USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=21 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 58 SER OG : rot 96:sc= 0.496 USER MOD Set 1.2: A 63 HIS : no HD1:sc= 0 K(o=0.88,f=0.36) USER MOD Set 1.3: A 65 TYR OH : rot 30:sc= 0.385 USER MOD Set 2.1: A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 27 MET CE :methyl 155:sc=-0.00183 (180deg=-1.14) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -1.39 K(o=-1.4,f=-4.3!) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.72 USER MOD Single : A 23 ASN : amide:sc= -0.297 X(o=-0.3,f=-0.3) USER MOD Single : A 24 SER OG : rot -63:sc= 1.15 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.152) USER MOD Single : A 32 SER OG : rot -160:sc= -0.221 USER MOD Single : A 36 LYS NZ :NH3+ -118:sc= -1.4 (180deg=-3.58!) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.319 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -3.24 K(o=-3.2,f=-2!) USER MOD Single : A 43 SER OG : rot -60:sc= 0.668 USER MOD Single : A 45 ASN : amide:sc= -1.37 K(o=-1.4,f=-7.7!) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 TYR OH : rot 180:sc= -0.241 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -143:sc= -0.874 (180deg=-2.01!) USER MOD Single : A 74 ASN : amide:sc= -1.08 K(o=-1.1,f=-3.6!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -76:sc= 0.743 USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 91 HIS : no HE2:sc= -1.56 K(o=-1.6,f=-3.4!) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 87 N ARG A 7 -17.323 1.292 -15.810 1.00 1.00 N ATOM 88 CA ARG A 7 -16.692 2.456 -15.181 1.00 1.00 C ATOM 89 C ARG A 7 -15.689 2.039 -14.096 1.00 1.00 C ATOM 90 O ARG A 7 -14.763 1.270 -14.355 1.00 1.00 O ATOM 91 CB ARG A 7 -17.774 3.365 -14.586 1.00 1.00 C ATOM 92 CG ARG A 7 -18.659 3.906 -15.708 1.00 1.00 C ATOM 93 CD ARG A 7 -19.744 4.804 -15.113 1.00 1.00 C ATOM 94 NE ARG A 7 -20.631 5.281 -16.172 1.00 1.00 N ATOM 95 CZ ARG A 7 -21.588 4.502 -16.679 1.00 1.00 C ATOM 96 NH1 ARG A 7 -21.746 3.285 -16.230 1.00 1.00 N ATOM 97 NH2 ARG A 7 -22.365 4.955 -17.625 1.00 1.00 N ATOM 0 HA ARG A 7 -16.137 2.999 -15.946 1.00 1.00 H new ATOM 0 HB2 ARG A 7 -18.377 2.809 -13.869 1.00 1.00 H new ATOM 0 HB3 ARG A 7 -17.313 4.190 -14.043 1.00 1.00 H new ATOM 0 HG2 ARG A 7 -18.057 4.469 -16.421 1.00 1.00 H new ATOM 0 HG3 ARG A 7 -19.115 3.081 -16.256 1.00 1.00 H new ATOM 0 HD2 ARG A 7 -20.317 4.252 -14.368 1.00 1.00 H new ATOM 0 HD3 ARG A 7 -19.287 5.651 -14.601 1.00 1.00 H new ATOM 0 HE ARG A 7 -20.516 6.229 -16.531 1.00 1.00 H new ATOM 0 HH11 ARG A 7 -21.138 2.931 -15.492 1.00 1.00 H new ATOM 0 HH12 ARG A 7 -22.478 2.689 -16.618 1.00 1.00 H new ATOM 0 HH21 ARG A 7 -22.240 5.904 -17.976 1.00 1.00 H new ATOM 0 HH22 ARG A 7 -23.097 4.360 -18.013 1.00 1.00 H new ATOM 111 N ASP A 8 -15.856 2.551 -12.881 1.00 1.00 N ATOM 112 CA ASP A 8 -14.966 2.228 -11.760 1.00 1.00 C ATOM 113 C ASP A 8 -13.492 2.156 -12.193 1.00 1.00 C ATOM 114 O ASP A 8 -12.975 1.074 -12.469 1.00 1.00 O ATOM 115 CB ASP A 8 -15.383 0.889 -11.151 1.00 1.00 C ATOM 116 CG ASP A 8 -16.830 0.972 -10.675 1.00 1.00 C ATOM 117 OD1 ASP A 8 -17.241 2.051 -10.280 1.00 1.00 O ATOM 118 OD2 ASP A 8 -17.507 -0.042 -10.717 1.00 1.00 O ATOM 0 H ASP A 8 -16.607 3.199 -12.641 1.00 1.00 H new ATOM 0 HA ASP A 8 -15.056 3.027 -11.024 1.00 1.00 H new ATOM 0 HB2 ASP A 8 -15.277 0.094 -11.889 1.00 1.00 H new ATOM 0 HB3 ASP A 8 -14.729 0.638 -10.316 1.00 1.00 H new ATOM 123 N PRO A 9 -12.789 3.254 -12.255 1.00 1.00 N ATOM 124 CA PRO A 9 -11.351 3.260 -12.665 1.00 1.00 C ATOM 125 C PRO A 9 -10.488 2.308 -11.831 1.00 1.00 C ATOM 126 O PRO A 9 -10.577 2.261 -10.604 1.00 1.00 O ATOM 127 CB PRO A 9 -10.914 4.735 -12.458 1.00 1.00 C ATOM 128 CG PRO A 9 -12.187 5.527 -12.542 1.00 1.00 C ATOM 129 CD PRO A 9 -13.279 4.617 -11.964 1.00 1.00 C ATOM 0 HA PRO A 9 -11.225 2.910 -13.690 1.00 1.00 H new ATOM 0 HB2 PRO A 9 -10.426 4.871 -11.493 1.00 1.00 H new ATOM 0 HB3 PRO A 9 -10.202 5.048 -13.222 1.00 1.00 H new ATOM 0 HG2 PRO A 9 -12.109 6.455 -11.975 1.00 1.00 H new ATOM 0 HG3 PRO A 9 -12.411 5.801 -13.573 1.00 1.00 H new ATOM 0 HD2 PRO A 9 -13.408 4.776 -10.893 1.00 1.00 H new ATOM 0 HD3 PRO A 9 -14.245 4.804 -12.432 1.00 1.00 H new ATOM 137 N THR A 10 -9.630 1.551 -12.506 1.00 1.00 N ATOM 138 CA THR A 10 -8.721 0.602 -11.836 1.00 1.00 C ATOM 139 C THR A 10 -7.289 0.844 -12.298 1.00 1.00 C ATOM 140 O THR A 10 -6.974 0.782 -13.486 1.00 1.00 O ATOM 141 CB THR A 10 -9.127 -0.840 -12.167 1.00 1.00 C ATOM 142 OG1 THR A 10 -10.481 -1.045 -11.789 1.00 1.00 O ATOM 143 CG2 THR A 10 -8.232 -1.826 -11.401 1.00 1.00 C ATOM 0 H THR A 10 -9.538 1.570 -13.522 1.00 1.00 H new ATOM 0 HA THR A 10 -8.786 0.754 -10.759 1.00 1.00 H new ATOM 0 HB THR A 10 -9.011 -1.008 -13.238 1.00 1.00 H new ATOM 0 HG1 THR A 10 -10.744 -1.965 -12.001 1.00 1.00 H new ATOM 0 HG21 THR A 10 -8.527 -2.847 -11.642 1.00 1.00 H new ATOM 0 HG22 THR A 10 -7.192 -1.671 -11.688 1.00 1.00 H new ATOM 0 HG23 THR A 10 -8.341 -1.660 -10.329 1.00 1.00 H new ATOM 151 N LEU A 11 -6.406 1.117 -11.342 1.00 1.00 N ATOM 152 CA LEU A 11 -4.988 1.374 -11.642 1.00 1.00 C ATOM 153 C LEU A 11 -4.092 0.657 -10.640 1.00 1.00 C ATOM 154 O LEU A 11 -4.535 0.210 -9.581 1.00 1.00 O ATOM 155 CB LEU A 11 -4.715 2.895 -11.620 1.00 1.00 C ATOM 156 CG LEU A 11 -5.377 3.594 -12.845 1.00 1.00 C ATOM 157 CD1 LEU A 11 -5.344 5.121 -12.652 1.00 1.00 C ATOM 158 CD2 LEU A 11 -4.634 3.235 -14.163 1.00 1.00 C ATOM 0 H LEU A 11 -6.641 1.168 -10.351 1.00 1.00 H new ATOM 0 HA LEU A 11 -4.763 0.989 -12.637 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -5.103 3.325 -10.697 1.00 1.00 H new ATOM 0 HB3 LEU A 11 -3.640 3.076 -11.629 1.00 1.00 H new ATOM 0 HG LEU A 11 -6.407 3.246 -12.916 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -5.808 5.606 -13.511 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -5.891 5.385 -11.747 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -4.310 5.454 -12.562 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -5.117 3.737 -15.001 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -3.596 3.560 -14.095 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -4.667 2.156 -14.317 1.00 1.00 H new ATOM 170 N THR A 12 -2.812 0.545 -10.976 1.00 1.00 N ATOM 171 CA THR A 12 -1.831 -0.129 -10.116 1.00 1.00 C ATOM 172 C THR A 12 -0.998 0.899 -9.358 1.00 1.00 C ATOM 173 O THR A 12 -0.430 1.821 -9.944 1.00 1.00 O ATOM 174 CB THR A 12 -0.912 -1.008 -10.976 1.00 1.00 C ATOM 175 OG1 THR A 12 -1.698 -1.971 -11.662 1.00 1.00 O ATOM 176 CG2 THR A 12 0.112 -1.735 -10.091 1.00 1.00 C ATOM 0 H THR A 12 -2.422 0.913 -11.843 1.00 1.00 H new ATOM 0 HA THR A 12 -2.361 -0.752 -9.395 1.00 1.00 H new ATOM 0 HB THR A 12 -0.382 -0.376 -11.689 1.00 1.00 H new ATOM 0 HG1 THR A 12 -1.117 -2.534 -12.214 1.00 1.00 H new ATOM 0 HG21 THR A 12 0.757 -2.354 -10.714 1.00 1.00 H new ATOM 0 HG22 THR A 12 0.718 -1.002 -9.558 1.00 1.00 H new ATOM 0 HG23 THR A 12 -0.411 -2.365 -9.372 1.00 1.00 H new ATOM 184 N LEU A 13 -0.929 0.725 -8.042 1.00 1.00 N ATOM 185 CA LEU A 13 -0.170 1.639 -7.170 1.00 1.00 C ATOM 186 C LEU A 13 0.876 0.858 -6.366 1.00 1.00 C ATOM 187 O LEU A 13 0.715 -0.332 -6.099 1.00 1.00 O ATOM 188 CB LEU A 13 -1.168 2.380 -6.216 1.00 1.00 C ATOM 189 CG LEU A 13 -0.781 3.882 -6.040 1.00 1.00 C ATOM 190 CD1 LEU A 13 -1.313 4.716 -7.219 1.00 1.00 C ATOM 191 CD2 LEU A 13 -1.375 4.437 -4.734 1.00 1.00 C ATOM 0 H LEU A 13 -1.388 -0.040 -7.547 1.00 1.00 H new ATOM 0 HA LEU A 13 0.357 2.375 -7.777 1.00 1.00 H new ATOM 0 HB2 LEU A 13 -2.179 2.308 -6.618 1.00 1.00 H new ATOM 0 HB3 LEU A 13 -1.176 1.889 -5.243 1.00 1.00 H new ATOM 0 HG LEU A 13 0.306 3.948 -6.007 1.00 1.00 H new ATOM 0 HD11 LEU A 13 -1.035 5.761 -7.081 1.00 1.00 H new ATOM 0 HD12 LEU A 13 -0.883 4.346 -8.150 1.00 1.00 H new ATOM 0 HD13 LEU A 13 -2.399 4.633 -7.263 1.00 1.00 H new ATOM 0 HD21 LEU A 13 -1.097 5.485 -4.624 1.00 1.00 H new ATOM 0 HD22 LEU A 13 -2.461 4.351 -4.763 1.00 1.00 H new ATOM 0 HD23 LEU A 13 -0.988 3.869 -3.888 1.00 1.00 H new ATOM 203 N SER A 14 1.951 1.538 -5.977 1.00 1.00 N ATOM 204 CA SER A 14 3.034 0.920 -5.195 1.00 1.00 C ATOM 205 C SER A 14 2.969 1.399 -3.750 1.00 1.00 C ATOM 206 O SER A 14 2.489 2.498 -3.466 1.00 1.00 O ATOM 207 CB SER A 14 4.388 1.299 -5.791 1.00 1.00 C ATOM 208 OG SER A 14 5.424 0.712 -5.015 1.00 1.00 O ATOM 0 H SER A 14 2.102 2.524 -6.189 1.00 1.00 H new ATOM 0 HA SER A 14 2.915 -0.163 -5.225 1.00 1.00 H new ATOM 0 HB2 SER A 14 4.453 0.956 -6.824 1.00 1.00 H new ATOM 0 HB3 SER A 14 4.500 2.383 -5.808 1.00 1.00 H new ATOM 0 HG SER A 14 6.294 0.952 -5.396 1.00 1.00 H new ATOM 214 N LEU A 15 3.451 0.570 -2.830 1.00 1.00 N ATOM 215 CA LEU A 15 3.442 0.903 -1.392 1.00 1.00 C ATOM 216 C LEU A 15 4.864 0.929 -0.825 1.00 1.00 C ATOM 217 O LEU A 15 5.566 -0.081 -0.811 1.00 1.00 O ATOM 218 CB LEU A 15 2.576 -0.126 -0.638 1.00 1.00 C ATOM 219 CG LEU A 15 3.158 -1.584 -0.757 1.00 1.00 C ATOM 220 CD1 LEU A 15 3.756 -2.028 0.590 1.00 1.00 C ATOM 221 CD2 LEU A 15 2.045 -2.578 -1.150 1.00 1.00 C ATOM 0 H LEU A 15 3.856 -0.341 -3.045 1.00 1.00 H new ATOM 0 HA LEU A 15 3.018 1.899 -1.261 1.00 1.00 H new ATOM 0 HB2 LEU A 15 2.512 0.154 0.413 1.00 1.00 H new ATOM 0 HB3 LEU A 15 1.561 -0.107 -1.035 1.00 1.00 H new ATOM 0 HG LEU A 15 3.932 -1.577 -1.524 1.00 1.00 H new ATOM 0 HD11 LEU A 15 4.155 -3.038 0.496 1.00 1.00 H new ATOM 0 HD12 LEU A 15 4.557 -1.346 0.875 1.00 1.00 H new ATOM 0 HD13 LEU A 15 2.979 -2.015 1.355 1.00 1.00 H new ATOM 0 HD21 LEU A 15 2.464 -3.581 -1.228 1.00 1.00 H new ATOM 0 HD22 LEU A 15 1.264 -2.569 -0.390 1.00 1.00 H new ATOM 0 HD23 LEU A 15 1.620 -2.287 -2.110 1.00 1.00 