USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 689 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 32 TYR OH : rot -48:sc= 0.183 USER MOD Set 1.2: A 40 CYS SG : rot -163:sc= 0.0262 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl -105:sc= -0.187 (180deg=-2.38) USER MOD Single : A 17 ASN : amide:sc= 0.00611 X(o=0.0061,f=-0.12) USER MOD Single : A 18 MET CE :methyl -174:sc= -0.115 (180deg=-0.23) USER MOD Single : A 20 ASN : amide:sc= -0.115 K(o=-0.11,f=-1.8!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc=-0.00182 USER MOD Single : A 56 LYS NZ :NH3+ -124:sc= 0.278 (180deg=-0.455) USER MOD Single : A 59 SER OG : rot 180:sc= -0.183 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HE2:sc= -2.16 X(o=-2.2,f=-2.2!) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.422 USER MOD Single : A 70 TYR OH : rot 56:sc= 1.33 USER MOD Single : A 72 ASN : amide:sc= -0.0728 X(o=-0.073,f=-0.074) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.521 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= -0.934 USER MOD Single : A 89 SER OG : rot -160:sc= 0.443 USER MOD Single : A 90 THR OG1 : rot -16:sc= 1.3 USER MOD Single : A 96 GLN : amide:sc= -0.0205 X(o=-0.02,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 104 N LEU A 11 -2.313 -12.295 7.460 1.00 0.00 N ATOM 105 CA LEU A 11 -2.861 -11.095 6.838 1.00 0.00 C ATOM 106 C LEU A 11 -4.343 -11.271 6.525 1.00 0.00 C ATOM 107 O LEU A 11 -5.154 -10.387 6.798 1.00 0.00 O ATOM 108 CB LEU A 11 -2.093 -10.764 5.557 1.00 0.00 C ATOM 109 CG LEU A 11 -2.353 -9.382 4.956 1.00 0.00 C ATOM 110 CD1 LEU A 11 -1.743 -8.297 5.830 1.00 0.00 C ATOM 111 CD2 LEU A 11 -1.800 -9.303 3.541 1.00 0.00 C ATOM 0 HA LEU A 11 -2.753 -10.270 7.542 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.026 -10.853 5.763 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.337 -11.516 4.807 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.430 -9.222 4.913 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.938 -7.320 5.387 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.186 -8.339 6.825 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.667 -8.453 5.906 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.994 -8.313 3.129 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.725 -9.484 3.560 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.284 -10.056 2.919 1.00 0.00 H new ATOM 123 N GLU A 12 -4.689 -12.420 5.952 1.00 0.00 N ATOM 124 CA GLU A 12 -6.074 -12.712 5.604 1.00 0.00 C ATOM 125 C GLU A 12 -6.985 -12.557 6.818 1.00 0.00 C ATOM 126 O GLU A 12 -8.143 -12.157 6.693 1.00 0.00 O ATOM 127 CB GLU A 12 -6.194 -14.130 5.042 1.00 0.00 C ATOM 128 CG GLU A 12 -6.033 -14.202 3.532 1.00 0.00 C ATOM 129 CD GLU A 12 -6.942 -13.233 2.802 1.00 0.00 C ATOM 130 OE1 GLU A 12 -8.175 -13.422 2.856 1.00 0.00 O ATOM 131 OE2 GLU A 12 -6.421 -12.287 2.176 1.00 0.00 O ATOM 0 H GLU A 12 -4.030 -13.163 5.719 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.388 -11.998 4.842 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.440 -14.762 5.510 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.167 -14.539 5.315 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.996 -13.989 3.270 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.245 -15.217 3.196 1.00 0.00 H new ATOM 138 N LYS A 13 -6.455 -12.876 7.993 1.00 0.00 N ATOM 139 CA LYS A 13 -7.217 -12.772 9.232 1.00 0.00 C ATOM 140 C LYS A 13 -7.559 -11.317 9.539 1.00 0.00 C ATOM 141 O LYS A 13 -8.730 -10.934 9.556 1.00 0.00 O ATOM 142 CB LYS A 13 -6.427 -13.378 10.394 1.00 0.00 C ATOM 143 CG LYS A 13 -5.646 -14.623 10.014 1.00 0.00 C ATOM 144 CD LYS A 13 -5.340 -15.482 11.230 1.00 0.00 C ATOM 145 CE LYS A 13 -4.869 -14.637 12.404 1.00 0.00 C ATOM 146 NZ LYS A 13 -4.472 -15.478 13.568 1.00 0.00 N ATOM 0 H LYS A 13 -5.499 -13.209 8.114 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.147 -13.327 9.105 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.736 -12.630 10.782 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.116 -13.624 11.202 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.217 -15.205 9.291 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.714 -14.335 9.527 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.231 -16.040 11.516 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.573 -16.214 10.976 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.023 -14.023 12.094 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.665 -13.955 12.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.157 -14.866 14.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.286 -16.045 13.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.695 -16.111 13.290 1.00 0.00 H new ATOM 160 N LEU A 14 -6.532 -10.511 9.780 1.00 0.00 N ATOM 161 CA LEU A 14 -6.723 -9.097 10.086 1.00 0.00 C ATOM 162 C LEU A 14 -7.526 -8.407 8.987 1.00 0.00 C ATOM 163 O LEU A 14 -8.548 -7.776 9.255 1.00 0.00 O ATOM 164 CB LEU A 14 -5.371 -8.404 10.257 1.00 0.00 C ATOM 165 CG LEU A 14 -5.417 -6.946 10.715 1.00 0.00 C ATOM 166 CD1 LEU A 14 -5.385 -6.863 12.233 1.00 0.00 C ATOM 167 CD2 LEU A 14 -4.261 -6.161 10.112 1.00 0.00 C ATOM 0 H LEU A 14 -5.557 -10.812 9.770 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.281 -9.025 11.020 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.783 -8.972 10.978 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.840 -8.449 9.306 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.351 -6.505 10.367 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.418 -5.818 12.541 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.246 -7.390 12.644 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.468 -7.321 12.603 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.310 -5.125 10.449 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.316 -6.602 10.430 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.328 -6.192 9.025 1.00 0.00 H new ATOM 179 N MET A 15 -7.057 -8.534 7.750 1.00 0.00 N ATOM 180 CA MET A 15 -7.733 -7.925 6.611 1.00 0.00 C ATOM 181 C MET A 15 -9.191 -8.369 6.543 1.00 0.00 C ATOM 182 O MET A 15 -10.065 -7.600 6.145 1.00 0.00 O ATOM 183 CB MET A 15 -7.016 -8.290 5.310 1.00 0.00 C ATOM 184 CG MET A 15 -5.682 -7.583 5.133 1.00 0.00 C ATOM 185 SD MET A 15 -5.854 -5.791 5.030 1.00 0.00 S ATOM 186 CE MET A 15 -4.642 -5.265 6.240 1.00 0.00 C ATOM 0 H MET A 15 -6.212 -9.053 7.511 1.00 0.00 H new ATOM 0 HA MET A 15 -7.706 -6.843 6.741 1.00 0.00 H new ATOM 0 HB2 MET A 15 -6.853 -9.367 5.284 1.00 0.00 H new ATOM 0 HB3 MET A 15 -7.662 -8.045 4.467 1.00 0.00 H new ATOM 0 HG2 MET A 15 -5.029 -7.834 5.969 1.00 0.00 H new ATOM 0 HG3 MET A 15 -5.198 -7.950 4.228 1.00 0.00 H new ATOM 0 HE1 MET A 15 -5.152 -4.930 7.144 1.00 0.00 H new ATOM 0 HE2 MET A 15 -3.984 -6.100 6.482 1.00 0.00 H new ATOM 0 HE3 MET A 15 -4.052 -4.445 5.831 1.00 0.00 H new ATOM 196 N GLU A 16 -9.445 -9.614 6.935 1.00 0.00 N ATOM 197 CA GLU A 16 -10.797 -10.159 6.917 1.00 0.00 C ATOM 198 C GLU A 16 -11.696 -9.417 7.902 1.00 0.00 C ATOM 199 O GLU A 16 -12.878 -9.200 7.638 1.00 0.00 O ATOM 200 CB GLU A 16 -10.774 -11.651 7.254 1.00 0.00 C ATOM 201 CG GLU A 16 -12.152 -12.238 7.512 1.00 0.00 C ATOM 202 CD GLU A 16 -12.882 -12.596 6.232 1.00 0.00 C ATOM 203 OE1 GLU A 16 -13.404 -11.676 5.569 1.00 0.00 O ATOM 204 OE2 GLU A 16 -12.931 -13.797 5.893 1.00 0.00 O ATOM 0 H GLU A 16 -8.733 -10.263 7.269 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.201 -10.027 5.913 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.305 -12.193 6.433 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.151 -11.806 8.135 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -12.053 -13.130 8.131 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -12.748 -11.522 8.078 1.00 0.00 H new ATOM 211 N ASN A 17 -11.126 -9.031 9.039 1.00 0.00 N ATOM 212 CA ASN A 17 -11.875 -8.315 10.065 1.00 0.00 C ATOM 213 C ASN A 17 -12.110 -6.865 9.654 1.00 0.00 C ATOM 214 O ASN A 17 -13.183 -6.309 9.887 1.00 0.00 O ATOM 215 CB ASN A 17 -11.128 -8.365 11.399 1.00 0.00 C ATOM 216 CG ASN A 17 -11.153 -9.746 12.025 1.00 0.00 C ATOM 217 OD1 ASN A 17 -12.134 -10.135 12.659 1.00 0.00 O ATOM 218 ND2 ASN A 17 -10.070 -10.495 11.849 1.00 0.00 N ATOM 0 H ASN A 17 -10.148 -9.202 9.273 1.00 0.00 H new ATOM 0 HA ASN A 17 -12.843 -8.802 10.180 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.094 -8.058 11.245 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.574 -7.648 12.089 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.029 -11.433 12.247 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.280 -10.132 11.316 1.00 0.00 H new ATOM 225 N MET A 18 -11.098 -6.258 9.042 1.00 0.00 N ATOM 226 CA MET A 18 -11.195 -4.872 8.597 1.00 0.00 C ATOM 227 C MET A 18 -12.132 -4.750 7.400 1.00 0.00 C ATOM 228 O MET A 18 -13.068 -3.950 7.412 1.00 0.00 O ATOM 229 CB MET A 18 -9.811 -4.333 8.233 1.00 0.00 C ATOM 230 CG MET A 18 -9.840 -2.934 7.638 1.00 0.00 C ATOM 231 SD MET A 18 -8.227 -2.402 7.034 1.00 0.00 S ATOM 232 CE MET A 18 -8.151 -3.265 5.466 1.00 0.00 C ATOM 0 H MET A 18 -10.202 -6.703 8.843 1.00 0.00 H new ATOM 0 HA MET A 18 -11.603 -4.281 9.417 1.00 0.00 H new ATOM 0 HB2 MET A 18 -9.186 -4.326 9.126 1.00 0.00 H new ATOM 0 HB3 MET A 18 -9.341 -5.012 7.521 1.00 0.00 H new ATOM 0 HG2 MET A 18 -10.558 -2.907 6.818 1.00 0.00 H new ATOM 0 HG3 MET A 18 -10.191 -2.230 8.392 1.00 0.00 H new ATOM 0 HE1 MET A 18 -7.167 -3.123 5.020 1.00 0.00 H new ATOM 0 HE2 MET A 18 -8.326 -4.329 5.627 1.00 0.00 H new ATOM 0 HE3 MET A 18 -8.914 -2.869 4.796 1.00 0.00 H new ATOM 242 N ARG A 19 -11.875 -5.548 6.369 1.00 0.00 N ATOM 243 CA ARG A 19 -12.696 -5.527 5.164 1.00 0.00 C ATOM 244 C ARG A 19 -14.180 -5.496 5.517 1.00 0.00 C ATOM 245 O ARG A 19 -14.992 -4.941 4.778 1.00 0.00 O ATOM 246 CB ARG A 19 -12.393 -6.749 4.294 1.00 0.00 C ATOM 247 CG ARG A 19 -11.080 -6.647 3.535 1.00 0.00 C ATOM 248 CD ARG A 19 -10.796 -7.912 2.740 1.00 0.00 C ATOM 249 NE ARG A 19 -10.279 -8.984 3.585 1.00 0.00 N ATOM 250 CZ ARG A 19 -9.713 -10.087 3.108 1.00 0.00 C ATOM 251 NH1 ARG A 19 -9.592 -10.261 1.799 1.00 0.00 N ATOM 252 NH2 ARG A 19 -9.265 -11.019 3.940 1.00 0.00 N ATOM 0 H ARG A 19 -11.105 -6.217 6.344 1.00 0.00 H new ATOM 0 HA ARG A 19 -12.454 -4.623 4.606 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -12.370 -7.637 4.926 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -13.205 -6.887 3.580 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -11.114 -5.792 2.860 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.266 -6.467 4.237 