM 0 H ALA A 48 2.219 8.362 -10.587 1.00 0.00 H new ATOM 0 HA ALA A 48 2.251 5.977 -9.083 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.137 6.865 -8.160 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.402 8.114 -8.234 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.099 8.093 -9.447 1.00 0.00 H new ATOM 691 N GLU A 49 0.111 6.105 -11.587 1.00 0.00 N ATOM 692 CA GLU A 49 -0.744 5.283 -12.438 1.00 0.00 C ATOM 693 C GLU A 49 0.029 4.092 -12.969 1.00 0.00 C ATOM 694 O GLU A 49 -0.470 2.971 -13.002 1.00 0.00 O ATOM 695 CB GLU A 49 -1.272 6.083 -13.626 1.00 0.00 C ATOM 696 CG GLU A 49 -2.060 7.317 -13.247 1.00 0.00 C ATOM 697 CD GLU A 49 -2.720 7.952 -14.449 1.00 0.00 C ATOM 698 OE1 GLU A 49 -1.992 8.434 -15.341 1.00 0.00 O ATOM 699 OE2 GLU A 49 -3.967 7.965 -14.517 1.00 0.00 O ATOM 0 H GLU A 49 0.218 7.069 -11.903 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.582 4.946 -11.828 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.430 6.382 -14.250 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.904 5.435 -14.233 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.820 7.051 -12.513 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.397 8.040 -12.772 1.00 0.00 H new ATOM 706 N LYS A 50 1.262 4.353 -13.367 1.00 0.00 N ATOM 707 CA LYS A 50 2.107 3.343 -13.985 1.00 0.00 C ATOM 708 C LYS A 50 2.544 2.293 -12.966 1.00 0.00 C ATOM 709 O LYS A 50 2.877 1.165 -13.325 1.00 0.00 O ATOM 710 CB LYS A 50 3.324 4.013 -14.626 1.00 0.00 C ATOM 711 CG LYS A 50 2.952 5.093 -15.634 1.00 0.00 C ATOM 712 CD LYS A 50 4.179 5.728 -16.265 1.00 0.00 C ATOM 713 CE LYS A 50 3.798 6.811 -17.266 1.00 0.00 C ATOM 714 NZ LYS A 50 3.110 7.963 -16.617 1.00 0.00 N ATOM 0 H LYS A 50 1.705 5.267 -13.272 1.00 0.00 H new ATOM 0 HA LYS A 50 1.532 2.833 -14.758 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.943 4.453 -13.844 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.929 3.254 -15.122 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.326 4.661 -16.414 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.359 5.862 -15.139 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.809 6.157 -15.486 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.770 4.961 -16.765 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.695 7.165 -17.774 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.147 6.385 -18.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.131 8.023 -16.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.105 7.828 -15.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.613 8.843 -16.848 1.00 0.00 H new ATOM 728 N ALA A 51 2.527 2.665 -11.692 1.00 0.00 N ATOM 729 CA ALA A 51 2.901 1.747 -10.629 1.00 0.00 C ATOM 730 C ALA A 51 1.699 0.927 -10.170 1.00 0.00 C ATOM 731 O ALA A 51 1.855 -0.113 -9.534 1.00 0.00 O ATOM 732 CB ALA A 51 3.507 2.509 -9.465 1.00 0.00 C ATOM 0 H ALA A 51 2.258 3.596 -11.372 1.00 0.00 H new ATOM 0 HA ALA A 51 3.649 1.056 -11.019 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.783 1.809 -8.676 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.395 3.043 -9.803 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.779 3.223 -9.079 1.00 0.00 H new ATOM 738 N GLY A 52 0.501 1.396 -10.500 1.00 0.00 N ATOM 739 CA GLY A 52 -0.701 0.653 -10.164 1.00 0.00 C ATOM 740 C GLY A 52 -1.439 1.220 -8.964 1.00 0.00 C ATOM 741 O GLY A 52 -2.098 0.479 -8.231 1.00 0.00 O ATOM 0 H GLY A 52 0.340 2.274 -10.993 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.370 0.648 -11.025 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.434 -0.384 -9.962 1.00 0.00 H new ATOM 745 N LEU A 53 -1.335 2.528 -8.761 1.00 0.00 N ATOM 746 CA LEU A 53 -2.060 3.187 -7.677 1.00 0.00 C ATOM 747 C LEU A 53 -3.516 3.406 -8.079 1.00 0.00 C ATOM 748 O LEU A 53 -3.799 3.856 -9.190 1.00 0.00 O ATOM 749 CB LEU A 53 -1.407 4.530 -7.309 1.00 0.00 C ATOM 750 CG LEU A 53 -0.190 4.459 -6.370 1.00 0.00 C ATOM 751 CD1 LEU A 53 -0.580 3.850 -5.032 1.00 0.00 C ATOM 752 CD2 LEU A 53 0.952 3.678 -7.000 1.00 0.00 C ATOM 0 H LEU A 53 -0.760 3.151 -9.328 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.022 2.540 -6.801 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.101 5.026 -8.230 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.163 5.162 -6.843 1.00 0.00 H new ATOM 0 HG LEU A 53 0.158 5.478 -6.200 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.294 3.809 -4.382 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.351 4.462 -4.564 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.963 2.842 -5.189 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.796 3.647 -6.310 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.622 2.662 -7.216 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.258 4.164 -7.926 1.00 0.00 H new ATOM 764 N LEU A 54 -4.439 3.074 -7.186 1.00 0.00 N ATOM 765 CA LEU A 54 -5.856 3.217 -7.479 1.00 0.00 C ATOM 766 C LEU A 54 -6.610 3.739 -6.262 1.00 0.00 C ATOM 767 O LEU A 54 -6.317 3.363 -5.128 1.00 0.00 O ATOM 768 CB LEU A 54 -6.430 1.878 -7.958 1.00 0.00 C ATOM 769 CG LEU A 54 -7.893 1.905 -8.411 1.00 0.00 C ATOM 770 CD1 LEU A 54 -8.094 0.977 -9.595 1.00 0.00 C ATOM 771 CD2 LEU A 54 -8.814 1.499 -7.269 1.00 0.00 C ATOM 0 H LEU A 54 -4.232 2.706 -6.258 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.979 3.948 -8.278 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.819 1.518 -8.786 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.332 1.152 -7.150 1.00 0.00 H new ATOM 0 HG LEU A 54 -8.140 2.923 -8.713 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -9.138 1.006 -9.907 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.460 1.298 -10.421 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.829 -0.041 -9.309 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.849 1.524 -7.610 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.564 0.490 -6.941 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.689 2.192 -6.437 1.00 0.00 H new ATOM 783 N ALA A 55 -7.573 4.621 -6.516 1.00 0.00 N ATOM 784 CA ALA A 55 -8.339 5.265 -5.455 1.00 0.00 C ATOM 785 C ALA A 55 -9.248 4.272 -4.746 1.00 0.00 C ATOM 786 O ALA A 55 -10.328 3.942 -5.230 1.00 0.00 O ATOM 787 CB ALA A 55 -9.150 6.422 -6.020 1.00 0.00 C ATOM 0 H ALA A 55 -7.843 4.907 -7.457 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.635 5.653 -4.719 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.717 6.894 -5.218 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.477 7.153 -6.468 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.837 6.048 -6.779 1.00 0.00 H new ATOM 793 N GLY A 56 -8.800 3.812 -3.592 1.00 0.00 N ATOM 794 CA GLY A 56 -9.541 2.826 -2.842 1.00 0.00 C ATOM 795 C GLY A 56 -8.608 1.874 -2.132 1.00 0.00 C ATOM 796 O GLY A 56 -8.916 1.378 -1.049 1.00 0.00 O ATOM 0 H GLY A 56 -7.926 4.108 -3.157 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.182 3.323 -2.114 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.194 2.268 -3.513 1.00 0.00 H new ATOM 800 N ASP A 57 -7.454 1.642 -2.745 1.00 0.00 N ATOM 801 CA ASP A 57 -6.434 0.765 -2.179 1.00 0.00 C ATOM 802 C ASP A 57 -5.953 1.269 -0.823 1.00 0.00 C ATOM 803 O ASP A 57 -5.794 2.477 -0.611 1.00 0.00 O ATOM 804 CB ASP A 57 -5.243 0.639 -3.129 1.00 0.00 C ATOM 805 CG ASP A 57 -5.466 -0.367 -4.243 1.00 0.00 C ATOM 806 OD1 ASP A 57 -5.970 0.025 -5.314 1.00 0.00 O ATOM 807 OD2 ASP A 57 -5.118 -1.555 -4.057 1.00 0.00 O ATOM 0 H ASP A 57 -7.199 2.053 -3.643 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.891 -0.215 -2.041 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.032 1.615 -3.567 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.361 0.349 -2.558 1.00 0.00 H new ATOM 812 N ARG A 58 -5.727 0.334 0.091 1.00 0.00 N ATOM 813 CA ARG A 58 -5.219 0.656 1.413 1.00 0.00 C ATOM 814 C ARG A 58 -3.700 0.649 1.398 1.00 0.00 C ATOM 815 O ARG A 58 -3.079 -0.280 0.880 1.00 0.00 O ATOM 816 CB ARG A 58 -5.728 -0.346 2.457 1.00 0.00 C ATOM 817 CG ARG A 58 -5.192 -0.080 3.860 1.00 0.00 C ATOM 818 CD ARG A 58 -5.651 -1.131 4.861 1.00 0.00 C ATOM 819 NE ARG A 58 -5.123 -0.869 6.204 1.00 0.00 N ATOM 820 CZ ARG A 58 -5.307 -1.678 7.252 1.00 0.00 C ATOM 821 NH1 ARG A 58 -5.970 -2.817 7.120 1.00 0.00 N ATOM 822 NH2 ARG A 58 -4.805 -1.354 8.438 1.00 0.00 N ATOM 0 H ARG A 58 -5.890 -0.661 -0.064 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.578 1.649 1.683 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.817 -0.315 2.480 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.444 -1.353 2.152 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.103 -0.058 3.833 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.522 0.904 4.192 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.740 -1.149 4.896 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.326 -2.117 4.528 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.582 -0.016 6.347 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.347 -3.085 6.211 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.104 -3.426 7.927 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.279 -0.487 8.550 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.946 -1.972 9.237 1.00 0.00 H new ATOM 836 N LEU A 59 -3.111 1.689 1.961 1.00 0.00 N ATOM 837 CA LEU A 59 -1.667 1.796 2.053 1.00 0.00 C ATOM 838 C LEU A 59 -1.149 0.863 3.144 1.00 0.00 C ATOM 839 O LEU A 59 -1.452 1.041 4.325 1.00 0.00 O ATOM 840 CB LEU A 59 -1.274 3.247 2.337 1.00 0.00 C ATOM 841 CG LEU A 59 0.223 3.550 2.277 1.00 0.00 C ATOM 842 CD1 LEU A 59 0.786 3.203 0.907 1.00 0.00 C ATOM 843 CD2 LEU A 59 0.477 5.016 2.605 1.00 0.00 C ATOM 0 H LEU A 59 -3.616 2.478 2.365 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.216 1.498 1.106 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.786 3.890 1.621 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.642 3.517 3.327 1.00 0.00 H new ATOM 0 HG LEU A 59 0.731 2.934 3.019 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.853 3.426 0.885 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.633 2.142 0.709 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.276 3.792 0.144 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.547 5.219 2.559 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.043 5.646 1.883 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.109 5.233 3.608 1.00 0.00 H new ATOM 855 N VAL A 60 -0.391 -0.146 2.735 1.00 0.00 N ATOM 856 CA VAL A 60 0.089 -1.172 3.651 1.00 0.00 C ATOM 857 C VAL A 60 1.548 -0.938 4.031 1.00 0.00 C ATOM 858 O VAL A 60 1.948 -1.182 5.170 1.00 0.00 O ATOM 859 CB VAL A 60 -0.057 -2.582 3.034 1.00 0.00 C ATOM 860 CG1 VAL A 60 0.365 -3.660 4.021 1.00 0.00 C ATOM 861 CG2 VAL A 60 -1.483 -2.815 2.568 1.00 0.00 C ATOM 0 H VAL A 60 -0.094 -0.276 1.768 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.525 -1.109 4.549 1.00 0.00 H new ATOM 0 HB VAL A 60 0.605 -2.640 2.170 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.251 -4.641 3.559 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.408 -3.509 4.301 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.261 -3.604 4.911 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.566 -3.813 2.137 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.162 -2.729 3.416 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.746 -2.071 1.816 1.00 0.00 H new ATOM 871 N GLU A 61 2.348 -0.461 3.085 1.00 0.00 N ATOM 872 CA GLU A 61 3.762 -0.231 3.350 1.00 0.00 C ATOM 873 C GLU A 61 4.274 0.981 2.575 1.00 0.00 C ATOM 874 O GLU A 61 3.768 1.299 1.495 1.00 0.00 O ATOM 875 CB GLU A 61 4.554 -1.500 2.990 1.00 0.00 C ATOM 876 CG GLU A 61 6.063 -1.396 3.143 1.00 0.00 C ATOM 877 CD GLU A 61 6.795 -1.260 1.821 1.00 0.00 C ATOM 878 OE1 GLU A 61 6.869 -0.138 1.291 1.00 0.00 O ATOM 879 OE2 GLU A 61 7.351 -2.264 1.335 1.00 0.00 O ATOM 0 H GLU A 61 2.046 -0.228 2.139 1.00 0.00 H new ATOM 0 HA GLU A 61 3.900 -0.014 4.409 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.199 -2.319 3.616 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.329 -1.767 1.958 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.299 -0.536 3.770 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.430 -2.281 3.664 1.00 0.00 H new ATOM 886 N VAL A 62 5.274 1.648 3.150 1.00 0.00 N ATOM 887 CA VAL A 62 5.925 2.794 2.523 1.00 0.00 C ATOM 888 C VAL A 62 7.440 2.690 2.683 1.00 0.00 C ATOM 889 O VAL A 62 7.978 2.849 3.783 1.00 0.00 O ATOM 890 CB VAL A 62 5.445 4.140 3.114 1.00 0.00 C ATOM 891 CG1 VAL A 62 6.165 5.306 2.461 1.00 0.00 C ATOM 892 CG2 VAL A 62 3.947 4.306 2.947 1.00 0.00 C ATOM 0 H VAL A 62 5.655 1.407 4.065 1.00 0.00 H new ATOM 0 HA VAL A 62 5.654 2.774 1.468 1.00 0.00 H new ATOM 0 HB VAL A 62 5.679 4.132 4.178 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.810 6.241 2.894 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.238 5.212 2.630 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.965 5.303 1.389 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.637 5.261 3.371 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.694 4.281 1.887 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.431 3.496 3.462 1.00 0.00 H new ATOM 902 N ASN A 63 8.098 2.381 1.577 1.00 0.00 N ATOM 903 CA ASN A 63 9.558 2.270 1.496 1.00 0.00 C ATOM 904 C ASN A 63 10.106 1.152 2.383 1.00 0.00 C ATOM 905 O ASN A 63 11.283 1.157 2.748 1.00 0.00 O ATOM 906 CB ASN A 63 10.255 3.588 1.859 1.00 0.00 C ATOM 907 CG ASN A 63 9.906 4.726 0.922 1.00 0.00 C ATOM 908 OD1 ASN A 63 8.997 5.503 1.190 1.00 0.00 O ATOM 909 ND2 ASN A 63 10.627 4.835 -0.184 1.00 0.00 N ATOM 0 H ASN A 63 7.630 2.196 0.690 1.00 0.00 H new ATOM 0 HA ASN A 63 9.776 2.028 0.456 1.00 0.00 H new ATOM 0 HB2 ASN A 63 9.982 3.867 2.877 1.00 0.00 H new ATOM 0 HB3 ASN A 63 11.334 3.436 1.849 1.00 0.00 H new ATOM 0 HD21 ASN A 63 10.433 5.585 -0.847 1.00 0.00 H new ATOM 0 HD22 ASN A 63 11.376 4.169 -0.372 1.00 0.00 H new ATOM 916 N GLY A 64 9.267 0.187 2.714 1.00 0.00 N ATOM 917 CA GLY A 64 9.702 -0.912 3.557 1.00 0.00 C ATOM 918 C GLY A 64 9.152 -0.837 4.968 1.00 0.00 C ATOM 919 O GLY A 64 9.496 -1.659 5.815 1.00 0.00 O ATOM 0 H GLY A 64 8.292 0.141 2.416 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.393 -1.854 3.103 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.791 -0.920 3.599 1.00 0.00 H new ATOM 923 N GLU A 65 8.298 0.143 5.224 1.00 0.00 N ATOM 924 CA GLU A 65 7.704 0.303 6.544 1.00 0.00 C ATOM 925 C GLU A 65 6.226 -0.064 6.508 1.00 0.00 C ATOM 926 O GLU A 65 5.474 0.440 5.677 1.00 0.00 O ATOM 927 CB GLU A 65 7.880 1.742 7.040 1.00 0.00 C ATOM 928 CG GLU A 65 7.150 2.044 8.343 1.00 0.00 C ATOM 929 CD GLU A 65 7.643 1.224 9.516 1.00 0.00 C ATOM 930 OE1 GLU A 65 7.121 0.111 9.725 1.00 0.00 O ATOM 931 OE2 GLU A 65 8.533 1.700 10.250 1.00 0.00 O ATOM 0 H GLU A 65 8.001 0.837 4.538 1.00 0.00 H new ATOM 0 HA GLU A 65 8.214 -0.368 7.235 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.943 1.940 7.177 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.525 2.427 6.270 