H new ATOM 233 N ILE A 16 5.286 2.096 -0.349 1.00 1.00 N ATOM 234 CA ILE A 16 6.630 2.274 0.227 1.00 1.00 C ATOM 235 C ILE A 16 6.545 2.512 1.733 1.00 1.00 C ATOM 236 O ILE A 16 5.491 2.844 2.278 1.00 1.00 O ATOM 237 CB ILE A 16 7.347 3.449 -0.466 1.00 1.00 C ATOM 238 CG1 ILE A 16 6.575 4.763 -0.246 1.00 1.00 C ATOM 239 CG2 ILE A 16 7.450 3.161 -1.971 1.00 1.00 C ATOM 240 CD1 ILE A 16 7.349 5.934 -0.859 1.00 1.00 C ATOM 0 H ILE A 16 4.718 2.943 -0.348 1.00 1.00 H new ATOM 0 HA ILE A 16 7.205 1.363 0.061 1.00 1.00 H new ATOM 0 HB ILE A 16 8.343 3.556 -0.037 1.00 1.00 H new ATOM 0 HG12 ILE A 16 5.586 4.693 -0.699 1.00 1.00 H new ATOM 0 HG13 ILE A 16 6.426 4.933 0.820 1.00 1.00 H new ATOM 0 HG21 ILE A 16 7.957 3.989 -2.466 1.00 1.00 H new ATOM 0 HG22 ILE A 16 8.017 2.243 -2.128 1.00 1.00 H new ATOM 0 HG23 ILE A 16 6.450 3.046 -2.389 1.00 1.00 H new ATOM 0 HD11 ILE A 16 6.796 6.859 -0.699 1.00 1.00 H new ATOM 0 HD12 ILE A 16 8.328 6.010 -0.386 1.00 1.00 H new ATOM 0 HD13 ILE A 16 7.475 5.767 -1.929 1.00 1.00 H new ATOM 252 N ALA A 17 7.667 2.343 2.421 1.00 1.00 N ATOM 253 CA ALA A 17 7.717 2.531 3.875 1.00 1.00 C ATOM 254 C ALA A 17 7.956 4.002 4.229 1.00 1.00 C ATOM 255 O ALA A 17 9.001 4.569 3.910 1.00 1.00 O ATOM 256 CB ALA A 17 8.844 1.664 4.454 1.00 1.00 C ATOM 0 H ALA A 17 8.557 2.076 2.001 1.00 1.00 H new ATOM 0 HA ALA A 17 6.760 2.232 4.303 1.00 1.00 H new ATOM 0 HB1 ALA A 17 8.888 1.798 5.535 1.00 1.00 H new ATOM 0 HB2 ALA A 17 8.650 0.616 4.226 1.00 1.00 H new ATOM 0 HB3 ALA A 17 9.795 1.962 4.013 1.00 1.00 H new ATOM 262 N LYS A 18 6.986 4.618 4.896 1.00 1.00 N ATOM 263 CA LYS A 18 7.099 6.022 5.294 1.00 1.00 C ATOM 264 C LYS A 18 8.289 6.223 6.233 1.00 1.00 C ATOM 265 O LYS A 18 8.924 7.277 6.232 1.00 1.00 O ATOM 266 CB LYS A 18 5.777 6.486 5.981 1.00 1.00 C ATOM 267 CG LYS A 18 4.768 7.073 4.951 1.00 1.00 C ATOM 268 CD LYS A 18 5.094 8.552 4.665 1.00 1.00 C ATOM 269 CE LYS A 18 4.107 9.112 3.640 1.00 1.00 C ATOM 270 NZ LYS A 18 4.418 10.549 3.388 1.00 1.00 N ATOM 0 H LYS A 18 6.113 4.170 5.174 1.00 1.00 H new ATOM 0 HA LYS A 18 7.266 6.626 4.402 1.00 1.00 H new ATOM 0 HB2 LYS A 18 5.320 5.642 6.498 1.00 1.00 H new ATOM 0 HB3 LYS A 18 6.004 7.238 6.737 1.00 1.00 H new ATOM 0 HG2 LYS A 18 4.808 6.499 4.025 1.00 1.00 H new ATOM 0 HG3 LYS A 18 3.752 6.986 5.337 1.00 1.00 H new ATOM 0 HD2 LYS A 18 5.041 9.130 5.587 1.00 1.00 H new ATOM 0 HD3 LYS A 18 6.113 8.643 4.289 1.00 1.00 H new ATOM 0 HE2 LYS A 18 4.170 8.546 2.711 1.00 1.00 H new ATOM 0 HE3 LYS A 18 3.086 9.008 4.007 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 3.748 10.932 2.691 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 4.336 11.083 4.277 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 5.387 10.635 3.020 1.00 1.00 H new ATOM 284 N ASN A 19 8.586 5.213 7.046 1.00 1.00 N ATOM 285 CA ASN A 19 9.700 5.295 7.997 1.00 1.00 C ATOM 286 C ASN A 19 10.374 3.938 8.137 1.00 1.00 C ATOM 287 O ASN A 19 10.193 3.237 9.133 1.00 1.00 O ATOM 288 CB ASN A 19 9.167 5.760 9.356 1.00 1.00 C ATOM 289 CG ASN A 19 10.319 5.992 10.327 1.00 1.00 C ATOM 290 OD1 ASN A 19 11.308 5.258 10.308 1.00 1.00 O ATOM 291 ND2 ASN A 19 10.251 6.979 11.179 1.00 1.00 N ATOM 0 H ASN A 19 8.076 4.330 7.069 1.00 1.00 H new ATOM 0 HA ASN A 19 10.437 6.010 7.630 1.00 1.00 H new ATOM 0 HB2 ASN A 19 8.595 6.680 9.234 1.00 1.00 H new ATOM 0 HB3 ASN A 19 8.486 5.012 9.762 1.00 1.00 H new ATOM 0 HD21 ASN A 19 11.018 7.144 11.831 1.00 1.00 H new ATOM 0 HD22 ASN A 19 9.431 7.585 11.193 1.00 1.00 H new ATOM 298 N THR A 20 11.168 3.570 7.137 1.00 1.00 N ATOM 299 CA THR A 20 11.864 2.292 7.148 1.00 1.00 C ATOM 300 C THR A 20 12.824 2.180 8.365 1.00 1.00 C ATOM 301 O THR A 20 13.795 2.933 8.427 1.00 1.00 O ATOM 302 CB THR A 20 12.669 2.139 5.842 1.00 1.00 C ATOM 303 OG1 THR A 20 11.870 2.570 4.751 1.00 1.00 O ATOM 304 CG2 THR A 20 13.067 0.670 5.635 1.00 1.00 C ATOM 0 H THR A 20 11.344 4.140 6.310 1.00 1.00 H new ATOM 0 HA THR A 20 11.121 1.498 7.228 1.00 1.00 H new ATOM 0 HB THR A 20 13.573 2.745 5.904 1.00 1.00 H new ATOM 0 HG1 THR A 20 12.377 2.477 3.917 1.00 1.00 H new ATOM 0 HG21 THR A 20 13.635 0.574 4.710 1.00 1.00 H new ATOM 0 HG22 THR A 20 13.680 0.337 6.473 1.00 1.00 H new ATOM 0 HG23 THR A 20 12.169 0.055 5.575 1.00 1.00 H new ATOM 312 N PRO A 21 12.607 1.273 9.278 1.00 1.00 N ATOM 313 CA PRO A 21 13.529 1.123 10.448 1.00 1.00 C ATOM 314 C PRO A 21 14.993 0.991 10.008 1.00 1.00 C ATOM 315 O PRO A 21 15.317 0.293 9.047 1.00 1.00 O ATOM 316 CB PRO A 21 13.041 -0.169 11.152 1.00 1.00 C ATOM 317 CG PRO A 21 11.608 -0.319 10.742 1.00 1.00 C ATOM 318 CD PRO A 21 11.491 0.313 9.346 1.00 1.00 C ATOM 0 HA PRO A 21 13.504 1.995 11.102 1.00 1.00 H new ATOM 0 HB2 PRO A 21 13.631 -1.032 10.845 1.00 1.00 H new ATOM 0 HB3 PRO A 21 13.135 -0.087 12.235 1.00 1.00 H new ATOM 0 HG2 PRO A 21 11.318 -1.369 10.719 1.00 1.00 H new ATOM 0 HG3 PRO A 21 10.946 0.179 11.451 1.00 1.00 H new ATOM 0 HD2 PRO A 21 11.568 -0.440 8.562 1.00 1.00 H new ATOM 0 HD3 PRO A 21 10.531 0.812 9.216 1.00 1.00 H new ATOM 326 N ALA A 22 15.889 1.664 10.724 1.00 1.00 N ATOM 327 CA ALA A 22 17.315 1.631 10.415 1.00 1.00 C ATOM 328 C ALA A 22 17.934 0.277 10.760 1.00 1.00 C ATOM 329 O ALA A 22 17.471 -0.444 11.643 1.00 1.00 O ATOM 330 CB ALA A 22 18.033 2.732 11.196 1.00 1.00 C ATOM 0 H ALA A 22 15.650 2.243 11.529 1.00 1.00 H new ATOM 0 HA ALA A 22 17.431 1.793 9.343 1.00 1.00 H new ATOM 0 HB1 ALA A 22 19.098 2.707 10.965 1.00 1.00 H new ATOM 0 HB2 ALA A 22 17.624 3.703 10.916 1.00 1.00 H new ATOM 0 HB3 ALA A 22 17.890 2.572 12.265 1.00 1.00 H new ATOM 336 N ASN A 23 19.000 -0.077 10.048 1.00 1.00 N ATOM 337 CA ASN A 23 19.709 -1.343 10.262 1.00 1.00 C ATOM 338 C ASN A 23 18.856 -2.532 9.823 1.00 1.00 C ATOM 339 O ASN A 23 19.229 -3.688 10.024 1.00 1.00 O ATOM 340 CB ASN A 23 20.107 -1.504 11.746 1.00 1.00 C ATOM 341 CG ASN A 23 20.623 -0.179 12.295 1.00 1.00 C ATOM 342 OD1 ASN A 23 21.513 0.435 11.707 1.00 1.00 O ATOM 343 ND2 ASN A 23 20.112 0.302 13.397 1.00 1.00 N ATOM 0 H ASN A 23 19.399 0.501 9.308 1.00 1.00 H new ATOM 0 HA ASN A 23 20.613 -1.321 9.654 1.00 1.00 H new ATOM 0 HB2 ASN A 23 19.247 -1.838 12.327 1.00 1.00 H new ATOM 0 HB3 ASN A 23 20.875 -2.271 11.844 1.00 1.00 H new ATOM 0 HD21 ASN A 23 20.451 1.188 13.772 1.00 1.00 H new ATOM 0 HD22 ASN A 23 19.374 -0.209 13.883 1.00 1.00 H new ATOM 350 N SER A 24 17.706 -2.250 9.216 1.00 1.00 N ATOM 351 CA SER A 24 16.791 -3.298 8.745 1.00 1.00 C ATOM 352 C SER A 24 16.938 -3.509 7.248 1.00 1.00 C ATOM 353 O SER A 24 17.196 -2.576 6.487 1.00 1.00 O ATOM 354 CB SER A 24 15.350 -2.901 9.067 1.00 1.00 C ATOM 355 OG SER A 24 14.889 -1.968 8.097 1.00 1.00 O ATOM 0 H SER A 24 17.380 -1.300 9.036 1.00 1.00 H new ATOM 0 HA SER A 24 17.040 -4.230 9.253 1.00 1.00 H new ATOM 0 HB2 SER A 24 14.710 -3.784 9.072 1.00 1.00 H new ATOM 0 HB3 SER A 24 15.296 -2.463 10.064 1.00 1.00 H new ATOM 0 HG SER A 24 15.430 -1.152 8.145 1.00 1.00 H new ATOM 361 N MET A 25 16.776 -4.756 6.817 1.00 1.00 N ATOM 362 CA MET A 25 16.891 -5.107 5.395 1.00 1.00 C ATOM 363 C MET A 25 15.770 -6.063 4.992 1.00 1.00 C ATOM 364 O MET A 25 15.677 -7.188 5.482 1.00 1.00 O ATOM 365 CB MET A 25 18.262 -5.750 5.141 1.00 1.00 C ATOM 366 CG MET A 25 18.386 -6.207 3.665 1.00 1.00 C ATOM 367 SD MET A 25 17.703 -7.879 3.474 1.00 1.00 S ATOM 368 CE MET A 25 19.207 -8.805 3.882 1.00 1.00 C ATOM 0 H MET A 25 16.564 -5.545 7.428 1.00 1.00 H new ATOM 0 HA MET A 25 16.801 -4.204 4.791 1.00 1.00 H new ATOM 0 HB2 MET A 25 19.053 -5.037 5.374 1.00 1.00 H new ATOM 0 HB3 MET A 25 18.397 -6.604 5.804 1.00 1.00 H new ATOM 0 HG2 MET A 25 17.855 -5.512 3.014 1.00 1.00 H new ATOM 0 HG3 MET A 25 19.432 -6.195 3.358 1.00 1.00 H new ATOM 0 HE1 MET A 25 19.003 -9.874 3.823 1.00 1.00 H new ATOM 0 HE2 MET A 25 19.996 -8.547 3.176 1.00 1.00 H new ATOM 0 HE3 MET A 25 19.527 -8.552 4.893 1.00 1.00 H new ATOM 378 N ILE A 26 14.911 -5.607 4.086 1.00 1.00 N ATOM 379 CA ILE A 26 13.785 -6.404 3.614 1.00 1.00 C ATOM 380 C ILE A 26 14.270 -7.582 2.764 1.00 1.00 C ATOM 381 O ILE A 26 15.286 -7.509 2.073 1.00 1.00 O ATOM 382 CB ILE A 26 12.836 -5.519 2.778 1.00 1.00 C ATOM 383 CG1 ILE A 26 12.401 -4.292 3.604 1.00 1.00 C ATOM 384 CG2 ILE A 26 11.588 -6.328 2.382 1.00 1.00 C ATOM 385 CD1 ILE A 26 11.636 -3.304 2.713 1.00 1.00 C ATOM 0 H ILE A 26 14.975 -4.682 3.661 1.00 1.00 H new ATOM 0 HA ILE A 26 13.253 -6.797 4.481 1.00 1.00 H new ATOM 0 HB ILE A 26 13.359 -5.187 1.881 1.00 1.00 H new ATOM 0 HG12 ILE A 26 11.771 -4.608 4.435 1.00 1.00 H new ATOM 0 HG13 ILE A 26 13.276 -3.804 4.034 1.00 1.00 H new ATOM 0 HG21 ILE A 26 10.920 -5.701 1.792 1.00 1.00 H new ATOM 0 HG22 ILE A 26 11.888 -7.194 1.792 1.00 1.00 H new ATOM 0 HG23 ILE A 26 11.071 -6.663 3.281 1.00 1.00 H new ATOM 0 HD11 ILE A 26 11.332 -2.440 3.305 1.00 1.00 H new ATOM 0 HD12 ILE A 26 12.280 -2.977 1.897 1.00 1.00 H new ATOM 0 HD13 ILE A 26 10.752 -3.792 2.304 1.00 1.00 H new ATOM 397 N MET A 27 13.523 -8.679 2.821 1.00 1.00 N ATOM 398 CA MET A 27 13.845 -9.900 2.052 1.00 1.00 C ATOM 399 C MET A 27 12.764 -10.157 1.008 1.00 1.00 C ATOM 400 O MET A 27 13.040 -10.616 -0.100 1.00 1.00 O ATOM 401 CB MET A 27 13.964 -11.103 3.002 1.00 1.00 C ATOM 402 CG MET A 27 15.223 -10.953 3.865 1.00 1.00 C ATOM 403 SD MET A 27 15.381 -12.377 4.969 1.00 1.00 S ATOM 404 CE MET A 27 17.112 -12.105 5.427 1.00 1.00 C ATOM 0 H MET A 27 12.682 -8.759 3.393 1.00 1.00 H new ATOM 0 HA MET A 27 14.799 -9.759 1.543 1.00 1.00 H new ATOM 0 HB2 MET A 27 13.081 -11.167 3.637 1.00 1.00 H new ATOM 0 HB3 MET A 27 14.012 -12.029 2.429 1.00 1.00 H new ATOM 0 HG2 MET A 27 16.104 -10.875 