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.711 -8.246 2.250 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.075 -7.691 1.953 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.357 -8.881 4.597 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.934 -9.547 1.156 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.157 -11.109 1.435 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.355 -10.889 4.948 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.831 -11.865 3.572 1.00 0.00 H new ATOM 266 N ASN A 20 -14.526 -6.095 6.651 1.00 0.00 N ATOM 267 CA ASN A 20 -15.912 -6.137 7.102 1.00 0.00 C ATOM 268 C ASN A 20 -16.409 -4.740 7.462 1.00 0.00 C ATOM 269 O ASN A 20 -17.224 -4.156 6.747 1.00 0.00 O ATOM 270 CB ASN A 20 -16.051 -7.066 8.309 1.00 0.00 C ATOM 271 CG ASN A 20 -16.162 -8.524 7.906 1.00 0.00 C ATOM 272 OD1 ASN A 20 -16.618 -8.843 6.808 1.00 0.00 O ATOM 273 ND2 ASN A 20 -15.745 -9.417 8.796 1.00 0.00 N ATOM 0 H ASN A 20 -13.865 -6.558 7.275 1.00 0.00 H new ATOM 0 HA ASN A 20 -16.522 -6.522 6.285 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -15.189 -6.937 8.964 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -16.933 -6.782 8.883 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -15.796 -10.413 8.581 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -15.374 -9.107 9.694 1.00 0.00 H new ATOM 280 N ASP A 21 -15.912 -4.210 8.574 1.00 0.00 N ATOM 281 CA ASP A 21 -16.304 -2.881 9.029 1.00 0.00 C ATOM 282 C ASP A 21 -15.960 -1.825 7.982 1.00 0.00 C ATOM 283 O ASP A 21 -16.536 -0.737 7.972 1.00 0.00 O ATOM 284 CB ASP A 21 -15.614 -2.547 10.353 1.00 0.00 C ATOM 285 CG ASP A 21 -16.459 -1.650 11.236 1.00 0.00 C ATOM 286 OD1 ASP A 21 -17.345 -2.176 11.942 1.00 0.00 O ATOM 287 OD2 ASP A 21 -16.233 -0.422 11.222 1.00 0.00 O ATOM 0 H ASP A 21 -15.237 -4.680 9.177 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.383 -2.880 9.180 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.391 -3.471 10.886 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.661 -2.058 10.150 1.00 0.00 H new ATOM 292 N ILE A 22 -15.019 -2.154 7.104 1.00 0.00 N ATOM 293 CA ILE A 22 -14.599 -1.234 6.054 1.00 0.00 C ATOM 294 C ILE A 22 -15.552 -1.286 4.865 1.00 0.00 C ATOM 295 O ILE A 22 -15.819 -0.269 4.226 1.00 0.00 O ATOM 296 CB ILE A 22 -13.172 -1.549 5.568 1.00 0.00 C ATOM 297 CG1 ILE A 22 -12.143 -0.804 6.421 1.00 0.00 C ATOM 298 CG2 ILE A 22 -13.019 -1.179 4.100 1.00 0.00 C ATOM 299 CD1 ILE A 22 -12.181 0.698 6.238 1.00 0.00 C ATOM 0 H ILE A 22 -14.533 -3.051 7.099 1.00 0.00 H new ATOM 0 HA ILE A 22 -14.614 -0.233 6.486 1.00 0.00 H new ATOM 0 HB ILE A 22 -12.996 -2.620 5.673 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -12.315 -1.039 7.471 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -11.146 -1.167 6.173 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -12.005 -1.407 3.771 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -13.731 -1.750 3.505 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -13.211 -0.114 3.971 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -11.425 1.161 6.873 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.979 0.943 5.195 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -13.166 1.073 6.514 1.00 0.00 H new ATOM 311 N ALA A 23 -16.064 -2.478 4.575 1.00 0.00 N ATOM 312 CA ALA A 23 -16.991 -2.661 3.466 1.00 0.00 C ATOM 313 C ALA A 23 -18.414 -2.289 3.871 1.00 0.00 C ATOM 314 O ALA A 23 -19.256 -2.001 3.021 1.00 0.00 O ATOM 315 CB ALA A 23 -16.942 -4.099 2.969 1.00 0.00 C ATOM 0 H ALA A 23 -15.852 -3.331 5.093 1.00 0.00 H new ATOM 0 HA ALA A 23 -16.686 -1.997 2.657 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -17.640 -4.222 2.140 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -15.932 -4.333 2.631 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -17.219 -4.774 3.779 1.00 0.00 H new ATOM 321 N SER A 24 -18.674 -2.297 5.174 1.00 0.00 N ATOM 322 CA SER A 24 -19.996 -1.964 5.692 1.00 0.00 C ATOM 323 C SER A 24 -20.062 -0.498 6.110 1.00 0.00 C ATOM 324 O SER A 24 -21.107 0.145 5.998 1.00 0.00 O ATOM 325 CB SER A 24 -20.342 -2.861 6.881 1.00 0.00 C ATOM 326 OG SER A 24 -21.745 -3.012 7.015 1.00 0.00 O ATOM 0 H SER A 24 -17.987 -2.530 5.891 1.00 0.00 H new ATOM 0 HA SER A 24 -20.723 -2.130 4.897 1.00 0.00 H new ATOM 0 HB2 SER A 24 -19.879 -3.839 6.750 1.00 0.00 H new ATOM 0 HB3 SER A 24 -19.930 -2.433 7.795 1.00 0.00 H new ATOM 0 HG SER A 24 -21.940 -3.591 7.781 1.00 0.00 H new ATOM 332 N HIS A 25 -18.940 0.025 6.593 1.00 0.00 N ATOM 333 CA HIS A 25 -18.869 1.415 7.028 1.00 0.00 C ATOM 334 C HIS A 25 -17.654 2.113 6.422 1.00 0.00 C ATOM 335 O HIS A 25 -16.827 2.693 7.125 1.00 0.00 O ATOM 336 CB HIS A 25 -18.807 1.492 8.554 1.00 0.00 C ATOM 337 CG HIS A 25 -20.155 1.505 9.208 1.00 0.00 C ATOM 338 ND1 HIS A 25 -20.759 2.658 9.662 1.00 0.00 N ATOM 339 CD2 HIS A 25 -21.016 0.497 9.481 1.00 0.00 C ATOM 340 CE1 HIS A 25 -21.934 2.358 10.188 1.00 0.00 C ATOM 341 NE2 HIS A 25 -22.113 1.054 10.090 1.00 0.00 N ATOM 0 H HIS A 25 -18.067 -0.493 6.693 1.00 0.00 H new ATOM 0 HA HIS A 25 -19.769 1.924 6.682 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -18.238 0.642 8.930 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -18.263 2.392 8.843 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -20.868 -0.550 9.261 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -22.629 3.060 10.624 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -22.934 0.543 10.414 1.00 0.00 H new ATOM 349 N PRO A 26 -17.543 2.055 5.087 1.00 0.00 N ATOM 350 CA PRO A 26 -16.433 2.676 4.358 1.00 0.00 C ATOM 351 C PRO A 26 -16.179 4.113 4.801 1.00 0.00 C ATOM 352 O PRO A 26 -17.096 4.840 5.185 1.00 0.00 O ATOM 353 CB PRO A 26 -16.902 2.641 2.901 1.00 0.00 C ATOM 354 CG PRO A 26 -17.853 1.495 2.837 1.00 0.00 C ATOM 355 CD PRO A 26 -18.493 1.381 4.186 1.00 0.00 C ATOM 0 HA PRO A 26 -15.491 2.155 4.530 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -17.388 3.575 2.619 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -16.064 2.499 2.219 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -18.605 1.661 2.066 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -17.330 0.574 2.579 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -19.471 1.861 4.206 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -18.643 0.339 4.470 1.00 0.00 H new ATOM 363 N PRO A 27 -14.907 4.533 4.748 1.00 0.00 N ATOM 364 CA PRO A 27 -14.504 5.887 5.139 1.00 0.00 C ATOM 365 C PRO A 27 -14.997 6.946 4.159 1.00 0.00 C ATOM 366 O PRO A 27 -15.424 6.627 3.049 1.00 0.00 O ATOM 367 CB PRO A 27 -12.975 5.819 5.127 1.00 0.00 C ATOM 368 CG PRO A 27 -12.651 4.723 4.171 1.00 0.00 C ATOM 369 CD PRO A 27 -13.764 3.720 4.301 1.00 0.00 C ATOM 0 HA PRO A 27 -14.925 6.174 6.103 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.539 6.765 4.806 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.581 5.607 6.121 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.584 5.102 3.151 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -11.688 4.271 4.407 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -13.970 3.224 3.353 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -13.520 2.940 5.022 1.00 0.00 H new ATOM 377 N VAL A 28 -14.936 8.206 4.576 1.00 0.00 N ATOM 378 CA VAL A 28 -15.376 9.312 3.733 1.00 0.00 C ATOM 379 C VAL A 28 -14.281 9.728 2.757 1.00 0.00 C ATOM 380 O VAL A 28 -13.201 10.153 3.165 1.00 0.00 O ATOM 381 CB VAL A 28 -15.786 10.533 4.578 1.00 0.00 C ATOM 382 CG1 VAL A 28 -16.128 11.713 3.681 1.00 0.00 C ATOM 383 CG2 VAL A 28 -16.957 10.184 5.484 1.00 0.00 C ATOM 0 H VAL A 28 -14.586 8.487 5.492 1.00 0.00 H new ATOM 0 HA VAL A 28 -16.242 8.959 3.174 1.00 0.00 H new ATOM 0 HB VAL A 28 -14.942 10.818 5.206 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -16.415 12.566 4.296 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -15.259 11.976 3.079 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -16.956 11.443 3.025 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -17.234 11.058 6.074 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -17.807 9.872 4.877 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -16.671 9.371 6.152 1.00 0.00 H new ATOM 393 N GLU A 29 -14.569 9.602 1.465 1.00 0.00 N ATOM 394 CA GLU A 29 -13.608 9.965 0.430 1.00 0.00 C ATOM 395 C GLU A 29 -13.262 11.450 0.505 1.00 0.00 C ATOM 396 O GLU A 29 -14.101 12.308 0.237 1.00 0.00 O ATOM 397 CB GLU A 29 -14.165 9.630 -0.955 1.00 0.00 C ATOM 398 CG GLU A 29 -15.205 10.622 -1.449 1.00 0.00 C ATOM 399 CD GLU A 29 -16.142 10.020 -2.478 1.00 0.00 C ATOM 400 OE1 GLU A 29 -16.837 9.038 -2.144 1.00 0.00 O ATOM 401 OE2 GLU A 29 -16.179 10.530 -3.617 1.00 0.00 O ATOM 0 H GLU A 29 -15.459 9.252 1.111 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.698 9.388 0.597 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.342 9.593 -1.669 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.608 8.635 -0.928 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -15.787 10.985 -0.602 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.701 11.485 -1.883 1.00 0.00 H new ATOM 408 N GLY A 30 -12.018 11.744 0.873 1.00 0.00 N ATOM 409 CA GLY A 30 -11.582 13.124 0.978 1.00 0.00 C ATOM 410 C GLY A 30 -11.727 13.672 2.384 1.00 0.00 C ATOM 411 O GLY A 30 -11.899 14.876 2.573 1.00 0.00 O ATOM 0 H GLY A 30 -11.305 11.051 1.100 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.539 13.197 0.669 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.163 13.739 0.290 1.00 0.00 H new ATOM 415 N SER A 31 -11.660 12.787 3.373 1.00 0.00 N ATOM 416 CA SER A 31 -11.790 13.188 4.769 1.00 0.00 C ATOM 417 C SER A 31 -10.446 13.106 5.486 1.00 0.00 C ATOM 418 O SER A 31 -10.047 14.035 6.188 1.00 0.00 O ATOM 419 CB SER A 31 -12.816 12.305 5.482 1.00 0.00 C ATOM 420 OG SER A 31 -12.927 12.655 6.850 1.00 0.00 O ATOM 0 H SER A 31 -11.516 11.787 3.233 1.00 0.00 H new ATOM 0 HA SER A 31 -12.132 14.223 4.793 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.787 12.407 4.997 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.524 11.259 5.394 1.00 0.00 H new ATOM 0 HG SER A 31 -13.590 12.077 7.283 1.00 0.00 H new ATOM 426 N TYR A 32 -9.753 11.988 5.303 1.00 0.00 N ATOM 427 CA TYR A 32 -8.454 11.782 5.933 1.00 0.00 C ATOM 428 C TYR A 32 -7.340 12.417 5.106 1.00 0.00 C ATOM 429 O TYR A 32 -7.230 12.175 3.904 1.00 0.00 O ATOM 430 CB TYR A 32 -8.183 10.288 6.114 1.00 0.00 C ATOM 431 CG TYR A 32 -6.722 9.960 6.328 1.00 0.00 C ATOM 432 CD1 TYR A 32 -5.833 9.927 5.261 1.00 0.00 C ATOM 433 CD2 TYR A 32 -6.232 9.683 7.599 1.00 0.00 C ATOM 434 CE1 TYR A 32 -4.499 9.626 5.452 1.00 0.00 C ATOM 435 CE2 TYR A 32 -4.898 9.383 7.799 1.00 0.00 C ATOM 436 CZ TYR A 32 -4.036 9.355 6.723 1.00 0.00 C ATOM 437 OH TYR A 32 -2.707 9.057 6.918 1.00 0.00 O ATOM 0 H TYR A 32 -10.069 11.210 4.724 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.473 12.262 6.912 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.757 9.924 6.966 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.542 9.753 5.235 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -6.191 10.140 4.265 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -6.905 9.703 8.444 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.822 9.603 4.611 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -4.532 9.172 8.793 1.00 0.00 H new ATOM 0 HH TYR A 32 -2.426 8.378 6.270 1.00 0.00 H new ATOM 447 N ALA A 33 -6.516 13.229 5.759 1.00 0.00 N ATOM 448 CA ALA A 33 -5.409 13.897 5.086 1.00 0.00 C ATOM 449 C ALA A 33 -4.110 13.117 5.261 1.00 0.00 C ATOM 450 O ALA A 33 -3.560 13.018 6.358 1.00 0.00 O ATOM 451 CB ALA A 33 -5.250 15.316 5.612 1.00 0.00 C ATOM 0 H ALA A 33 -6.594 13.440 6.754 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.636 13.940 4.021 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.420 15.803 5.100 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.167 15.876 5.430 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.049 15.287 6.683 1.00 0.00 H new ATOM 457 N PRO A 34 -3.606 12.549 4.156 1.00 0.00 N ATOM 458 CA PRO A 34 -2.366 11.767 4.162 1.00 0.00 C ATOM 459 C PRO A 34 -1.135 12.636 4.394 1.00 0.00 C ATOM 460 O PRO A 34 -0.917 13.622 3.689 1.00 0.00 O ATOM 461 CB PRO A 34 -2.329 11.150 2.761 1.00 0.00 C ATOM 462 CG PRO A 34 -3.134 12.077 1.917 1.00 0.00 C ATOM 463 CD PRO A 34 -4.209 12.625 2.814 1.00 0.00 C ATOM 0 HA PRO A 34 -2.351 11.032 4.967 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.307 11.066 2.392 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -2.752 10.145 2.760 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.513 12.879 1.517 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.566 11.553 1.065 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -4.470 13.649 2.548 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.124 12.036 2.751 1.00 0.00 H new ATOM 471 N ARG A 35 -0.332 12.264 5.386 1.00 0.00 N ATOM 472 CA ARG A 35 0.877 13.011 5.711 1.00 0.00 C ATOM 473 C ARG A 35 2.117 12.139 5.539 1.00 0.00 C ATOM 474 O ARG A 35 2.102 10.950 5.859 1.00 0.00 O ATOM 475 CB ARG A 35 0.807 13.538 7.145 1.00 0.00 C ATOM 476 CG ARG A 35 -0.403 14.420 7.411 1.00 0.00 C ATOM 477 CD ARG A 35 -0.274 15.766 6.716 1.00 0.00 C ATOM 478 NE ARG A 35 -1.567 16.427 6.560 1.00 0.00 N ATOM 479 CZ ARG A 35 -1.736 17.563 5.893 1.00 0.00 C ATOM 480 NH1 ARG A 35 -0.699 18.160 5.321 1.00 0.00 N ATOM 481 NH2 ARG A 35 -2.944 18.103 5.795 1.00 0.00 N ATOM 0 H ARG A 35 -0.497 11.450 5.978 1.00 0.00 H new ATOM 0 HA ARG A 35 0.948 13.854 5.024 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.789 12.693 7.833 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.713 14.104 7.360 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.305 13.916 7.065 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.515 14.573 8.484 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.394 16.408 7.290 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.182 15.626 5.736 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.385 15.992 6.987 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.231 17.747 5.393 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.831 19.032 4.809 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.744 17.646 6.232 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.073 18.975 5.283 1.00 0.00 H new ATOM 495 N ARG A 36 3.189 12.737 5.030 1.00 0.00 N ATOM 496 CA ARG A 36 4.437 12.015 4.814 1.00 0.00 C ATOM 497 C ARG A 36 4.891 11.318 6.093 1.00 0.00 C ATOM 498 O ARG A 36 5.372 11.960 7.025 1.00 0.00 O ATOM 499 CB ARG A 36 5.527 12.971 4.328 1.00 0.00 C ATOM 500 CG ARG A 36 6.851 12.286 4.029 1.00 0.00 C ATOM 501 CD ARG A 36 7.627 13.020 2.948 1.00 0.00 C ATOM 502 NE ARG A 36 9.041 12.655 2.945 1.00 0.00 N ATOM 503 CZ ARG A 36 9.947 13.228 2.160 1.00 0.00 C ATOM 504 NH1 ARG A 36 9.588 14.188 1.319 1.00 0.00 N ATOM 505 NH2 ARG A 36 11.215 12.841 2.216 1.00 0.00 N ATOM 0 H ARG A 36 3.218 13.720 4.759 1.00 0.00 H new ATOM 0 HA ARG A 36 4.261 11.257 4.051 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.179 13.478 3.428 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.688 13.739 5.084 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.450 12.237 4.938 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.667 11.259 3.713 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.193 12.795 1.974 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.531 14.095 3.099 1.00 0.00 H new ATOM 0 HE ARG A 36 9.350 11.920 3.581 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.614 14.488 1.274 1.00 0.00 H new ATOM 0 HH12 ARG A 36 10.286 14.626 0.717 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.495 12.103 2.862 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.910 13.281 1.613 1.00 0.00 H new ATOM 519 N GLY A 37 4.733 9.998 6.130 1.00 0.00 N ATOM 520 CA GLY A 37 5.130 9.236 7.299 1.00 0.00 C ATOM 521 C GLY A 37 3.954 8.885 8.190 1.00 0.00 C ATOM 522 O GLY A 37 4.104 8.760 9.405 1.00 0.00 O ATOM 0 H GLY A 37 4.337 9.443 5.371 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.626 8.319 6.980 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.858 9.810 7.873 1.00 0.00 H new ATOM 526 N GLU A 38 2.781 8.727 7.584 1.00 0.00 N ATOM 527 CA GLU A 38 1.575 8.391 8.332 1.00 0.00 C ATOM 528 C GLU A 38 0.908 7.145 7.757 1.00 0.00 C ATOM 529 O GLU A 38 0.808 6.986 6.540 1.00 0.00 O ATOM 530 CB GLU A 38 0.593 9.564 8.311 1.00 0.00 C ATOM 531 CG GLU A 38 0.792 10.545 9.454 1.00 0.00 C ATOM 532 CD GLU A 38 0.405 9.962 10.799 1.00 0.00 C ATOM 533 OE1 GLU A 38 -0.807 9.895 11.090 1.00 0.00 O ATOM 534 OE2 GLU A 38 1.315 9.571 11.560 1.00 0.00 O ATOM 0 H GLU A 38 2.640 8.826 6.579 1.00 0.00 H new ATOM 0 HA GLU A 38 1.863 8.185 9.363 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.695 10.096 7.365 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.425 9.176 8.350 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.837 10.855 9.484 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.199 11.440 9.266 1.00 0.00 H new ATOM 541 N PHE A 39 0.454 6.263 8.641 1.00 0.00 N ATOM 542 CA PHE A 39 -0.202 5.030 8.223 1.00 0.00 C ATOM 543 C PHE A 39 -1.688 5.264 7.969 1.00 0.00 C ATOM 544 O PHE A 39 -2.327 6.065 8.651 1.00 0.00 O ATOM 545 CB PHE A 39 -0.020 3.945 9.287 1.00 0.00 C ATOM 546 CG PHE A 39 1.360 3.352 9.308 1.00 0.00 C ATOM 547 CD1 PHE A 39 1.753 2.443 8.340 1.00 0.00 C ATOM 548 CD2 PHE A 39 2.264 3.704 10.297 1.00 0.00 C ATOM 549 CE1 PHE A 39 3.022 1.895 8.358 1.00 0.00 C ATOM 550 CE2 PHE A 39 3.535 3.161 10.320 1.00 0.00 C ATOM 551 CZ PHE A 39 3.914 2.256 9.348 1.00 0.00 C ATOM 0 H PHE A 39 0.528 6.379 9.652 1.00 0.00 H new ATOM 0 HA PHE A 39 0.260 4.699 7.293 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.240 4.368 10.267 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.746 3.151 9.112 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.060 2.159 7.562 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.972 4.411 11.059 1.00 0.00 H new ATOM 0 HE1 PHE A 39 3.315 1.185 7.599 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.230 3.444 11.097 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.907 1.831 9.362 1.00 0.00 H new ATOM 561 N CYS A 40 -2.231 4.559 6.982 1.00 0.00 N ATOM 562 CA CYS A 40 -3.641 4.690 6.635 1.00 0.00 C ATOM 563 C CYS A 40 -4.072 3.580 5.682 1.00 0.00 C ATOM 564 O CYS A 40 -3.248 2.789 5.222 1.00 0.00 O ATOM 565 CB CYS A 40 -3.907 6.056 5.999 1.00 0.00 C ATOM 566 SG CYS A 40 -2.811 6.452 4.616 1.00 0.00 S ATOM 0 H CYS A 40 -1.716 3.891 6.408 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.224 4.604 7.552 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.940 6.088 5.651 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.804 6.827 6.763 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.865 7.728 4.371 1.00 0.00 H new ATOM 572 N ILE A 41 -5.368 3.527 5.391 1.00 0.00 N ATOM 573 CA ILE A 41 -5.908 2.513 4.494 1.00 0.00 C ATOM 574 C ILE A 41 -6.111 3.073 3.090 1.00 0.00 C ATOM 575 O ILE A 41 -6.674 4.153 2.917 1.00 0.00 O ATOM 576 CB ILE A 41 -7.248 1.959 5.012 1.00 0.00 C ATOM 577 CG1 ILE A 41 -8.269 3.089 5.160 1.00 0.00 C ATOM 578 CG2 ILE A 41 -7.047 1.242 6.339 1.00 0.00 C ATOM 579 CD1 ILE A 41 -9.640 2.612 5.585 1.00 0.00 C ATOM 0 H ILE A 41 -6.063 4.174 5.763 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.179 1.703 4.458 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.632 1.241 4.288 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.900 3.808 5.892 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.355 3.617 4.210 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -8.003 0.856 6.692 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.349 0.415 6.204 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.644 1.940 7.073 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -10.312 3.466 5.670 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -10.030 1.916 4.842 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -9.568 2.110 6.550 1.00 0.00 H new ATOM 591 N ALA A 42 -5.648 2.330 2.090 1.00 0.00 N ATOM 592 CA ALA A 42 -5.782 2.750 0.701 1.00 0.00 C ATOM 593 C ALA A 42 -6.710 1.815 -0.068 1.00 0.00 C ATOM 594 O ALA A 42 -6.712 0.604 0.154 1.00 0.00 O ATOM 595 CB ALA A 42 -4.417 2.809 0.033 1.00 0.00 C ATOM 0 H ALA A 42 -5.177 1.434 2.216 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.223 3.747 0.690 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.533 3.124 -1.004 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.784 3.523 0.561 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.954 1.823 0.063 1.00 0.00 H new ATOM 601 N LYS A 43 -7.497 2.384 -0.975 1.00 0.00 N ATOM 602 CA LYS A 43 -8.430 1.602 -1.778 1.00 0.00 C ATOM 603 C LYS A 43 -7.765 1.114 -3.061 1.00 0.00 C ATOM 604 O LYS A 43 -7.223 1.906 -3.832 1.00 0.00 O ATOM 605 CB LYS A 43 -9.666 2.437 -2.118 1.00 0.00 C ATOM 606 CG LYS A 43 -10.925 1.609 -2.311 1.00 0.00 C ATOM 607 CD LYS A 43 -12.169 2.481 -2.332 1.00 0.00 C ATOM 608 CE LYS A 43 -13.382 1.734 -1.798 1.00 0.00 C ATOM 609 NZ LYS A 43 -14.655 2.291 -2.333 1.00 0.00 N ATOM 0 H LYS A 43 -7.507 3.385 -1.172 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.735 0.734 -1.194 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.836 3.161 -1.321 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.472 3.005 -3.028 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.855 1.051 -3.245 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.007 0.877 -1.508 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.998 3.375 -1.733 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.365 2.813 -3.352 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.306 0.680 -2.065 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.391 1.787 -0.