USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 676 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 19 ASN : amide:sc= 1.13 K(o=3.3,f=0.27!) USER MOD Set 1.2: A 56 SER OG : rot 115:sc= 2.2 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 20 THR OG1 : rot 70:sc= -2.75! USER MOD Single : A 23 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 24 SER OG : rot 36:sc= -0.63 USER MOD Single : A 25 MET CE :methyl 164:sc= -0.104 (180deg=-0.462) USER MOD Single : A 27 MET CE :methyl 139:sc= -0.15 (180deg=-0.855) USER MOD Single : A 28 THR OG1 : rot -128:sc= 0.321 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 12:sc= -0.107 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -0:sc= 0.518 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN :FLIP amide:sc= -0.565 F(o=-3.2!,f=-0.57) USER MOD Single : A 43 SER OG : rot 180:sc= 0.00131 USER MOD Single : A 45 ASN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 47 ASN : amide:sc=-0.000902 X(o=-0.0009,f=-0.015) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 53:sc= 0.0727 USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot 169:sc= 0.082 USER MOD Single : A 68 LYS NZ :NH3+ -159:sc= 1.24 (180deg=0.985) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) 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 -54:sc= 1.25 USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 91 HIS : no HE2:sc= 0.659 K(o=0.66,f=-2.6!) USER MOD Single : A 92 HIS : no HD1:sc= -0.0403 X(o=-0.04,f=-0.035) USER MOD ----------------------------------------------------------------- ATOM 111 N ASP A 8 -16.246 2.909 -11.425 1.00 0.00 N ATOM 112 CA ASP A 8 -15.456 2.508 -10.271 1.00 0.00 C ATOM 113 C ASP A 8 -14.050 2.081 -10.697 1.00 0.00 C ATOM 114 O ASP A 8 -13.783 0.901 -10.937 1.00 0.00 O ATOM 115 CB ASP A 8 -16.163 1.379 -9.495 1.00 0.00 C ATOM 116 CG ASP A 8 -16.585 0.193 -10.361 1.00 0.00 C ATOM 117 OD1 ASP A 8 -16.464 0.263 -11.605 1.00 0.00 O ATOM 118 OD2 ASP A 8 -17.065 -0.815 -9.794 1.00 0.00 O ATOM 0 HA ASP A 8 -15.360 3.367 -9.607 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -15.498 1.022 -8.709 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -17.046 1.788 -9.004 1.00 0.00 H new ATOM 123 N PRO A 9 -13.128 3.047 -10.818 1.00 0.00 N ATOM 124 CA PRO A 9 -11.759 2.778 -11.244 1.00 0.00 C ATOM 125 C PRO A 9 -10.957 2.057 -10.169 1.00 0.00 C ATOM 126 O PRO A 9 -11.244 2.174 -8.975 1.00 0.00 O ATOM 127 CB PRO A 9 -11.164 4.173 -11.502 1.00 0.00 C ATOM 128 CG PRO A 9 -12.312 5.125 -11.425 1.00 0.00 C ATOM 129 CD PRO A 9 -13.336 4.472 -10.546 1.00 0.00 C ATOM 0 HA PRO A 9 -11.733 2.128 -12.118 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.403 4.417 -10.761 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.683 4.218 -12.479 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.997 6.083 -11.011 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.720 5.325 -12.416 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.179 4.711 -9.494 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -14.348 4.789 -10.798 1.00 0.00 H new ATOM 137 N THR A 10 -9.962 1.299 -10.595 1.00 0.00 N ATOM 138 CA THR A 10 -9.071 0.630 -9.668 1.00 0.00 C ATOM 139 C THR A 10 -7.711 1.316 -9.677 1.00 0.00 C ATOM 140 O THR A 10 -6.999 1.296 -10.683 1.00 0.00 O ATOM 141 CB THR A 10 -8.913 -0.859 -10.024 1.00 0.00 C ATOM 142 OG1 THR A 10 -10.209 -1.464 -10.146 1.00 0.00 O ATOM 143 CG2 THR A 10 -8.107 -1.590 -8.960 1.00 0.00 C ATOM 0 H THR A 10 -9.752 1.132 -11.579 1.00 0.00 H new ATOM 0 HA THR A 10 -9.504 0.693 -8.670 1.00 0.00 H new ATOM 0 HB THR A 10 -8.380 -0.933 -10.972 1.00 0.00 H new ATOM 0 HG1 THR A 10 -10.107 -2.412 -10.374 1.00 0.00 H new ATOM 0 HG21 THR A 10 -8.010 -2.640 -9.235 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.116 -1.142 -8.882 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.617 -1.512 -8.000 1.00 0.00 H new ATOM 151 N LEU A 11 -7.365 1.941 -8.565 1.00 0.00 N ATOM 152 CA LEU A 11 -6.122 2.682 -8.464 1.00 0.00 C ATOM 153 C LEU A 11 -5.004 1.781 -7.968 1.00 0.00 C ATOM 154 O LEU A 11 -5.140 1.100 -6.951 1.00 0.00 O ATOM 155 CB LEU A 11 -6.289 3.883 -7.535 1.00 0.00 C ATOM 156 CG LEU A 11 -7.315 4.915 -8.000 1.00 0.00 C ATOM 157 CD1 LEU A 11 -7.516 5.985 -6.939 1.00 0.00 C ATOM 158 CD2 LEU A 11 -6.881 5.543 -9.316 1.00 0.00 C ATOM 0 H LEU A 11 -7.931 1.949 -7.716 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.858 3.047 -9.457 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.578 