3.228 1.00 1.00 H new ATOM 0 HG3 MET A 27 15.168 -10.034 4.448 1.00 1.00 H new ATOM 0 HE1 MET A 27 17.307 -12.560 6.398 1.00 1.00 H new ATOM 0 HE2 MET A 27 17.762 -12.556 4.677 1.00 1.00 H new ATOM 0 HE3 MET A 27 17.310 -11.035 5.482 1.00 1.00 H new ATOM 414 N THR A 28 11.517 -9.849 1.356 1.00 1.00 N ATOM 415 CA THR A 28 10.394 -10.036 0.438 1.00 1.00 C ATOM 416 C THR A 28 10.349 -8.878 -0.554 1.00 1.00 C ATOM 417 O THR A 28 10.715 -7.749 -0.225 1.00 1.00 O ATOM 418 CB THR A 28 9.081 -10.087 1.230 1.00 1.00 C ATOM 419 OG1 THR A 28 9.189 -11.067 2.254 1.00 1.00 O ATOM 420 CG2 THR A 28 7.919 -10.449 0.297 1.00 1.00 C ATOM 0 H THR A 28 11.258 -9.469 2.266 1.00 1.00 H new ATOM 0 HA THR A 28 10.523 -10.973 -0.104 1.00 1.00 H new ATOM 0 HB THR A 28 8.890 -9.109 1.673 1.00 1.00 H new ATOM 0 HG1 THR A 28 8.353 -11.101 2.763 1.00 1.00 H new ATOM 0 HG21 THR A 28 6.991 -10.483 0.868 1.00 1.00 H new ATOM 0 HG22 THR A 28 7.835 -9.697 -0.488 1.00 1.00 H new ATOM 0 HG23 THR A 28 8.104 -11.424 -0.153 1.00 1.00 H new ATOM 428 N LYS A 29 9.901 -9.128 -1.778 1.00 1.00 N ATOM 429 CA LYS A 29 9.827 -8.079 -2.790 1.00 1.00 C ATOM 430 C LYS A 29 8.597 -7.209 -2.553 1.00 1.00 C ATOM 431 O LYS A 29 7.583 -7.660 -2.022 1.00 1.00 O ATOM 432 CB LYS A 29 9.785 -8.704 -4.190 1.00 1.00 C ATOM 433 CG LYS A 29 10.955 -9.695 -4.369 1.00 1.00 C ATOM 434 CD LYS A 29 12.321 -8.984 -4.219 1.00 1.00 C ATOM 435 CE LYS A 29 13.445 -9.882 -4.753 1.00 1.00 C ATOM 436 NZ LYS A 29 13.496 -11.138 -3.954 1.00 1.00 N ATOM 0 H LYS A 29 9.584 -10.044 -2.094 1.00 1.00 H new ATOM 0 HA LYS A 29 10.714 -7.450 -2.718 1.00 1.00 H new ATOM 0 HB2 LYS A 29 8.836 -9.220 -4.337 1.00 1.00 H new ATOM 0 HB3 LYS A 29 9.843 -7.922 -4.947 1.00 1.00 H new ATOM 0 HG2 LYS A 29 10.875 -10.493 -3.631 1.00 1.00 H new ATOM 0 HG3 LYS A 29 10.892 -10.162 -5.352 1.00 1.00 H new ATOM 0 HD2 LYS A 29 12.310 -8.040 -4.763 1.00 1.00 H new ATOM 0 HD3 LYS A 29 12.502 -8.746 -3.171 1.00 1.00 H new ATOM 0 HE2 LYS A 29 13.272 -10.113 -5.804 1.00 1.00 H new ATOM 0 HE3 LYS A 29 14.401 -9.361 -4.694 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 14.380 -11.645 -4.161 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 13.458 -10.907 -2.941 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 12.685 -11.740 -4.202 1.00 1.00 H new ATOM 450 N LEU A 30 8.699 -5.946 -2.954 1.00 1.00 N ATOM 451 CA LEU A 30 7.599 -4.984 -2.756 1.00 1.00 C ATOM 452 C LEU A 30 6.445 -5.200 -3.778 1.00 1.00 C ATOM 453 O LEU A 30 6.654 -4.952 -4.966 1.00 1.00 O ATOM 454 CB LEU A 30 8.184 -3.537 -2.864 1.00 1.00 C ATOM 455 CG LEU A 30 7.711 -2.636 -1.685 1.00 1.00 C ATOM 456 CD1 LEU A 30 8.427 -3.011 -0.367 1.00 1.00 C ATOM 457 CD2 LEU A 30 8.031 -1.171 -2.013 1.00 1.00 C ATOM 0 H LEU A 30 9.522 -5.558 -3.415 1.00 1.00 H new ATOM 0 HA LEU A 30 7.164 -5.138 -1.768 1.00 1.00 H new ATOM 0 HB2 LEU A 30 9.273 -3.584 -2.872 1.00 1.00 H new ATOM 0 HB3 LEU A 30 7.877 -3.090 -3.810 1.00 1.00 H new ATOM 0 HG LEU A 30 6.639 -2.783 -1.555 1.00 1.00 H new ATOM 0 HD11 LEU A 30 8.074 -2.363 0.436 1.00 1.00 H new ATOM 0 HD12 LEU A 30 8.209 -4.050 -0.118 1.00 1.00 H new ATOM 0 HD13 LEU A 30 9.503 -2.885 -0.489 1.00 1.00 H new ATOM 0 HD21 LEU A 30 7.702 -0.534 -1.192 1.00 1.00 H new ATOM 0 HD22 LEU A 30 9.106 -1.056 -2.154 1.00 1.00 H new ATOM 0 HD23 LEU A 30 7.512 -0.881 -2.927 1.00 1.00 H new ATOM 469 N PRO A 31 5.287 -5.622 -3.352 1.00 1.00 N ATOM 470 CA PRO A 31 4.143 -5.844 -4.291 1.00 1.00 C ATOM 471 C PRO A 31 3.269 -4.597 -4.458 1.00 1.00 C ATOM 472 O PRO A 31 3.144 -3.765 -3.558 1.00 1.00 O ATOM 473 CB PRO A 31 3.376 -6.976 -3.597 1.00 1.00 C ATOM 474 CG PRO A 31 3.479 -6.629 -2.138 1.00 1.00 C ATOM 475 CD PRO A 31 4.856 -5.936 -1.960 1.00 1.00 C ATOM 0 HA PRO A 31 4.463 -6.078 -5.306 1.00 1.00 H new ATOM 0 HB2 PRO A 31 2.338 -7.018 -3.927 1.00 1.00 H new ATOM 0 HB3 PRO A 31 3.818 -7.949 -3.810 1.00 1.00 H new ATOM 0 HG2 PRO A 31 2.667 -5.967 -1.836 1.00 1.00 H new ATOM 0 HG3 PRO A 31 3.409 -7.523 -1.518 1.00 1.00 H new ATOM 0 HD2 PRO A 31 4.773 -5.033 -1.355 1.00 1.00 H new ATOM 0 HD3 PRO A 31 5.570 -6.590 -1.460 1.00 1.00 H new ATOM 483 N SER A 32 2.634 -4.469 -5.618 1.00 1.00 N ATOM 484 CA SER A 32 1.758 -3.327 -5.906 1.00 1.00 C ATOM 485 C SER A 32 0.355 -3.565 -5.351 1.00 1.00 C ATOM 486 O SER A 32 0.024 -4.670 -4.918 1.00 1.00 O ATOM 487 CB SER A 32 1.684 -3.107 -7.424 1.00 1.00 C ATOM 488 OG SER A 32 0.722 -3.989 -7.985 1.00 1.00 O ATOM 0 H SER A 32 2.707 -5.143 -6.381 1.00 1.00 H new ATOM 0 HA SER A 32 2.173 -2.441 -5.425 1.00 1.00 H new ATOM 0 HB2 SER A 32 1.414 -2.073 -7.639 1.00 1.00 H new ATOM 0 HB3 SER A 32 2.660 -3.282 -7.875 1.00 1.00 H new ATOM 0 HG SER A 32 0.888 -4.086 -8.946 1.00 1.00 H new ATOM 494 N VAL A 33 -0.468 -2.522 -5.371 1.00 1.00 N ATOM 495 CA VAL A 33 -1.851 -2.603 -4.869 1.00 1.00 C ATOM 496 C VAL A 33 -2.823 -1.910 -5.828 1.00 1.00 C ATOM 497 O VAL A 33 -2.563 -0.817 -6.330 1.00 1.00 O ATOM 498 CB VAL A 33 -1.939 -1.944 -3.478 1.00 1.00 C ATOM 499 CG1 VAL A 33 -1.601 -0.446 -3.571 1.00 1.00 C ATOM 500 CG2 VAL A 33 -3.357 -2.116 -2.908 1.00 1.00 C ATOM 0 H VAL A 33 -0.208 -1.603 -5.729 1.00 1.00 H new ATOM 0 HA VAL A 33 -2.128 -3.655 -4.796 1.00 1.00 H new ATOM 0 HB VAL A 33 -1.220 -2.428 -2.818 1.00 1.00 H new ATOM 0 HG11 VAL A 33 -1.668 0.004 -2.581 1.00 1.00 H new ATOM 0 HG12 VAL A 33 -0.589 -0.325 -3.957 1.00 1.00 H new ATOM 0 HG13 VAL A 33 -2.306 0.045 -4.241 1.00 1.00 H new ATOM 0 HG21 VAL A 33 -3.413 -1.648 -1.925 1.00 1.00 H new ATOM 0 HG22 VAL A 33 -4.077 -1.644 -3.576 1.00 1.00 H new ATOM 0 HG23 VAL A 33 -3.587 -3.178 -2.818 1.00 1.00 H new ATOM 510 N ARG A 34 -3.958 -2.556 -6.072 1.00 1.00 N ATOM 511 CA ARG A 34 -4.991 -2.000 -6.961 1.00 1.00 C ATOM 512 C ARG A 34 -6.070 -1.328 -6.126 1.00 1.00 C ATOM 513 O ARG A 34 -6.574 -1.900 -5.159 1.00 1.00 O ATOM 514 CB ARG A 34 -5.618 -3.107 -7.808 1.00 1.00 C ATOM 515 CG ARG A 34 -4.556 -3.729 -8.724 1.00 1.00 C ATOM 516 CD ARG A 34 -5.222 -4.736 -9.666 1.00 1.00 C ATOM 517 NE ARG A 34 -5.806 -5.842 -8.893 1.00 1.00 N ATOM 518 CZ ARG A 34 -7.102 -5.872 -8.546 1.00 1.00 C ATOM 519 NH1 ARG A 34 -7.891 -4.873 -8.844 1.00 1.00 N ATOM 520 NH2 ARG A 34 -7.572 -6.894 -7.885 1.00 1.00 N ATOM 0 H ARG A 34 -4.193 -3.464 -5.671 1.00 1.00 H new ATOM 0 HA ARG A 34 -4.528 -1.269 -7.624 1.00 1.00 H new ATOM 0 HB2 ARG A 34 -6.047 -3.873 -7.162 1.00 1.00 H new ATOM 0 HB3 ARG A 34 -6.434 -2.701 -8.406 1.00 1.00 H new ATOM 0 HG2 ARG A 34 -4.057 -2.951 -9.301 1.00 1.00 H new ATOM 0 HG3 ARG A 34 -3.790 -4.224 -8.127 1.00 1.00 H new ATOM 0 HD2 ARG A 34 -5.998 -4.241 -10.250 1.00 1.00 H new ATOM 0 HD3 ARG A 34 -4.489 -5.124 -10.373 1.00 1.00 H new ATOM 0 HE ARG A 34 -5.204 -6.615 -8.610 1.00 1.00 H new ATOM 0 HH11 ARG A 34 -7.523 -4.064 -9.344 1.00 1.00 H new ATOM 0 HH12 ARG A 34 -8.875 -4.903 -8.577 1.00 1.00 H new ATOM 0 HH21 ARG A 34 -6.955 -7.666 -7.634 1.00 1.00 H new ATOM 0 HH22 ARG A 34 -8.556 -6.921 -7.619 1.00 1.00 H new ATOM 534 N VAL A 35 -6.424 -0.102 -6.491 1.00 1.00 N ATOM 535 CA VAL A 35 -7.447 0.663 -5.755 1.00 1.00 C ATOM 536 C VAL A 35 -8.582 1.119 -6.683 1.00 1.00 C ATOM 537 O VAL A 35 -8.363 1.731 -7.728 1.00 1.00 O ATOM 538 CB VAL A 35 -6.792 1.891 -5.073 1.00 1.00 C ATOM 539 CG1 VAL A 35 -7.679 2.380 -3.923 1.00 1.00 C ATOM 540 CG2 VAL A 35 -5.411 1.501 -4.517 1.00 1.00 C ATOM 0 H VAL A 35 -6.024 0.391 -7.289 1.00 1.00 H new ATOM 0 HA VAL A 35 -7.879 0.011 -4.996 1.00 1.00 H new ATOM 0 HB VAL A 35 -6.678 2.687 -5.809 1.00 1.00 H new ATOM 0 HG11 VAL A 35 -7.214 3.243 -3.447 1.00 1.00 H new ATOM 0 HG12 VAL A 35 -8.657 2.663 -4.313 1.00 1.00 H new ATOM 0 HG13 VAL A 35 -7.798 1.582 -3.190 1.00 1.00 H new ATOM 0 HG21 VAL A 35 -4.954 2.367 -4.038 1.00 1.00 H new ATOM 0 HG22 VAL A 35 -5.526 0.701 -3.786 1.00 1.00 H new ATOM 0 HG23 VAL A 35 -4.774 1.159 -5.332 1.00 1.00 H new ATOM 550 N LYS A 36 -9.811 0.825 -6.272 1.00 1.00 N ATOM 551 CA LYS A 36 -10.999 1.207 -7.052 1.00 1.00 C ATOM 552 C LYS A 36 -11.597 2.499 -6.508 1.00 1.00 C ATOM 553 O LYS A 36 -11.443 2.828 -5.331 1.00 1.00 O ATOM 554 CB LYS A 36 -12.045 0.089 -6.992 1.00 1.00 C ATOM 555 CG LYS A 36 -11.507 -1.169 -7.684 1.00 1.00 C ATOM 556 CD LYS A 36 -12.612 -2.236 -7.762 1.00 1.00 C ATOM 557 CE LYS A 36 -13.079 -2.657 -6.349 1.00 1.00 C ATOM 558 NZ LYS A 36 -14.141 -1.719 -5.884 1.00 1.00 N ATOM 0 H LYS A 36 -10.018 0.325 -5.407 1.00 1.00 H new ATOM 0 HA LYS A 36 -10.699 1.365 -8.088 1.00 1.00 H new ATOM 0 HB2 LYS A 36 -12.292 -0.134 -5.954 1.00 1.00 H new ATOM 0 HB3 LYS A 36 -12.966 0.415 -7.476 1.00 1.00 H new ATOM 0 HG2 LYS A 36 -11.157 -0.922 -8.686 1.00 1.00 H new ATOM 0 HG3 LYS A 36 -10.651 -1.559 -7.134 1.00 1.00 H new ATOM 0 HD2 LYS A 36 -13.459 -1.847 -8.327 1.00 1.00 H new ATOM 0 HD3 LYS A 36 -12.242 -3.108 -8.301 1.00 1.00 H new ATOM 0 HE2 LYS A 36 -13.461 -3.678 -6.368 1.00 1.00 H new ATOM 0 HE3 LYS A 36 -12.238 -2.645 -5.656 1.00 1.00 H new ATOM 0 HZ1 LYS A 36 -13.817 -1.224 -5.029 1.00 1.00 H new ATOM 0 HZ2 LYS A 36 -14.342 -1.024 -6.631 1.00 1.00 H new ATOM 0 HZ3 LYS A 36 -15.006 -2.254 -5.667 1.00 1.00 H new ATOM 572 N THR A 37 -12.281 3.242 -7.372 1.00 1.00 N ATOM 573 CA THR A 37 -12.904 4.522 -6.979 1.00 1.00 C ATOM 574 C THR A 37 -14.353 4.603 -7.454 1.00 1.00 C ATOM 575 O THR A 37 -14.663 4.306 -8.609 1.00 1.00 O ATOM 576 CB THR A 37 -12.112 5.689 -7.590 1.00 1.00 C ATOM 577 OG1 THR A 37 -12.407 5.782 -8.974 1.00 1.00 O ATOM 578 CG2 THR A 37 -10.607 5.455 -7.412 1.00 1.00 C ATOM 0 H THR A 37 -12.424 2.989 -8.350 1.00 1.00 H new ATOM 0 HA THR A 37 -12.891 4.583 -5.891 1.00 1.00 H new ATOM 0 HB THR A 37 -12.394 6.613 -7.085 1.00 1.00 H