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.458 1.755 -1.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.740 3.290 -2.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.657 2.217 -3.370 1.00 0.00 H new ATOM 623 N PHE A 44 -7.811 -0.195 -3.285 1.00 0.00 N ATOM 624 CA PHE A 44 -7.214 -0.789 -4.475 1.00 0.00 C ATOM 625 C PHE A 44 -8.189 -0.754 -5.648 1.00 0.00 C ATOM 626 O PHE A 44 -9.404 -0.689 -5.459 1.00 0.00 O ATOM 627 CB PHE A 44 -6.790 -2.232 -4.193 1.00 0.00 C ATOM 628 CG PHE A 44 -5.822 -2.781 -5.202 1.00 0.00 C ATOM 629 CD1 PHE A 44 -4.608 -2.153 -5.430 1.00 0.00 C ATOM 630 CD2 PHE A 44 -6.127 -3.924 -5.923 1.00 0.00 C ATOM 631 CE1 PHE A 44 -3.716 -2.656 -6.358 1.00 0.00 C ATOM 632 CE2 PHE A 44 -5.239 -4.431 -6.853 1.00 0.00 C ATOM 633 CZ PHE A 44 -4.032 -3.797 -7.070 1.00 0.00 C ATOM 0 H PHE A 44 -8.256 -0.865 -2.658 1.00 0.00 H new ATOM 0 HA PHE A 44 -6.333 -0.204 -4.740 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.337 -2.282 -3.203 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -7.677 -2.865 -4.171 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.356 -1.261 -4.876 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.069 -4.425 -5.756 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.773 -2.158 -6.526 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.489 -5.322 -7.409 1.00 0.00 H new ATOM 0 HZ PHE A 44 -3.336 -4.192 -7.795 1.00 0.00 H new ATOM 643 N VAL A 45 -7.647 -0.797 -6.861 1.00 0.00 N ATOM 644 CA VAL A 45 -8.468 -0.771 -8.066 1.00 0.00 C ATOM 645 C VAL A 45 -9.663 -1.709 -7.938 1.00 0.00 C ATOM 646 O VAL A 45 -10.686 -1.521 -8.596 1.00 0.00 O ATOM 647 CB VAL A 45 -7.651 -1.164 -9.311 1.00 0.00 C ATOM 648 CG1 VAL A 45 -6.445 -0.250 -9.469 1.00 0.00 C ATOM 649 CG2 VAL A 45 -7.219 -2.620 -9.225 1.00 0.00 C ATOM 0 H VAL A 45 -6.643 -0.850 -7.035 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.825 0.252 -8.183 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.283 -1.047 -10.191 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.880 -0.543 -10.354 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.782 0.781 -9.578 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.808 -0.332 -8.588 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.643 -2.882 -10.112 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.604 -2.765 -8.337 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.101 -3.258 -9.164 1.00 0.00 H new ATOM 659 N ASP A 46 -9.525 -2.720 -7.088 1.00 0.00 N ATOM 660 CA ASP A 46 -10.593 -3.689 -6.871 1.00 0.00 C ATOM 661 C ASP A 46 -11.455 -3.290 -5.677 1.00 0.00 C ATOM 662 O ASP A 46 -12.039 -4.141 -5.009 1.00 0.00 O ATOM 663 CB ASP A 46 -10.009 -5.085 -6.651 1.00 0.00 C ATOM 664 CG ASP A 46 -9.629 -5.765 -7.951 1.00 0.00 C ATOM 665 OD1 ASP A 46 -10.536 -6.035 -8.766 1.00 0.00 O ATOM 666 OD2 ASP A 46 -8.425 -6.029 -8.154 1.00 0.00 O ATOM 0 H ASP A 46 -8.683 -2.890 -6.537 1.00 0.00 H new ATOM 0 HA ASP A 46 -11.222 -3.704 -7.761 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.129 -5.011 -6.012 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.736 -5.701 -6.121 1.00 0.00 H new ATOM 671 N GLY A 47 -11.528 -1.988 -5.414 1.00 0.00 N ATOM 672 CA GLY A 47 -12.318 -1.500 -4.300 1.00 0.00 C ATOM 673 C GLY A 47 -11.995 -2.213 -3.002 1.00 0.00 C ATOM 674 O GLY A 47 -12.859 -2.371 -2.142 1.00 0.00 O ATOM 0 H GLY A 47 -11.054 -1.263 -5.953 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.144 -0.431 -4.176 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.377 -1.627 -4.527 1.00 0.00 H new ATOM 678 N GLU A 48 -10.745 -2.646 -2.863 1.00 0.00 N ATOM 679 CA GLU A 48 -10.311 -3.349 -1.661 1.00 0.00 C ATOM 680 C GLU A 48 -9.359 -2.484 -0.839 1.00 0.00 C ATOM 681 O GLU A 48 -8.327 -2.034 -1.337 1.00 0.00 O ATOM 682 CB GLU A 48 -9.629 -4.667 -2.033 1.00 0.00 C ATOM 683 CG GLU A 48 -10.594 -5.739 -2.509 1.00 0.00 C ATOM 684 CD GLU A 48 -11.140 -6.580 -1.371 1.00 0.00 C ATOM 685 OE1 GLU A 48 -10.374 -6.873 -0.430 1.00 0.00 O ATOM 686 OE2 GLU A 48 -12.333 -6.945 -1.423 1.00 0.00 O ATOM 0 H GLU A 48 -10.017 -2.522 -3.566 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.193 -3.563 -1.057 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.895 -4.478 -2.816 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.083 -5.041 -1.167 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.423 -5.268 -3.038 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.087 -6.387 -3.224 1.00 0.00 H new ATOM 693 N TRP A 49 -9.714 -2.257 0.420 1.00 0.00 N ATOM 694 CA TRP A 49 -8.892 -1.446 1.311 1.00 0.00 C ATOM 695 C TRP A 49 -7.695 -2.241 1.821 1.00 0.00 C ATOM 696 O TRP A 49 -7.810 -3.429 2.121 1.00 0.00 O ATOM 697 CB TRP A 49 -9.726 -0.943 2.491 1.00 0.00 C ATOM 698 CG TRP A 49 -10.740 0.090 2.103 1.00 0.00 C ATOM 699 CD1 TRP A 49 -12.043 -0.129 1.756 1.00 0.00 C ATOM 700 CD2 TRP A 49 -10.535 1.505 2.022 1.00 0.00 C ATOM 701 NE1 TRP A 49 -12.659 1.063 1.464 1.00 0.00 N ATOM 702 CE2 TRP A 49 -11.756 2.081 1.620 1.00 0.00 C ATOM 703 CE3 TRP A 49 -9.439 2.341 2.251 1.00 0.00 C ATOM 704 CZ2 TRP A 49 -11.908 3.454 1.443 1.00 0.00 C ATOM 705 CZ3 TRP A 49 -9.592 3.703 2.075 1.00 0.00 C ATOM 706 CH2 TRP A 49 -10.819 4.249 1.674 1.00 0.00 C ATOM 0 H TRP A 49 -10.565 -2.623 0.847 1.00 0.00 H new ATOM 0 HA TRP A 49 -8.522 -0.591 0.746 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -10.237 -1.788 2.952 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -9.060 -0.523 3.245 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.519 -1.098 1.717 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -13.632 1.173 1.177 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -8.489 1.930 2.560 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -12.853 3.876 1.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -8.751 4.358 2.249 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -10.906 5.318 1.545 1.00 0.00 H new ATOM 717 N TYR A 50 -6.548 -1.578 1.917 1.00 0.00 N ATOM 718 CA TYR A 50 -5.329 -2.224 2.389 1.00 0.00 C ATOM 719 C TYR A 50 -4.468 -1.248 3.185 1.00 0.00 C ATOM 720 O TYR A 50 -4.528 -0.036 2.974 1.00 0.00 O ATOM 721 CB TYR A 50 -4.532 -2.779 1.208 1.00 0.00 C ATOM 722 CG TYR A 50 -5.268 -3.843 0.426 1.00 0.00 C ATOM 723 CD1 TYR A 50 -5.488 -5.104 0.967 1.00 0.00 C ATOM 724 CD2 TYR A 50 -5.746 -3.587 -0.853 1.00 0.00 C ATOM 725 CE1 TYR A 50 -6.160 -6.079 0.256 1.00 0.00 C ATOM 726 CE2 TYR A 50 -6.420 -4.556 -1.571 1.00 0.00 C ATOM 727 CZ TYR A 50 -6.625 -5.800 -1.013 1.00 0.00 C ATOM 728 OH TYR A 50 -7.296 -6.768 -1.724 1.00 0.00 O ATOM 0 H TYR A 50 -6.437 -0.594 1.674 1.00 0.00 H new ATOM 0 HA TYR A 50 -5.614 -3.046 3.045 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.275 -1.959 0.537 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.594 -3.195 1.577 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -5.127 -5.325 1.961 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.588 -2.614 -1.294 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.321 -7.054 0.691 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.784 -4.340 -2.564 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.557 -6.410 -2.598 1.00 0.00 H new ATOM 738 N ARG A 51 -3.668 -1.785 4.099 1.00 0.00 N ATOM 739 CA ARG A 51 -2.794 -0.963 4.928 1.00 0.00 C ATOM 740 C ARG A 51 -1.623 -0.422 4.113 1.00 0.00 C ATOM 741 O ARG A 51 -0.981 -1.159 3.365 1.00 0.00 O ATOM 742 CB ARG A 51 -2.271 -1.773 6.115 1.00 0.00 C ATOM 743 CG ARG A 51 -3.215 -1.785 7.307 1.00 0.00 C ATOM 744 CD ARG A 51 -2.460 -1.973 8.614 1.00 0.00 C ATOM 745 NE ARG A 51 -2.324 -3.383 8.969 1.00 0.00 N ATOM 746 CZ ARG A 51 -1.345 -4.163 8.523 1.00 0.00 C ATOM 747 NH1 ARG A 51 -0.421 -3.672 7.709 1.00 0.00 N ATOM 748 NH2 ARG A 51 -1.289 -5.436 8.891 1.00 0.00 N ATOM 0 H ARG A 51 -3.606 -2.786 4.285 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.376 -0.120 5.300 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.092 -2.799 5.793 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.310 -1.365 6.427 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.774 -0.850 7.340 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.943 -2.587 7.188 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.471 -1.523 8.529 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.982 -1.447 9.413 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.019 -3.792 9.594 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.461 -2.694 7.424 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.330 -4.273 7.368 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.998 -5.818 9.517 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.537 -6.033 8.548 1.00 0.00 H new ATOM 762 N ALA A 52 -1.352 0.871 4.262 1.00 0.00 N ATOM 763 CA ALA A 52 -0.258 1.510 3.542 1.00 0.00 C ATOM 764 C ALA A 52 0.289 2.702 4.320 1.00 0.00 C ATOM 765 O ALA A 52 -0.420 3.312 5.120 1.00 0.00 O ATOM 766 CB ALA A 52 -0.721 1.948 2.160 1.00 0.00 C ATOM 0 H ALA A 52 -1.875 1.496 4.875 1.00 0.00 H new ATOM 0 HA ALA A 52 0.545 0.782 3.431 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.106 2.424 1.633 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.058 1.078 1.596 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.543 2.656 2.259 1.00 0.00 H new ATOM 772 N ARG A 53 1.556 3.027 4.081 1.00 0.00 N ATOM 773 CA ARG A 53 2.199 4.145 4.762 1.00 0.00 C ATOM 774 C ARG A 53 2.557 5.250 3.773 1.00 0.00 C ATOM 775 O ARG A 53 3.305 5.028 2.820 1.00 0.00 O ATOM 776 CB ARG A 53 3.457 3.670 5.490 1.00 0.00 C ATOM 777 CG ARG A 53 4.207 4.785 6.201 1.00 0.00 C ATOM 778 CD ARG A 53 5.399 4.248 6.977 1.00 0.00 C ATOM 779 NE ARG A 53 5.725 5.085 8.129 1.00 0.00 N ATOM 780 CZ ARG A 53 6.803 4.909 8.884 1.00 0.00 C ATOM 781 NH1 ARG A 53 7.655 3.930 8.611 1.00 0.00 N ATOM 782 NH2 ARG A 53 7.030 5.712 9.916 1.00 0.00 N ATOM 0 H ARG A 53 2.157 2.532 3.422 1.00 