3.523 -6.548 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.323 4.376 -7.424 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.266 4.406 -8.158 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.250 6.711 -7.289 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.873 5.522 -6.019 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.569 6.490 -6.748 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.624 6.276 -9.632 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.918 6.036 -9.184 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.790 4.768 -10.077 1.00 0.00 H new ATOM 170 N THR A 12 -3.911 1.772 -8.700 1.00 0.00 N ATOM 171 CA THR A 12 -2.772 0.945 -8.354 1.00 0.00 C ATOM 172 C THR A 12 -1.668 1.797 -7.732 1.00 0.00 C ATOM 173 O THR A 12 -0.956 2.516 -8.435 1.00 0.00 O ATOM 174 CB THR A 12 -2.228 0.221 -9.598 1.00 0.00 C ATOM 175 OG1 THR A 12 -3.322 -0.199 -10.429 1.00 0.00 O ATOM 176 CG2 THR A 12 -1.404 -0.992 -9.200 1.00 0.00 C ATOM 0 H THR A 12 -3.786 2.331 -9.544 1.00 0.00 H new ATOM 0 HA THR A 12 -3.101 0.200 -7.630 1.00 0.00 H new ATOM 0 HB THR A 12 -1.589 0.913 -10.147 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.973 -0.658 -11.221 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.030 -1.488 -10.096 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.563 -0.674 -8.583 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.027 -1.685 -8.635 1.00 0.00 H new ATOM 184 N LEU A 13 -1.542 1.727 -6.415 1.00 0.00 N ATOM 185 CA LEU A 13 -0.567 2.540 -5.702 1.00 0.00 C ATOM 186 C LEU A 13 0.636 1.699 -5.313 1.00 0.00 C ATOM 187 O LEU A 13 0.500 0.515 -4.995 1.00 0.00 O ATOM 188 CB LEU A 13 -1.171 3.169 -4.434 1.00 0.00 C ATOM 189 CG LEU A 13 -2.381 4.090 -4.635 1.00 0.00 C ATOM 190 CD1 LEU A 13 -2.180 5.007 -5.830 1.00 0.00 C ATOM 191 CD2 LEU A 13 -3.663 3.284 -4.778 1.00 0.00 C ATOM 0 H LEU A 13 -2.101 1.117 -5.819 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.260 3.341 -6.374 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.464 2.364 -3.760 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.390 3.738 -3.930 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.474 4.715 -3.747 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.054 5.648 -5.948 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.296 5.624 -5.670 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.046 4.407 -6.730 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.505 3.962 -4.919 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.582 2.621 -5.640 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.822 2.691 -3.878 1.00 0.00 H new ATOM 203 N SER A 14 1.810 2.298 -5.353 1.00 0.00 N ATOM 204 CA SER A 14 3.017 1.629 -4.904 1.00 0.00 C ATOM 205 C SER A 14 3.059 1.621 -3.379 1.00 0.00 C ATOM 206 O SER A 14 2.613 2.576 -2.736 1.00 0.00 O ATOM 207 CB SER A 14 4.249 2.347 -5.455 1.00 0.00 C ATOM 208 OG SER A 14 4.124 2.587 -6.849 1.00 0.00 O ATOM 0 H SER A 14 1.955 3.249 -5.693 1.00 0.00 H new ATOM 0 HA SER A 14 3.015 0.602 -5.270 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.386 3.293 -4.931 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.138 1.746 -5.265 1.00 0.00 H new ATOM 0 HG SER A 14 4.925 3.049 -7.175 1.00 0.00 H new ATOM 214 N LEU A 15 3.571 0.544 -2.805 1.00 0.00 N ATOM 215 CA LEU A 15 3.706 0.449 -1.362 1.00 0.00 C ATOM 216 C LEU A 15 5.046 1.031 -0.932 1.00 0.00 C ATOM 217 O LEU A 15 6.088 0.666 -1.471 1.00 0.00 O ATOM 218 CB LEU A 15 3.584 -1.009 -0.907 1.00 0.00 C ATOM 219 CG LEU A 15 3.669 -1.231 0.605 1.00 0.00 C ATOM 220 CD1 LEU A 15 2.476 -0.600 1.306 1.00 0.00 C ATOM 221 CD2 LEU A 15 3.753 -2.716 0.921 1.00 0.00 C ATOM 0 H LEU A 15 3.899 -0.275 -3.316 1.00 0.00 H new ATOM 0 HA LEU A 15 2.905 1.020 -0.893 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.633 -1.405 -1.263 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.371 -1.590 -1.388 1.00 0.00 H new ATOM 0 HG LEU A 15 4.575 -0.750 0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.554 -0.768 2.380 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.462 0.472 1.107 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.556 -1.050 0.934 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.813 -2.855 2.000 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.865 -3.220 0.539 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.641 -3.138 0.451 1.00 0.00 H new ATOM 233 N ILE A 16 5.012 1.958 0.014 1.00 