new ATOM 0 HG1 THR A 37 -11.905 6.526 -9.366 1.00 1.00 H new ATOM 0 HG21 THR A 37 -10.055 6.288 -7.848 1.00 1.00 H new ATOM 0 HG22 THR A 37 -10.373 5.382 -6.350 1.00 1.00 H new ATOM 0 HG23 THR A 37 -10.321 4.529 -7.911 1.00 1.00 H new ATOM 586 N GLU A 38 -15.241 5.016 -6.557 1.00 1.00 N ATOM 587 CA GLU A 38 -16.665 5.146 -6.886 1.00 1.00 C ATOM 588 C GLU A 38 -16.904 6.463 -7.621 1.00 1.00 C ATOM 589 O GLU A 38 -17.825 7.215 -7.301 1.00 1.00 O ATOM 590 CB GLU A 38 -17.514 5.105 -5.594 1.00 1.00 C ATOM 591 CG GLU A 38 -18.987 4.786 -5.914 1.00 1.00 C ATOM 592 CD GLU A 38 -19.139 3.339 -6.387 1.00 1.00 C ATOM 593 OE1 GLU A 38 -18.169 2.602 -6.311 1.00 1.00 O ATOM 594 OE2 GLU A 38 -20.227 2.989 -6.817 1.00 1.00 O ATOM 0 H GLU A 38 -15.006 5.267 -5.597 1.00 1.00 H new ATOM 0 HA GLU A 38 -16.959 4.316 -7.528 1.00 1.00 H new ATOM 0 HB2 GLU A 38 -17.114 4.352 -4.915 1.00 1.00 H new ATOM 0 HB3 GLU A 38 -17.449 6.064 -5.081 1.00 1.00 H new ATOM 0 HG2 GLU A 38 -19.600 4.950 -5.028 1.00 1.00 H new ATOM 0 HG3 GLU A 38 -19.352 5.465 -6.684 1.00 1.00 H new ATOM 601 N GLY A 39 -16.067 6.747 -8.613 1.00 1.00 N ATOM 602 CA GLY A 39 -16.190 7.976 -9.386 1.00 1.00 C ATOM 603 C GLY A 39 -15.303 7.922 -10.619 1.00 1.00 C ATOM 604 O GLY A 39 -14.723 6.883 -10.936 1.00 1.00 O ATOM 0 H GLY A 39 -15.297 6.143 -8.900 1.00 1.00 H new ATOM 0 HA2 GLY A 39 -17.228 8.122 -9.684 1.00 1.00 H new ATOM 0 HA3 GLY A 39 -15.912 8.830 -8.768 1.00 1.00 H new ATOM 608 N TYR A 40 -15.195 9.049 -11.316 1.00 1.00 N ATOM 609 CA TYR A 40 -14.377 9.139 -12.535 1.00 1.00 C ATOM 610 C TYR A 40 -13.111 9.947 -12.274 1.00 1.00 C ATOM 611 O TYR A 40 -12.999 10.662 -11.279 1.00 1.00 O ATOM 612 CB TYR A 40 -15.184 9.806 -13.653 1.00 1.00 C ATOM 613 CG TYR A 40 -14.397 9.745 -14.951 1.00 1.00 C ATOM 614 CD1 TYR A 40 -14.484 8.608 -15.766 1.00 1.00 C ATOM 615 CD2 TYR A 40 -13.574 10.815 -15.332 1.00 1.00 C ATOM 616 CE1 TYR A 40 -13.754 8.541 -16.957 1.00 1.00 C ATOM 617 CE2 TYR A 40 -12.845 10.745 -16.526 1.00 1.00 C ATOM 618 CZ TYR A 40 -12.935 9.609 -17.337 1.00 1.00 C ATOM 619 OH TYR A 40 -12.214 9.543 -18.512 1.00 1.00 O ATOM 0 H TYR A 40 -15.663 9.919 -11.062 1.00 1.00 H new ATOM 0 HA TYR A 40 -14.095 8.130 -12.836 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -16.144 9.303 -13.773 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -15.398 10.843 -13.393 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -15.116 7.782 -15.474 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -13.502 11.692 -14.705 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -13.823 7.664 -17.584 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -12.213 11.569 -16.821 1.00 1.00 H new ATOM 0 HH TYR A 40 -11.698 10.368 -18.626 1.00 1.00 H new ATOM 629 N ASN A 41 -12.147 9.834 -13.181 1.00 1.00 N ATOM 630 CA ASN A 41 -10.865 10.557 -13.052 1.00 1.00 C ATOM 631 C ASN A 41 -10.703 11.599 -14.172 1.00 1.00 C ATOM 632 O ASN A 41 -10.175 11.273 -15.235 1.00 1.00 O ATOM 633 CB ASN A 41 -9.714 9.547 -13.124 1.00 1.00 C ATOM 634 CG ASN A 41 -9.845 8.676 -14.366 1.00 1.00 C ATOM 635 OD1 ASN A 41 -9.293 9.004 -15.417 1.00 1.00 O ATOM 636 ND2 ASN A 41 -10.541 7.574 -14.307 1.00 1.00 N ATOM 0 H ASN A 41 -12.218 9.252 -14.016 1.00 1.00 H new ATOM 0 HA ASN A 41 -10.852 11.079 -12.095 1.00 1.00 H new ATOM 0 HB2 ASN A 41 -8.760 10.074 -13.142 1.00 1.00 H new ATOM 0 HB3 ASN A 41 -9.716 8.921 -12.232 1.00 1.00 H new ATOM 0 HD21 ASN A 41 -10.629 6.982 -15.133 1.00 1.00 H new ATOM 0 HD22 ASN A 41 -10.997 7.305 -13.435 1.00 1.00 H new ATOM 643 N PRO A 42 -11.131 12.815 -13.971 1.00 1.00 N ATOM 644 CA PRO A 42 -11.003 13.877 -15.016 1.00 1.00 C ATOM 645 C PRO A 42 -9.575 13.975 -15.564 1.00 1.00 C ATOM 646 O PRO A 42 -9.372 14.137 -16.768 1.00 1.00 O ATOM 647 CB PRO A 42 -11.412 15.172 -14.272 1.00 1.00 C ATOM 648 CG PRO A 42 -12.334 14.705 -13.188 1.00 1.00 C ATOM 649 CD PRO A 42 -11.786 13.339 -12.750 1.00 1.00 C ATOM 0 HA PRO A 42 -11.622 13.675 -15.890 1.00 1.00 H new ATOM 0 HB2 PRO A 42 -10.543 15.685 -13.860 1.00 1.00 H new ATOM 0 HB3 PRO A 42 -11.909 15.874 -14.941 1.00 1.00 H new ATOM 0 HG2 PRO A 42 -12.350 15.408 -12.355 1.00 1.00 H new ATOM 0 HG3 PRO A 42 -13.358 14.620 -13.552 1.00 1.00 H new ATOM 0 HD2 PRO A 42 -11.078 13.437 -11.927 1.00 1.00 H new ATOM 0 HD3 PRO A 42 -12.583 12.679 -12.408 1.00 1.00 H new ATOM 657 N SER A 43 -8.586 13.882 -14.682 1.00 1.00 N ATOM 658 CA SER A 43 -7.187 13.969 -15.095 1.00 1.00 C ATOM 659 C SER A 43 -6.260 13.620 -13.937 1.00 1.00 C ATOM 660 O SER A 43 -5.244 14.282 -13.727 1.00 1.00 O ATOM 661 CB SER A 43 -6.870 15.383 -15.587 1.00 1.00 C ATOM 662 OG SER A 43 -5.554 15.409 -16.121 1.00 1.00 O ATOM 0 H SER A 43 -8.724 13.747 -13.680 1.00 1.00 H new ATOM 0 HA SER A 43 -7.028 13.256 -15.904 1.00 1.00 H new ATOM 0 HB2 SER A 43 -7.590 15.686 -16.348 1.00 1.00 H new ATOM 0 HB3 SER A 43 -6.956 16.094 -14.766 1.00 1.00 H new ATOM 0 HG SER A 43 -4.913 15.153 -15.425 1.00 1.00 H new ATOM 668 N ILE A 44 -6.613 12.583 -13.184 1.00 1.00 N ATOM 669 CA ILE A 44 -5.808 12.164 -12.047 1.00 1.00 C ATOM 670 C ILE A 44 -4.389 11.814 -12.498 1.00 1.00 C ATOM 671 O ILE A 44 -4.194 11.009 -13.409 1.00 1.00 O ATOM 672 CB ILE A 44 -6.475 10.948 -11.361 1.00 1.00 C ATOM 673 CG1 ILE A 44 -5.847 10.727 -9.974 1.00 1.00 C ATOM 674 CG2 ILE A 44 -6.303 9.671 -12.222 1.00 1.00 C ATOM 675 CD1 ILE A 44 -6.580 9.599 -9.241 1.00 1.00 C ATOM 0 H ILE A 44 -7.449 12.020 -13.342 1.00 1.00 H new ATOM 0 HA ILE A 44 -5.744 12.984 -11.332 1.00 1.00 H new ATOM 0 HB ILE A 44 -7.540 11.152 -11.252 1.00 1.00 H new ATOM 0 HG12 ILE A 44 -4.791 10.478 -10.079 1.00 1.00 H new ATOM 0 HG13 ILE A 44 -5.901 11.646 -9.391 1.00 1.00 H new ATOM 0 HG21 ILE A 44 -6.779 8.828 -11.722 1.00 1.00 H new ATOM 0 HG22 ILE A 44 -6.767 9.824 -13.196 1.00 1.00 H new ATOM 0 HG23 ILE A 44 -5.242 9.462 -12.355 1.00 1.00 H new ATOM 0 HD11 ILE A 44 -6.129 9.449 -8.260 1.00 1.00 H new ATOM 0 HD12 ILE A 44 -7.630 9.865 -9.121 1.00 1.00 H new ATOM 0 HD13 ILE A 44 -6.503 8.679 -9.820 1.00 1.00 H new ATOM 687 N ASN A 45 -3.397 12.424 -11.857 1.00 1.00 N ATOM 688 CA ASN A 45 -1.986 12.178 -12.191 1.00 1.00 C ATOM 689 C ASN A 45 -1.354 11.199 -11.204 1.00 1.00 C ATOM 690 O ASN A 45 -0.737 11.606 -10.219 1.00 1.00 O ATOM 691 CB ASN A 45 -1.216 13.504 -12.168 1.00 1.00 C ATOM 692 CG ASN A 45 -1.326 14.161 -10.795 1.00 1.00 C ATOM 693 OD1 ASN A 45 -2.026 13.656 -9.917 1.00 1.00 O ATOM 694 ND2 ASN A 45 -0.668 15.263 -10.556 1.00 1.00 N ATOM 0 H ASN A 45 -3.538 13.094 -11.101 1.00 1.00 H new ATOM 0 HA ASN A 45 -1.937 11.740 -13.188 1.00 1.00 H new ATOM 0 HB2 ASN A 45 -0.168 13.327 -12.410 1.00 1.00 H new ATOM 0 HB3 ASN A 45 -1.611 14.174 -12.931 1.00 1.00 H new ATOM 0 HD21 ASN A 45 -0.733 15.708 -9.640 1.00 1.00 H new ATOM 0 HD22 ASN A 45 -0.089 15.679 -11.285 1.00 1.00 H new ATOM 701 N VAL A 46 -1.495 9.903 -11.466 1.00 1.00 N ATOM 702 CA VAL A 46 -0.929 8.865 -10.599 1.00 1.00 C ATOM 703 C VAL A 46 0.597 8.812 -10.743 1.00 1.00 C ATOM 704 O VAL A 46 1.206 7.749 -10.640 1.00 1.00 O ATOM 705 CB VAL A 46 -1.544 7.488 -10.950 1.00 1.00 C ATOM 706 CG1 VAL A 46 -2.991 7.418 -10.437 1.00 1.00 C ATOM 707 CG2 VAL A 46 -1.527 7.286 -12.475 1.00 1.00 C ATOM 0 H VAL A 46 -1.999 9.541 -12.276 1.00 1.00 H new ATOM 0 HA VAL A 46 -1.169 9.110 -9.564 1.00 1.00 H new ATOM 0 HB VAL A 46 -0.956 6.703 -10.475 1.00 1.00 H new ATOM 0 HG11 VAL A 46 -3.419 6.447 -10.687 1.00 1.00 H new ATOM 0 HG12 VAL A 46 -3.000 7.551 -9.355 1.00 1.00 H new ATOM 0 HG13 VAL A 46 -3.581 8.206 -10.905 1.00 1.00 H new ATOM 0 HG21 VAL A 46 -1.960 6.316 -12.718 1.00 1.00 H new ATOM 0 HG22 VAL A 46 -2.109 8.074 -12.953 1.00 1.00 H new ATOM 0 HG23 VAL A 46 -0.499 7.325 -12.836 1.00 1.00 H new ATOM 717 N ASN A 47 1.207 9.970 -10.974 1.00 1.00 N ATOM 718 CA ASN A 47 2.664 10.074 -11.123 1.00 1.00 C ATOM 719 C ASN A 47 3.292 10.589 -9.834 1.00 1.00 C ATOM 720 O ASN A 47 4.514 10.582 -9.679 1.00 1.00 O ATOM 721 CB ASN A 47 2.990 11.028 -12.274 1.00 1.00 C ATOM 722 CG ASN A 47 2.454 10.458 -13.583 1.00 1.00 C ATOM 723 OD1 ASN A 47 2.949 9.440 -14.066 1.00 1.00 O ATOM 724 ND2 ASN A 47 1.463 11.054 -14.187 1.00 1.00 N ATOM 0 H ASN A 47 0.715 10.859 -11.064 1.00 1.00 H new ATOM 0 HA ASN A 47 3.071 9.086 -11.340 1.00 1.00 H new ATOM 0 HB2 ASN A 47 2.548 12.006 -12.084 1.00 1.00 H new ATOM 0 HB3 ASN A 47 4.068 11.173 -12.344 1.00 1.00 H new ATOM 0 HD21 ASN A 47 1.097 10.676 -15.061 1.00 1.00 H new ATOM 0 HD22 ASN A 47 1.054 11.898 -13.785 1.00 1.00 H new ATOM 731 N GLU A 48 2.445 11.043 -8.916 1.00 1.00 N ATOM 732 CA GLU A 48 2.898 11.587 -7.625 1.00 1.00 C ATOM 733 C GLU A 48 2.106 10.968 -6.478 1.00 1.00 C ATOM 734 O GLU A 48 2.314 11.308 -5.313 1.00 1.00 O ATOM 735 CB GLU A 48 2.713 13.108 -7.626 1.00 1.00 C ATOM 736 CG GLU A 48 3.660 13.737 -8.656 1.00 1.00 C ATOM 737 CD GLU A 48 3.424 15.243 -8.752 1.00 1.00 C ATOM 738 OE1 GLU A 48 2.565 15.742 -8.041 1.00 1.00 O ATOM 739 OE2 GLU A 48 4.108 15.877 -9.539 1.00 1.00 O ATOM 0 H GLU A 48 1.432 11.048 -9.037 1.00 1.00 H new ATOM 0 HA GLU A 48 3.952 11.345 -7.486 1.00 1.00 H new ATOM 0 HB2 GLU A 48 1.680 13.359 -7.865 1.00 1.00 H new ATOM 0 HB3 GLU A 48 2.918 13.511 -6.634 1.00 1.00 H new ATOM 0 HG2 GLU A 48 4.695 13.543 -8.373 1.00 1.00 H new ATOM 0 HG3 GLU A 48 3.504 13.276 -9.631 1.00 1.00 H new ATOM 746 N LEU A 49 1.204 10.051 -6.810 1.00 1.00 N ATOM 747 CA LEU A 49 0.380 9.367 -5.806 1.00 1.00 C ATOM 748 C LEU A 49 1.026 8.035 -5.447 1.00 1.00 C ATOM 749 O LEU A 49 1.780 7.464 -6.233 1.00 1.00 O ATOM 750 CB LEU A 49 -1.039 9.140 -6.349 1.00 1.00 C ATOM 751 CG LEU A 49 -1.637 10.463 -6.871 1.00 1.00 