0.00 H new ATOM 0 HA ARG A 53 1.496 4.548 5.491 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.179 2.908 6.219 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.125 3.195 4.771 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.548 5.519 5.471 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.531 5.303 6.882 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.185 3.234 7.315 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.264 4.188 6.317 1.00 0.00 H new ATOM 0 HE ARG A 53 5.089 5.847 8.367 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.483 3.310 7.819 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.482 3.797 9.193 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.376 6.465 10.130 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.858 5.576 10.495 1.00 0.00 H new ATOM 796 N VAL A 54 2.017 6.443 4.005 1.00 0.00 N ATOM 797 CA VAL A 54 2.280 7.583 3.135 1.00 0.00 C ATOM 798 C VAL A 54 3.777 7.804 2.955 1.00 0.00 C ATOM 799 O VAL A 54 4.489 8.105 3.912 1.00 0.00 O ATOM 800 CB VAL A 54 1.646 8.872 3.693 1.00 0.00 C ATOM 801 CG1 VAL A 54 1.860 10.031 2.732 1.00 0.00 C ATOM 802 CG2 VAL A 54 0.164 8.661 3.965 1.00 0.00 C ATOM 0 H VAL A 54 1.395 6.645 4.788 1.00 0.00 H new ATOM 0 HA VAL A 54 1.831 7.354 2.169 1.00 0.00 H new ATOM 0 HB VAL A 54 2.134 9.118 4.636 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.406 10.933 3.143 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.928 10.195 2.592 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.399 9.797 1.772 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.268 9.581 4.359 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.341 8.390 3.038 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.038 7.860 4.694 1.00 0.00 H new ATOM 812 N GLU A 55 4.248 7.651 1.721 1.00 0.00 N ATOM 813 CA GLU A 55 5.662 7.834 1.416 1.00 0.00 C ATOM 814 C GLU A 55 5.949 9.275 1.005 1.00 0.00 C ATOM 815 O GLU A 55 6.919 9.882 1.460 1.00 0.00 O ATOM 816 CB GLU A 55 6.094 6.878 0.301 1.00 0.00 C ATOM 817 CG GLU A 55 5.895 5.412 0.646 1.00 0.00 C ATOM 818 CD GLU A 55 6.503 4.483 -0.387 1.00 0.00 C ATOM 819 OE1 GLU A 55 6.179 4.631 -1.584 1.00 0.00 O ATOM 820 OE2 GLU A 55 7.305 3.607 0.002 1.00 0.00 O ATOM 0 H GLU A 55 3.672 7.401 0.917 1.00 0.00 H new ATOM 0 HA GLU A 55 6.233 7.612 2.317 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.531 7.110 -0.603 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.146 7.050 0.074 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.340 5.208 1.620 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.829 5.204 0.733 1.00 0.00 H new ATOM 827 N LYS A 56 5.098 9.818 0.141 1.00 0.00 N ATOM 828 CA LYS A 56 5.257 11.188 -0.332 1.00 0.00 C ATOM 829 C LYS A 56 3.915 11.776 -0.757 1.00 0.00 C ATOM 830 O LYS A 56 3.238 11.235 -1.632 1.00 0.00 O ATOM 831 CB LYS A 56 6.240 11.233 -1.505 1.00 0.00 C ATOM 832 CG LYS A 56 5.951 12.345 -2.498 1.00 0.00 C ATOM 833 CD LYS A 56 7.109 12.547 -3.461 1.00 0.00 C ATOM 834 CE LYS A 56 7.052 13.917 -4.121 1.00 0.00 C ATOM 835 NZ LYS A 56 7.282 15.015 -3.142 1.00 0.00 N ATOM 0 H LYS A 56 4.290 9.330 -0.246 1.00 0.00 H new ATOM 0 HA LYS A 56 5.652 11.786 0.489 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.251 11.358 -1.117 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.215 10.276 -2.026 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.047 12.107 -3.059 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.758 13.273 -1.960 1.00 0.00 H new ATOM 0 HD2 LYS A 56 8.052 12.439 -2.925 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.086 11.772 -4.227 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.802 13.971 -4.910 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.080 14.051 -4.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.481 15.677 -3.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.369 14.615 -2.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.157 15.520 -3.387 1.00 0.00 H new ATOM 849 N VAL A 57 3.537 12.887 -0.134 1.00 0.00 N ATOM 850 CA VAL A 57 2.278 13.550 -0.449 1.00 0.00 C ATOM 851 C VAL A 57 2.489 14.688 -1.442 1.00 0.00 C ATOM 852 O VAL A 57 3.060 15.723 -1.101 1.00 0.00 O ATOM 853 CB VAL A 57 1.604 14.108 0.818 1.00 0.00 C ATOM 854 CG1 VAL A 57 0.296 14.801 0.468 1.00 0.00 C ATOM 855 CG2 VAL A 57 1.373 12.997 1.831 1.00 0.00 C ATOM 0 H VAL A 57 4.085 13.347 0.593 1.00 0.00 H new ATOM 0 HA VAL A 57 1.628 12.797 -0.896 1.00 0.00 H new ATOM 0 HB VAL A 57 2.269 14.846 1.266 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.165 15.188 1.377 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.493 15.624 -0.219 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.379 14.087 -0.005 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.896 13.409 2.720 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.729 12.234 1.394 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.329 12.551 2.106 1.00 0.00 H new ATOM 865 N GLU A 58 2.025 14.488 -2.671 1.00 0.00 N ATOM 866 CA GLU A 58 2.163 15.498 -3.713 1.00 0.00 C ATOM 867 C GLU A 58 0.984 16.466 -3.693 1.00 0.00 C ATOM 868 O GLU A 58 1.151 17.659 -3.437 1.00 0.00 O ATOM 869 CB GLU A 58 2.269 14.833 -5.088 1.00 0.00 C ATOM 870 CG GLU A 58 3.684 14.425 -5.460 1.00 0.00 C ATOM 871 CD GLU A 58 4.617 15.612 -5.597 1.00 0.00 C ATOM 872 OE1 GLU A 58 5.026 16.169 -4.557 1.00 0.00 O ATOM 873 OE2 GLU A 58 4.938 15.984 -6.745 1.00 0.00 O ATOM 0 H GLU A 58 1.550 13.636 -2.969 1.00 0.00 H new ATOM 0 HA GLU A 58 3.076 16.061 -3.518 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.629 13.951 -5.106 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.887 15.519 -5.844 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.074 13.747 -4.701 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.664 13.873 -6.400 1.00 0.00 H new ATOM 880 N SER A 59 -0.207 15.944 -3.966 1.00 0.00 N ATOM 881 CA SER A 59 -1.414 16.762 -3.984 1.00 0.00 C ATOM 882 C SER A 59 -2.637 15.935 -3.596 1.00 0.00 C ATOM 883 O SER A 59 -2.627 14.705 -3.644 1.00 0.00 O ATOM 884 CB SER A 59 -1.619 17.376 -5.370 1.00 0.00 C ATOM 885 OG SER A 59 -0.379 17.584 -6.024 1.00 0.00 O ATOM 0 H SER A 59 -0.362 14.958 -4.178 1.00 0.00 H new ATOM 0 HA SER A 59 -1.291 17.562 -3.254 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.246 16.719 -5.973 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.148 18.324 -5.276 1.00 0.00 H new ATOM 0 HG SER A 59 -0.537 17.976 -6.908 1.00 0.00 H new ATOM 891 N PRO A 60 -3.716 16.626 -3.201 1.00 0.00 N ATOM 892 CA PRO A 60 -4.967 15.978 -2.796 1.00 0.00 C ATOM 893 C PRO A 60 -5.415 14.912 -3.791 1.00 0.00 C ATOM 894 O PRO A 60 -6.248 14.064 -3.473 1.00 0.00 O ATOM 895 CB PRO A 60 -5.971 17.133 -2.762 1.00 0.00 C ATOM 896 CG PRO A 60 -5.144 18.346 -2.509 1.00 0.00 C ATOM 897 CD PRO A 60 -3.799 18.094 -3.118 1.00 0.00 C ATOM 0 HA PRO A 60 -4.866 15.456 -1.845 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -6.514 17.213 -3.704 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.714 16.989 -1.977 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.608 19.228 -2.950 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -5.054 18.535 -1.439 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -3.713 18.555 -4.102 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.999 18.505 -2.503 1.00 0.00 H new ATOM 905 N ALA A 61 -4.857 14.962 -4.996 1.00 0.00 N ATOM 906 CA ALA A 61 -5.197 13.999 -6.036 1.00 0.00 C ATOM 907 C ALA A 61 -4.077 12.982 -6.231 1.00 0.00 C ATOM 908 O ALA A 61 -4.296 11.897 -6.769 1.00 0.00 O ATOM 909 CB ALA A 61 -5.495 14.717 -7.343 1.00 0.00 C ATOM 0 H ALA A 61 -4.167 15.659 -5.276 1.00 0.00 H new ATOM 0 HA ALA A 61 -6.090 13.460 -5.719 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.747 13.985 -8.111 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.334 15.398 -7.201 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.617 15.283 -7.656 1.00 0.00 H new ATOM 915 N LYS A 62 -2.876 13.341 -5.791 1.00 0.00 N ATOM 916 CA LYS A 62 -1.720 12.461 -5.917 1.00 0.00 C ATOM 917 C LYS A 62 -1.036 12.265 -4.567 1.00 0.00 C ATOM 918 O LYS A 62 -0.498 13.211 -3.991 1.00 0.00 O ATOM 919 CB LYS A 62 -0.724 13.034 -6.927 1.00 0.00 C ATOM 920 CG LYS A 62 -1.275 13.127 -8.339 1.00 0.00 C ATOM 921 CD LYS A 62 -0.169 13.027 -9.376 1.00 0.00 C ATOM 922 CE LYS A 62 -0.683 12.448 -10.685 1.00 0.00 C ATOM 923 NZ LYS A 62 -1.247 13.501 -11.575 1.00 0.00 N ATOM 0 H LYS A 62 -2.678 14.236 -5.344 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.070 11.492 -6.272 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.418 14.028 -6.599 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.171 12.412 -6.935 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.000 12.330 -8.501 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.806 14.071 -8.462 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.254 14.016 -9.555 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.636 12.401 -8.991 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.130 11.935 -11.199 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.449 11.701 -10.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.586 13.065 -12.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.039 13.973 -11.