0.00 N ATOM 234 CA ILE A 16 6.228 2.587 0.510 1.00 0.00 C ATOM 235 C ILE A 16 6.360 2.399 2.016 1.00 0.00 C ATOM 236 O ILE A 16 5.432 1.934 2.680 1.00 0.00 O ATOM 237 CB ILE A 16 6.276 4.099 0.189 1.00 0.00 C ATOM 238 CG1 ILE A 16 5.112 4.832 0.864 1.00 0.00 C ATOM 239 CG2 ILE A 16 6.254 4.327 -1.317 1.00 0.00 C ATOM 240 CD1 ILE A 16 5.199 6.340 0.758 1.00 0.00 C ATOM 0 H ILE A 16 4.155 2.292 0.454 1.00 0.00 H new ATOM 0 HA ILE A 16 7.058 2.098 0.000 1.00 0.00 H new ATOM 0 HB ILE A 16 7.208 4.504 0.583 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.176 4.499 0.416 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.079 4.552 1.917 1.00 0.00 H new ATOM 0 HG21 ILE A 16 6.288 5.397 -1.524 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.118 3.842 -1.771 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.340 3.906 -1.735 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.342 6.790 1.258 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.118 6.686 1.231 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.200 6.631 -0.292 1.00 0.00 H new ATOM 252 N ALA A 17 7.512 2.770 2.547 1.00 0.00 N ATOM 253 CA ALA A 17 7.774 2.660 3.972 1.00 0.00 C ATOM 254 C ALA A 17 7.761 4.042 4.617 1.00 0.00 C ATOM 255 O ALA A 17 8.523 4.925 4.216 1.00 0.00 O ATOM 256 CB ALA A 17 9.111 1.974 4.195 1.00 0.00 C ATOM 0 H ALA A 17 8.288 3.154 2.007 1.00 0.00 H new ATOM 0 HA ALA A 17 6.992 2.060 4.437 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.305 1.893 5.265 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.087 0.977 3.754 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.903 2.559 3.726 1.00 0.00 H new ATOM 262 N LYS A 18 6.897 4.238 5.607 1.00 0.00 N ATOM 263 CA LYS A 18 6.773 5.539 6.255 1.00 0.00 C ATOM 264 C LYS A 18 7.207 5.457 7.716 1.00 0.00 C ATOM 265 O LYS A 18 6.917 4.474 8.403 1.00 0.00 O ATOM 266 CB LYS A 18 5.333 6.059 6.151 1.00 0.00 C ATOM 267 CG LYS A 18 5.176 7.501 6.608 1.00 0.00 C ATOM 268 CD LYS A 18 3.759 8.013 6.394 1.00 0.00 C ATOM 269 CE LYS A 18 3.644 9.484 6.761 1.00 0.00 C ATOM 270 NZ LYS A 18 2.278 10.022 6.523 1.00 0.00 N ATOM 0 H LYS A 18 6.276 3.518 5.977 1.00 0.00 H new ATOM 0 HA LYS A 18 7.430 6.240 5.741 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.998 5.975 5.117 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.681 5.423 6.750 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.434 7.577 7.664 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.877 8.133 6.062 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.472 7.872 5.352 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.064 7.430 6.998 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.906 9.615 7.811 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.364 10.058 6.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.250 11.027 6.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.036 9.922 5.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.592 9.493 7.098 1.00 0.00 H new ATOM 284 N ASN A 19 7.917 6.496 8.167 1.00 0.00 N ATOM 285 CA ASN A 19 8.463 6.565 9.528 1.00 0.00 C ATOM 286 C ASN A 19 9.349 5.353 9.808 1.00 0.00 C ATOM 287 O ASN A 19 9.464 4.887 10.940 1.00 0.00 O ATOM 288 CB ASN A 19 7.344 6.664 10.574 1.00 0.00 C ATOM 289 CG ASN A 19 7.863 7.146 11.920 1.00 0.00 C ATOM 290 OD1 ASN A 19 8.822 7.917 11.988 1.00 0.00 O ATOM 291 ND2 ASN A 19 7.247 6.697 12.999 1.00 0.00 N ATOM 0 H ASN A 19 8.130 7.315 7.598 1.00 0.00 H new ATOM 0 HA ASN A 19 9.069 7.468 9.600 1.00 0.00 H new ATOM 0 HB2 ASN A 19 6.573 7.347 10.217 1.00 0.00 H new ATOM 0 HB3 ASN A 19 6.874 5.688 10.695 1.00 0.00 H new ATOM 0 HD21 ASN A 19 7.562 6.988 13.924 1.00 0.00 H new ATOM 0 HD22 ASN A 19 6.456 6.060 12.907 1.00 0.00 H new ATOM 298 N THR A 20 9.997 4.872 8.762 1.00 0.00 N ATOM 299 CA THR A 20 10.819 3.682 8.843 1.00 0.00 C ATOM 300 C THR A 20 12.263 4.028 9.204 1.00 0.00 C ATOM 301 O THR A 20 12.959 4.702 8.439 1.00 0.00 O ATOM 302 CB THR A 20 10.784 2.930 7.504 1.00 0.00 C ATOM 303 OG1 THR A 20 9.427 2.603 7.189 1.00 0.00 O ATOM 304 CG2 THR A 20 11.629 1.664 7.555 1.00 0.00 C ATOM 0 H THR A 20 9.967 5.296 7.835 1.00 0.00 H new ATOM 0 HA THR A 20 10.415 3.046 9.631 1.00 0.00 H new ATOM 0 HB THR A 20 11.203 3.574 6.731 1.00 0.00 H new ATOM 0 HG1 THR A 20 8.937 3.421 6.965 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.582 1.156 6.592 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.663 1.926 7.777 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.247 