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.264 3.103 8.577 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.085 1.861 8.204 1.00 0.00 H new ATOM 938 N ASN A 66 5.821 -0.930 7.422 1.00 0.00 N ATOM 939 CA ASN A 66 4.440 -1.393 7.496 1.00 0.00 C ATOM 940 C ASN A 66 3.537 -0.291 8.049 1.00 0.00 C ATOM 941 O ASN A 66 3.367 -0.168 9.260 1.00 0.00 O ATOM 942 CB ASN A 66 4.358 -2.640 8.383 1.00 0.00 C ATOM 943 CG ASN A 66 2.968 -3.240 8.432 1.00 0.00 C ATOM 944 OD1 ASN A 66 2.563 -3.815 9.443 1.00 0.00 O ATOM 945 ND2 ASN A 66 2.225 -3.114 7.344 1.00 0.00 N ATOM 0 H ASN A 66 6.434 -1.332 8.131 1.00 0.00 H new ATOM 0 HA ASN A 66 4.099 -1.647 6.492 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.058 -3.389 8.013 1.00 0.00 H new ATOM 0 HB3 ASN A 66 4.672 -2.381 9.394 1.00 0.00 H new ATOM 0 HD21 ASN A 66 1.281 -3.500 7.323 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.596 -2.631 6.526 1.00 0.00 H new ATOM 952 N VAL A 67 2.942 0.490 7.153 1.00 0.00 N ATOM 953 CA VAL A 67 2.168 1.666 7.549 1.00 0.00 C ATOM 954 C VAL A 67 0.671 1.365 7.659 1.00 0.00 C ATOM 955 O VAL A 67 -0.171 2.219 7.376 1.00 0.00 O ATOM 956 CB VAL A 67 2.380 2.828 6.564 1.00 0.00 C ATOM 957 CG1 VAL A 67 3.840 3.259 6.557 1.00 0.00 C ATOM 958 CG2 VAL A 67 1.925 2.441 5.165 1.00 0.00 C ATOM 0 H VAL A 67 2.980 0.331 6.146 1.00 0.00 H new ATOM 0 HA VAL A 67 2.533 1.954 8.535 1.00 0.00 H new ATOM 0 HB VAL A 67 1.774 3.672 6.894 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.973 4.082 5.855 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.128 3.585 7.557 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.466 2.419 6.255 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.085 3.278 4.486 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.499 1.580 4.821 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.865 2.187 5.184 1.00 0.00 H new ATOM 968 N GLU A 68 0.348 0.158 8.103 1.00 0.00 N ATOM 969 CA GLU A 68 -1.043 -0.260 8.251 1.00 0.00 C ATOM 970 C GLU A 68 -1.788 0.559 9.305 1.00 0.00 C ATOM 971 O GLU A 68 -3.020 0.575 9.315 1.00 0.00 O ATOM 972 CB GLU A 68 -1.118 -1.740 8.613 1.00 0.00 C ATOM 973 CG GLU A 68 -1.000 -2.672 7.419 1.00 0.00 C ATOM 974 CD GLU A 68 -0.836 -4.117 7.833 1.00 0.00 C ATOM 975 OE1 GLU A 68 -1.652 -4.611 8.634 1.00 0.00 O ATOM 976 OE2 GLU A 68 0.137 -4.758 7.390 1.00 0.00 O ATOM 0 H GLU A 68 1.031 -0.552 8.368 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.528 -0.088 7.290 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.323 -1.971 9.322 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.064 -1.933 9.120 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.888 -2.574 6.795 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.148 -2.372 6.810 1.00 0.00 H new ATOM 983 N LYS A 69 -1.052 1.230 10.186 1.00 0.00 N ATOM 984 CA LYS A 69 -1.674 2.002 11.256 1.00 0.00 C ATOM 985 C LYS A 69 -0.996 3.361 11.404 1.00 0.00 C ATOM 986 O LYS A 69 -1.117 4.025 12.434 1.00 0.00 O ATOM 987 CB LYS A 69 -1.625 1.231 12.581 1.00 0.00 C ATOM 988 CG LYS A 69 -0.230 1.075 13.177 1.00 0.00 C ATOM 989 CD LYS A 69 0.207 -0.381 13.231 1.00 0.00 C ATOM 990 CE LYS A 69 0.835 -0.833 11.923 1.00 0.00 C ATOM 991 NZ LYS A 69 2.150 -0.175 11.690 1.00 0.00 N ATOM 0 H LYS A 69 -0.032 1.255 10.181 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.719 2.166 10.993 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.260 1.741 13.306 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.051 0.240 12.425 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.484 1.646 12.583 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.216 1.495 14.183 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.922 -0.516 14.043 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.654 -1.010 13.457 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.966 -1.915 11.937 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.162 -0.604 11.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.581 -0.557 10.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.011 0.850 11.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.778 -0.358 12.498 1.00 0.00 H new ATOM 1005 N GLU A 70 -0.293 3.769 10.366 1.00 0.00 N ATOM 1006 CA GLU A 70 0.442 5.020 10.377 1.00 0.00 C ATOM 1007 C GLU A 70 -0.411 6.130 9.779 1.00 0.00 C ATOM 1008 O GLU A 70 -1.132 5.914 8.806 1.00 0.00 O ATOM 1009 CB GLU A 70 1.755 4.870 9.599 1.00 0.00 C ATOM 1010 CG GLU A 70 2.924 4.316 10.417 1.00 0.00 C ATOM 1011 CD GLU A 70 2.751 2.875 10.888 1.00 0.00 C ATOM 1012 OE1 GLU A 70 1.821 2.182 10.433 1.00 0.00 O ATOM 1013 OE2 GLU A 70 3.567 2.424 11.717 1.00 0.00 O ATOM 0 H GLU A 70 -0.215 3.246 9.494 1.00 0.00 H new ATOM 0 HA GLU A 70 0.681 5.282 11.408 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.583 4.214 8.746 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.038 5.844 9.200 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.832 4.380 9.817 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.073 4.953 11.289 1.00 0.00 H new ATOM 1020 N THR A 71 -0.326 7.319 10.366 1.00 0.00 N ATOM 1021 CA THR A 71 -1.178 8.432 9.972 1.00 0.00 C ATOM 1022 C THR A 71 -0.654 9.136 8.724 1.00 0.00 C ATOM 1023 O THR A 71 0.436 8.823 8.239 1.00 0.00 O ATOM 1024 CB THR A 71 -1.296 9.466 11.106 1.00 0.00 C ATOM 1025 OG1 THR A 71 -0.001 9.993 11.420 1.00 0.00 O ATOM 1026 CG2 THR A 71 -1.906 8.846 12.352 1.00 0.00 C ATOM 0 H THR A 71 0.327 7.536 11.119 1.00 0.00 H new ATOM 0 HA THR A 71 -2.158 8.008 9.754 1.00 0.00 H new ATOM 0 HB THR A 71 -1.949 10.269 10.765 1.00 0.00 H new ATOM 0 HG1 THR A 71 -0.082 10.652 12.141 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.977 9.600 13.136 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.902 8.469 12.120 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.277 8.024 12.695 1.00 0.00 H new ATOM 1034 N HIS A 72 -1.424 10.105 8.231 1.00 0.00 N ATOM 1035 CA HIS A 72 -1.057 10.857 7.036 1.00 0.00 C ATOM 1036 C HIS A 72 0.337 11.459 7.175 1.00 0.00 C ATOM 1037 O HIS A 72 1.162 11.336 6.277 1.00 0.00 O ATOM 1038 CB HIS A 72 -2.085 11.970 6.789 1.00 0.00 C ATOM 1039 CG HIS A 72 -1.827 12.795 5.558 1.00 0.00 C ATOM 1040 ND1 HIS A 72 -2.527 12.633 4.386 1.00 0.00 N ATOM 1041 CD2 HIS A 72 -0.954 13.806 5.330 1.00 0.00 C ATOM 1042 CE1 HIS A 72 -2.094 13.498 3.489 1.00 0.00 C ATOM 1043 NE2 HIS A 72 -1.139 14.224 4.038 1.00 0.00 N ATOM 0 H HIS A 72 -2.312 10.388 8.646 1.00 0.00 H new ATOM 0 HA HIS A 72 -1.049 10.173 6.188 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -3.075 11.522 6.710 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -2.103 12.630 7.656 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.243 14.208 6.037 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.459 13.595 2.477 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -0.623 14.973 3.577 1.00 0.00 H new ATOM 1052 N GLN A 73 0.607 12.087 8.307 1.00 0.00 N ATOM 1053 CA GLN A 73 1.889 12.734 8.517 1.00 0.00 C ATOM 1054 C GLN A 73 3.008 11.706 8.564 1.00 0.00 C ATOM 1055 O GLN A 73 4.079 11.914 7.996 1.00 0.00 O ATOM 1056 CB GLN A 73 1.881 13.536 9.811 1.00 0.00 C ATOM 1057 CG GLN A 73 2.973 14.586 9.862 1.00 0.00 C ATOM 1058 CD GLN A 73 3.082 15.262 11.215 1.00 0.00 C ATOM 1059 OE1 GLN A 73 3.417 16.445 11.300 1.00 0.00 O ATOM 1060 NE2 GLN A 73 2.826 14.519 12.282 1.00 0.00 N ATOM 0 H GLN A 73 -0.042 12.162 9.091 1.00 0.00 H new ATOM 0 HA GLN A 73 2.062 13.411 7.680 1.00 0.00 H new ATOM 0 HB2 GLN A 73 0.912 14.021 9.925 1.00 