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.510 14.200 -11.796 1.00 0.00 H new ATOM 937 N ILE A 63 -1.060 11.033 -4.070 1.00 0.00 N ATOM 938 CA ILE A 63 -0.440 10.714 -2.790 1.00 0.00 C ATOM 939 C ILE A 63 0.380 9.431 -2.881 1.00 0.00 C ATOM 940 O ILE A 63 -0.172 8.335 -2.988 1.00 0.00 O ATOM 941 CB ILE A 63 -1.494 10.558 -1.678 1.00 0.00 C ATOM 942 CG1 ILE A 63 -2.601 11.601 -1.844 1.00 0.00 C ATOM 943 CG2 ILE A 63 -0.841 10.684 -0.309 1.00 0.00 C ATOM 944 CD1 ILE A 63 -2.210 12.980 -1.360 1.00 0.00 C ATOM 0 H ILE A 63 -1.502 10.240 -4.534 1.00 0.00 H new ATOM 0 HA ILE A 63 0.218 11.547 -2.542 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.940 9.567 -1.757 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.879 11.659 -2.896 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.485 11.271 -1.299 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.598 10.572 0.467 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.085 9.907 -0.194 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.371 11.664 -0.219 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.043 13.667 -1.509 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.960 12.936 -0.300 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.345 13.331 -1.922 1.00 0.00 H new ATOM 956 N HIS A 64 1.700 9.575 -2.837 1.00 0.00 N ATOM 957 CA HIS A 64 2.598 8.428 -2.912 1.00 0.00 C ATOM 958 C HIS A 64 2.530 7.601 -1.631 1.00 0.00 C ATOM 959 O HIS A 64 2.835 8.093 -0.545 1.00 0.00 O ATOM 960 CB HIS A 64 4.033 8.891 -3.158 1.00 0.00 C ATOM 961 CG HIS A 64 4.188 9.736 -4.385 1.00 0.00 C ATOM 962 ND1 HIS A 64 5.019 9.398 -5.432 1.00 0.00 N ATOM 963 CD2 HIS A 64 3.610 10.911 -4.730 1.00 0.00 C ATOM 964 CE1 HIS A 64 4.947 10.329 -6.367 1.00 0.00 C ATOM 965 NE2 HIS A 64 4.099 11.258 -5.965 1.00 0.00 N ATOM 0 H HIS A 64 2.172 10.475 -2.750 1.00 0.00 H new ATOM 0 HA HIS A 64 2.279 7.802 -3.746 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.377 9.456 -2.292 1.00 0.00 H new ATOM 0 HB3 HIS A 64 4.678 8.017 -3.245 1.00 0.00 H new ATOM 0 HD1 HIS A 64 5.599 8.560 -5.478 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.897 11.471 -4.143 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.489 10.330 -7.301 1.00 0.00 H new ATOM 973 N VAL A 65 2.128 6.341 -1.766 1.00 0.00 N ATOM 974 CA VAL A 65 2.020 5.446 -0.621 1.00 0.00 C ATOM 975 C VAL A 65 2.623 4.080 -0.932 1.00 0.00 C ATOM 976 O VAL A 65 2.960 3.785 -2.079 1.00 0.00 O ATOM 977 CB VAL A 65 0.554 5.260 -0.189 1.00 0.00 C ATOM 978 CG1 VAL A 65 0.066 6.477 0.583 1.00 0.00 C ATOM 979 CG2 VAL A 65 -0.329 4.998 -1.400 1.00 0.00 C ATOM 0 H VAL A 65 1.872 5.917 -2.658 1.00 0.00 H new ATOM 0 HA VAL A 65 2.575 5.909 0.195 1.00 0.00 H new ATOM 0 HB VAL A 65 0.495 4.394 0.470 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.972 6.327 0.880 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.682 6.615 1.472 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.138 7.362 -0.049 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.362 4.869 -1.076 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.267 5.843 -2.085 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.008 4.094 -1.907 1.00 0.00 H new ATOM 989 N PHE A 66 2.756 3.250 0.097 1.00 0.00 N ATOM 990 CA PHE A 66 3.319 1.915 -0.066 1.00 0.00 C ATOM 991 C PHE A 66 2.548 0.894 0.766 1.00 0.00 C ATOM 992 O PHE A 66 2.462 1.011 1.988 1.00 0.00 O ATOM 993 CB PHE A 66 4.795 1.908 0.338 1.00 0.00 C ATOM 994 CG PHE A 66 5.341 0.531 0.591 1.00 0.00 C ATOM 995 CD1 PHE A 66 5.909 -0.203 -0.438 1.00 0.00 C ATOM 996 CD2 PHE A 66 5.286 -0.028 1.857 1.00 0.00 C ATOM 997 CE1 PHE A 66 6.412 -1.470 -0.207 1.00 0.00 C ATOM 998 CE2 PHE A 66 5.787 -1.294 2.093 1.00 0.00 C ATOM 999 CZ PHE A 66 6.351 -2.016 1.060 1.00 0.00 C ATOM 0 H PHE A 66 2.482 3.478 1.053 1.00 0.00 H new ATOM 0 HA PHE A 66 3.235 1.639 -1.117 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.381 2.384 -0.448 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.920 2.511 1.238 1.00 0.00 H new ATOM 0 HD1 PHE A 66 5.959 0.219 -1.431 1.00 0.00 H new ATOM 0 HD2 PHE A 66 4.846 0.532 2.669 1.00 0.00 H new ATOM 0 HE1 PHE A 66 6.852 -2.032 -1.017 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.737 -1.718 3.085 1.00 0.00 H new ATOM 0 HZ PHE A 66 6.744 -3.005 1.242 1.00 0.00 H new ATOM 1009 N TYR A 67 1.989 -0.106 0.094 1.00 0.00 N ATOM 1010 CA TYR A 67 1.222 -1.146 0.770 1.00 0.00 C ATOM 1011 C TYR A 67 2.123 -1.992 1.665 1.00 0.00 C ATOM 1012 O TYR A 67 2.972 -2.741 1.180 1.00 0.00 O ATOM 1013 CB TYR A 67 0.520 -2.038 -0.255 1.00 0.00 C ATOM 1014 CG TYR A 67 -0.567 -1.330 -1.031 1.00 0.00 C ATOM 1015 CD1 TYR A 67 -0.253 -0.419 -2.032 1.00 0.00 C ATOM 1016 CD2 TYR A 67 -1.909 -1.572 -0.764 1.00 0.00 C ATOM 1017 CE1 TYR A 67 -1.243 0.232 -2.743 1.00 0.00 C ATOM 1018 CE2 TYR A 67 -2.906 -0.927 -1.470 1.00 0.00 C ATOM 1019 CZ TYR A 67 -2.568 -0.026 -2.458 1.00 0.00 C ATOM 1020 OH TYR A 67 -3.557 0.619 -3.165 1.00 0.00 O ATOM 0 H TYR A 67 2.052 -0.219 -0.918 1.00 0.00 H new ATOM 0 HA TYR A 67 0.472 -0.661 1.395 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.261 -2.425 -0.955 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.087 -2.896 0.259 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.783 -0.216 -2.258 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.177 -2.277 0.009 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.981 0.938 -3.517 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.944 -1.127 -1.250 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.434 0.325 -2.843 1.00 0.00 H new ATOM 1030 N ILE A 68 1.929 -1.868 2.973 1.00 0.00 N ATOM 1031 CA ILE A 68 2.722 -2.622 3.937 1.00 0.00 C ATOM 1032 C ILE A 68 2.154 -4.022 4.140 1.00 0.00 C ATOM 1033 O ILE A 68 2.470 -4.696 5.121 1.00 0.00 O ATOM 1034 CB ILE A 68 2.786 -1.904 5.298 1.00 0.00 C ATOM 1035 CG1 ILE A 68 1.477 -2.102 6.066 1.00 0.00 C ATOM 1036 CG2 ILE A 68 3.071 -0.422 5.102 1.00 0.00 C ATOM 1037 CD1 ILE A 68 1.495 -1.503 7.455 1.00 0.00 C ATOM 0 H ILE A 68 1.230 -1.253 3.390 1.00 0.00 H new ATOM 0 HA ILE A 68 3.729 -2.697 3.527 1.00 0.00 H new ATOM 0 HB ILE A 68 3.598 -2.337 5.882 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.661 -1.656 5.498 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.267 -3.169 6.142 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.113 0.072 6.073 1.00 0.00 H new ATOM 0 HG22 ILE A 68 4.026 -0.300 4.591 1.00 0.00 H new ATOM 0 HG23 ILE A 68 2.278 0.025 4.502 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.535 -1.681 7.941 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.289 -1.966 8.041 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.673 -0.430 7.386 1.00 0.00 H new ATOM 1049 N ASP A 69 1.315 -4.456 3.206 1.00 0.00 N ATOM 1050 CA ASP A 69 0.704 -5.778 3.280 1.00 0.00 C ATOM 1051 C ASP A 69 1.259 -6.694 2.194 1.00 0.00 C ATOM 1052 O ASP A 69 1.388 -7.902 2.394 1.00 0.00 O ATOM 1053 CB ASP A 69 -0.816 -5.670 3.146 1.00 0.00 C ATOM 1054 CG ASP A 69 -1.421 -4.724 4.164 1.00 0.00 C ATOM 1055 OD1 ASP A 69 -1.308 -5.006 5.375 1.00 0.00 O ATOM 1056 OD2 ASP A 69 -2.008 -3.702 3.750 1.00 0.00 O ATOM 0 H ASP A 69 1.042 -3.911 2.388 1.00 0.00 H new ATOM 0 HA ASP A 69 0.945 -6.208 4.252 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -1.066 -5.327 2.142 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.259 -6.659 3.265 1.00 0.00 H new ATOM 1061 N TYR A 70 1.584 -6.112 1.045 1.00 0.00 N ATOM 1062 CA TYR A 70 2.122 -6.877 -0.074 1.00 0.00 C ATOM 1063 C TYR A 70 3.552 -6.449 -0.389 1.00 0.00 C ATOM 1064 O TYR A 70 4.428 -7.284 -0.611 1.00 0.00 O ATOM 1065 CB TYR A 70 1.240 -6.699 -1.311 1.00 0.00 C ATOM 1066 CG TYR A 70 -0.212 -7.048 -1.074 1.00 0.00 C ATOM 1067 CD1 TYR A 70 -1.012 -6.259 -0.256 1.00 0.00 C ATOM 1068 CD2 TYR A 70 -0.785 -8.165 -1.669 1.00 0.00 C ATOM 1069 CE1 TYR A 70 -2.339 -6.574 -0.037 1.00 0.00 C ATOM 1070 CE2 TYR A 70 -2.111 -8.487 -1.457 1.00 0.00 C ATOM 1071 CZ TYR A 70 -2.884 -7.689 -0.639 1.00 0.00 C ATOM 1072 OH TYR A 70 -4.206 -8.005 -0.424 1.00 0.00 O ATOM 0 H TYR A 70 1.484 -5.113 0.864 1.00 0.00 H new ATOM 0 HA TYR A 70 2.131 -7.930 0.209 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.306 -5.665 -1.648 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.628 -7.322 -2.117 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.589 -5.385 0.216 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -0.183 -8.793 -2.309 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.947 -5.951 0.602 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -2.540 -9.358 -1.929 1.00 0.00 H new ATOM 0 HH TYR A 70 -4.769 -7.242 -0.672 1.00 0.00 H new ATOM 1082 N GLY A 71 3.781 -5.139 -0.406 1.00 0.00 N ATOM 1083 CA GLY A 71 5.105 -4.621 -0.695 1.00 0.00 C ATOM 1084 C GLY A 71 5.171 -3.909 -2.031 1.00 0.00 C ATOM 1085 O GLY A 71 6.133 -4.070 -2.781 1.00 0.00 O ATOM 0 H GLY A 71 3.073 -4.428 -0.225 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.402 -3.932 0.095 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.822 -5.442 -0.689 1.00 0.00 H new ATOM 1089 N ASN A 72 4.144 -3.121 -2.332 1.00 0.00 N ATOM 1090 CA ASN A 72 4.088 -2.384 -3.589 1.00 0.00 C ATOM 1091 C ASN A 72 3.825 -0.902 -3.339 1.00 0.00 C ATOM 1092 O ASN A 72 3.498 -0.499 -2.223 1.00 0.00 O ATOM 1093 CB ASN A 72 2.998 -2.961 -4.495 1.00 0.00 C ATOM 1094 CG ASN A 72 3.325 -2.800 -5.967 1.00 0.00 C ATOM 1095 OD1 ASN A 72 4.252 -3.426 -6.480 1.00 0.00 O ATOM 1096 ND2 ASN A 72 2.562 -1.956 -6.653 1.00 0.00 N ATOM 0 H ASN A 72 3.339 -2.976 -1.722 1.00 0.00 H new ATOM 0 HA ASN A 72 5.054 -2.485 -4.084 1.00 0.00 H new ATOM 0 HB2 ASN A 72 2.864 -4.019 -4.269 1.00 0.00 H new ATOM 0 HB3 ASN A 72 2.051 -2.466 -4.280 1.00 0.00 H new ATOM 0 HD21 ASN A 72 2.734 -1.806 -7.647 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.804 -1.458 -6.186 1.00 0.00 H new ATOM 1103 N ARG A 73 3.969 -0.096 -4.386 1.00 0.00 N ATOM 1104 CA ARG A 73 3.748 1.341 -4.280 1.00 0.00 C ATOM 1105 C ARG A 73 2.772 1.821 -5.350 1.00 0.00 C ATOM 1106 O ARG A 73 2.811 1.360 -6.490 1.00 0.00 O ATOM 1107 CB ARG A 73 5.074 2.093 -4.409 1.00 0.00 C ATOM 1108 CG ARG A 73 6.218 1.447 -3.645 1.00 0.00 C ATOM 1109 CD ARG A 73 7.554 1.695 -4.328 1.00 0.00 C ATOM 1110 NE ARG A 73 7.716 0.876 -5.527 1.00 0.00 N ATOM 1111 CZ ARG A 73 8.863 0.757 -6.186 1.00 0.00 C ATOM 1112 NH1 ARG A 73 9.943 1.401 -5.766 1.00 0.00 N ATOM 1113 NH2 ARG A 73 8.931 -0.007 -7.269 1.00 0.00 N ATOM 0 H ARG A 73 4.238 -0.414 -5.317 1.00 0.00 H new ATOM 0 HA ARG A 73 3.316 1.546 -3.301 1.00 0.00 H new ATOM 0 HB2 ARG A 73 5.344 2.158 -5.463 1.00 0.00 H new ATOM 0 HB3 ARG A 73 4.939 3.114 -4.050 1.00 0.00 H new ATOM 0 HG2 ARG A 73 6.248 1.843 -2.630 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.043 0.374 -3.564 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.635 2.749 -4.595 1.00 0.00 H new ATOM 0 HD3 ARG A 73 8.363 1.480 -3.630 1.00 0.00 H new ATOM 0 HE ARG A 73 6.904 0.368 -5.877 1.00 0.00 H new ATOM 0 HH11 ARG A 73 9.895 1.990 -4.935 1.00 0.00 H new ATOM 0 HH12 ARG A 73 10.822 1.308 -6.274 1.00 0.00 H new ATOM 0 HH21 ARG A 73 8.102 -0.503 -7.596 1.00 0.00 H new ATOM 0 HH22 ARG A 73 9.812 -0.098 -7.775 1.00 0.00 H new ATOM 1127 N GLU A 74 1.897 2.748 -4.973 1.00 0.00 N ATOM 1128 CA GLU A 74 0.911 3.289 -5.901 1.00 0.00 C ATOM 1129 C GLU A 74 0.515 4.709 -5.507 1.00 0.00 C ATOM 1130 O GLU A 74 0.243 4.989 -4.339 1.00 0.00 O ATOM 1131 CB GLU A 74 -0.330 2.394 -5.939 1.00 0.00 C ATOM 1132 CG GLU A 74 -1.321 2.773 -7.027 1.00 0.00 C ATOM 1133 CD GLU A 74 -0.941 2.211 -8.383 1.00 0.00 C ATOM 1134 OE1 GLU A 74 -1.268 1.035 -8.649 1.00 0.00 O ATOM 1135 OE2 GLU A 74 -0.318 2.946 -9.177 1.00 0.00 O ATOM 0 H GLU A 74 1.851 3.140 -4.032 1.00 0.00 H new ATOM 0 HA GLU A 74 1.361 3.318 -6.893 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.018 1.360 -6.088 