1.003 8.333 1.00 0.00 H new ATOM 312 N PRO A 21 12.722 3.588 10.385 1.00 0.00 N ATOM 313 CA PRO A 21 14.102 3.788 10.821 1.00 0.00 C ATOM 314 C PRO A 21 15.071 2.909 10.036 1.00 0.00 C ATOM 315 O PRO A 21 14.663 1.942 9.393 1.00 0.00 O ATOM 316 CB PRO A 21 14.089 3.375 12.302 1.00 0.00 C ATOM 317 CG PRO A 21 12.650 3.203 12.665 1.00 0.00 C ATOM 318 CD PRO A 21 11.936 2.866 11.391 1.00 0.00 C ATOM 0 HA PRO A 21 14.434 4.814 10.664 1.00 0.00 H new ATOM 0 HB2 PRO A 21 14.644 2.449 12.454 1.00 0.00 H new ATOM 0 HB3 PRO A 21 14.561 4.136 12.924 1.00 0.00 H new ATOM 0 HG2 PRO A 21 12.526 2.410 13.402 1.00 0.00 H new ATOM 0 HG3 PRO A 21 12.248 4.115 13.107 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.926 1.792 11.204 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.897 3.197 11.408 1.00 0.00 H new ATOM 326 N ALA A 22 16.354 3.233 10.104 1.00 0.00 N ATOM 327 CA ALA A 22 17.369 2.479 9.382 1.00 0.00 C ATOM 328 C ALA A 22 17.739 1.215 10.143 1.00 0.00 C ATOM 329 O ALA A 22 18.400 0.328 9.608 1.00 0.00 O ATOM 330 CB ALA A 22 18.601 3.335 9.135 1.00 0.00 C ATOM 0 H ALA A 22 16.717 4.013 10.652 1.00 0.00 H new ATOM 0 HA ALA A 22 16.956 2.189 8.416 1.00 0.00 H new ATOM 0 HB1 ALA A 22 19.347 2.752 8.594 1.00 0.00 H new ATOM 0 HB2 ALA A 22 18.325 4.208 8.544 1.00 0.00 H new ATOM 0 HB3 ALA A 22 19.016 3.659 10.089 1.00 0.00 H new ATOM 336 N ASN A 23 17.318 1.148 11.403 1.00 0.00 N ATOM 337 CA ASN A 23 17.524 -0.046 12.218 1.00 0.00 C ATOM 338 C ASN A 23 16.694 -1.198 11.668 1.00 0.00 C ATOM 339 O ASN A 23 17.107 -2.359 11.712 1.00 0.00 O ATOM 340 CB ASN A 23 17.142 0.211 13.679 1.00 0.00 C ATOM 341 CG ASN A 23 18.002 1.272 14.340 1.00 0.00 C ATOM 342 OD1 ASN A 23 19.171 1.454 13.992 1.00 0.00 O ATOM 343 ND2 ASN A 23 17.430 1.973 15.306 1.00 0.00 N ATOM 0 H ASN A 23 16.832 1.906 11.882 1.00 0.00 H new ATOM 0 HA ASN A 23 18.582 -0.305 12.179 1.00 0.00 H new ATOM 0 HB2 ASN A 23 16.097 0.517 13.727 1.00 0.00 H new ATOM 0 HB3 ASN A 23 17.228 -0.720 14.240 1.00 0.00 H new ATOM 0 HD21 ASN A 23 17.959 2.696 15.794 1.00 0.00 H new ATOM 0 HD22 ASN A 23 16.460 1.790 15.563 1.00 0.00 H new ATOM 350 N SER A 24 15.522 -0.862 11.157 1.00 0.00 N ATOM 351 CA SER A 24 14.652 -1.832 10.524 1.00 0.00 C ATOM 352 C SER A 24 14.881 -1.818 9.019 1.00 0.00 C ATOM 353 O SER A 24 14.417 -0.920 8.318 1.00 0.00 O ATOM 354 CB SER A 24 13.194 -1.514 10.854 1.00 0.00 C ATOM 355 OG SER A 24 12.925 -0.135 10.661 1.00 0.00 O ATOM 0 H SER A 24 15.150 0.088 11.170 1.00 0.00 H new ATOM 0 HA SER A 24 14.880 -2.829 10.901 1.00 0.00 H new ATOM 0 HB2 SER A 24 12.535 -2.110 10.223 1.00 0.00 H new ATOM 0 HB3 SER A 24 12.981 -1.790 11.887 1.00 0.00 H new ATOM 0 HG SER A 24 13.430 0.192 9.887 1.00 0.00 H new ATOM 361 N MET A 25 15.606 -2.806 8.526 1.00 0.00 N ATOM 362 CA MET A 25 15.989 -2.827 7.126 1.00 0.00 C ATOM 363 C MET A 25 15.122 -3.805 6.350 1.00 0.00 C ATOM 364 O MET A 25 15.192 -5.017 6.555 1.00 0.00 O ATOM 365 CB MET A 25 17.470 -3.189 6.988 1.00 0.00 C ATOM 366 CG MET A 25 17.977 -3.148 5.556 1.00 0.00 C ATOM 367 SD MET A 25 19.759 -3.408 5.442 1.00 0.00 S ATOM 368 CE MET A 25 19.915 -5.036 6.175 1.00 0.00 C ATOM 0 H MET A 25 15.940 -3.601 9.071 1.00 0.00 H new ATOM 0 HA MET A 25 15.836 -1.832 6.708 1.00 0.00 H new ATOM 0 HB2 MET A 25 18.061 -2.502 7.593 1.00 0.00 H new ATOM 0 HB3 MET A 25 17.630 -4.188 7.392 1.00 0.00 H new ATOM 0 HG2 MET A 25 17.464 -3.912 4.971 1.00 0.00 H new ATOM 0 HG3 MET A 25 17.725 -2.184 5.113 1.00 0.00 H new ATOM 0 HE1 MET A 25 20.890 -5.455 5.926 1.00 0.00 H new ATOM 0 HE2 MET A 25 19.819 -4.958 7.258 1.00 0.00 H new ATOM 0 HE3 MET A 25 19.131 -5.686 5.787 1.00 0.00 H new ATOM 378 N ILE A 26 14.292 -3.267 5.473 1.00 0.00 N ATOM 379 CA ILE A 26 13.391 -4.079 4.672 1.00 0.00 C ATOM 380 C ILE A 26 14.157 -4.779 3.555 1.00 0.00 C ATOM 381 O ILE A 26 14.685 -4.128 2.653 1.00 0.00 O ATOM 382 CB ILE A 26 12.266 -3.227 4.045 1.00 0.00 C ATOM 383 CG1 ILE A 26 11.649 -2.295 5.089 1.00 0.00 C ATOM 384 CG2 ILE A 26 11.195 -4.126 3.440 1.00 0.00 C ATOM 385 CD1 ILE A 26 10.580 -1.379 4.530 1.00 0.00 C ATOM 0 H ILE A 26 14.223 -2.265 5.297 1.00 0.00 H new ATOM 0 HA ILE A 26 12.945 -4.817 5.338 1.00 0.00 H new ATOM 0 HB ILE A 26 12.699 -2.617 3.252 1.00 0.00 H new ATOM 0 HG12 ILE A 26 11.218 -2.896 5.890 1.00 0.00 H new ATOM 0 HG13 ILE A 26 12.438 -1.689 5.534 1.00 0.00 H new ATOM 0 HG21 ILE A 26 10.409 -3.511 3.002 1.00 0.00 H new ATOM 0 HG22 ILE A 