C ATOM 752 CD1 LEU A 49 -3.072 10.210 -7.344 1.00 1.00 C ATOM 753 CD2 LEU A 49 -1.637 11.547 -5.766 1.00 1.00 C ATOM 0 H LEU A 49 1.020 9.759 -7.770 1.00 1.00 H new ATOM 0 HA LEU A 49 0.311 9.987 -4.912 1.00 1.00 H new ATOM 0 HB2 LEU A 49 -1.014 8.404 -7.152 1.00 1.00 H new ATOM 0 HB3 LEU A 49 -1.674 8.732 -5.563 1.00 1.00 H new ATOM 0 HG LEU A 49 -1.026 10.822 -7.699 1.00 1.00 H new ATOM 0 HD11 LEU A 49 -3.502 11.140 -7.715 1.00 1.00 H new ATOM 0 HD12 LEU A 49 -3.066 9.469 -8.143 1.00 1.00 H new ATOM 0 HD13 LEU A 49 -3.670 9.840 -6.511 1.00 1.00 H new ATOM 0 HD21 LEU A 49 -2.064 12.469 -6.161 1.00 1.00 H new ATOM 0 HD22 LEU A 49 -2.233 11.204 -4.920 1.00 1.00 H new ATOM 0 HD23 LEU A 49 -0.614 11.732 -5.438 1.00 1.00 H new ATOM 765 N PHE A 50 0.738 7.541 -4.246 1.00 1.00 N ATOM 766 CA PHE A 50 1.320 6.270 -3.784 1.00 1.00 C ATOM 767 C PHE A 50 0.594 5.731 -2.553 1.00 1.00 C ATOM 768 O PHE A 50 -0.273 6.386 -1.972 1.00 1.00 O ATOM 769 CB PHE A 50 2.819 6.448 -3.428 1.00 1.00 C ATOM 770 CG PHE A 50 3.633 6.700 -4.685 1.00 1.00 C ATOM 771 CD1 PHE A 50 3.839 5.653 -5.592 1.00 1.00 C ATOM 772 CD2 PHE A 50 4.157 7.976 -4.964 1.00 1.00 C ATOM 773 CE1 PHE A 50 4.566 5.874 -6.769 1.00 1.00 C ATOM 774 CE2 PHE A 50 4.880 8.193 -6.142 1.00 1.00 C ATOM 775 CZ PHE A 50 5.086 7.143 -7.044 1.00 1.00 C ATOM 0 H PHE A 50 0.113 7.990 -3.577 1.00 1.00 H new ATOM 0 HA PHE A 50 1.211 5.560 -4.604 1.00 1.00 H new ATOM 0 HB2 PHE A 50 2.939 7.281 -2.736 1.00 1.00 H new ATOM 0 HB3 PHE A 50 3.188 5.557 -2.920 1.00 1.00 H new ATOM 0 HD1 PHE A 50 3.436 4.673 -5.384 1.00 1.00 H new ATOM 0 HD2 PHE A 50 4.001 8.788 -4.269 1.00 1.00 H new ATOM 0 HE1 PHE A 50 4.725 5.064 -7.465 1.00 1.00 H new ATOM 0 HE2 PHE A 50 5.280 9.173 -6.356 1.00 1.00 H new ATOM 0 HZ PHE A 50 5.646 7.312 -7.952 1.00 1.00 H new ATOM 785 N ALA A 51 0.986 4.527 -2.151 1.00 1.00 N ATOM 786 CA ALA A 51 0.423 3.856 -0.972 1.00 1.00 C ATOM 787 C ALA A 51 1.502 3.783 0.102 1.00 1.00 C ATOM 788 O ALA A 51 2.667 4.087 -0.159 1.00 1.00 O ATOM 789 CB ALA A 51 -0.056 2.445 -1.350 1.00 1.00 C ATOM 0 H ALA A 51 1.704 3.983 -2.630 1.00 1.00 H new ATOM 0 HA ALA A 51 -0.433 4.415 -0.594 1.00 1.00 H new ATOM 0 HB1 ALA A 51 -0.472 1.954 -0.470 1.00 1.00 H new ATOM 0 HB2 ALA A 51 -0.822 2.515 -2.122 1.00 1.00 H new ATOM 0 HB3 ALA A 51 0.786 1.863 -1.726 1.00 1.00 H new ATOM 795 N TYR A 52 1.130 3.395 1.317 1.00 1.00 N ATOM 796 CA TYR A 52 2.113 3.328 2.410 1.00 1.00 C ATOM 797 C TYR A 52 1.748 2.269 3.448 1.00 1.00 C ATOM 798 O TYR A 52 0.656 1.701 3.449 1.00 1.00 O ATOM 799 CB TYR A 52 2.216 4.703 3.098 1.00 1.00 C ATOM 800 CG TYR A 52 2.323 5.792 2.047 1.00 1.00 C ATOM 801 CD1 TYR A 52 3.570 6.120 1.505 1.00 1.00 C ATOM 802 CD2 TYR A 52 1.174 6.465 1.605 1.00 1.00 C ATOM 803 CE1 TYR A 52 3.672 7.118 0.529 1.00 1.00 C ATOM 804 CE2 TYR A 52 1.280 7.462 0.629 1.00 1.00 C ATOM 805 CZ TYR A 52 2.528 7.789 0.092 1.00 1.00 C ATOM 806 OH TYR A 52 2.630 8.774 -0.868 1.00 1.00 O ATOM 0 H TYR A 52 0.180 3.126 1.574 1.00 1.00 H new ATOM 0 HA TYR A 52 3.072 3.049 1.973 1.00 1.00 H new ATOM 0 HB2 TYR A 52 1.341 4.874 3.725 1.00 1.00 H new ATOM 0 HB3 TYR A 52 3.087 4.729 3.753 1.00 1.00 H new ATOM 0 HD1 TYR A 52 4.456 5.602 1.840 1.00 1.00 H new ATOM 0 HD2 TYR A 52 0.208 6.214 2.018 1.00 1.00 H new ATOM 0 HE1 TYR A 52 4.637 7.369 0.113 1.00 1.00 H new ATOM 0 HE2 TYR A 52 0.395 7.980 0.290 1.00 1.00 H new ATOM 0 HH TYR A 52 1.740 9.138 -1.059 1.00 1.00 H new ATOM 816 N VAL A 53 2.701 2.011 4.338 1.00 1.00 N ATOM 817 CA VAL A 53 2.522 1.022 5.410 1.00 1.00 C ATOM 818 C VAL A 53 3.056 1.590 6.721 1.00 1.00 C ATOM 819 O VAL A 53 4.049 2.318 6.743 1.00 1.00 O ATOM 820 CB VAL A 53 3.266 -0.283 5.055 1.00 1.00 C ATOM 821 CG1 VAL A 53 2.480 -1.062 3.999 1.00 1.00 C ATOM 822 CG2 VAL A 53 4.655 0.052 4.502 1.00 1.00 C ATOM 0 H VAL A 53 3.611 2.472 4.343 1.00 1.00 H new ATOM 0 HA VAL A 53 1.461 0.800 5.521 1.00 1.00 H new ATOM 0 HB VAL A 53 3.364 -0.891 5.955 1.00 1.00 H new ATOM 0 HG11 VAL A 53 3.012 -1.981 3.754 1.00 1.00 H new ATOM 0 HG12 VAL A 53 1.492 -1.307 4.388 1.00 1.00 H new ATOM 0 HG13 VAL A 53 2.375 -0.453 3.101 1.00 1.00 H new ATOM 0 HG21 VAL A 53 5.179 -0.870 4.252 1.00 1.00 H new ATOM 0 HG22 VAL A 53 4.552 0.665 3.607 1.00 1.00 H new ATOM 0 HG23 VAL A 53 5.223 0.600 5.254 1.00 1.00 H new ATOM 832 N ASP A 54 2.395 1.248 7.822 1.00 1.00 N ATOM 833 CA ASP A 54 2.811 1.732 9.139 1.00 1.00 C ATOM 834 C ASP A 54 3.889 0.823 9.723 1.00 1.00 C ATOM 835 O ASP A 54 3.610 -0.073 10.520 1.00 1.00 O ATOM 836 CB ASP A 54 1.598 1.782 10.082 1.00 1.00 C ATOM 837 CG ASP A 54 0.614 2.861 9.629 1.00 1.00 C ATOM 838 OD1 ASP A 54 1.002 3.698 8.827 1.00 1.00 O ATOM 839 OD2 ASP A 54 -0.514 2.837 10.091 1.00 1.00 O ATOM 0 H ASP A 54 1.575 0.642 7.832 1.00 1.00 H new ATOM 0 HA ASP A 54 3.223 2.735 9.031 1.00 1.00 H new ATOM 0 HB2 ASP A 54 1.102 0.812 10.098 1.00 1.00 H new ATOM 0 HB3 ASP A 54 1.929 1.987 11.100 1.00 1.00 H new ATOM 844 N LEU A 55 5.130 1.072 9.320 1.00 1.00 N ATOM 845 CA LEU A 55 6.274 0.283 9.809 1.00 1.00 C ATOM 846 C LEU A 55 6.909 0.983 11.011 1.00 1.00 C ATOM 847 O LEU A 55 7.521 0.329 11.856 1.00 1.00 O ATOM 848 CB LEU A 55 7.329 0.084 8.665 1.00 1.00 C ATOM 849 CG LEU A 55 7.414 -1.395 8.206 1.00 1.00 C ATOM 850 CD1 LEU A 55 6.168 -1.771 7.414 1.00 1.00 C ATOM 851 CD2 LEU A 55 8.648 -1.602 7.314 1.00 1.00 C ATOM 0 H LEU A 55 5.377 1.809 8.659 1.00 1.00 H new ATOM 0 HA LEU A 55 5.921 -0.700 10.121 1.00 1.00 H new ATOM 0 HB2 LEU A 55 7.065 0.713 7.815 1.00 1.00 H new ATOM 0 HB3 LEU A 55 8.308 0.413 9.013 1.00 1.00 H new ATOM 0 HG LEU A 55 7.491 -2.025 9.092 1.00 1.00 H new ATOM 0 HD11 LEU A 55 6.239 -2.811 7.097 1.00 1.00 H new ATOM 0 HD12 LEU A 55 5.286 -1.642 8.041 1.00 1.00 H new ATOM 0 HD13 LEU A 55 6.087 -1.129 6.537 1.00 1.00 H new ATOM 0 HD21 LEU A 55 8.698 -2.644 6.998 1.00 1.00 H new ATOM 0 HD22 LEU A 55 8.575 -0.959 6.437 1.00 1.00 H new ATOM 0 HD23 LEU A 55 9.548 -1.350 7.874 1.00 1.00 H new ATOM 863 N SER A 56 6.766 2.302 11.076 1.00 1.00 N ATOM 864 CA SER A 56 7.330 3.121 12.167 1.00 1.00 C ATOM 865 C SER A 56 8.611 2.510 12.753 1.00 1.00 C ATOM 866 O SER A 56 9.722 2.777 12.295 1.00 1.00 O ATOM 867 CB SER A 56 6.286 3.303 13.272 1.00 1.00 C ATOM 868 OG SER A 56 6.847 4.078 14.323 1.00 1.00 O ATOM 0 H SER A 56 6.257 2.844 10.378 1.00 1.00 H new ATOM 0 HA SER A 56 7.597 4.089 11.744 1.00 1.00 H new ATOM 0 HB2 SER A 56 5.400 3.797 12.873 1.00 1.00 H new ATOM 0 HB3 SER A 56 5.967 2.332 13.651 1.00 1.00 H new ATOM 0 HG SER A 56 6.181 4.198 15.032 1.00 1.00 H new ATOM 874 N GLY A 57 8.447 1.674 13.773 1.00 1.00 N ATOM 875 CA GLY A 57 9.581 1.004 14.430 1.00 1.00 C ATOM 876 C GLY A 57 9.346 -0.499 14.529 1.00 1.00 C ATOM 877 O GLY A 57 9.116 -1.020 15.620 1.00 1.00 O ATOM 0 H GLY A 57 7.537 1.439 14.170 1.00 1.00 H new ATOM 0 HA2 GLY A 57 10.496 1.196 13.869 1.00 1.00 H new ATOM 0 HA3 GLY A 57 9.725 1.419 15.427 1.00 1.00 H new ATOM 881 N SER A 58 9.415 -1.193 13.398 1.00 1.00 N ATOM 882 CA SER A 58 9.209 -2.645 13.349 1.00 1.00 C ATOM 883 C SER A 58 10.486 -3.399 13.704 1.00 1.00 C ATOM 884 O SER A 58 11.587 -2.848 13.695 1.00 1.00 O ATOM 885 CB SER A 58 8.740 -3.065 11.951 1.00 1.00 C ATOM 886 OG SER A 58 8.738 -4.485 11.865 1.00 1.00 O ATOM 0 H SER A 58 9.614 -0.772 12.491 1.00 1.00 H new ATOM 0 HA SER A 58 8.444 -2.897 14.084 1.00 1.00 H new ATOM 0 HB2 SER A 58 7.740 -2.676 11.758 1.00 1.00 H new ATOM 0 HB3 SER A 58 9.399 -2.644 11.192 1.00 1.00 H new ATOM 0 HG SER A 58 7.837 -4.823 12.053 1.00 1.00 H new ATOM 892 N GLU A 59 10.327 -4.680 14.022 1.00 1.00 N ATOM 893 CA GLU A 59 11.476 -5.535 14.396 1.00 1.00 C ATOM 894 C GLU A 59 11.462 -6.870 13.610 1.00 1.00 C ATOM 895 O GLU A 59 10.390 -7.383 13.288 1.00 1.00 O ATOM 896 CB GLU A 59 11.424 -5.826 15.910 1.00 1.00 C ATOM 897 CG GLU A 59 11.719 -4.545 16.725 1.00 1.00 C ATOM 898 CD GLU A 59 10.555 -3.562 16.631 1.00 1.00 C ATOM 899 OE1 GLU A 59 9.443 -4.005 16.398 1.00 1.00 O ATOM 900 OE2 GLU A 59 10.794 -2.376 16.794 1.00 1.00 O ATOM 0 H GLU A 59 9.425 -5.157 14.032 1.00 1.00 H new ATOM 0 HA GLU A 59 12.395 -5.004 14.147 1.00 1.00 H new ATOM 0 HB2 GLU A 59 10.441 -6.214 16.177 1.00 1.00 H new ATOM 0 HB3 GLU A 59 12.151 -6.598 16.162 1.00 1.00 H new ATOM 0 HG2 GLU A 59 11.897 -4.805 17.768 1.00 1.00 H new ATOM 0 HG3 GLU A 59 12.629 -4.074 16.354 1.00 1.00 H new ATOM 907 N PRO A 60 12.598 -7.444 13.318 1.00 1.00 N ATOM 908 CA PRO A 60 12.665 -8.748 12.573 1.00 1.00 C ATOM 909 C PRO A 60 11.587 -9.750 13.002 1.00 1.00 C ATOM 910 O PRO A 60 11.224 -9.837 14.176 1.00 1.00 O ATOM 911 CB PRO A 60 14.068 -9.286 12.925 1.00 1.00 C ATOM 912 CG PRO A 60 14.914 -8.063 13.136 1.00 1.00 C ATOM 913 CD PRO A 60 13.963 -6.948 13.634 1.00 1.00 C ATOM 0 HA PRO A 60 12.493 -8.605 11.506 1.00 1.00 H new ATOM 0 HB2 PRO A 60 14.039 -9.905 13.822 1.00 1.00 H new ATOM 0 HB3 PRO A 60 14.465 -9.907 12.122 1.00 1.00 H new ATOM 0 HG2 PRO A 60 15.700 -8.257 13.866 1.00 1.00 H new ATOM 0 HG3 PRO A 60 15.406 -7.767 12.209 1.00 1.00 H new ATOM 0 HD2 PRO A 60 14.083 -6.774 14.703 1.00 1.00 H new ATOM 0 HD3 PRO A 60 14.166 -6.002 13.132 1.00 1.00 H new ATOM 921 N GLY A 61 11.081 -10.518 12.043 1.00 1.00 N ATOM 922 CA GLY A 61 10.046 -11.526 12.304 1.00 1.00 C ATOM 923 C GLY A 61 9.046 -11.576 11.153 1.00 1.00 C ATOM 924 O GLY A 61 9.416 -11.523 9.979 1.00 1.00 O ATOM 0 H GLY A 61 11.371 -10.464 11.067 1.00 1.00 H new ATOM 0 HA2 GLY A 61 10.508 -12.505 12.435 1.00 1.00 H new ATOM 0 HA3 GLY A 61 9.528 -11.291 13.234 1.00 1.00 H new ATOM 928 N GLU A 62 7.764 -11.675 11.488 1.00 1.00 N ATOM 929 CA GLU A 62 6.695 -11.727 10.479 1.00 1.00 C ATOM 