0.00 H new ATOM 0 HB3 GLN A 73 1.998 12.856 10.655 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.928 14.121 9.616 1.00 0.00 H new ATOM 0 HG3 GLN A 73 2.780 15.341 9.099 1.00 0.00 H new ATOM 0 HE21 GLN A 73 2.551 13.543 12.170 1.00 0.00 H new ATOM 0 HE22 GLN A 73 2.904 14.923 13.215 1.00 0.00 H new ATOM 1069 N GLN A 74 2.739 10.586 9.229 1.00 0.00 N ATOM 1070 CA GLN A 74 3.747 9.555 9.416 1.00 0.00 C ATOM 1071 C GLN A 74 4.188 8.975 8.078 1.00 0.00 C ATOM 1072 O GLN A 74 5.376 8.778 7.842 1.00 0.00 O ATOM 1073 CB GLN A 74 3.223 8.436 10.322 1.00 0.00 C ATOM 1074 CG GLN A 74 2.834 8.904 11.707 1.00 0.00 C ATOM 1075 CD GLN A 74 4.029 9.376 12.498 1.00 0.00 C ATOM 1076 OE1 GLN A 74 5.146 8.897 12.305 1.00 0.00 O ATOM 1077 NE2 GLN A 74 3.813 10.316 13.392 1.00 0.00 N ATOM 0 H GLN A 74 1.833 10.372 9.645 1.00 0.00 H new ATOM 0 HA GLN A 74 4.608 10.019 9.896 1.00 0.00 H new ATOM 0 HB2 GLN A 74 2.357 7.973 9.848 1.00 0.00 H new ATOM 0 HB3 GLN A 74 3.988 7.665 10.411 1.00 0.00 H new ATOM 0 HG2 GLN A 74 2.109 9.714 11.626 1.00 0.00 H new ATOM 0 HG3 GLN A 74 2.344 8.090 12.241 1.00 0.00 H new ATOM 0 HE21 GLN A 74 2.873 10.688 13.523 1.00 0.00 H new ATOM 0 HE22 GLN A 74 4.586 10.673 13.954 1.00 0.00 H new ATOM 1086 N VAL A 75 3.227 8.702 7.204 1.00 0.00 N ATOM 1087 CA VAL A 75 3.537 8.162 5.886 1.00 0.00 C ATOM 1088 C VAL A 75 4.183 9.202 4.974 1.00 0.00 C ATOM 1089 O VAL A 75 5.166 8.909 4.297 1.00 0.00 O ATOM 1090 CB VAL A 75 2.302 7.560 5.190 1.00 0.00 C ATOM 1091 CG1 VAL A 75 1.900 6.262 5.865 1.00 0.00 C ATOM 1092 CG2 VAL A 75 1.133 8.528 5.183 1.00 0.00 C ATOM 0 H VAL A 75 2.233 8.844 7.382 1.00 0.00 H new ATOM 0 HA VAL A 75 4.254 7.360 6.062 1.00 0.00 H new ATOM 0 HB VAL A 75 2.573 7.359 4.154 1.00 0.00 H new ATOM 0 HG11 VAL A 75 1.026 5.847 5.364 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.724 5.551 5.806 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.661 6.455 6.911 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.281 8.066 4.683 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.861 8.777 6.209 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.416 9.437 4.652 1.00 0.00 H new ATOM 1102 N VAL A 76 3.628 10.411 4.960 1.00 0.00 N ATOM 1103 CA VAL A 76 4.157 11.492 4.127 1.00 0.00 C ATOM 1104 C VAL A 76 5.610 11.798 4.484 1.00 0.00 C ATOM 1105 O VAL A 76 6.418 12.098 3.609 1.00 0.00 O ATOM 1106 CB VAL A 76 3.310 12.782 4.237 1.00 0.00 C ATOM 1107 CG1 VAL A 76 3.978 13.946 3.515 1.00 0.00 C ATOM 1108 CG2 VAL A 76 1.923 12.550 3.667 1.00 0.00 C ATOM 0 H VAL A 76 2.812 10.669 5.515 1.00 0.00 H new ATOM 0 HA VAL A 76 4.107 11.143 3.096 1.00 0.00 H new ATOM 0 HB VAL A 76 3.228 13.038 5.293 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.358 14.837 3.611 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.956 14.135 3.957 1.00 0.00 H new ATOM 0 HG13 VAL A 76 4.098 13.699 2.460 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.337 13.466 3.751 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.004 12.265 2.618 1.00 0.00 H new ATOM 0 HG23 VAL A 76 1.430 11.752 4.222 1.00 0.00 H new ATOM 1118 N SER A 77 5.939 11.696 5.767 1.00 0.00 N ATOM 1119 CA SER A 77 7.311 11.894 6.220 1.00 0.00 C ATOM 1120 C SER A 77 8.251 10.919 5.509 1.00 0.00 C ATOM 1121 O SER A 77 9.353 11.285 5.095 1.00 0.00 O ATOM 1122 CB SER A 77 7.386 11.700 7.737 1.00 0.00 C ATOM 1123 OG SER A 77 8.702 11.890 8.227 1.00 0.00 O ATOM 0 H SER A 77 5.276 11.478 6.511 1.00 0.00 H new ATOM 0 HA SER A 77 7.624 12.909 5.977 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.711 12.401 8.227 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.044 10.697 7.993 1.00 0.00 H new ATOM 0 HG SER A 77 8.711 11.760 9.198 1.00 0.00 H new ATOM 1129 N ARG A 78 7.795 9.683 5.356 1.00 0.00 N ATOM 1130 CA ARG A 78 8.565 8.656 4.664 1.00 0.00 C ATOM 1131 C ARG A 78 8.634 8.958 3.169 1.00 0.00 C ATOM 1132 O ARG A 78 9.661 8.739 2.526 1.00 0.00 O ATOM 1133 CB ARG A 78 7.936 7.286 4.896 1.00 0.00 C ATOM 1134 CG ARG A 78 7.526 7.061 6.338 1.00 0.00 C ATOM 1135 CD ARG A 78 6.938 5.677 6.549 1.00 0.00 C ATOM 1136 NE ARG A 78 6.310 5.546 7.865 1.00 0.00 N ATOM 1137 CZ ARG A 78 6.974 5.254 8.982 1.00 0.00 C ATOM 1138 NH1 ARG A 78 8.294 5.144 8.965 1.00 0.00 N ATOM 1139 NH2 ARG A 78 6.322 5.089 10.127 1.00 0.00 N ATOM 0 H ARG A 78 6.890 9.365 5.704 1.00 0.00 H new ATOM 0 HA ARG A 78 9.579 8.652 5.063 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.061 7.180 4.254 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.644 6.512 4.600 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.393 7.190 6.986 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.795 7.815 6.630 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.200 5.474 5.773 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.724 4.929 6.446 1.00 0.00 H new ATOM 0 HE ARG A 78 5.302 5.687 7.930 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.806 5.283 8.094 1.00 0.00 H new ATOM 0 HH12 ARG A 78 8.798 4.920 9.823 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.307 5.186 10.154 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.836 4.865 10.979 1.00 0.00 H new ATOM 1153 N ILE A 79 7.533 9.467 2.628 1.00 0.00 N ATOM 1154 CA ILE A 79 7.464 9.842 1.217 1.00 0.00 C ATOM 1155 C ILE A 79 8.427 10.992 0.925 1.00 0.00 C ATOM 1156 O ILE A 79 9.072 11.027 -0.122 1.00 0.00 O ATOM 1157 CB ILE A 79 6.027 10.249 0.816 1.00 0.00 C ATOM 1158 CG1 ILE A 79 5.053 9.104 1.113 1.00 0.00 C ATOM 1159 CG2 ILE A 79 5.968 10.632 -0.659 1.00 0.00 C ATOM 1160 CD1 ILE A 79 3.604 9.459 0.861 1.00 0.00 C ATOM 0 H ILE A 79 6.670 9.631 3.147 1.00 0.00 H new ATOM 0 HA ILE A 79 7.753 8.972 0.627 1.00 0.00 H new ATOM 0 HB ILE A 79 5.735 11.119 1.405 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.319 8.243 0.499 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.168 8.801 2.154 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.948 10.915 -0.921 1.00 0.00 H new ATOM 0 HG22 ILE A 79 6.637 11.473 -0.844 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.276 9.782 -1.268 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.973 8.601 1.093 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.320 10.299 1.494 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.473 9.733 -0.186 1.00 0.00 H new ATOM 1172 N ARG A 80 8.533 11.921 1.871 1.00 0.00 N ATOM 1173 CA ARG A 80 9.467 13.035 1.753 1.00 0.00 C ATOM 1174 C ARG A 80 10.908 12.545 1.847 1.00 0.00 C ATOM 1175 O ARG A 80 11.832 13.202 1.367 1.00 0.00 O ATOM 1176 CB ARG A 80 9.216 14.073 2.847 1.00 0.00 C ATOM 1177 CG ARG A 80 7.874 14.775 2.746 1.00 0.00 C ATOM 1178 CD ARG A 80 7.748 15.554 1.449 1.00 0.00 C ATOM 1179 NE ARG A 80 6.536 16.370 1.420 1.00 0.00 N ATOM 1180 CZ ARG A 80 5.976 16.845 0.308 1.00 0.00 C ATOM 1181 NH1 ARG A 80 6.503 16.574 -0.883 1.00 0.00 N ATOM 1182 NH2 ARG A 80 4.890 17.600 0.385 1.00 0.00 N ATOM 0 H ARG A 80 7.982 11.924 2.729 1.00 0.00 H new ATOM 0 HA ARG A 80 9.308 13.496 0.778 1.00 0.00 H new ATOM 0 HB2 ARG A 80 9.285 13.584 3.819 1.00 0.00 H new ATOM 0 HB3 ARG A 80 10.008 14.821 2.810 1.00 0.00 H new ATOM 0 HG2 ARG A 80 7.072 14.039 2.809 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.752 15.452 3.591 1.00 0.00 H new ATOM 0 HD2 ARG A 80 8.621 16.195 1.324 1.00 0.00 H new ATOM 0 HD3 ARG A 80 7.739 14.860 0.608 1.00 0.00 H new ATOM 0 HE ARG A 80 6.089 16.591 2.310 1.00 0.00 H new ATOM 0 HH11 ARG A 80 7.342 15.998 -0.950 1.00 0.00 H new ATOM 0 HH12 ARG A 80 6.068 