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.830 2.440 -4.972 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.312 2.411 -6.753 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.385 3.859 -7.093 1.00 0.00 H new ATOM 1142 N VAL A 75 0.485 5.603 -6.491 1.00 0.00 N ATOM 1143 CA VAL A 75 0.122 6.994 -6.249 1.00 0.00 C ATOM 1144 C VAL A 75 -1.388 7.189 -6.319 1.00 0.00 C ATOM 1145 O VAL A 75 -1.958 7.327 -7.402 1.00 0.00 O ATOM 1146 CB VAL A 75 0.798 7.935 -7.264 1.00 0.00 C ATOM 1147 CG1 VAL A 75 0.395 9.379 -7.004 1.00 0.00 C ATOM 1148 CG2 VAL A 75 2.310 7.777 -7.211 1.00 0.00 C ATOM 0 H VAL A 75 0.708 5.388 -7.463 1.00 0.00 H new ATOM 0 HA VAL A 75 0.471 7.242 -5.246 1.00 0.00 H new ATOM 0 HB VAL A 75 0.462 7.664 -8.265 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.882 10.029 -7.731 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.687 9.477 -7.097 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.700 9.666 -5.998 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.772 8.449 -7.934 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.666 8.021 -6.210 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.577 6.748 -7.450 1.00 0.00 H new ATOM 1158 N LEU A 76 -2.032 7.198 -5.157 1.00 0.00 N ATOM 1159 CA LEU A 76 -3.479 7.377 -5.086 1.00 0.00 C ATOM 1160 C LEU A 76 -3.832 8.699 -4.413 1.00 0.00 C ATOM 1161 O LEU A 76 -3.082 9.224 -3.589 1.00 0.00 O ATOM 1162 CB LEU A 76 -4.118 6.216 -4.322 1.00 0.00 C ATOM 1163 CG LEU A 76 -3.668 4.813 -4.732 1.00 0.00 C ATOM 1164 CD1 LEU A 76 -3.750 3.859 -3.551 1.00 0.00 C ATOM 1165 CD2 LEU A 76 -4.508 4.301 -5.893 1.00 0.00 C ATOM 0 H LEU A 76 -1.576 7.084 -4.252 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.869 7.394 -6.104 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.909 6.347 -3.260 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.199 6.279 -4.444 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.629 4.867 -5.057 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.426 2.866 -3.862 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.104 4.217 -2.749 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.779 3.810 -3.194 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.174 3.302 -6.171 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.556 4.263 -5.595 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.397 4.971 -6.746 1.00 0.00 H new ATOM 1177 N PRO A 77 -5.002 9.250 -4.768 1.00 0.00 N ATOM 1178 CA PRO A 77 -5.482 10.517 -4.209 1.00 0.00 C ATOM 1179 C PRO A 77 -5.876 10.390 -2.741 1.00 0.00 C ATOM 1180 O PRO A 77 -5.871 9.294 -2.180 1.00 0.00 O ATOM 1181 CB PRO A 77 -6.709 10.841 -5.065 1.00 0.00 C ATOM 1182 CG PRO A 77 -7.180 9.520 -5.567 1.00 0.00 C ATOM 1183 CD PRO A 77 -5.945 8.680 -5.744 1.00 0.00 C ATOM 0 HA PRO A 77 -4.713 11.290 -4.232 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -7.481 11.340 -4.478 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.453 11.509 -5.888 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -7.869 9.057 -4.860 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.716 9.629 -6.510 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.143 7.627 -5.544 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.558 8.744 -6.761 1.00 0.00 H new ATOM 1191 N SER A 78 -6.219 11.517 -2.125 1.00 0.00 N ATOM 1192 CA SER A 78 -6.612 11.531 -0.721 1.00 0.00 C ATOM 1193 C SER A 78 -8.034 11.005 -0.550 1.00 0.00 C ATOM 1194 O SER A 78 -8.568 10.970 0.559 1.00 0.00 O ATOM 1195 CB SER A 78 -6.510 12.949 -0.155 1.00 0.00 C ATOM 1196 OG SER A 78 -7.669 13.705 -0.459 1.00 0.00 O ATOM 0 H SER A 78 -6.233 12.432 -2.576 1.00 0.00 H new ATOM 0 HA SER A 78 -5.933 10.878 -0.173 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.375 12.904 0.926 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.631 13.445 -0.565 1.00 0.00 H new ATOM 0 HG SER A 78 -7.579 14.606 -0.085 1.00 0.00 H new ATOM 1202 N THR A 79 -8.645 10.597 -1.659 1.00 0.00 N ATOM 1203 CA THR A 79 -10.005 10.074 -1.634 1.00 0.00 C ATOM 1204 C THR A 79 -10.015 8.585 -1.308 1.00 0.00 C ATOM 1205 O THR A 79 -10.890 8.104 -0.587 1.00 0.00 O ATOM 1206 CB THR A 79 -10.718 10.298 -2.981 1.00 0.00 C ATOM 1207 OG1 THR A 79 -9.949 9.722 -4.043 1.00 0.00 O ATOM 1208 CG2 THR A 79 -10.924 11.782 -3.244 1.00 0.00 C ATOM 0 H THR A 79 -8.219 10.619 -2.585 1.00 0.00 H new ATOM 0 HA THR A 79 -10.539 10.618 -0.854 1.00 0.00 H new ATOM 0 HB THR A 79 -11.694 9.815 -2.936 1.00 0.00 H new ATOM 0 HG1 THR A 79 -10.409 9.867 -4.896 1.00 0.00 H new ATOM 0 HG21 THR A 79 -11.429 11.915 -4.201 1.00 0.00 H new ATOM 0 HG22 THR A 79 -11.534 12.211 -2.449 1.00 0.00 H new ATOM 0 HG23 THR A 79 -9.957 12.284 -3.271 1.00 0.00 H new ATOM 1216 N ARG A 80 -9.038 7.860 -1.843 1.00 0.00 N ATOM 1217 CA ARG A 80 -8.936 6.424 -1.608 1.00 0.00 C ATOM 1218 C ARG A 80 -8.259 6.139 -0.271 1.00 0.00 C ATOM 1219 O ARG A 80 -8.139 4.984 0.142 1.00 0.00 O ATOM 1220 CB ARG A 80 -8.155 5.756 -2.741 1.00 0.00 C ATOM 1221 CG ARG A 80 -8.243 6.500 -4.064 1.00 0.00 C ATOM 1222 CD ARG A 80 -8.025 5.566 -5.244 1.00 0.00 C ATOM 1223 NE ARG A 80 -8.438 6.174 -6.506 1.00 0.00 N ATOM 1224 CZ ARG A 80 -8.367 5.553 -7.678 1.00 0.00 C ATOM 1225 NH1 ARG A 80 -7.903 4.313 -7.749 1.00 0.00 N ATOM 1226 NH2 ARG A 80 -8.762 6.173 -8.783 1.00 0.00 N ATOM 0 H ARG A 80 -8.306 8.243 -2.442 1.00 0.00 H new ATOM 0 HA ARG A 80 -9.945 6.012 -1.579 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -7.108 5.673 -2.449 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -8.528 4.741 -2.879 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -9.220 6.976 -4.151 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -7.498 7.295 -4.086 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -6.971 5.293 -5.301 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -8.585 4.644 -5.085 1.00 0.00 H new ATOM 0 HE ARG A 80 -8.801 7.127 -6.486 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -7.599 3.833 -6.902 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -7.850 3.839 -8.651 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -9.120 7.127 -8.732 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -8.707 5.696 -9.683 1.00 0.00 H new ATOM 1240 N LEU A 81 -7.817 7.196 0.400 1.00 0.00 N ATOM 1241 CA LEU A 81 -7.151 7.060 1.691 1.00 0.00 C ATOM 1242 C LEU A 81 -8.107 7.384 2.834 1.00 0.00 C ATOM 1243 O LEU A 81 -8.918 8.304 2.736 1.00 0.00 O ATOM 1244 CB LEU A 81 -5.929 7.978 1.756 1.00 0.00 C ATOM 1245 CG LEU A 81 -4.850 7.736 0.700 1.00 0.00 C ATOM 1246 CD1 LEU A 81 -3.832 8.866 0.708 1.00 0.00 C ATOM 1247 CD2 LEU A 81 -4.165 6.398 0.935 1.00 0.00 C ATOM 0 H LEU A 81 -7.908 8.158 0.072 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.826 6.025 1.797 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.270 9.010 1.668 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.474 7.875 2.741 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.327 7.711 -0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.072 8.676 -0.050 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.334 9.809 0.491 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.360 8.923 1.689 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.400 6.242 0.174 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.702 6.395 1.922 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.902 5.597 0.878 1.00 0.00 H new ATOM 1259 N GLY A 82 -8.004 6.623 3.919 1.00 0.00 N ATOM 1260 CA GLY A 82 -8.864 6.846 5.067 1.00 0.00 C ATOM 1261 C GLY A 82 -8.160 6.572 6.381 1.00 0.00 C ATOM 1262 O GLY A 82 -7.035 6.070 6.399 1.00 0.00 O ATOM 0 H GLY A 82 -7.340 5.856 4.024 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.219 7.877 5.057 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.743 6.206 4.989 1.00 0.00 H new ATOM 1266 N THR A 83 -8.822 6.903 7.485 1.00 0.00 N ATOM 1267 CA THR A 83 -8.252 6.692 8.810 1.00 0.00 C ATOM 1268 C THR A 83 -8.150 5.206 9.135 1.00 0.00 C ATOM 1269 O THR A 83 -9.161 4.508 9.219 1.00 0.00 O ATOM 1270 CB THR A 83 -9.090 7.388 9.899 1.00 0.00 C ATOM 1271 OG1 THR A 83 -9.494 8.686 9.452 1.00 0.00 O ATOM 1272 CG2 THR A 83 -8.298 7.515 11.192 1.00 0.00 C ATOM 0 H THR A 83 -9.754 7.318 7.488 1.00 0.00 H new ATOM 0 HA THR A 83 -7.253 7.127 8.797 1.00 0.00 H new ATOM 0 HB THR A 83 -9.974 6.779 10.091 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.028 9.121 10.150 1.00 0.00 H new ATOM 0 HG21 THR A 83 -8.910 8.009 11.946 1.00 0.00 H new ATOM 0 HG22 THR A 83 -8.017 6.523 11.546 1.00 0.00 H new ATOM 0 HG23 THR A 83 -7.399 8.104 11.011 1.00 0.00 H new ATOM 1280 N LEU A 84 -6.924 4.729 9.317 1.00 0.00 N ATOM 1281 CA LEU A 84 -6.689 3.324 9.634 1.00 0.00 C ATOM 1282 C LEU A 84 -7.014 3.034 11.096 1.00 0.00 C ATOM 1283 O LEU A 84 -6.321 3.501 12.000 1.00 0.00 O ATOM 1284 CB LEU A 84 -5.236 2.950 9.338 1.00 0.00 C ATOM 1285 CG LEU A 84 -4.748 1.630 9.936 1.00 0.00 C ATOM 1286 CD1 LEU A 84 -5.601 0.472 9.441 1.00 0.00 C ATOM 1287 CD2 LEU A 84 -3.283 1.399 9.595 1.00 0.00 C ATOM 0 H LEU A 84 -6.077 5.294 9.251 1.00 0.00 H new ATOM 0 HA LEU A 84 -7.347 2.721 9.008 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.106 2.906 8.257 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.594 3.751 9.704 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.843 1.687 11.020 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.239 -0.459 9.877 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.638 0.632 9.736 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.538 0.412 8.354 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.953 0.455 10.029 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.163 1.363 8.512 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.682 2.214 9.999 1.00 0.00 H new ATOM 1299 N SER A 85 -8.070 2.259 11.320 1.00 0.00 N ATOM 1300 CA SER A 85 -8.487 1.907 12.672 1.00 0.00 C ATOM 1301 C SER A 85 -7.358 1.211 13.426 1.00 0.00 C ATOM 1302 O SER A 85 -6.571 0.455 12.856 1.00 0.00 O ATOM 1303 CB SER A 85 -9.721 1.003 12.629 1.00 0.00 C ATOM 1304 OG SER A 85 -10.072 0.559 13.928 1.00 0.00 O ATOM 0 H SER A 85 -8.653 1.863 10.582 1.00 0.00 H new ATOM 0 HA SER A 85 -8.738 2.828 13.199 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.558 1.545 12.188 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.524 0.144 11.988 1.00 0.00 H new ATOM 0 HG SER A 85 -10.864 -0.015 13.874 1.00 0.00 H new ATOM 1310 N PRO A 86 -7.276 1.471 14.739 1.00 0.00 N ATOM 1311 CA PRO A 86 -6.248 0.879 15.600 1.00 0.00 C ATOM 1312 C PRO A 86 -6.457 -0.617 15.809 1.00 0.00 C ATOM 1313 