930 C GLU A 62 5.504 -10.897 10.953 1.00 1.00 C ATOM 931 O GLU A 62 4.442 -11.429 11.279 1.00 1.00 O ATOM 932 CB GLU A 62 6.268 -13.187 10.250 1.00 1.00 C ATOM 933 CG GLU A 62 5.313 -13.279 9.051 1.00 1.00 C ATOM 934 CD GLU A 62 4.937 -14.737 8.783 1.00 1.00 C ATOM 935 OE1 GLU A 62 5.213 -15.571 9.629 1.00 1.00 O ATOM 936 OE2 GLU A 62 4.372 -14.994 7.731 1.00 1.00 O ATOM 0 H GLU A 62 7.432 -11.721 12.451 1.00 1.00 H new ATOM 0 HA GLU A 62 7.062 -11.316 9.538 1.00 1.00 H new ATOM 0 HB2 GLU A 62 7.147 -13.807 10.072 1.00 1.00 H new ATOM 0 HB3 GLU A 62 5.779 -13.575 11.144 1.00 1.00 H new ATOM 0 HG2 GLU A 62 4.414 -12.695 9.248 1.00 1.00 H new ATOM 0 HG3 GLU A 62 5.785 -12.850 8.167 1.00 1.00 H new ATOM 943 N HIS A 63 5.681 -9.581 10.975 1.00 1.00 N ATOM 944 CA HIS A 63 4.626 -8.669 11.430 1.00 1.00 C ATOM 945 C HIS A 63 3.768 -8.167 10.280 1.00 1.00 C ATOM 946 O HIS A 63 4.279 -7.685 9.270 1.00 1.00 O ATOM 947 CB HIS A 63 5.269 -7.449 12.110 1.00 1.00 C ATOM 948 CG HIS A 63 6.019 -7.865 13.345 1.00 1.00 C ATOM 949 ND1 HIS A 63 7.324 -8.330 13.295 1.00 1.00 N ATOM 950 CD2 HIS A 63 5.674 -7.856 14.672 1.00 1.00 C ATOM 951 CE1 HIS A 63 7.714 -8.576 14.559 1.00 1.00 C ATOM 952 NE2 HIS A 63 6.745 -8.303 15.438 1.00 1.00 N ATOM 0 H HIS A 63 6.542 -9.118 10.685 1.00 1.00 H new ATOM 0 HA HIS A 63 3.992 -9.224 12.121 1.00 1.00 H new ATOM 0 HB2 HIS A 63 5.948 -6.955 11.415 1.00 1.00 H new ATOM 0 HB3 HIS A 63 4.498 -6.724 12.373 1.00 1.00 H new ATOM 0 HD2 HIS A 63 4.715 -7.548 15.063 1.00 1.00 H new ATOM 0 HE1 HIS A 63 8.691 -8.949 14.830 1.00 1.00 H new ATOM 0 HE2 HIS A 63 6.783 -8.401 16.453 1.00 1.00 H new ATOM 961 N ASP A 64 2.453 -8.257 10.452 1.00 1.00 N ATOM 962 CA ASP A 64 1.509 -7.787 9.452 1.00 1.00 C ATOM 963 C ASP A 64 1.321 -6.280 9.611 1.00 1.00 C ATOM 964 O ASP A 64 1.298 -5.763 10.729 1.00 1.00 O ATOM 965 CB ASP A 64 0.172 -8.505 9.634 1.00 1.00 C ATOM 966 CG ASP A 64 0.388 -10.015 9.596 1.00 1.00 C ATOM 967 OD1 ASP A 64 1.353 -10.441 8.982 1.00 1.00 O ATOM 968 OD2 ASP A 64 -0.414 -10.724 10.180 1.00 1.00 O ATOM 0 H ASP A 64 2.017 -8.655 11.284 1.00 1.00 H new ATOM 0 HA ASP A 64 1.891 -7.999 8.453 1.00 1.00 H new ATOM 0 HB2 ASP A 64 -0.280 -8.217 10.583 1.00 1.00 H new ATOM 0 HB3 ASP A 64 -0.521 -8.207 8.847 1.00 1.00 H new ATOM 973 N TYR A 65 1.194 -5.560 8.500 1.00 1.00 N ATOM 974 CA TYR A 65 1.019 -4.094 8.544 1.00 1.00 C ATOM 975 C TYR A 65 -0.113 -3.633 7.627 1.00 1.00 C ATOM 976 O TYR A 65 -0.246 -4.079 6.488 1.00 1.00 O ATOM 977 CB TYR A 65 2.328 -3.404 8.142 1.00 1.00 C ATOM 978 CG TYR A 65 3.405 -3.743 9.162 1.00 1.00 C ATOM 979 CD1 TYR A 65 3.314 -3.213 10.456 1.00 1.00 C ATOM 980 CD2 TYR A 65 4.480 -4.583 8.826 1.00 1.00 C ATOM 981 CE1 TYR A 65 4.290 -3.519 11.410 1.00 1.00 C ATOM 982 CE2 TYR A 65 5.455 -4.886 9.783 1.00 1.00 C ATOM 983 CZ TYR A 65 5.360 -4.354 11.075 1.00 1.00 C ATOM 984 OH TYR A 65 6.319 -4.656 12.020 1.00 1.00 O ATOM 0 H TYR A 65 1.208 -5.955 7.560 1.00 1.00 H new ATOM 0 HA TYR A 65 0.754 -3.818 9.565 1.00 1.00 H new ATOM 0 HB2 TYR A 65 2.635 -3.731 7.149 1.00 1.00 H new ATOM 0 HB3 TYR A 65 2.184 -2.325 8.092 1.00 1.00 H new ATOM 0 HD1 TYR A 65 2.489 -2.567 10.717 1.00 1.00 H new ATOM 0 HD2 TYR A 65 4.554 -4.994 7.830 1.00 1.00 H new ATOM 0 HE1 TYR A 65 4.217 -3.110 12.407 1.00 1.00 H new ATOM 0 HE2 TYR A 65 6.282 -5.531 9.525 1.00 1.00 H new ATOM 0 HH TYR A 65 5.914 -4.645 12.912 1.00 1.00 H new ATOM 994 N GLU A 66 -0.925 -2.718 8.150 1.00 1.00 N ATOM 995 CA GLU A 66 -2.055 -2.171 7.410 1.00 1.00 C ATOM 996 C GLU A 66 -1.594 -1.209 6.314 1.00 1.00 C ATOM 997 O GLU A 66 -0.733 -0.358 6.535 1.00 1.00 O ATOM 998 CB GLU A 66 -2.994 -1.444 8.385 1.00 1.00 C ATOM 999 CG GLU A 66 -2.241 -0.310 9.099 1.00 1.00 C ATOM 1000 CD GLU A 66 -3.109 0.288 10.204 1.00 1.00 C ATOM 1001 OE1 GLU A 66 -4.306 0.399 9.995 1.00 1.00 O ATOM 1002 OE2 GLU A 66 -2.563 0.628 11.240 1.00 1.00 O ATOM 0 H GLU A 66 -0.819 -2.338 9.091 1.00 1.00 H new ATOM 0 HA GLU A 66 -2.582 -2.994 6.928 1.00 1.00 H new ATOM 0 HB2 GLU A 66 -3.849 -1.039 7.844 1.00 1.00 H new ATOM 0 HB3 GLU A 66 -3.386 -2.149 9.118 1.00 1.00 H new ATOM 0 HG2 GLU A 66 -1.312 -0.691 9.523 1.00 1.00 H new ATOM 0 HG3 GLU A 66 -1.970 0.464 8.381 1.00 1.00 H new ATOM 1009 N VAL A 67 -2.189 -1.345 5.134 1.00 1.00 N ATOM 1010 CA VAL A 67 -1.853 -0.482 3.991 1.00 1.00 C ATOM 1011 C VAL A 67 -2.808 0.708 3.931 1.00 1.00 C ATOM 1012 O VAL A 67 -4.028 0.545 3.967 1.00 1.00 O ATOM 1013 CB VAL A 67 -1.952 -1.282 2.678 1.00 1.00 C ATOM 1014 CG1 VAL A 67 -1.419 -0.442 1.511 1.00 1.00 C ATOM 1015 CG2 VAL A 67 -1.127 -2.567 2.789 1.00 1.00 C ATOM 0 H VAL A 67 -2.907 -2.042 4.937 1.00 1.00 H new ATOM 0 HA VAL A 67 -0.833 -0.119 4.118 1.00 1.00 H new ATOM 0 HB VAL A 67 -2.997 -1.532 2.498 1.00 1.00 H new ATOM 0 HG11 VAL A 67 -1.493 -1.015 0.587 1.00 1.00 H new ATOM 0 HG12 VAL A 67 -2.009 0.470 1.420 1.00 1.00 H new ATOM 0 HG13 VAL A 67 -0.376 -0.183 1.695 1.00 1.00 H new ATOM 0 HG21 VAL A 67 -1.201 -3.128 1.858 1.00 1.00 H new ATOM 0 HG22 VAL A 67 -0.084 -2.314 2.979 1.00 1.00 H new ATOM 0 HG23 VAL A 67 -1.508 -3.174 3.610 1.00 1.00 H new ATOM 1025 N LYS A 68 -2.259 1.915 3.835 1.00 1.00 N ATOM 1026 CA LYS A 68 -3.064 3.148 3.765 1.00 1.00 C ATOM 1027 C LYS A 68 -2.764 3.911 2.475 1.00 1.00 C ATOM 1028 O LYS A 68 -1.661 3.860 1.933 1.00 1.00 O ATOM 1029 CB LYS A 68 -2.775 4.033 4.980 1.00 1.00 C ATOM 1030 CG LYS A 68 -1.284 4.383 5.036 1.00 1.00 C ATOM 1031 CD LYS A 68 -0.996 5.173 6.318 1.00 1.00 C ATOM 1032 CE LYS A 68 0.497 5.510 6.405 1.00 1.00 C ATOM 1033 NZ LYS A 68 0.815 6.588 5.425 1.00 1.00 N ATOM 0 H LYS A 68 -1.252 2.075 3.803 1.00 1.00 H new ATOM 0 HA LYS A 68 -4.119 2.875 3.768 1.00 1.00 H new ATOM 0 HB2 LYS A 68 -3.369 4.946 4.924 1.00 1.00 H new ATOM 0 HB3 LYS A 68 -3.070 3.517 5.894 1.00 1.00 H new ATOM 0 HG2 LYS A 68 -0.684 3.473 5.014 1.00 1.00 H new ATOM 0 HG3 LYS A 68 -1.004 4.971 4.162 1.00 1.00 H new ATOM 0 HD2 LYS A 68 -1.585 6.090 6.329 1.00 1.00 H new ATOM 0 HD3 LYS A 68 -1.297 4.590 7.189 1.00 1.00 H new ATOM 0 HE2 LYS A 68 0.751 5.834 7.414 1.00 1.00 H new ATOM 0 HE3 LYS A 68 1.095 4.623 6.195 1.00 1.00 H new ATOM 0 HZ1 LYS A 68 1.754 6.416 5.013 1.00 1.00 H new ATOM 0 HZ2 LYS A 68 0.101 6.592 4.669 1.00 1.00 H new ATOM 0 HZ3 LYS A 68 0.812 7.509 5.909 1.00 1.00 H new ATOM 1047 N VAL A 69 -3.766 4.625 1.975 1.00 1.00 N ATOM 1048 CA VAL A 69 -3.630 5.400 0.725 1.00 1.00 C ATOM 1049 C VAL A 69 -3.988 6.870 0.941 1.00 1.00 C ATOM 1050 O VAL A 69 -4.971 7.195 1.605 1.00 1.00 O ATOM 1051 CB VAL A 69 -4.549 4.797 -0.350 1.00 1.00 C ATOM 1052 CG1 VAL A 69 -4.376 5.552 -1.680 1.00 1.00 C ATOM 1053 CG2 VAL A 69 -4.192 3.320 -0.555 1.00 1.00 C ATOM 0 H VAL A 69 -4.687 4.690 2.409 1.00 1.00 H new ATOM 0 HA VAL A 69 -2.591 5.349 0.401 1.00 1.00 H new ATOM 0 HB VAL A 69 -5.585 4.885 -0.022 1.00 1.00 H new ATOM 0 HG11 VAL A 69 -5.032 5.116 -2.434 1.00 1.00 H new ATOM 0 HG12 VAL A 69 -4.633 6.602 -1.539 1.00 1.00 H new ATOM 0 HG13 VAL A 69 -3.340 5.474 -2.011 1.00 1.00 H new ATOM 0 HG21 VAL A 69 -4.843 2.891 -1.317 1.00 1.00 H new ATOM 0 HG22 VAL A 69 -3.154 3.238 -0.876 1.00 1.00 H new ATOM 0 HG23 VAL A 69 -4.326 2.780 0.382 1.00 1.00 H new ATOM 1063 N GLU A 70 -3.186 7.752 0.356 1.00 1.00 N ATOM 1064 CA GLU A 70 -3.416 9.189 0.478 1.00 1.00 C ATOM 1065 C GLU A 70 -4.767 9.570 -0.162 1.00 1.00 C ATOM 1066 O GLU A 70 -4.901 9.430 -1.378 1.00 1.00 O ATOM 1067 CB GLU A 70 -2.284 9.951 -0.233 1.00 1.00 C ATOM 1068 CG GLU A 70 -2.394 11.464 0.023 1.00 1.00 C ATOM 1069 CD GLU A 70 -2.185 11.778 1.503 1.00 1.00 C ATOM 1070 OE1 GLU A 70 -1.233 11.266 2.070 1.00 1.00 O ATOM 1071 OE2 GLU A 70 -2.983 12.521 2.048 1.00 1.00 O ATOM 0 H GLU A 70 -2.373 7.500 -0.206 1.00 1.00 H new ATOM 0 HA GLU A 70 -3.435 9.455 1.535 1.00 1.00 H new ATOM 0 HB2 GLU A 70 -1.319 9.588 0.120 1.00 1.00 H new ATOM 0 HB3 GLU A 70 -2.326 9.756 -1.305 1.00 1.00 H new ATOM 0 HG2 GLU A 70 -1.652 11.994 -0.574 1.00 1.00 H new ATOM 0 HG3 GLU A 70 -3.373 11.821 -0.295 1.00 1.00 H new ATOM 1078 N PRO A 71 -5.734 10.042 0.575 1.00 1.00 N ATOM 1079 CA PRO A 71 -7.046 10.426 -0.037 1.00 1.00 C ATOM 1080 C PRO A 71 -6.894 11.358 -1.250 1.00 1.00 C ATOM 1081 O PRO A 71 -6.133 12.324 -1.241 1.00 1.00 O ATOM 1082 CB PRO A 71 -7.793 11.141 1.116 1.00 1.00 C ATOM 1083 CG PRO A 71 -7.220 10.545 2.365 1.00 1.00 C ATOM 1084 CD PRO A 71 -5.745 10.256 2.047 1.00 1.00 C ATOM 0 HA PRO A 71 -7.574 9.556 -0.427 1.00 1.00 H new ATOM 0 HB2 PRO A 71 -7.635 12.219 1.082 1.00 1.00 H new ATOM 0 HB3 PRO A 71 -8.868 10.975 1.055 1.00 1.00 H new ATOM 0 HG2 PRO A 71 -7.312 11.233 3.205 1.00 1.00 H new ATOM 0 HG3 PRO A 71 -7.747 9.632 2.641 1.00 1.00 H new ATOM 0 HD2 PRO A 71 -5.103 11.089 2.335 1.00 1.00 H new ATOM 0 HD3 PRO A 71 -5.385 9.377 2.582 1.00 1.00 H new ATOM 1092 N ILE A 72 -7.657 11.062 -2.298 1.00 1.00 N ATOM 1093 CA ILE A 72 -7.623 11.869 -3.528 1.00 1.00 C ATOM 1094 C ILE A 72 -8.696 12.990 -3.471 1.00 1.00 C ATOM 1095 O ILE A 72 -9.887 12.679 -3.447 1.00 1.00 O ATOM 1096 CB ILE A 72 -7.874 10.962 -4.757 1.00 1.00 C ATOM 1097 CG1 ILE A 72 -6.854 9.767 -4.782 1.00 1.00 C ATOM 1098 CG2 ILE A 72 -7.703 11.800 -6.046 1.00 1.00 C ATOM 1099 CD1 ILE A 72 -7.458 8.511 -4.135 1.00 1.00 C ATOM 0 H ILE A 72 -8.305 10.275 -2.327 1.00 1.00 H new ATOM 0 HA ILE A 72 -6.640 12.332 -3.616 1.00 1.00 H new ATOM 0 HB ILE A 72 -8.885 10.559 -4.696 1.00 1.00 H new ATOM 0 HG12 ILE A 72 -6.570 9.549 -5.811 1.00 1.00 H new ATOM 0 HG13 ILE A 72 -5.944 10.050 -4.253 1.00 1.00 H new ATOM 0 HG21 ILE A 72 -7.878 11.168 -6.917 1.00 1.00 H new ATOM 0 HG22 ILE A 72 -8.419 12.621 -6.044 1.00 1.00 H new