16.942 -1.729 1.00 0.00 H new ATOM 0 HH21 ARG A 80 4.483 17.817 1.295 1.00 0.00 H new ATOM 0 HH22 ARG A 80 4.461 17.964 -0.466 1.00 0.00 H new ATOM 1196 N ALA A 81 11.091 11.390 2.475 1.00 0.00 N ATOM 1197 CA ALA A 81 12.417 10.811 2.635 1.00 0.00 C ATOM 1198 C ALA A 81 12.880 10.158 1.340 1.00 0.00 C ATOM 1199 O ALA A 81 14.077 9.978 1.122 1.00 0.00 O ATOM 1200 CB ALA A 81 12.428 9.800 3.774 1.00 0.00 C ATOM 0 H ALA A 81 10.337 10.836 2.882 1.00 0.00 H new ATOM 0 HA ALA A 81 13.111 11.615 2.881 1.00 0.00 H new ATOM 0 HB1 ALA A 81 13.428 9.379 3.877 1.00 0.00 H new ATOM 0 HB2 ALA A 81 12.145 10.295 4.703 1.00 0.00 H new ATOM 0 HB3 ALA A 81 11.718 9.001 3.558 1.00 0.00 H new ATOM 1206 N ALA A 82 11.923 9.805 0.487 1.00 0.00 N ATOM 1207 CA ALA A 82 12.227 9.231 -0.814 1.00 0.00 C ATOM 1208 C ALA A 82 12.943 10.254 -1.687 1.00 0.00 C ATOM 1209 O ALA A 82 12.474 11.382 -1.859 1.00 0.00 O ATOM 1210 CB ALA A 82 10.949 8.754 -1.485 1.00 0.00 C ATOM 0 H ALA A 82 10.926 9.908 0.678 1.00 0.00 H new ATOM 0 HA ALA A 82 12.887 8.374 -0.678 1.00 0.00 H new ATOM 0 HB1 ALA A 82 11.187 8.326 -2.459 1.00 0.00 H new ATOM 0 HB2 ALA A 82 10.472 7.997 -0.863 1.00 0.00 H new ATOM 0 HB3 ALA A 82 10.270 9.597 -1.616 1.00 0.00 H new ATOM 1216 N LEU A 83 14.081 9.849 -2.229 1.00 0.00 N ATOM 1217 CA LEU A 83 14.927 10.742 -3.007 1.00 0.00 C ATOM 1218 C LEU A 83 14.369 10.928 -4.407 1.00 0.00 C ATOM 1219 O LEU A 83 14.000 12.033 -4.804 1.00 0.00 O ATOM 1220 CB LEU A 83 16.361 10.201 -3.109 1.00 0.00 C ATOM 1221 CG LEU A 83 17.179 10.208 -1.813 1.00 0.00 C ATOM 1222 CD1 LEU A 83 16.673 9.156 -0.842 1.00 0.00 C ATOM 1223 CD2 LEU A 83 18.650 9.987 -2.122 1.00 0.00 C ATOM 0 H LEU A 83 14.443 8.899 -2.143 1.00 0.00 H new ATOM 0 HA LEU A 83 14.944 11.702 -2.491 1.00 0.00 H new ATOM 0 HB2 LEU A 83 16.316 9.177 -3.480 1.00 0.00 H new ATOM 0 HB3 LEU A 83 16.896 10.787 -3.856 1.00 0.00 H new ATOM 0 HG LEU A 83 17.062 11.183 -1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 83 17.272 9.183 0.069 1.00 0.00 H new ATOM 0 HD12 LEU A 83 15.630 9.358 -0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 83 16.753 8.170 -1.299 1.00 0.00 H new ATOM 0 HD21 LEU A 83 19.222 9.994 -1.194 1.00 0.00 H new ATOM 0 HD22 LEU A 83 18.777 9.025 -2.619 1.00 0.00 H new ATOM 0 HD23 LEU A 83 19.008 10.783 -2.775 1.00 0.00 H new ATOM 1235 N ASN A 84 14.302 9.833 -5.145 1.00 0.00 N ATOM 1236 CA ASN A 84 13.864 9.866 -6.532 1.00 0.00 C ATOM 1237 C ASN A 84 12.759 8.852 -6.789 1.00 0.00 C ATOM 1238 O ASN A 84 12.123 8.880 -7.837 1.00 0.00 O ATOM 1239 CB ASN A 84 15.047 9.620 -7.481 1.00 0.00 C ATOM 1240 CG ASN A 84 15.825 8.344 -7.178 1.00 0.00 C ATOM 1241 OD1 ASN A 84 15.279 7.348 -6.701 1.00 0.00 O ATOM 1242 ND2 ASN A 84 17.118 8.370 -7.452 1.00 0.00 N ATOM 0 H ASN A 84 14.547 8.903 -4.805 1.00 0.00 H new ATOM 0 HA ASN A 84 13.461 10.860 -6.727 1.00 0.00 H new ATOM 0 HB2 ASN A 84 14.676 9.573 -8.505 1.00 0.00 H new ATOM 0 HB3 ASN A 84 15.727 10.470 -7.427 1.00 0.00 H new ATOM 0 HD21 ASN A 84 17.695 7.549 -7.269 1.00 0.00 H new ATOM 0 HD22 ASN A 84 17.539 9.211 -7.847 1.00 0.00 H new ATOM 1249 N ALA A 85 12.546 7.948 -5.847 1.00 0.00 N ATOM 1250 CA ALA A 85 11.484 6.962 -5.971 1.00 0.00 C ATOM 1251 C ALA A 85 10.999 6.516 -4.602 1.00 0.00 C ATOM 1252 O ALA A 85 11.755 6.540 -3.630 1.00 0.00 O ATOM 1253 CB ALA A 85 11.956 5.772 -6.786 1.00 0.00 C ATOM 0 H ALA A 85 13.093 7.876 -4.989 1.00 0.00 H new ATOM 0 HA ALA A 85 10.646 7.426 -6.492 1.00 0.00 H new ATOM 0 HB1 ALA A 85 11.149 5.044 -6.869 1.00 0.00 H new ATOM 0 HB2 ALA A 85 12.247 6.106 -7.782 1.00 0.00 H new ATOM 0 HB3 ALA A 85 12.812 5.310 -6.294 1.00 0.00 H new ATOM 1259 N VAL A 86 9.746 6.099 -4.532 1.00 0.00 N ATOM 1260 CA VAL A 86 9.158 5.640 -3.286 1.00 0.00 C ATOM 1261 C VAL A 86 8.563 4.246 -3.483 1.00 0.00 C ATOM 1262 O VAL A 86 8.097 3.913 -4.577 1.00 0.00 O ATOM 1263 CB VAL A 86 8.059 6.618 -2.790 1.00 0.00 C ATOM 1264 CG1 VAL A 86 6.870 6.634 -3.739 1.00 0.00 C ATOM 1265 CG2 VAL A 86 7.606 6.273 -1.384 1.00 0.00 C ATOM 0 H VAL A 86 9.112 6.069 -5.331 1.00 0.00 H new ATOM 0 HA VAL A 86 9.942 5.602 -2.530 1.00 0.00 H new ATOM 0 HB VAL A 86 8.498 7.616 -2.771 1.00 0.00 H new ATOM 0 HG11 VAL A 86 6.116 7.328 -3.366 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.198 6.952 -4.728 1.00 0.00 H new ATOM 0 HG13 VAL A 86 6.442 5.633 -3.803 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.836 6.977 -1.067 1.00 0.00 H new ATOM 0 HG22 VAL A 86 7.201 5.261 -1.370 1.00 0.00 H new ATOM 0 HG23 VAL A 86 8.455 6.333 -0.703 1.00 0.00 H new ATOM 1275 N ARG A 87 8.601 3.420 -2.447 1.00 0.00 N ATOM 1276 CA ARG A 87 7.953 2.123 -2.512 1.00 0.00 C ATOM 1277 C ARG A 87 6.606 2.205 -1.838 1.00 0.00 C ATOM 1278 O ARG A 87 6.518 2.546 -0.660 1.00 0.00 O ATOM 1279 CB ARG A 87 8.761 1.026 -1.823 1.00 0.00 C ATOM 1280 CG ARG A 87 10.230 0.974 -2.190 1.00 0.00 C ATOM 1281 CD ARG A 87 10.815 -0.396 -1.882 1.00 0.00 C ATOM 1282 NE ARG A 87 10.147 -1.053 -0.749 1.00 0.00 N ATOM 1283 CZ ARG A 87 10.648 -2.099 -0.090 1.00 0.00 C ATOM 1284 NH1 ARG A 87 11.872 -2.537 -0.366 1.00 0.00 N ATOM 1285 NH2 ARG A 87 9.916 -2.712 0.837 1.00 0.00 N ATOM 0 H ARG A 87 9.068 3.623 -1.563 1.00 0.00 H new ATOM 0 HA ARG A 87 7.860 1.866 -3.567 1.00 0.00 H new ATOM 0 HB2 ARG A 87 8.678 1.160 -0.744 1.00 0.00 H new ATOM 0 HB3 ARG A 87 8.310 0.062 -2.060 1.00 0.00 H new ATOM 0 HG2 ARG A 87 10.353 1.197 -3.250 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.775 1.740 -1.638 1.00 0.00 H new ATOM 0 HD2 ARG A 87 10.732 -1.029 -2.765 1.00 0.00 H new ATOM 0 HD3 ARG A 87 11.878 -0.292 -1.662 1.00 0.00 H new ATOM 0 HE ARG A 87 9.244 -0.686 -0.448 1.00 0.00 H new ATOM 0 HH11 ARG A 87 12.430 -2.073 -1.083 1.00 0.00 H new ATOM 0 HH12 ARG A 87 12.253 -3.337 0.139 1.00 0.00 H new ATOM 0 HH21 ARG A 87 8.973 -2.382 1.043 1.00 0.00 H new ATOM 0 HH22 ARG A 87 10.298 -3.512 1.342 1.00 0.00 H new ATOM 1299 N LEU A 88 5.566 1.911 -2.580 1.00 0.00 N ATOM 1300 CA LEU A 88 4.235 1.933 -2.021 1.00 0.00 C ATOM 1301 C LEU A 88 3.564 0.580 -2.182 1.00 0.00 C ATOM 1302 O LEU A 88 3.331 0.117 -3.298 1.00 0.00 O ATOM 1303 CB LEU A 88 3.388 3.022 -2.680 1.00 0.00 C ATOM 1304 CG LEU A 88 3.914 4.447 -2.512 1.00 0.00 C ATOM 1305 CD1 LEU A 88 3.047 5.423 -3.286 1.00 0.00 C ATOM 1306 CD2 LEU A 88 3.964 4.832 -1.042 1.00 0.00 C ATOM 0 H LEU A 88 5.614 1.655 -3.566 1.00 0.00 H new ATOM 0 HA LEU A 88 4.320 2.156 -0.957 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.310 2.804 -3.745 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.379 2.973 -2.270 1.00 0.00 H new ATOM 0 HG LEU A 88 4.928 4.489 -2.910 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.433 6.434 -3.157 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.060 5.161 -4.344 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.024 5.375 -2.913 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.341 5.850 -0.945 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.962 4.774 -0.616 1.00 0.00 H new ATOM 0 HD23 LEU A 88 4.624 4.148 -0.509 1.00 0.00 H new ATOM 1318 N LEU A 89 3.271 -0.061 -1.070 1.00 0.00 N ATOM 1319 CA LEU A 89 2.556 -1.322 -1.090 1.00 0.00 C ATOM 1320 C LEU A 89 1.098 -1.088 -0.735 1.00 0.00 C ATOM 1321 O LEU A 89 0.791 -0.632 0.366 1.00 0.00 O ATOM 1322 CB LEU A 89 3.175 -2.305 -0.101 1.00 0.00 C ATOM 1323 CG LEU A 89 2.469 -3.656 -0.005 1.00 0.00 C ATOM 1324 CD1 LEU A 89 2.735 -4.502 -1.237 1.00 0.00 C ATOM 1325 CD2 LEU A 89 2.904 -4.386 1.246 1.00 0.00 C