O PRO A 86 -5.520 -1.345 16.134 1.00 0.00 O ATOM 1314 CB PRO A 86 -6.415 1.632 16.922 1.00 0.00 C ATOM 1315 CG PRO A 86 -7.834 2.087 16.922 1.00 0.00 C ATOM 1316 CD PRO A 86 -8.181 2.362 15.484 1.00 0.00 C ATOM 0 HA PRO A 86 -5.252 0.969 15.166 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -6.206 0.986 17.775 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -5.729 2.476 16.986 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -8.489 1.323 17.342 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -7.957 2.983 17.531 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.227 2.140 15.273 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -8.019 3.408 15.224 1.00 0.00 H new ATOM 1324 N ALA A 87 -7.693 -1.069 15.620 1.00 0.00 N ATOM 1325 CA ALA A 87 -8.024 -2.478 15.786 1.00 0.00 C ATOM 1326 C ALA A 87 -7.476 -3.311 14.632 1.00 0.00 C ATOM 1327 O ALA A 87 -7.081 -4.462 14.816 1.00 0.00 O ATOM 1328 CB ALA A 87 -9.531 -2.656 15.899 1.00 0.00 C ATOM 0 H ALA A 87 -8.481 -0.479 15.352 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.557 -2.829 16.706 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -9.764 -3.714 16.023 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -9.899 -2.100 16.761 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.010 -2.282 14.994 1.00 0.00 H new ATOM 1334 N PHE A 88 -7.455 -2.721 13.441 1.00 0.00 N ATOM 1335 CA PHE A 88 -6.957 -3.409 12.256 1.00 0.00 C ATOM 1336 C PHE A 88 -5.551 -2.934 11.902 1.00 0.00 C ATOM 1337 O PHE A 88 -4.886 -3.513 11.043 1.00 0.00 O ATOM 1338 CB PHE A 88 -7.899 -3.178 11.072 1.00 0.00 C ATOM 1339 CG PHE A 88 -9.346 -3.408 11.403 1.00 0.00 C ATOM 1340 CD1 PHE A 88 -9.763 -4.612 11.948 1.00 0.00 C ATOM 1341 CD2 PHE A 88 -10.289 -2.420 11.169 1.00 0.00 C ATOM 1342 CE1 PHE A 88 -11.093 -4.826 12.254 1.00 0.00 C ATOM 1343 CE2 PHE A 88 -11.621 -2.629 11.474 1.00 0.00 C ATOM 1344 CZ PHE A 88 -12.024 -3.834 12.015 1.00 0.00 C ATOM 0 H PHE A 88 -7.777 -1.768 13.271 1.00 0.00 H new ATOM 0 HA PHE A 88 -6.916 -4.476 12.476 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.775 -2.156 10.713 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -7.612 -3.840 10.255 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -9.040 -5.392 12.136 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -9.980 -1.477 10.744 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -11.405 -5.768 12.680 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.346 -1.850 11.289 1.00 0.00 H new ATOM 0 HZ PHE A 88 -13.065 -4.000 12.251 1.00 0.00 H new ATOM 1354 N SER A 89 -5.105 -1.876 12.570 1.00 0.00 N ATOM 1355 CA SER A 89 -3.780 -1.319 12.324 1.00 0.00 C ATOM 1356 C SER A 89 -2.705 -2.394 12.458 1.00 0.00 C ATOM 1357 O SER A 89 -2.848 -3.339 13.235 1.00 0.00 O ATOM 1358 CB SER A 89 -3.495 -0.174 13.298 1.00 0.00 C ATOM 1359 OG SER A 89 -2.108 -0.065 13.567 1.00 0.00 O ATOM 0 H SER A 89 -5.642 -1.387 13.286 1.00 0.00 H new ATOM 0 HA SER A 89 -3.759 -0.933 11.305 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.862 0.763 12.879 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.037 -0.341 14.229 1.00 0.00 H new ATOM 0 HG SER A 89 -1.975 0.433 14.400 1.00 0.00 H new ATOM 1365 N THR A 90 -1.627 -2.243 11.695 1.00 0.00 N ATOM 1366 CA THR A 90 -0.529 -3.200 11.726 1.00 0.00 C ATOM 1367 C THR A 90 -0.044 -3.434 13.152 1.00 0.00 C ATOM 1368 O THR A 90 0.647 -4.415 13.429 1.00 0.00 O ATOM 1369 CB THR A 90 0.656 -2.723 10.864 1.00 0.00 C ATOM 1370 OG1 THR A 90 1.644 -3.756 10.776 1.00 0.00 O ATOM 1371 CG2 THR A 90 1.280 -1.466 11.451 1.00 0.00 C ATOM 0 H THR A 90 -1.491 -1.466 11.048 1.00 0.00 H new ATOM 0 HA THR A 90 -0.913 -4.135 11.318 1.00 0.00 H new ATOM 0 HB THR A 90 0.282 -2.492 9.866 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.483 -4.423 11.475 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.114 -1.148 10.826 1.00 0.00 H new ATOM 0 HG22 THR A 90 0.533 -0.673 11.490 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.640 -1.675 12.458 1.00 0.00 H new ATOM 1379 N ARG A 91 -0.410 -2.529 14.053 1.00 0.00 N ATOM 1380 CA ARG A 91 -0.012 -2.638 15.451 1.00 0.00 C ATOM 1381 C ARG A 91 -0.288 -4.039 15.988 1.00 0.00 C ATOM 1382 O ARG A 91 0.379 -4.503 16.913 1.00 0.00 O ATOM 1383 CB ARG A 91 -0.753 -1.600 16.297 1.00 0.00 C ATOM 1384 CG ARG A 91 -0.038 -0.262 16.384 1.00 0.00 C ATOM 1385 CD ARG A 91 -0.690 0.652 17.410 1.00 0.00 C ATOM 1386 NE ARG A 91 -1.760 1.455 16.825 1.00 0.00 N ATOM 1387 CZ ARG A 91 -1.546 2.519 16.059 1.00 0.00 C ATOM 1388 NH1 ARG A 91 -0.307 2.904 15.785 1.00 0.00 N ATOM 1389 NH2 ARG A 91 -2.572 3.198 15.563 1.00 0.00 N ATOM 0 H ARG A 91 -0.982 -1.712 13.840 1.00 0.00 H new ATOM 0 HA ARG A 91 1.060 -2.449 15.513 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.747 -1.445 15.877 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -0.890 -1.995 17.304 1.00 0.00 H new ATOM 0 HG2 ARG A 91 1.007 -0.423 16.650 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.047 0.221 15.407 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -1.092 0.052 18.227 1.00 0.00 H new ATOM 0 HD3 ARG A 91 0.064 1.311 17.840 1.00 0.00 H new ATOM 0 HE ARG A 91 -2.725 1.184 17.015 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.484 2.383 16.163 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -0.145 3.721 15.197 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -3.526 2.903 15.770 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -2.407 4.015 14.975 1.00 0.00 H new ATOM 1403 N VAL A 92 -1.276 -4.708 15.402 1.00 0.00 N ATOM 1404 CA VAL A 92 -1.640 -6.056 15.820 1.00 0.00 C ATOM 1405 C VAL A 92 -0.944 -7.105 14.961 1.00 0.00 C ATOM 1406 O VAL A 92 -0.497 -8.138 15.462 1.00 0.00 O ATOM 1407 CB VAL A 92 -3.163 -6.275 15.745 1.00 0.00 C ATOM 1408 CG1 VAL A 92 -3.566 -7.505 16.543 1.00 0.00 C ATOM 1409 CG2 VAL A 92 -3.903 -5.042 16.240 1.00 0.00 C ATOM 0 H VAL A 92 -1.839 -4.338 14.636 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.315 -6.165 16.855 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.438 -6.442 14.703 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.645 -7.643 16.478 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.063 -8.383 16.138 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.279 -7.372 17.586 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.978 -5.214 16.180 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.625 -4.842 17.275 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.638 -4.185 15.621 1.00 0.00 H new ATOM 1419 N LEU A 93 -0.854 -6.834 13.663 1.00 0.00 N ATOM 1420 CA LEU A 93 -0.211 -7.755 12.732 1.00 0.00 C ATOM 1421 C LEU A 93 0.965 -7.085 12.029 1.00 0.00 C ATOM 1422 O LEU A 93 0.887 -5.936 11.594 1.00 0.00 O ATOM 1423 CB LEU A 93 -1.221 -8.255 11.698 1.00 0.00 C ATOM 1424 CG LEU A 93 -0.857 -9.552 10.975 1.00 0.00 C ATOM 1425 CD1 LEU A 93 -0.890 -10.728 11.939 1.00 0.00 C ATOM 1426 CD2 LEU A 93 -1.798 -9.793 9.804 1.00 0.00 C ATOM 0 H LEU A 93 -1.218 -5.984 13.232 1.00 0.00 H new ATOM 0 HA LEU A 93 0.166 -8.604 13.302 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.180 -8.397 12.196 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.363 -7.474 10.951 1.00 0.00 H new ATOM 0 HG LEU A 93 0.157 -9.456 10.586 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.628 -11.642 11.407 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.174 -10.559 12.744 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.891 -10.826 12.359 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.523 -10.721 9.302 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.822 -9.868 10.170 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.723 -8.964 9.101 1.00 0.00 H new ATOM 1438 N PRO A 94 2.081 -7.819 11.911 1.00 0.00 N ATOM 1439 CA PRO A 94 3.294 -7.318 11.258 1.00 0.00 C ATOM 1440 C PRO A 94 3.119 -7.163 9.751 1.00 0.00 C ATOM 1441 O PRO A 94 2.464 -7.981 9.106 1.00 0.00 O ATOM 1442 CB PRO A 94 4.336 -8.395 11.569 1.00 0.00 C ATOM 1443 CG PRO A 94 3.542 -9.637 11.787 1.00 0.00 C ATOM 1444 CD PRO A 94 2.245 -9.197 12.406 1.00 0.00 C ATOM 0 HA PRO A 94 3.569 -6.325 11.615 1.00 0.00 H new ATOM 0 HB2 PRO A 94 5.040 -8.514 10.746 1.00 0.00 H new ATOM 0 HB3 PRO A 94 4.920 -8.138 12.453 1.00 0.00 H new ATOM 0 HG2 PRO A 94 3.368 -10.159 10.846 1.00 0.00 H new ATOM 0 HG3 PRO A 94 4.072 -10.329 12.442 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.416 -9.835 12.099 1.00 0.00 H new ATOM 0 HD3 PRO A 94 2.287 -9.231 13.495 1.00 0.00 H new ATOM 1452 N ALA A 95 3.710 -6.110 9.197 1.00 0.00 N ATOM 1453 CA ALA A 95 3.622 -5.851 7.765 1.00 0.00 C ATOM 1454 C ALA A 95 4.179 -7.020 6.960 1.00 0.00 C ATOM 1455 O ALA A 95 5.356 -7.359 7.075 1.00 0.00 O ATOM 1456 CB ALA A 95 4.360 -4.567 7.415 1.00 0.00 C ATOM 0 H ALA A 95 4.255 -5.423 9.718 1.00 0.00 H new ATOM 0 HA ALA A 95 2.570 -5.735 7.506 1.00 0.00 H new ATOM 0 HB1 ALA A 95 4.286 -4.386 6.343 1.00 0.00 H new ATOM 0 HB2 ALA A 95 3.914 -3.732 7.956 1.00 0.00 H new ATOM 0 HB3 ALA A 95 5.409 -4.662 7.696 1.00 0.00 H new ATOM 1462 N GLN A 96 3.325 -7.632 6.146 1.00 0.00 N ATOM 1463 CA GLN A 96 3.733 -8.764 5.323 1.00 0.00 C ATOM 1464 C GLN A 96 4.365 -8.290 4.018 1.00 0.00 C ATOM 1465 O GLN A 96 4.779 -9.098 3.188 1.00 0.00 O ATOM 1466 CB GLN A 96 2.532 -9.664 5.024 1.00 0.00 C ATOM 1467 CG GLN A 96 1.801 -10.136 6.270 1.00 0.00 C ATOM 1468 CD GLN A 96 2.677 -10.978 7.177 1.00 0.00 C ATOM 1469 OE1 GLN A 96 3.371 -11.887 6.720 1.00 0.00 O ATOM 1470 NE2 GLN A 96 2.651 -10.679 8.470 1.00 0.00 N ATOM 0 H GLN A 96 2.347 -7.363 6.039 1.00 0.00 H new ATOM 0 HA GLN A 96 4.477 -9.335 5.879 1.00 0.00 H new ATOM 0 HB2 GLN A 96 1.833 -9.123 4.386 1.00 0.00 H new ATOM 0 HB3 GLN A 96 2.871 -10.533 4.461 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.438 -9.270 6.824 1.00 0.00 H new ATOM 0 HG3 GLN A 96 0.926 -10.716 5.976 1.00 0.00 H new ATOM 0 HE21 GLN A 96 2.061 -9.917 8.806 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.221 -11.211 9.128 1.00 0.00 H new ATOM 1479 N ALA A 97 4.434 -6.974 3.845 1.00 0.00 N ATOM 1480 CA ALA A 97 5.017 -6.392 2.642 1.00 0.00 C ATOM 1481 C ALA A 97 6.464 -6.837 2.463 1.00 0.00 C ATOM 1482 O ALA A 97 7.198 -7.008 3.437 1.00 0.00 O ATOM 1483 CB ALA A 97 4.933 -4.874 2.696 1.00 0.00 C ATOM 0 H ALA A 97 4.094 -6.291 4.522 1.00 0.00 H new ATOM 0 HA ALA A 97 4.446 -6.746 1.784 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.372 -4.453 1.792 1.00 0.00 H new ATOM 0 HB2 ALA A 97 3.889 -4.570 2.768 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.478 -4.510 3.567 1.00 0.00 H new