26 11.640 -4.752 2.666 1.00 0.00 H new ATOM 0 HG23 ILE A 26 10.769 -4.759 4.218 1.00 0.00 H new ATOM 0 HD11 ILE A 26 10.188 -0.748 5.328 1.00 0.00 H new ATOM 0 HD12 ILE A 26 11.010 -0.752 3.749 1.00 0.00 H new ATOM 0 HD13 ILE A 26 9.771 -1.977 4.111 1.00 0.00 H new ATOM 397 N MET A 27 14.237 -6.101 3.626 1.00 0.00 N ATOM 398 CA MET A 27 14.878 -6.879 2.572 1.00 0.00 C ATOM 399 C MET A 27 13.826 -7.473 1.647 1.00 0.00 C ATOM 400 O MET A 27 14.117 -8.323 0.807 1.00 0.00 O ATOM 401 CB MET A 27 15.761 -7.982 3.163 1.00 0.00 C ATOM 402 CG MET A 27 16.979 -7.450 3.901 1.00 0.00 C ATOM 403 SD MET A 27 18.090 -8.760 4.457 1.00 0.00 S ATOM 404 CE MET A 27 18.571 -9.485 2.891 1.00 0.00 C ATOM 0 H MET A 27 13.868 -6.656 4.398 1.00 0.00 H new ATOM 0 HA MET A 27 15.518 -6.213 1.994 1.00 0.00 H new ATOM 0 HB2 MET A 27 15.166 -8.586 3.848 1.00 0.00 H new ATOM 0 HB3 MET A 27 16.091 -8.642 2.361 1.00 0.00 H new ATOM 0 HG2 MET A 27 17.525 -6.770 3.247 1.00 0.00 H new ATOM 0 HG3 MET A 27 16.651 -6.869 4.763 1.00 0.00 H new ATOM 0 HE1 MET A 27 19.636 -9.719 2.910 1.00 0.00 H new ATOM 0 HE2 MET A 27 18.002 -10.399 2.723 1.00 0.00 H new ATOM 0 HE3 MET A 27 18.369 -8.779 2.086 1.00 0.00 H new ATOM 414 N THR A 28 12.597 -7.012 1.814 1.00 0.00 N ATOM 415 CA THR A 28 11.494 -7.424 0.971 1.00 0.00 C ATOM 416 C THR A 28 11.138 -6.302 -0.001 1.00 0.00 C ATOM 417 O THR A 28 10.794 -5.200 0.423 1.00 0.00 O ATOM 418 CB THR A 28 10.255 -7.767 1.825 1.00 0.00 C ATOM 419 OG1 THR A 28 10.642 -8.599 2.929 1.00 0.00 O ATOM 420 CG2 THR A 28 9.199 -8.482 0.996 1.00 0.00 C ATOM 0 H THR A 28 12.339 -6.342 2.539 1.00 0.00 H new ATOM 0 HA THR A 28 11.799 -8.311 0.416 1.00 0.00 H new ATOM 0 HB THR A 28 9.829 -6.835 2.196 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.073 -9.397 2.953 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.338 -8.711 1.623 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.887 -7.840 0.172 1.00 0.00 H new ATOM 0 HG23 THR A 28 9.614 -9.408 0.598 1.00 0.00 H new ATOM 428 N LYS A 29 11.249 -6.575 -1.295 1.00 0.00 N ATOM 429 CA LYS A 29 10.915 -5.587 -2.316 1.00 0.00 C ATOM 430 C LYS A 29 9.450 -5.182 -2.202 1.00 0.00 C ATOM 431 O LYS A 29 8.573 -6.032 -2.030 1.00 0.00 O ATOM 432 CB LYS A 29 11.217 -6.137 -3.712 1.00 0.00 C ATOM 433 CG LYS A 29 12.700 -6.331 -3.978 1.00 0.00 C ATOM 434 CD LYS A 29 13.436 -5.002 -4.009 1.00 0.00 C ATOM 435 CE LYS A 29 14.928 -5.190 -4.226 1.00 0.00 C ATOM 436 NZ LYS A 29 15.627 -3.894 -4.439 1.00 0.00 N ATOM 0 H LYS A 29 11.567 -7.471 -1.663 1.00 0.00 H new ATOM 0 HA LYS A 29 11.530 -4.701 -2.158 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.706 -7.091 -3.836 1.00 0.00 H new ATOM 0 HB3 LYS A 29 10.808 -5.456 -4.459 1.00 0.00 H new ATOM 0 HG2 LYS A 29 13.129 -6.969 -3.205 1.00 0.00 H new ATOM 0 HG3 LYS A 29 12.836 -6.846 -4.929 1.00 0.00 H new ATOM 0 HD2 LYS A 29 13.028 -4.379 -4.805 1.00 0.00 H new ATOM 0 HD3 LYS A 29 13.269 -4.472 -3.072 1.00 0.00 H new ATOM 0 HE2 LYS A 29 15.359 -5.697 -3.363 1.00 0.00 H new ATOM 0 HE3 LYS A 29 15.090 -5.836 -5.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 16.642 -4.067 -4.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 15.234 -3.421 -5.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 15.494 -3.287 -3.605 1.00 0.00 H new ATOM 450 N LEU A 30 9.194 -3.887 -2.302 1.00 0.00 N ATOM 451 CA LEU A 30 7.869 -3.350 -2.039 1.00 0.00 C ATOM 452 C LEU A 30 6.955 -3.501 -3.253 1.00 0.00 C ATOM 453 O LEU A 30 7.269 -3.031 -4.348 1.00 0.00 O ATOM 454 CB LEU A 30 7.971 -1.883 -1.617 1.00 0.00 C ATOM 455 CG LEU A 30 8.763 -1.641 -0.327 1.00 0.00 C ATOM 456 CD1 LEU A 30 8.861 -0.154 -0.023 1.00 0.00 C ATOM 457 CD2 LEU A 30 8.121 -2.378 0.839 1.00 0.00 C ATOM 0 H LEU A 30 9.888 -3.187 -2.564 1.00 0.00 H new ATOM 0 HA LEU A 30 7.427 -3.922 -1.223 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.437 -1.318 -2.425 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.964 -1.485 -1.489 1.00 0.00 H new ATOM 0 HG LEU A 30 9.772 -2.028 -0.471 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.427 -0.007 0.897 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.366 0.353 -0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.860 0.259 0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.696 -2.195 1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.101 -2.020 0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.105 -3.447 0.629 1.00 0.00 H new ATOM 469 N PRO A 31 5.810 -4.178 -3.067 1.00 0.00 N ATOM 470 CA PRO A 31 4.845 -4.429 -4.137 1.00 0.00 C ATOM 471 C PRO A 31 3.889 -3.255 -4.361 1.00 0.00 C ATOM 472 O PRO A 31 4.127 -2.140 -3.892 1.00 0.00 O ATOM 473 CB PRO A 31 4.087 -5.647 -3.616 1.00 0.00 C ATOM 474 CG PRO A 31 4.095 -5.489 -2.134 1.00 0.00 C ATOM 475 CD PRO A 31 5.372 -4.764 -1.785 1.00 0.00 C ATOM 0 HA PRO A 31 5.327 -4.576 -5.104 1.00 0.00 H new ATOM 0 HB2 PRO A 31 3.070 -5.677 -4.006 1.00 0.00 H new ATOM 0 HB3 PRO A 31 4.572 -6.575 -3.918 1.00 0.00 H new ATOM 0 HG2 PRO A 31 3.225 -4.924 -1.800 1.00 0.00 H new ATOM 0 HG3 PRO A 31 4.053 -6.460 -1.641 1.00 0.00 H new ATOM 0 HD2 PRO A 31 5.202 -3.995 -1.032 1.00 0.00 H new ATOM 0 HD3 PRO A 31 6.121 -5.445 -1.381 1.00 0.00 H new ATOM 483 N SER A 32 2.807 -3.514 -5.081 1.00 0.00 N ATOM 484 CA SER A 32 1.822 -2.491 -5.373 1.00 0.00 C ATOM 485 C SER A 32 0.436 -2.956 -4.930 1.00 0.00 C ATOM 486 O SER A 32 0.116 -4.144 -5.006 1.00 0.00 O ATOM 487 CB SER A 32 1.833 -2.175 -6.873 1.00 0.00 C ATOM 488 OG SER A 32 1.053 -1.028 -7.169 1.00 0.00 O ATOM 0 H SER A 32 2.591 -4.430 -5.474 1.00 0.00 H new ATOM 0 HA SER A 32 2.071 -1.583 -4.823 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.859 -2.014 -7.204 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.449 -3.030 -7.429 1.00 0.00 H new ATOM 0 HG SER A 32 0.823 -0.565 -6.336 1.00 0.00 H new ATOM 494 N VAL A 33 -0.371 -2.019 -4.456 1.00 0.00 N ATOM 495 CA VAL A 33 -1.713 -2.325 -3.995 1.00 0.00 C ATOM 496 C VAL A 33 -2.736 -1.868 -5.037 1.00 0.00 C ATOM 497 O VAL A 33 -2.536 -0.852 -5.708 1.00 0.00 O ATOM 498 CB VAL A 33 -1.998 -1.654 -2.628 1.00 0.00 C ATOM 499 CG1 VAL A 33 -2.110 -0.143 -2.763 1.00 0.00 C ATOM 500 CG2 VAL A 33 -3.241 -2.233 -1.980 1.00 0.00 C ATOM 0 H VAL A 33 -0.116 -1.034 -4.381 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.795 -3.404 -3.862 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.150 -1.867 -1.978 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.310 0.296 -1.786 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.176 0.257 -3.156 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.925 0.102 -3.444 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.415 -1.742 -1.022 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.100 -2.072 -2.632 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.103 -3.302 -1.820 1.00 0.00 H new ATOM 510 N ARG A 34 -3.814 -2.624 -5.189 1.00 0.00 N ATOM 511 CA ARG A 34 -4.824 -2.309 -6.190 1.00 0.00 C ATOM 512 C ARG A 34 -6.156 -2.027 -5.509 1.00 0.00 C ATOM 513 O ARG A 34 -6.884 -2.949 -5.135 1.00 0.00 O ATOM 514 CB ARG A 34 -4.978 -3.463 -7.183 1.00 0.00 C ATOM 515 CG ARG A 34 -3.654 -4.057 -7.636 1.00 0.00 C ATOM 516 CD ARG A 34 -3.847 -5.126 -8.699 1.00 0.00 C ATOM 517 NE ARG A 34 -4.970 -6.013 -8.395 1.00 0.00 N ATOM 518 CZ ARG A 34 -4.873 -7.142 -7.693 1.00 0.00 C ATOM 519 NH1 ARG A 34 -3.712 -7.503 -7.153 1.00 0.00 N ATOM 520 NH2 ARG A 34 -5.948 -7.894 -7.511 1.00 0.00 N ATOM 0 H ARG A 34 -4.012 -3.457 -4.634 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.505 -1.422 -6.738 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.581 -4.247 -6.725 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.526 -3.109 -8.056 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.016 -3.265 -8.029 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.137 -4.487 -6.778 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.014 -4.649 -9.665 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.935 -5.716 -8.788 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.891 -5.749 -8.745 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.888 -6.914 -7.275 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.646 -8.368 -6.617 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.843 -7.608 -7.907 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.880 -8.759 -6.975 1.00 0.00 H new ATOM 534 N VAL A 35 -6.469 -0.754 -5.341 1.00 0.00 N ATOM 535 CA VAL A 35 -7.651 -0.364 -4.596 1.00 0.00 C ATOM 536 C VAL A 35 -8.814 -0.033 -5.526 1.00 0.00 C ATOM 537 O VAL A 35 -8.672 0.731 -6.483 1.00 0.00 O ATOM 538 CB VAL A 35 -7.365 0.833 -3.653 1.00 0.00 C ATOM 539 CG1 VAL A 35 -6.227 0.503 -2.701 1.00 0.00 C ATOM 540 CG2 VAL A 35 -7.051 2.101 -4.432 1.00 0.00 C ATOM 0 H VAL A 35 -5.922 0.024 -5.710 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.933 -1.220 -3.984 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.270 1.015 -3.073 