ATOM 0 H LEU A 89 3.517 0.271 -0.138 1.00 0.00 H new ATOM 0 HA LEU A 89 2.624 -1.746 -2.092 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.214 -2.474 -0.383 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.184 -1.846 0.887 1.00 0.00 H new ATOM 0 HG LEU A 89 1.395 -3.476 0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.220 -5.458 -1.140 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.370 -3.981 -2.122 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.807 -4.676 -1.335 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.393 -5.347 1.302 1.00 0.00 H new ATOM 0 HD22 LEU A 89 3.981 -4.548 1.216 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.651 -3.789 2.122 1.00 0.00 H new ATOM 1337 N VAL A 90 0.202 -1.384 -1.663 1.00 0.00 N ATOM 1338 CA VAL A 90 -1.219 -1.193 -1.423 1.00 0.00 C ATOM 1339 C VAL A 90 -2.012 -2.433 -1.803 1.00 0.00 C ATOM 1340 O VAL A 90 -1.597 -3.211 -2.661 1.00 0.00 O ATOM 1341 CB VAL A 90 -1.784 0.015 -2.201 1.00 0.00 C ATOM 1342 CG1 VAL A 90 -1.201 1.324 -1.698 1.00 0.00 C ATOM 1343 CG2 VAL A 90 -1.541 -0.140 -3.695 1.00 0.00 C ATOM 0 H VAL A 90 0.432 -1.756 -2.585 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.323 -1.002 -0.355 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.860 0.041 -2.027 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.621 2.152 -2.268 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.445 1.449 -0.643 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.118 1.311 -1.821 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.948 0.723 -4.221 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.470 -0.208 -3.884 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.031 -1.046 -4.051 1.00 0.00 H new ATOM 1353 N VAL A 91 -3.158 -2.601 -1.166 1.00 0.00 N ATOM 1354 CA VAL A 91 -4.019 -3.739 -1.429 1.00 0.00 C ATOM 1355 C VAL A 91 -5.487 -3.315 -1.369 1.00 0.00 C ATOM 1356 O VAL A 91 -5.844 -2.377 -0.646 1.00 0.00 O ATOM 1357 CB VAL A 91 -3.753 -4.892 -0.427 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -4.162 -4.499 0.981 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -4.461 -6.167 -0.869 1.00 0.00 C ATOM 0 H VAL A 91 -3.515 -1.959 -0.459 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.794 -4.106 -2.430 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.681 -5.088 -0.417 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.964 -5.327 1.662 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.590 -3.626 1.296 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.226 -4.262 0.998 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.260 -6.962 -0.151 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.535 -5.988 -0.921 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.095 -6.464 -1.852 1.00 0.00 H new ATOM 1369 N ASP A 92 -6.317 -3.987 -2.161 1.00 0.00 N ATOM 1370 CA ASP A 92 -7.758 -3.750 -2.180 1.00 0.00 C ATOM 1371 C ASP A 92 -8.355 -3.899 -0.782 1.00 0.00 C ATOM 1372 O ASP A 92 -8.128 -4.901 -0.104 1.00 0.00 O ATOM 1373 CB ASP A 92 -8.426 -4.735 -3.143 1.00 0.00 C ATOM 1374 CG ASP A 92 -9.934 -4.756 -3.008 1.00 0.00 C ATOM 1375 OD1 ASP A 92 -10.611 -3.923 -3.648 1.00 0.00 O ATOM 1376 OD2 ASP A 92 -10.449 -5.613 -2.261 1.00 0.00 O ATOM 0 H ASP A 92 -6.010 -4.712 -2.809 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.938 -2.730 -2.518 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -8.161 -4.471 -4.167 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.035 -5.736 -2.960 1.00 0.00 H new ATOM 1381 N PRO A 93 -9.135 -2.891 -0.352 1.00 0.00 N ATOM 1382 CA PRO A 93 -9.669 -2.801 1.016 1.00 0.00 C ATOM 1383 C PRO A 93 -10.582 -3.963 1.392 1.00 0.00 C ATOM 1384 O PRO A 93 -10.600 -4.393 2.546 1.00 0.00 O ATOM 1385 CB PRO A 93 -10.455 -1.485 1.015 1.00 0.00 C ATOM 1386 CG PRO A 93 -10.737 -1.205 -0.419 1.00 0.00 C ATOM 1387 CD PRO A 93 -9.561 -1.748 -1.175 1.00 0.00 C ATOM 0 HA PRO A 93 -8.865 -2.839 1.751 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -11.378 -1.576 1.588 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -9.877 -0.680 1.468 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -11.663 -1.684 -0.737 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -10.855 -0.136 -0.594 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.838 -2.058 -2.183 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.769 -1.006 -1.276 1.00 0.00 H new ATOM 1395 N GLU A 94 -11.334 -4.473 0.422 1.00 0.00 N ATOM 1396 CA GLU A 94 -12.237 -5.590 0.669 1.00 0.00 C ATOM 1397 C GLU A 94 -11.430 -6.861 0.883 1.00 0.00 C ATOM 1398 O GLU A 94 -11.705 -7.650 1.790 1.00 0.00 O ATOM 1399 CB GLU A 94 -13.208 -5.773 -0.503 1.00 0.00 C ATOM 1400 CG GLU A 94 -14.058 -4.547 -0.794 1.00 0.00 C ATOM 1401 CD GLU A 94 -15.080 -4.791 -1.887 1.00 0.00 C ATOM 1402 OE1 GLU A 94 -14.687 -4.904 -3.066 1.00 0.00 O ATOM 1403 OE2 GLU A 94 -16.288 -4.870 -1.571 1.00 0.00 O ATOM 0 H GLU A 94 -11.336 -4.132 -0.539 1.00 0.00 H new ATOM 0 HA GLU A 94 -12.821 -5.377 1.565 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -12.639 -6.030 -1.397 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -13.865 -6.616 -0.290 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -14.572 -4.242 0.117 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -13.409 -3.721 -1.086 1.00 0.00 H new ATOM 1410 N THR A 95 -10.423 -7.039 0.044 1.00 0.00 N ATOM 1411 CA THR A 95 -9.527 -8.175 0.146 1.00 0.00 C ATOM 1412 C THR A 95 -8.704 -8.100 1.430 1.00 0.00 C ATOM 1413 O THR A 95 -8.511 -9.098 2.115 1.00 0.00 O ATOM 1414 CB THR A 95 -8.576 -8.231 -1.063 1.00 0.00 C ATOM 1415 OG1 THR A 95 -9.329 -8.088 -2.275 1.00 0.00 O ATOM 1416 CG2 THR A 95 -7.806 -9.544 -1.087 1.00 0.00 C ATOM 0 H THR A 95 -10.206 -6.403 -0.723 1.00 0.00 H new ATOM 0 HA THR A 95 -10.138 -9.077 0.163 1.00 0.00 H new ATOM 0 HB THR A 95 -7.859 -7.414 -0.978 1.00 0.00 H new ATOM 0 HG1 THR A 95 -9.628 -7.159 -2.367 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.141 -9.560 -1.950 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.218 -9.638 -0.174 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.507 -10.376 -1.154 1.00 0.00 H new ATOM 1424 N ASP A 96 -8.242 -6.900 1.753 1.00 0.00 N ATOM 1425 CA ASP A 96 -7.414 -6.675 2.936 1.00 0.00 C ATOM 1426 C ASP A 96 -8.129 -7.094 4.213 1.00 0.00 C ATOM 1427 O ASP A 96 -7.537 -7.747 5.065 1.00 0.00 O ATOM 1428 CB ASP A 96 -7.015 -5.198 3.021 1.00 0.00 C ATOM 1429 CG ASP A 96 -6.385 -4.825 4.349 1.00 0.00 C ATOM 1430 OD1 ASP A 96 -5.220 -5.192 4.591 1.00 0.00 O ATOM 1431 OD2 ASP A 96 -7.060 -4.146 5.152 1.00 0.00 O ATOM 0 H ASP A 96 -8.427 -6.058 1.208 1.00 0.00 H new ATOM 0 HA ASP A 96 -6.520 -7.291 2.838 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -6.315 -4.971 2.217 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -7.898 -4.580 2.859 1.00 0.00 H new ATOM 1436 N GLU A 97 -9.412 -6.758 4.323 1.00 0.00 N ATOM 1437 CA GLU A 97 -10.169 -7.045 5.536 1.00 0.00 C ATOM 1438 C GLU A 97 -10.164 -8.542 5.844 1.00 0.00 C ATOM 1439 O GLU A 97 -9.925 -8.951 6.980 1.00 0.00 O ATOM 1440 CB GLU A 97 -11.607 -6.540 5.403 1.00 0.00 C ATOM 1441 CG GLU A 97 -12.416 -6.675 6.684 1.00 0.00 C ATOM 1442 CD GLU A 97 -13.850 -6.207 6.533 1.00 0.00 C ATOM 1443 OE1 GLU A 97 -14.712 -7.035 6.157 1.00 0.00 O ATOM 1444 OE2 GLU A 97 -14.125 -5.023 6.814 1.00 0.00 O ATOM 0 H GLU A 97 -9.946 -6.289 3.591 1.00 0.00 H new ATOM 0 HA GLU A 97 -9.687 -6.523 6.363 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -11.590 -5.493 5.102 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -12.106 -7.093 4.607 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -12.412 -7.718 7.001 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -11.933 -6.100 7.474 1.00 0.00 H new ATOM 1451 N GLN A 98 -10.432 -9.358 4.833 1.00 0.00 N ATOM 1452 CA GLN A 98 -10.406 -10.807 4.997 1.00 0.00 C ATOM 1453 C GLN A 98 -8.966 -11.321 5.115 1.00 0.00 C ATOM 1454 O GLN A 98 -8.682 -12.222 5.895 1.00 0.00 O ATOM 1455 CB GLN A 98 -11.149 -11.497 3.846 1.00 0.00 C ATOM 1456 CG GLN A 98 -10.563 -11.218 2.474 1.00 0.00 C ATOM 1457 CD GLN A 98 -11.463 -11.677 1.346 1.00 0.00 C ATOM 1458 OE1 GLN A 98 -12.689 -11.680 1.473 1.00 0.00 O ATOM 1459 NE2 GLN A 98 -10.864 -12.064 0.235 1.00 0.00 N ATOM 0 H GLN A 98 -10.669 -9.043 3.892 1.00 0.00 H new ATOM 0 HA GLN A 98 -10.922 -11.053 5.925 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -11.145 -12.573 4.019 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -12.191 -11.176 3.856 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -10.379 -10.148 2.373 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -9.598 -11.717 2.388 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -9.846 -12.046 0.171 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -11.419 -12.381 -0.560 1.00 0.00 H new ATOM 1468 N LEU A 99 -8.064 -10.734 4.339 1.00 0.00 N ATOM 1469 CA LEU A 99 -6.677 -11.177 4.277 1.00 0.00 C ATOM 1470 C LEU A 99 -5.937 -10.956 5.607 1.00 0.00 C ATOM 1471 O LEU A 99 -5.163 -11.810 6.041 1.00 0.00 O ATOM 1472 CB LEU A 99 -5.975 -10.422 3.144 1.00 0.00 C ATOM 1473 CG LEU A 99 -5.152 -11.266 2.165 1.00 0.00 C ATOM 1474 CD1 LEU A 99 -3.844 -11.704 2.797 1.00 0.00 C ATOM 1475 CD2 LEU A 99 -5.938 -12.478 1.675 1.00 0.00 C ATOM 0 H LEU A 99 -8.273 -9.939 3.736 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.663 -12.250 4.086 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -6.731 -9.881 2.575 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -5.316 -9.676 3.588 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.928 -10.640 1.301 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.277 -12.302 2.083 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.263 -10.825 3.077 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -4.051 -12.300 3.686 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -5.324 -13.054 0.983 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -6.210 -13.103 2.525 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -6.842 -12.144 1.166 1.00 0.00 H new ATOM 1487 N GLN A 100 -6.187 -9.819 6.255 1.00 0.00 N ATOM 1488 CA GLN A 100 -5.453 -9.447 7.469 1.00 0.00 C ATOM 1489 C GLN A 100 -5.736 -10.391 8.636 1.00 0.00 C ATOM 1490 O GLN A 100 -4.830 -10.720 9.403 1.00 0.00 O ATOM 1491 CB GLN A 100 -5.738 -7.984 7.863 1.00 0.00 C ATOM 1492 CG GLN A 100 -7.206 -7.625 8.066 1.00 0.00 C ATOM 1493 CD GLN A 100 -7.745 -8.000 9.432 1.00 0.00 C ATOM 1494 OE1 GLN A 100 -7.022 -8.001 10.427 1.00 0.00 O ATOM 1495 NE2 GLN A 100 -9.020 -8.341 9.483 1.00 0.00 N ATOM 0 H GLN A 100 -6.890 -9.140 5.963 1.00 0.00 H new ATOM 0 HA GLN A 100 -4.393 -9.541 7.235 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.199 -7.764 8.785 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -5.328 -7.333 7.091 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -7.332 -6.552 7.918 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.801 -8.124 7.301 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -9.586 -8.327 8.635 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -9.439 -8.618 10.371 1.00 0.00 H new ATOM 1504 N LYS A 101 -6.976 -10.851 8.756 1.00 0.00 N ATOM 1505 CA LYS A 101 -7.361 -11.731 9.856 1.00 0.00 C ATOM 1506 C LYS A 101 -6.756 -13.118 9.672 1.00 0.00 C ATOM 1507 O LYS A 101 -6.675 -13.909 10.613 1.00 0.00 O ATOM 1508 CB LYS A 101 -8.885 -11.815 9.985 1.00 0.00 C ATOM 1509 CG LYS A 101 -9.592 -12.192 8.697 1.00 0.00 C ATOM 1510 CD LYS A 101 -11.100 -12.249 8.873 1.00 0.00 C ATOM 1511 CE LYS A 101 -11.523 -13.430 9.733 1.00 0.00 C ATOM 1512 NZ LYS A 101 -12.999 -13.522 9.852 1.00 0.00 N ATOM 0 H LYS A 101 -7.732 -10.631 8.107 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.969 -11.307 10.781 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.135 -12.547 10.753 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.264 -10.852 10.328 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.344 -11.467 7.922 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.230 -13.161 8.355 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.448 -11.323 9.330 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -11.578 -12.321 7.896 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.135 -14.352 9.301 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.083 -13.333 10.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.249 -14.339 10.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -13.367 -12.652 10.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -13.417 -13.640 8.907 1.00 0.00 H new ATOM 1526 N LEU A 102 -6.335 -13.404 8.448 1.00 0.00 N ATOM 1527 CA LEU A 102 -5.712 -14.678 8.128 1.00 0.00 C ATOM 1528 C LEU A 102 -4.245 -14.693 8.563 1.00 0.00 C ATOM 1529 O LEU A 102 -3.559 -15.709 8.445 1.00 0.00 O ATOM 1530 CB LEU A 102 -5.835 -14.956 6.628 1.00 0.00 C ATOM 1531 CG LEU A 102 -7.273 -15.003 6.100 1.00 0.00 C ATOM 1532 CD1 LEU A 102 -7.289 -15.107 4.583 1.00 0.00 C ATOM 1533 CD2 LEU A 102 -8.033 -16.168 6.719 1.00 0.00 C ATOM 0 H LEU A 102 -6.415 -12.766 7.657 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.229 -15.466 8.675 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -5.288 -14.186 6.084 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.351 -15.907 6.408 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.768 -14.075 6.385 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -8.320 -15.139 4.231 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.786 -14.241 4.154 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.772 -16.016 4.275 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -9.052 -16.185 6.332 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.534 -17.103 6.467 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.059 -16.051 7.802 1.00 0.00 H new ATOM 1545 N GLY A 103 -3.780 -13.549 9.068 1.00 0.00 N ATOM 1546 CA GLY A 103 -2.436 -13.449 9.610 1.00 0.00 C ATOM 1547 C GLY A 103 -1.359 -13.533 8.548 1.00 0.00 C ATOM 1548 O GLY A 103 -0.326 -14.173 8.750 1.00 0.00 O ATOM 0 H GLY A 103 -4.318 -12.683 9.110 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -2.336 -12.505 10.146 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.284 -14.246 10.337 1.00 0.00 H new ATOM 1552 N VAL A 104 -1.588 -12.869 7.428 1.00 0.00 N ATOM 1553 CA VAL A 104 -0.673 -12.938 6.300 1.00 0.00 C ATOM 1554 C VAL A 104 0.324 -11.781 6.311 1.00 0.00 C ATOM 1555 O VAL A 104 -0.042 -10.636 6.566 1.00 0.00 O ATOM 1556 CB VAL A 104 -1.451 -12.937 4.971 1.00 0.00 C ATOM 1557 CG1 VAL A 104 -0.503 -12.948 3.783 1.00 0.00 C ATOM 1558 CG2 VAL A 104 -2.398 -14.128 4.916 1.00 0.00 C ATOM 0 H VAL A 104 -2.402 -12.274 7.275 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.116 -13.870 6.393 1.00 0.00 H new ATOM 0 HB VAL A 104 -2.039 -12.021 4.919 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -1.079 -12.947 2.858 1.00 0.00 H new ATOM 0 HG12 VAL A 104 0.132 -12.063 3.816 1.00 0.00 H new ATOM 0 HG13 VAL A 104 0.119 -13.842 3.822 