ATOM 0 HG23 ILE A 72 -6.691 12.202 -6.087 1.00 1.00 H new ATOM 0 HD11 ILE A 72 -6.730 7.700 -4.166 1.00 1.00 H new ATOM 0 HD12 ILE A 72 -7.719 8.725 -3.098 1.00 1.00 H new ATOM 0 HD13 ILE A 72 -8.354 8.216 -4.681 1.00 1.00 H new ATOM 1111 N PRO A 73 -8.326 14.241 -3.467 1.00 1.00 N ATOM 1112 CA PRO A 73 -9.344 15.350 -3.430 1.00 1.00 C ATOM 1113 C PRO A 73 -10.448 15.205 -4.492 1.00 1.00 C ATOM 1114 O PRO A 73 -10.186 14.928 -5.662 1.00 1.00 O ATOM 1115 CB PRO A 73 -8.511 16.630 -3.688 1.00 1.00 C ATOM 1116 CG PRO A 73 -7.126 16.293 -3.224 1.00 1.00 C ATOM 1117 CD PRO A 73 -6.943 14.784 -3.474 1.00 1.00 C ATOM 0 HA PRO A 73 -9.879 15.355 -2.480 1.00 1.00 H new ATOM 0 HB2 PRO A 73 -8.519 16.899 -4.744 1.00 1.00 H new ATOM 0 HB3 PRO A 73 -8.915 17.481 -3.139 1.00 1.00 H new ATOM 0 HG2 PRO A 73 -6.381 16.871 -3.771 1.00 1.00 H new ATOM 0 HG3 PRO A 73 -7.001 16.530 -2.168 1.00 1.00 H new ATOM 0 HD2 PRO A 73 -6.446 14.596 -4.426 1.00 1.00 H new ATOM 0 HD3 PRO A 73 -6.331 14.324 -2.699 1.00 1.00 H new ATOM 1125 N ASN A 74 -11.695 15.409 -4.077 1.00 1.00 N ATOM 1126 CA ASN A 74 -12.867 15.330 -4.963 1.00 1.00 C ATOM 1127 C ASN A 74 -13.106 13.905 -5.444 1.00 1.00 C ATOM 1128 O ASN A 74 -13.987 13.646 -6.264 1.00 1.00 O ATOM 1129 CB ASN A 74 -12.708 16.271 -6.173 1.00 1.00 C ATOM 1130 CG ASN A 74 -14.029 16.387 -6.935 1.00 1.00 C ATOM 1131 OD1 ASN A 74 -15.056 15.885 -6.479 1.00 1.00 O ATOM 1132 ND2 ASN A 74 -14.056 17.019 -8.075 1.00 1.00 N ATOM 0 H ASN A 74 -11.929 15.636 -3.110 1.00 1.00 H new ATOM 0 HA ASN A 74 -13.733 15.646 -4.381 1.00 1.00 H new ATOM 0 HB2 ASN A 74 -12.388 17.257 -5.836 1.00 1.00 H new ATOM 0 HB3 ASN A 74 -11.930 15.893 -6.836 1.00 1.00 H new ATOM 0 HD21 ASN A 74 -14.931 17.099 -8.593 1.00 1.00 H new ATOM 0 HD22 ASN A 74 -13.202 17.433 -8.449 1.00 1.00 H new ATOM 1139 N ILE A 75 -12.320 12.961 -4.935 1.00 1.00 N ATOM 1140 CA ILE A 75 -12.460 11.544 -5.311 1.00 1.00 C ATOM 1141 C ILE A 75 -12.318 10.665 -4.070 1.00 1.00 C ATOM 1142 O ILE A 75 -11.692 11.029 -3.073 1.00 1.00 O ATOM 1143 CB ILE A 75 -11.414 11.161 -6.399 1.00 1.00 C ATOM 1144 CG1 ILE A 75 -11.808 11.759 -7.784 1.00 1.00 C ATOM 1145 CG2 ILE A 75 -11.263 9.623 -6.519 1.00 1.00 C ATOM 1146 CD1 ILE A 75 -12.924 10.942 -8.474 1.00 1.00 C ATOM 0 H ILE A 75 -11.577 13.144 -4.260 1.00 1.00 H new ATOM 0 HA ILE A 75 -13.450 11.382 -5.736 1.00 1.00 H new ATOM 0 HB ILE A 75 -10.457 11.581 -6.090 1.00 1.00 H new ATOM 0 HG12 ILE A 75 -12.142 12.788 -7.652 1.00 1.00 H new ATOM 0 HG13 ILE A 75 -10.930 11.789 -8.429 1.00 1.00 H new ATOM 0 HG21 ILE A 75 -10.526 9.389 -7.287 1.00 1.00 H new ATOM 0 HG22 ILE A 75 -10.934 9.214 -5.564 1.00 1.00 H new ATOM 0 HG23 ILE A 75 -12.223 9.183 -6.791 1.00 1.00 H new ATOM 0 HD11 ILE A 75 -13.166 11.396 -9.435 1.00 1.00 H new ATOM 0 HD12 ILE A 75 -12.582 9.919 -8.631 1.00 1.00 H new ATOM 0 HD13 ILE A 75 -13.813 10.934 -7.843 1.00 1.00 H new ATOM 1158 N LYS A 76 -12.924 9.485 -4.140 1.00 1.00 N ATOM 1159 CA LYS A 76 -12.899 8.517 -3.028 1.00 1.00 C ATOM 1160 C LYS A 76 -12.420 7.145 -3.504 1.00 1.00 C ATOM 1161 O LYS A 76 -12.357 6.845 -4.696 1.00 1.00 O ATOM 1162 CB LYS A 76 -14.320 8.408 -2.417 1.00 1.00 C ATOM 1163 CG LYS A 76 -14.259 7.878 -0.965 1.00 1.00 C ATOM 1164 CD LYS A 76 -15.666 7.846 -0.328 1.00 1.00 C ATOM 1165 CE LYS A 76 -16.178 9.268 -0.019 1.00 1.00 C ATOM 1166 NZ LYS A 76 -17.342 9.178 0.906 1.00 1.00 N ATOM 0 H LYS A 76 -13.444 9.166 -4.957 1.00 1.00 H new ATOM 0 HA LYS A 76 -12.199 8.868 -2.270 1.00 1.00 H new ATOM 0 HB2 LYS A 76 -14.802 9.386 -2.431 1.00 1.00 H new ATOM 0 HB3 LYS A 76 -14.932 7.742 -3.026 1.00 1.00 H new ATOM 0 HG2 LYS A 76 -13.830 6.876 -0.957 1.00 1.00 H new ATOM 0 HG3 LYS A 76 -13.601 8.511 -0.370 1.00 1.00 H new ATOM 0 HD2 LYS A 76 -16.361 7.346 -1.003 1.00 1.00 H new ATOM 0 HD3 LYS A 76 -15.637 7.261 0.591 1.00 1.00 H new ATOM 0 HE2 LYS A 76 -15.384 9.863 0.433 1.00 1.00 H new ATOM 0 HE3 LYS A 76 -16.469 9.771 -0.941 1.00 1.00 H new ATOM 0 HZ1 LYS A 76 -17.692 10.134 1.118 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 -18.099 8.624 0.458 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 -17.049 8.713 1.789 1.00 1.00 H new ATOM 1180 N ILE A 77 -12.076 6.295 -2.543 1.00 1.00 N ATOM 1181 CA ILE A 77 -11.599 4.931 -2.830 1.00 1.00 C ATOM 1182 C ILE A 77 -12.552 3.904 -2.209 1.00 1.00 C ATOM 1183 O ILE A 77 -12.768 3.881 -0.998 1.00 1.00 O ATOM 1184 CB ILE A 77 -10.161 4.751 -2.283 1.00 1.00 C ATOM 1185 CG1 ILE A 77 -10.057 5.312 -0.849 1.00 1.00 C ATOM 1186 CG2 ILE A 77 -9.168 5.500 -3.189 1.00 1.00 C ATOM 1187 CD1 ILE A 77 -8.718 4.903 -0.233 1.00 1.00 C ATOM 0 H ILE A 77 -12.116 6.521 -1.549 1.00 1.00 H new ATOM 0 HA ILE A 77 -11.579 4.773 -3.908 1.00 1.00 H new ATOM 0 HB ILE A 77 -9.924 3.687 -2.269 1.00 1.00 H new ATOM 0 HG12 ILE A 77 -10.144 6.398 -0.866 1.00 1.00 H new ATOM 0 HG13 ILE A 77 -10.879 4.936 -0.240 1.00 1.00 H new ATOM 0 HG21 ILE A 77 -8.156 5.373 -2.803 1.00 1.00 H new ATOM 0 HG22 ILE A 77 -9.224 5.098 -4.201 1.00 1.00 H new ATOM 0 HG23 ILE A 77 -9.419 6.561 -3.206 1.00 1.00 H new ATOM 0 HD11 ILE A 77 -8.647 5.300 0.780 1.00 1.00 H new ATOM 0 HD12 ILE A 77 -8.649 3.816 -0.202 1.00 1.00 H new ATOM 0 HD13 ILE A 77 -7.903 5.301 -0.837 1.00 1.00 H new ATOM 1199 N VAL A 78 -13.113 3.034 -3.043 1.00 1.00 N ATOM 1200 CA VAL A 78 -14.050 2.021 -2.575 1.00 1.00 C ATOM 1201 C VAL A 78 -13.413 1.174 -1.484 1.00 1.00 C ATOM 1202 O VAL A 78 -13.993 0.995 -0.413 1.00 1.00 O ATOM 1203 CB VAL A 78 -14.461 1.130 -3.757 1.00 1.00 C ATOM 1204 CG1 VAL A 78 -15.433 0.035 -3.297 1.00 1.00 C ATOM 1205 CG2 VAL A 78 -15.138 1.987 -4.828 1.00 1.00 C ATOM 0 H VAL A 78 -12.934 3.011 -4.047 1.00 1.00 H new ATOM 0 HA VAL A 78 -14.931 2.511 -2.161 1.00 1.00 H new ATOM 0 HB VAL A 78 -13.567 0.658 -4.165 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -15.712 -0.585 -4.149 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -14.952 -0.584 -2.540 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -16.327 0.495 -2.875 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -15.430 1.356 -5.668 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -16.023 2.464 -4.407 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -14.444 2.753 -5.174 1.00 1.00 H new ATOM 1215 N GLU A 79 -12.216 0.651 -1.725 1.00 1.00 N ATOM 1216 CA GLU A 79 -11.528 -0.167 -0.730 1.00 1.00 C ATOM 1217 C GLU A 79 -10.202 -0.684 -1.289 1.00 1.00 C ATOM 1218 O GLU A 79 -10.054 -0.956 -2.480 1.00 1.00 O ATOM 1219 CB GLU A 79 -12.423 -1.369 -0.270 1.00 1.00 C ATOM 1220 CG GLU A 79 -12.747 -1.281 1.236 1.00 1.00 C ATOM 1221 CD GLU A 79 -13.606 -2.468 1.668 1.00 1.00 C ATOM 1222 OE1 GLU A 79 -13.861 -3.330 0.841 1.00 1.00 O ATOM 1223 OE2 GLU A 79 -13.995 -2.499 2.824 1.00 1.00 O ATOM 0 H GLU A 79 -11.702 0.778 -2.597 1.00 1.00 H new ATOM 0 HA GLU A 79 -11.327 0.461 0.138 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -13.350 -1.376 -0.844 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -11.911 -2.308 -0.480 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -11.822 -1.265 1.813 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -13.271 -0.349 1.448 1.00 1.00 H new ATOM 1230 N ILE A 80 -9.228 -0.831 -0.398 1.00 1.00 N ATOM 1231 CA ILE A 80 -7.907 -1.333 -0.768 1.00 1.00 C ATOM 1232 C ILE A 80 -7.917 -2.863 -0.773 1.00 1.00 C ATOM 1233 O ILE A 80 -8.883 -3.505 -0.359 1.00 1.00 O ATOM 1234 CB ILE A 80 -6.852 -0.802 0.222 1.00 1.00 C ATOM 1235 CG1 ILE A 80 -7.342 -1.026 1.664 1.00 1.00 C ATOM 1236 CG2 ILE A 80 -6.627 0.699 -0.016 1.00 1.00 C ATOM 1237 CD1 ILE A 80 -6.249 -0.637 2.666 1.00 1.00 C ATOM 0 H ILE A 80 -9.328 -0.608 0.592 1.00 1.00 H new ATOM 0 HA ILE A 80 -7.653 -0.983 -1.769 1.00 1.00 H new ATOM 0 HB ILE A 80 -5.914 -1.335 0.069 1.00 1.00 H new ATOM 0 HG12 ILE A 80 -8.239 -0.434 1.846 1.00 1.00 H new ATOM 0 HG13 ILE A 80 -7.617 -2.072 1.803 1.00 1.00 H new ATOM 0 HG21 ILE A 80 -5.880 1.071 0.686 1.00 1.00 H new ATOM 0 HG22 ILE A 80 -6.277 0.857 -1.036 1.00 1.00 H new ATOM 0 HG23 ILE A 80 -7.564 1.236 0.133 1.00 1.00 H new ATOM 0 HD11 ILE A 80 -6.611 -0.801 3.681 1.00 1.00 H new ATOM 0 HD12 ILE A 80 -5.363 -1.248 2.493 1.00 1.00 H new ATOM 0 HD13 ILE A 80 -5.995 0.415 2.537 1.00 1.00 H new ATOM 1249 N SER A 81 -6.830 -3.461 -1.248 1.00 1.00 N ATOM 1250 CA SER A 81 -6.757 -4.925 -1.293 1.00 1.00 C ATOM 1251 C SER A 81 -5.388 -5.408 -1.841 1.00 1.00 C ATOM 1252 O SER A 81 -5.086 -5.098 -2.995 1.00 1.00 O ATOM 1253 CB SER A 81 -7.871 -5.467 -2.212 1.00 1.00 C ATOM 1254 OG SER A 81 -7.540 -6.786 -2.628 1.00 1.00 O ATOM 0 H SER A 81 -6.005 -2.975 -1.600 1.00 1.00 H new ATOM 0 HA SER A 81 -6.879 -5.297 -0.276 1.00 1.00 H new ATOM 0 HB2 SER A 81 -8.825 -5.469 -1.684 1.00 1.00 H new ATOM 0 HB3 SER A 81 -7.989 -4.819 -3.080 1.00 1.00 H new ATOM 0 HG SER A 81 -8.248 -7.132 -3.211 1.00 1.00 H new ATOM 1260 N PRO A 82 -4.600 -6.144 -1.107 1.00 1.00 N ATOM 1261 CA PRO A 82 -4.861 -6.586 0.312 1.00 1.00 C ATOM 1262 C PRO A 82 -4.890 -5.397 1.271 1.00 1.00 C ATOM 1263 O PRO A 82 -4.097 -4.461 1.164 1.00 1.00 O ATOM 1264 CB PRO A 82 -3.674 -7.543 0.636 1.00 1.00 C ATOM 1265 CG PRO A 82 -3.098 -7.907 -0.702 1.00 1.00 C ATOM 1266 CD PRO A 82 -3.303 -6.667 -1.575 1.00 1.00 C ATOM 0 HA PRO A 82 -5.831 -7.070 0.423 1.00 1.00 H new ATOM 0 HB2 PRO A 82 -2.932 -7.053 1.266 1.00 1.00 H new ATOM 0 HB3 PRO A 82 -4.015 -8.428 1.174 1.00 1.00 H new ATOM 0 HG2 PRO A 82 -2.041 -8.161 -0.620 1.00 1.00 H new ATOM 0 HG3 PRO A 82 -3.603 -8.775 -1.126 1.00 1.00 H new ATOM 0 HD2 PRO A 82 -2.502 -5.941 -1.439 1.00 1.00 H new ATOM 0 HD3 PRO A 82 -3.328 -6.919 -2.635 1.00 1.00 H new ATOM 