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.041 1.355 -2.047 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.497 -0.365 -2.099 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.326 0.281 -3.274 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.856 2.917 -3.736 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.171 1.937 -5.054 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.900 2.359 -5.065 1.00 0.00 H new ATOM 550 N LYS A 36 -9.955 -0.641 -5.260 1.00 0.00 N ATOM 551 CA LYS A 36 -11.171 -0.326 -5.983 1.00 0.00 C ATOM 552 C LYS A 36 -11.755 0.939 -5.382 1.00 0.00 C ATOM 553 O LYS A 36 -11.970 1.004 -4.173 1.00 0.00 O ATOM 554 CB LYS A 36 -12.161 -1.489 -5.872 1.00 0.00 C ATOM 555 CG LYS A 36 -13.384 -1.365 -6.764 1.00 0.00 C ATOM 556 CD LYS A 36 -14.309 -2.556 -6.576 1.00 0.00 C ATOM 557 CE LYS A 36 -15.478 -2.527 -7.545 1.00 0.00 C ATOM 558 NZ LYS A 36 -16.361 -3.711 -7.371 1.00 0.00 N ATOM 0 H LYS A 36 -10.064 -1.360 -4.544 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.961 -0.169 -7.041 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.642 -2.416 -6.116 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.490 -1.572 -4.836 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -13.918 -0.443 -6.532 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -13.074 -1.300 -7.807 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -13.745 -3.478 -6.716 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -14.686 -2.564 -5.553 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -16.056 -1.616 -7.392 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -15.103 -2.499 -8.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -17.149 -3.659 -8.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -15.815 -4.579 -7.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -16.738 -3.723 -6.402 1.00 0.00 H new ATOM 572 N THR A 37 -11.977 1.951 -6.199 1.00 0.00 N ATOM 573 CA THR A 37 -12.397 3.240 -5.682 1.00 0.00 C ATOM 574 C THR A 37 -13.673 3.744 -6.342 1.00 0.00 C ATOM 575 O THR A 37 -13.857 3.603 -7.550 1.00 0.00 O ATOM 576 CB THR A 37 -11.280 4.289 -5.859 1.00 0.00 C ATOM 577 OG1 THR A 37 -10.723 4.205 -7.180 1.00 0.00 O ATOM 578 CG2 THR A 37 -10.180 4.093 -4.825 1.00 0.00 C ATOM 0 H THR A 37 -11.875 1.908 -7.213 1.00 0.00 H new ATOM 0 HA THR A 37 -12.603 3.096 -4.621 1.00 0.00 H new ATOM 0 HB THR A 37 -11.720 5.276 -5.716 1.00 0.00 H new ATOM 0 HG1 THR A 37 -11.172 3.491 -7.679 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.405 4.845 -4.971 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.599 4.194 -3.824 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.747 3.099 -4.938 1.00 0.00 H new ATOM 586 N GLU A 38 -14.555 4.317 -5.535 1.00 0.00 N ATOM 587 CA GLU A 38 -15.736 4.989 -6.049 1.00 0.00 C ATOM 588 C GLU A 38 -15.440 6.470 -6.207 1.00 0.00 C ATOM 589 O GLU A 38 -15.613 7.262 -5.276 1.00 0.00 O ATOM 590 CB GLU A 38 -16.946 4.793 -5.136 1.00 0.00 C ATOM 591 CG GLU A 38 -17.495 3.379 -5.128 1.00 0.00 C ATOM 592 CD GLU A 38 -18.828 3.289 -4.418 1.00 0.00 C ATOM 593 OE1 GLU A 38 -19.817 3.848 -4.940 1.00 0.00 O ATOM 594 OE2 GLU A 38 -18.898 2.673 -3.336 1.00 0.00 O ATOM 0 H GLU A 38 -14.473 4.329 -4.518 1.00 0.00 H new ATOM 0 HA GLU A 38 -15.983 4.550 -7.016 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -16.668 5.069 -4.119 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -17.736 5.476 -5.447 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -17.607 3.028 -6.154 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -16.780 2.716 -4.641 1.00 0.00 H new ATOM 601 N GLY A 39 -14.950 6.822 -7.373 1.00 0.00 N ATOM 602 CA GLY A 39 -14.582 8.187 -7.652 1.00 0.00 C ATOM 603 C GLY A 39 -13.661 8.255 -8.841 1.00 0.00 C ATOM 604 O GLY A 39 -12.739 7.450 -8.962 1.00 0.00 O ATOM 0 H GLY A 39 -14.797 6.176 -8.147 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -15.477 8.779 -7.844 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -14.093 8.623 -6.781 1.00 0.00 H new ATOM 608 N TYR A 40 -13.901 9.203 -9.722 1.00 0.00 N ATOM 609 CA TYR A 40 -13.135 9.284 -10.951 1.00 0.00 C ATOM 610 C TYR A 40 -12.125 10.415 -10.863 1.00 0.00 C ATOM 611 O TYR A 40 -12.445 11.510 -10.400 1.00 0.00 O ATOM 612 CB TYR A 40 -14.061 9.481 -12.153 1.00 0.00 C ATOM 613 CG TYR A 40 -13.435 9.055 -13.462 1.00 0.00 C ATOM 614 CD1 TYR A 40 -13.445 7.721 -13.845 1.00 0.00 C ATOM 615 CD2 TYR A 40 -12.830 9.977 -14.308 1.00 0.00 C ATOM 616 CE1 