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -2.943 -14.117 3.972 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -1.825 -15.052 4.993 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -3.105 -14.069 5.743 1.00 0.00 H new ATOM 1568 N GLN A 105 1.584 -12.093 6.015 1.00 0.00 N ATOM 1569 CA GLN A 105 2.649 -11.093 5.969 1.00 0.00 C ATOM 1570 C GLN A 105 2.619 -10.303 4.659 1.00 0.00 C ATOM 1571 O GLN A 105 3.625 -10.214 3.950 1.00 0.00 O ATOM 1572 CB GLN A 105 4.013 -11.772 6.130 1.00 0.00 C ATOM 1573 CG GLN A 105 4.230 -12.404 7.494 1.00 0.00 C ATOM 1574 CD GLN A 105 4.356 -11.378 8.606 1.00 0.00 C ATOM 1575 OE1 GLN A 105 3.778 -10.294 8.538 1.00 0.00 O ATOM 1576 NE2 GLN A 105 5.121 -11.706 9.631 1.00 0.00 N ATOM 0 H GLN A 105 1.895 -13.041 5.801 1.00 0.00 H new ATOM 0 HA GLN A 105 2.487 -10.395 6.791 1.00 0.00 H new ATOM 0 HB2 GLN A 105 4.118 -12.540 5.364 1.00 0.00 H new ATOM 0 HB3 GLN A 105 4.797 -11.036 5.953 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.398 -13.073 7.716 1.00 0.00 H new ATOM 0 HG3 GLN A 105 5.132 -13.015 7.466 1.00 0.00 H new ATOM 0 HE21 GLN A 105 5.584 -12.615 9.652 1.00 0.00 H new ATOM 0 HE22 GLN A 105 5.249 -11.051 10.402 1.00 0.00 H new ATOM 1585 N VAL A 106 1.467 -9.715 4.355 1.00 0.00 N ATOM 1586 CA VAL A 106 1.273 -8.962 3.114 1.00 0.00 C ATOM 1587 C VAL A 106 2.232 -7.774 3.010 1.00 0.00 C ATOM 1588 O VAL A 106 2.611 -7.377 1.912 1.00 0.00 O ATOM 1589 CB VAL A 106 -0.199 -8.478 2.988 1.00 0.00 C ATOM 1590 CG1 VAL A 106 -0.308 -7.110 2.317 1.00 0.00 C ATOM 1591 CG2 VAL A 106 -1.015 -9.501 2.213 1.00 0.00 C ATOM 0 H VAL A 106 0.643 -9.744 4.956 1.00 0.00 H new ATOM 0 HA VAL A 106 1.495 -9.639 2.289 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.594 -8.375 3.999 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -1.356 -6.818 2.254 1.00 0.00 H new ATOM 0 HG12 VAL A 106 0.239 -6.372 2.904 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.115 -7.162 1.314 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -2.045 -9.156 2.128 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.591 -9.625 1.217 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -0.994 -10.456 2.738 1.00 0.00 H new ATOM 1601 N ARG A 107 2.665 -7.262 4.157 1.00 0.00 N ATOM 1602 CA ARG A 107 3.413 -6.005 4.212 1.00 0.00 C ATOM 1603 C ARG A 107 4.793 -6.064 3.537 1.00 0.00 C ATOM 1604 O ARG A 107 5.458 -5.033 3.446 1.00 0.00 O ATOM 1605 CB ARG A 107 3.541 -5.494 5.658 1.00 0.00 C ATOM 1606 CG ARG A 107 4.194 -6.455 6.653 1.00 0.00 C ATOM 1607 CD ARG A 107 3.247 -7.565 7.097 1.00 0.00 C ATOM 1608 NE ARG A 107 1.957 -7.054 7.572 1.00 0.00 N ATOM 1609 CZ ARG A 107 1.113 -7.741 8.349 1.00 0.00 C ATOM 1610 NH1 ARG A 107 1.438 -8.946 8.806 1.00 0.00 N ATOM 1611 NH2 ARG A 107 -0.054 -7.210 8.679 1.00 0.00 N ATOM 0 H ARG A 107 2.511 -7.698 5.066 1.00 0.00 H new ATOM 0 HA ARG A 107 2.823 -5.296 3.631 1.00 0.00 H new ATOM 0 HB2 ARG A 107 4.117 -4.569 5.646 1.00 0.00 H new ATOM 0 HB3 ARG A 107 2.545 -5.245 6.024 1.00 0.00 H new ATOM 0 HG2 ARG A 107 5.080 -6.898 6.198 1.00 0.00 H new ATOM 0 HG3 ARG A 107 4.529 -5.896 7.527 1.00 0.00 H new ATOM 0 HD2 ARG A 107 3.078 -8.247 6.264 1.00 0.00 H new ATOM 0 HD3 ARG A 107 3.719 -8.143 7.892 1.00 0.00 H new ATOM 0 HE ARG A 107 1.686 -6.112 7.291 1.00 0.00 H new ATOM 0 HH11 ARG A 107 2.340 -9.357 8.565 1.00 0.00 H new ATOM 0 HH12 ARG A 107 0.785 -9.460 9.398 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -0.306 -6.281 8.341 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -0.702 -7.730 9.271 1.00 0.00 H new ATOM 1625 N GLU A 108 5.212 -7.251 3.080 1.00 0.00 N ATOM 1626 CA GLU A 108 6.422 -7.403 2.248 1.00 0.00 C ATOM 1627 C GLU A 108 6.802 -8.869 2.118 1.00 0.00 C ATOM 1628 O GLU A 108 7.027 -9.369 1.016 1.00 0.00 O ATOM 1629 CB GLU A 108 7.630 -6.646 2.821 1.00 0.00 C ATOM 1630 CG GLU A 108 8.850 -6.671 1.910 1.00 0.00 C ATOM 1631 CD GLU A 108 10.097 -6.131 2.580 1.00 0.00 C ATOM 1632 OE1 GLU A 108 10.764 -6.900 3.304 1.00 0.00 O ATOM 1633 OE2 GLU A 108 10.430 -4.941 2.378 1.00 0.00 O ATOM 0 H GLU A 108 4.729 -8.129 3.272 1.00 0.00 H new ATOM 0 HA GLU A 108 6.174 -6.981 1.274 1.00 0.00 H new ATOM 0 HB2 GLU A 108 7.345 -5.610 3.006 1.00 0.00 H new ATOM 0 HB3 GLU A 108 7.897 -7.080 3.785 1.00 0.00 H new ATOM 0 HG2 GLU A 108 9.033 -7.695 1.584 1.00 0.00 H new ATOM 0 HG3 GLU A 108 8.641 -6.084 1.015 1.00 0.00 H new ATOM 1640 N GLU A 109 6.872 -9.545 3.257 1.00 0.00 N ATOM 1641 CA GLU A 109 7.371 -10.913 3.329 1.00 0.00 C ATOM 1642 C GLU A 109 6.614 -11.861 2.393 1.00 0.00 C ATOM 1643 O GLU A 109 7.214 -12.740 1.773 1.00 0.00 O ATOM 1644 CB GLU A 109 7.283 -11.403 4.775 1.00 0.00 C ATOM 1645 CG GLU A 109 8.016 -12.703 5.039 1.00 0.00 C ATOM 1646 CD GLU A 109 7.951 -13.103 6.495 1.00 0.00 C ATOM 1647 OE1 GLU A 109 8.683 -12.504 7.315 1.00 0.00 O ATOM 1648 OE2 GLU A 109 7.159 -14.004 6.831 1.00 0.00 O ATOM 0 H GLU A 109 6.585 -9.161 4.157 1.00 0.00 H new ATOM 0 HA GLU A 109 8.409 -10.912 2.998 1.00 0.00 H new ATOM 0 HB2 GLU A 109 7.686 -10.633 5.432 1.00 0.00 H new ATOM 0 HB3 GLU A 109 6.233 -11.531 5.040 1.00 0.00 H new ATOM 0 HG2 GLU A 109 7.584 -13.494 4.426 1.00 0.00 H new ATOM 0 HG3 GLU A 109 9.058 -12.599 4.737 1.00 0.00 H new ATOM 1655 N LEU A 110 5.305 -11.668 2.266 1.00 0.00 N ATOM 1656 CA LEU A 110 4.484 -12.551 1.440 1.00 0.00 C ATOM 1657 C LEU A 110 4.865 -12.431 -0.034 1.00 0.00 C ATOM 1658 O LEU A 110 4.727 -13.385 -0.797 1.00 0.00 O ATOM 1659 CB LEU A 110 2.992 -12.250 1.646 1.00 0.00 C ATOM 1660 CG LEU A 110 2.010 -13.330 1.158 1.00 0.00 C ATOM 1661 CD1 LEU A 110 1.723 -13.193 -0.331 1.00 0.00 C ATOM 1662 CD2 LEU A 110 2.551 -14.723 1.467 1.00 0.00 C ATOM 0 H LEU A 110 4.791 -10.913 2.721 1.00 0.00 H new ATOM 0 HA LEU A 110 4.671 -13.579 1.751 1.00 0.00 H new ATOM 0 HB2 LEU A 110 2.819 -12.084 2.709 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.757 -11.316 1.135 1.00 0.00 H new ATOM 0 HG LEU A 110 1.071 -13.189 1.693 1.00 0.00 H new ATOM 0 HD11 LEU A 110 1.026 -13.972 -0.640 1.00 0.00 H new ATOM 0 HD12 LEU A 110 1.285 -12.215 -0.529 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.652 -13.294 -0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 110 1.844 -15.474 1.115 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.508 -14.862 0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.688 -14.830 2.543 1.00 0.00 H new ATOM 1674 N LEU A 111 5.392 -11.274 -0.415 1.00 0.00 N ATOM 1675 CA LEU A 111 5.754 -11.023 -1.804 1.00 0.00 C ATOM 1676 C LEU A 111 6.907 -11.916 -2.253 1.00 0.00 C ATOM 1677 O LEU A 111 7.221 -11.983 -3.443 1.00 0.00 O ATOM 1678 CB LEU A 111 6.120 -9.553 -2.031 1.00 0.00 C ATOM 1679 CG LEU A 111 4.942 -8.577 -2.164 1.00 0.00 C ATOM 1680 CD1 LEU A 111 4.224 -8.366 -0.839 1.00 0.00 C ATOM 1681 CD2 LEU A 111 5.425 -7.250 -2.718 1.00 0.00 C ATOM 0 H LEU A 111 5.578 -10.496 0.218 1.00 0.00 H new ATOM 0 HA LEU A 111 4.876 -11.261 -2.405 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.747 -9.223 -1.202 1.00 0.00 H new ATOM 0 HB3 LEU A 111 6.725 -9.486 -2.935 1.00 0.00 H new ATOM 0 HG LEU A 111 4.225 -9.019 -2.856 1.00 0.00 H new ATOM 0 HD11 LEU A 111 3.398 -7.669 -0.980 1.00 0.00 H new ATOM 0 HD12 LEU A 111 3.837 -9.319 -0.479 1.00 0.00 H new ATOM 0 HD13 LEU A 111 4.922 -7.959 -0.108 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.582 -6.565 -2.808 1.00 0.00 H new ATOM 0 HD22 LEU A 111 6.168 -6.824 -2.045 1.00 0.00 H new ATOM 0 HD23 LEU A 111 5.872 -7.407 -3.700 1.00 0.00 H new