1274 N ARG A 83 -5.799 -5.439 2.238 1.00 1.00 N ATOM 1275 CA ARG A 83 -5.931 -4.375 3.229 1.00 1.00 C ATOM 1276 C ARG A 83 -4.818 -4.496 4.256 1.00 1.00 C ATOM 1277 O ARG A 83 -4.507 -3.557 4.988 1.00 1.00 O ATOM 1278 CB ARG A 83 -7.322 -4.444 3.901 1.00 1.00 C ATOM 1279 CG ARG A 83 -7.723 -5.907 4.133 1.00 1.00 C ATOM 1280 CD ARG A 83 -9.020 -5.981 4.932 1.00 1.00 C ATOM 1281 NE ARG A 83 -9.471 -7.368 4.978 1.00 1.00 N ATOM 1282 CZ ARG A 83 -10.421 -7.767 5.822 1.00 1.00 C ATOM 1283 NH1 ARG A 83 -10.952 -6.917 6.659 1.00 1.00 N ATOM 1284 NH2 ARG A 83 -10.820 -9.009 5.813 1.00 1.00 N ATOM 0 H ARG A 83 -6.461 -6.205 2.358 1.00 1.00 H new ATOM 0 HA ARG A 83 -5.844 -3.406 2.738 1.00 1.00 H new ATOM 0 HB2 ARG A 83 -7.303 -3.909 4.850 1.00 1.00 H new ATOM 0 HB3 ARG A 83 -8.063 -3.951 3.272 1.00 1.00 H new ATOM 0 HG2 ARG A 83 -7.849 -6.413 3.176 1.00 1.00 H new ATOM 0 HG3 ARG A 83 -6.929 -6.428 4.667 1.00 1.00 H new ATOM 0 HD2 ARG A 83 -8.862 -5.603 5.942 1.00 1.00 H new ATOM 0 HD3 ARG A 83 -9.782 -5.352 4.472 1.00 1.00 H new ATOM 0 HE ARG A 83 -9.048 -8.049 4.348 1.00 1.00 H new ATOM 0 HH11 ARG A 83 -10.639 -5.946 6.667 1.00 1.00 H new ATOM 0 HH12 ARG A 83 -11.679 -7.224 7.305 1.00 1.00 H new ATOM 0 HH21 ARG A 83 -10.405 -9.673 5.160 1.00 1.00 H new ATOM 0 HH22 ARG A 83 -11.547 -9.316 6.459 1.00 1.00 H new ATOM 1298 N VAL A 84 -4.201 -5.672 4.311 1.00 1.00 N ATOM 1299 CA VAL A 84 -3.102 -5.957 5.232 1.00 1.00 C ATOM 1300 C VAL A 84 -2.017 -6.728 4.485 1.00 1.00 C ATOM 1301 O VAL A 84 -2.307 -7.561 3.626 1.00 1.00 O ATOM 1302 CB VAL A 84 -3.620 -6.778 6.421 1.00 1.00 C ATOM 1303 CG1 VAL A 84 -2.466 -7.110 7.377 1.00 1.00 C ATOM 1304 CG2 VAL A 84 -4.680 -5.962 7.168 1.00 1.00 C ATOM 0 H VAL A 84 -4.450 -6.461 3.714 1.00 1.00 H new ATOM 0 HA VAL A 84 -2.685 -5.025 5.612 1.00 1.00 H new ATOM 0 HB VAL A 84 -4.054 -7.708 6.054 1.00 1.00 H new ATOM 0 HG11 VAL A 84 -2.845 -7.693 8.217 1.00 1.00 H new ATOM 0 HG12 VAL A 84 -1.709 -7.688 6.847 1.00 1.00 H new ATOM 0 HG13 VAL A 84 -2.023 -6.186 7.747 1.00 1.00 H new ATOM 0 HG21 VAL A 84 -5.053 -6.538 8.014 1.00 1.00 H new ATOM 0 HG22 VAL A 84 -4.237 -5.033 7.528 1.00 1.00 H new ATOM 0 HG23 VAL A 84 -5.505 -5.733 6.493 1.00 1.00 H new ATOM 1314 N VAL A 85 -0.758 -6.458 4.816 1.00 1.00 N ATOM 1315 CA VAL A 85 0.374 -7.134 4.159 1.00 1.00 C ATOM 1316 C VAL A 85 1.418 -7.585 5.172 1.00 1.00 C ATOM 1317 O VAL A 85 1.483 -7.095 6.299 1.00 1.00 O ATOM 1318 CB VAL A 85 1.020 -6.193 3.129 1.00 1.00 C ATOM 1319 CG1 VAL A 85 0.020 -5.898 2.008 1.00 1.00 C ATOM 1320 CG2 VAL A 85 1.418 -4.877 3.801 1.00 1.00 C ATOM 0 H VAL A 85 -0.489 -5.781 5.530 1.00 1.00 H new ATOM 0 HA VAL A 85 -0.012 -8.020 3.655 1.00 1.00 H new ATOM 0 HB VAL A 85 1.908 -6.674 2.718 1.00 1.00 H new ATOM 0 HG11 VAL A 85 0.478 -5.231 1.278 1.00 1.00 H new ATOM 0 HG12 VAL A 85 -0.264 -6.830 1.520 1.00 1.00 H new ATOM 0 HG13 VAL A 85 -0.867 -5.423 2.427 1.00 1.00 H new ATOM 0 HG21 VAL A 85 1.875 -4.216 3.065 1.00 1.00 H new ATOM 0 HG22 VAL A 85 0.532 -4.399 4.218 1.00 1.00 H new ATOM 0 HG23 VAL A 85 2.131 -5.078 4.600 1.00 1.00 H new ATOM 1330 N THR A 86 2.241 -8.537 4.745 1.00 1.00 N ATOM 1331 CA THR A 86 3.305 -9.101 5.591 1.00 1.00 C ATOM 1332 C THR A 86 4.675 -8.789 4.999 1.00 1.00 C ATOM 1333 O THR A 86 4.932 -9.017 3.816 1.00 1.00 O ATOM 1334 CB THR A 86 3.119 -10.621 5.684 1.00 1.00 C ATOM 1335 OG1 THR A 86 1.812 -10.902 6.165 1.00 1.00 O ATOM 1336 CG2 THR A 86 4.149 -11.225 6.645 1.00 1.00 C ATOM 0 H THR A 86 2.196 -8.942 3.810 1.00 1.00 H new ATOM 0 HA THR A 86 3.245 -8.657 6.585 1.00 1.00 H new ATOM 0 HB THR A 86 3.257 -11.057 4.695 1.00 1.00 H new ATOM 0 HG1 THR A 86 1.774 -10.728 7.129 1.00 1.00 H new ATOM 0 HG21 THR A 86 4.005 -12.304 6.701 1.00 1.00 H new ATOM 0 HG22 THR A 86 5.154 -11.011 6.282 1.00 1.00 H new ATOM 0 HG23 THR A 86 4.021 -10.790 7.636 1.00 1.00 H new ATOM 1344 N LEU A 87 5.561 -8.268 5.841 1.00 1.00 N ATOM 1345 CA LEU A 87 6.924 -7.915 5.407 1.00 1.00 C ATOM 1346 C LEU A 87 7.942 -8.412 6.427 1.00 1.00 C ATOM 1347 O LEU A 87 7.882 -8.064 7.606 1.00 1.00 O ATOM 1348 CB LEU A 87 7.051 -6.388 5.255 1.00 1.00 C ATOM 1349 CG LEU A 87 6.085 -5.857 4.164 1.00 1.00 C ATOM 1350 CD1 LEU A 87 6.070 -4.318 4.204 1.00 1.00 C ATOM 1351 CD2 LEU A 87 6.522 -6.325 2.752 1.00 1.00 C ATOM 0 H LEU A 87 5.369 -8.078 6.825 1.00 1.00 H new ATOM 0 HA LEU A 87 7.118 -8.389 4.445 1.00 1.00 H new ATOM 0 HB2 LEU A 87 6.832 -5.904 6.207 1.00 1.00 H new ATOM 0 HB3 LEU A 87 8.077 -6.129 4.995 1.00 1.00 H new ATOM 0 HG LEU A 87 5.089 -6.252 4.366 1.00 1.00 H new ATOM 0 HD11 LEU A 87 5.392 -3.941 3.438 1.00 1.00 H new ATOM 0 HD12 LEU A 87 5.732 -3.983 5.185 1.00 1.00 H new ATOM 0 HD13 LEU A 87 7.075 -3.939 4.017 1.00 1.00 H new ATOM 0 HD21 LEU A 87 5.826 -5.937 2.008 1.00 1.00 H new ATOM 0 HD22 LEU A 87 7.524 -5.953 2.539 1.00 1.00 H new ATOM 0 HD23 LEU A 87 6.524 -7.414 2.714 1.00 1.00 H new ATOM 1363 N GLN A 88 8.884 -9.226 5.963 1.00 1.00 N ATOM 1364 CA GLN A 88 9.923 -9.778 6.836 1.00 1.00 C ATOM 1365 C GLN A 88 11.168 -8.894 6.796 1.00 1.00 C ATOM 1366 O GLN A 88 11.738 -8.633 5.736 1.00 1.00 O ATOM 1367 CB GLN A 88 10.273 -11.199 6.380 1.00 1.00 C ATOM 1368 CG GLN A 88 9.058 -12.110 6.582 1.00 1.00 C ATOM 1369 CD GLN A 88 9.361 -13.516 6.079 1.00 1.00 C ATOM 1370 OE1 GLN A 88 10.487 -13.805 5.674 1.00 1.00 O ATOM 1371 NE2 GLN A 88 8.415 -14.415 6.082 1.00 1.00 N ATOM 0 H GLN A 88 8.953 -9.520 4.989 1.00 1.00 H new ATOM 0 HA GLN A 88 9.551 -9.810 7.860 1.00 1.00 H new ATOM 0 HB2 GLN A 88 10.568 -11.194 5.331 1.00 1.00 H new ATOM 0 HB3 GLN A 88 11.123 -11.576 6.948 1.00 1.00 H new ATOM 0 HG2 GLN A 88 8.792 -12.144 7.639 1.00 1.00 H new ATOM 0 HG3 GLN A 88 8.198 -11.704 6.050 1.00 1.00 H new ATOM 0 HE21 GLN A 88 7.483 -14.173 6.418 1.00 1.00 H new ATOM 0 HE22 GLN A 88 8.608 -15.359 5.748 1.00 1.00 H new ATOM 1380 N LEU A 89 11.587 -8.437 7.971 1.00 1.00 N ATOM 1381 CA LEU A 89 12.766 -7.570 8.099 1.00 1.00 C ATOM 1382 C LEU A 89 13.938 -8.359 8.677 1.00 1.00 C ATOM 1383 O LEU A 89 13.749 -9.385 9.331 1.00 1.00 O ATOM 1384 CB LEU A 89 12.438 -6.392 9.025 1.00 1.00 C ATOM 1385 CG LEU A 89 11.175 -5.650 8.544 1.00 1.00 C ATOM 1386 CD1 LEU A 89 10.878 -4.516 9.528 1.00 1.00 C ATOM 1387 CD2 LEU A 89 11.385 -5.074 7.128 1.00 1.00 C ATOM 0 H LEU A 89 11.129 -8.651 8.857 1.00 1.00 H new ATOM 0 HA LEU A 89 13.040 -7.196 7.112 1.00 1.00 H new ATOM 0 HB2 LEU A 89 12.287 -6.755 10.042 1.00 1.00 H new ATOM 0 HB3 LEU A 89 13.281 -5.702 9.055 1.00 1.00 H new ATOM 0 HG LEU A 89 10.337 -6.346 8.503 1.00 1.00 H new ATOM 0 HD11 LEU A 89 9.987 -3.978 9.205 1.00 1.00 H new ATOM 0 HD12 LEU A 89 10.711 -4.931 10.522 1.00 1.00 H new ATOM 0 HD13 LEU A 89 11.725 -3.830 9.559 1.00 1.00 H new ATOM 0 HD21 LEU A 89 10.481 -4.555 6.809 1.00 1.00 H new ATOM 0 HD22 LEU A 89 12.221 -4.374 7.140 1.00 1.00 H new ATOM 0 HD23 LEU A 89 11.602 -5.886 6.433 1.00 1.00 H new ATOM 1399 N GLU A 90 15.153 -7.880 8.432 1.00 1.00 N ATOM 1400 CA GLU A 90 16.350 -8.565 8.948 1.00 1.00 C ATOM 1401 C GLU A 90 17.443 -7.561 9.309 1.00 1.00 C ATOM 1402 O GLU A 90 17.701 -6.599 8.584 1.00 1.00 O ATOM 1403 CB GLU A 90 16.874 -9.568 7.902 1.00 1.00 C ATOM 1404 CG GLU A 90 17.931 -10.500 8.531 1.00 1.00 C ATOM 1405 CD GLU A 90 17.275 -11.476 9.510 1.00 1.00 C ATOM 1406 OE1 GLU A 90 16.056 -11.518 9.556 1.00 1.00 O ATOM 1407 OE2 GLU A 90 18.005 -12.174 10.198 1.00 1.00 O ATOM 0 H GLU A 90 15.342 -7.037 7.890 1.00 1.00 H new ATOM 0 HA GLU A 90 16.073 -9.104 9.854 1.00 1.00 H new ATOM 0 HB2 GLU A 90 16.047 -10.159 7.509 1.00 1.00 H new ATOM 0 HB3 GLU A 90 17.309 -9.030 7.060 1.00 1.00 H new ATOM 0 HG2 GLU A 90 18.447 -11.055 7.747 1.00 1.00 H new ATOM 0 HG3 GLU A 90 18.684 -9.907 9.050 1.00 1.00 H new ATOM 1414 N HIS A 91 18.093 -7.804 10.441 1.00 1.00 N ATOM 1415 CA HIS A 91 19.165 -6.933 10.915 1.00 1.00 C ATOM 1416 C HIS A 91 20.390 -7.060 10.012 1.00 1.00 C ATOM 1417 O HIS A 91 20.712 -8.144 9.527 1.00 1.00 O ATOM 1418 CB HIS A 91 19.537 -7.307 12.353 1.00 1.00 C ATOM 1419 CG HIS A 91 19.853 -8.775 12.426 1.00 1.00 C ATOM 1420 ND1 HIS A 91 20.997 -9.314 11.859 1.00 1.00 N ATOM 1421 CD2 HIS A 91 19.186 -9.830 12.998 1.00 1.00 C ATOM 1422 CE1 HIS A 91 20.983 -10.638 12.101 1.00 1.00 C ATOM 1423 NE2 HIS A 91 19.901 -11.005 12.790 1.00 1.00 N ATOM 0 H HIS A 91 17.897 -8.599 11.050 1.00 1.00 H new ATOM 0 HA HIS A 91 18.817 -5.900 10.889 1.00 1.00 H new ATOM 0 HB2 HIS A 91 20.397 -6.723 12.681 1.00 1.00 H new ATOM 0 HB3 HIS A 91 18.714 -7.068 13.026 1.00 1.00 H new ATOM 0 HD1 HIS A 91 21.718 -8.801 11.351 1.00 1.00 H new ATOM 0 HD2 HIS A 91 18.248 -9.758 13.529 1.00 1.00 H new ATOM 0 HE1 HIS A 91 21.754 -11.321 11.777 1.00 1.00 H new ATOM 1432 N HIS A 92 21.081 -5.944 9.797 1.00 1.00 N ATOM 1433 CA HIS A 92 22.270 -5.917 8.953 1.00 1.00 C ATOM 1434 C HIS A 92 23.313 -6.921 9.443 1.00 1.00 C ATOM 1435 O HIS A 92 23.579 -7.041 10.639 1.00 1.00 O ATOM 1436 CB HIS A 92 22.866 -4.504 8.954 1.00 1.00 C ATOM 1437 CG HIS A 92 24.064 -4.446 8.043 1.00 1.00 C ATOM 1438 ND1 HIS A 92 23.959 -4.605 6.670 1.00 1.00 N ATOM 1439 CD2 HIS A 92 25.398 -4.241 8.296 1.00 1.00 C ATOM 1440 CE1 HIS A 92 25.197 -4.494 6.154 1.00 1.00 C ATOM 1441 NE2 HIS A 92 26.111 -4.270 7.101 1.00 1.00 N ATOM 0 H HIS A 92 20.835 -5.040 10.200 1.00 1.00 H new ATOM 0 HA HIS A 92 21.982 -6.194 7.939 1.00 1.00 H new ATOM 0 HB2 HIS A 92 22.116 -3.784 8.627 1.00 1.00 H new ATOM 0 HB3 HIS A 92 23.156 -4.224 9.967 1.00 1.00 H new ATOM 0 HD2 HIS A 92 25.828 -4.082 9.274 1.00 1.00 H new ATOM 0 HE1 HIS A 92 25.424 -4.576 5.101 1.00 1.00 H new ATOM 0 HE2 HIS A 92 27.116 -4.147 6.976 1.00 1.00 H new