TYR A 40 -12.871 7.314 -15.031 1.00 0.00 C ATOM 617 CE2 TYR A 40 -12.255 9.577 -15.500 1.00 0.00 C ATOM 618 CZ TYR A 40 -12.278 8.243 -15.855 1.00 0.00 C ATOM 619 OH TYR A 40 -11.704 7.836 -17.039 1.00 0.00 O ATOM 0 H TYR A 40 -14.614 9.924 -9.613 1.00 0.00 H new ATOM 0 HA TYR A 40 -12.597 8.346 -11.088 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -14.978 8.913 -11.994 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -14.344 10.532 -12.218 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -13.911 6.988 -13.203 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -12.809 11.020 -14.030 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -12.887 6.271 -15.312 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -11.790 10.304 -16.150 1.00 0.00 H new ATOM 0 HH TYR A 40 -11.330 8.613 -17.505 1.00 0.00 H new ATOM 629 N ASN A 41 -10.906 10.146 -11.301 1.00 0.00 N ATOM 630 CA ASN A 41 -9.838 11.127 -11.211 1.00 0.00 C ATOM 631 C ASN A 41 -9.045 11.199 -12.513 1.00 0.00 C ATOM 632 O ASN A 41 -8.249 10.320 -12.824 1.00 0.00 O ATOM 633 CB ASN A 41 -8.916 10.817 -10.018 1.00 0.00 C ATOM 634 CG ASN A 41 -8.327 9.411 -10.040 1.00 0.00 C ATOM 635 OD1 ASN A 41 -9.042 8.454 -9.462 1.00 0.00 O flip ATOM 636 ND2 ASN A 41 -7.240 9.186 -10.566 1.00 0.00 N flip ATOM 0 H ASN A 41 -10.632 9.258 -11.722 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.290 12.105 -11.046 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.101 11.541 -10.003 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -9.478 10.950 -9.093 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.717 9.946 -11.001 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.860 8.239 -10.567 1.00 0.00 H new ATOM 643 N PRO A 42 -9.300 12.233 -13.325 1.00 0.00 N ATOM 644 CA PRO A 42 -8.531 12.480 -14.537 1.00 0.00 C ATOM 645 C PRO A 42 -7.300 13.339 -14.259 1.00 0.00 C ATOM 646 O PRO A 42 -6.433 13.505 -15.117 1.00 0.00 O ATOM 647 CB PRO A 42 -9.529 13.229 -15.416 1.00 0.00 C ATOM 648 CG PRO A 42 -10.400 13.980 -14.460 1.00 0.00 C ATOM 649 CD PRO A 42 -10.381 13.221 -13.152 1.00 0.00 C ATOM 0 HA PRO A 42 -8.143 11.567 -14.990 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.020 13.906 -16.102 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -10.114 12.539 -16.025 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.032 14.997 -14.321 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.417 14.059 -14.845 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.184 13.884 -12.309 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -11.338 12.736 -12.959 1.00 0.00 H new ATOM 657 N SER A 43 -7.238 13.884 -13.052 1.00 0.00 N ATOM 658 CA SER A 43 -6.155 14.767 -12.658 1.00 0.00 C ATOM 659 C SER A 43 -5.286 14.137 -11.570 1.00 0.00 C ATOM 660 O SER A 43 -4.058 14.187 -11.645 1.00 0.00 O ATOM 661 CB SER A 43 -6.740 16.095 -12.182 1.00 0.00 C ATOM 662 OG SER A 43 -7.878 15.874 -11.362 1.00 0.00 O ATOM 0 H SER A 43 -7.934 13.726 -12.323 1.00 0.00 H new ATOM 0 HA SER A 43 -5.512 14.940 -13.521 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.986 16.652 -11.625 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.017 16.705 -13.041 1.00 0.00 H new ATOM 0 HG SER A 43 -8.239 16.735 -11.064 1.00 0.00 H new ATOM 668 N ILE A 44 -5.927 13.546 -10.562 1.00 0.00 N ATOM 669 CA ILE A 44 -5.210 12.909 -9.460 1.00 0.00 C ATOM 670 C ILE A 44 -4.276 11.819 -9.983 1.00 0.00 C ATOM 671 O ILE A 44 -4.642 11.040 -10.865 1.00 0.00 O ATOM 672 CB ILE A 44 -6.181 12.303 -8.419 1.00 0.00 C ATOM 673 CG1 ILE A 44 -7.131 13.381 -7.886 1.00 0.00 C ATOM 674 CG2 ILE A 44 -5.407 11.664 -7.273 1.00 0.00 C ATOM 675 CD1 ILE A 44 -8.125 12.871 -6.861 1.00 0.00 C ATOM 0 H ILE A 44 -6.943 13.496 -10.487 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.622 13.685 -8.969 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.772 11.529 -8.908 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.542 14.182 -7.439 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.678 13.816 -8.723 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.107 11.243 -6.551 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.768 10.872 -7.663 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.792 12.419 -6.784 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -8.762 13.692 -6.532 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -8.741 12.091 -7.308 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.588 12.463 -6.005 1.00 0.00 H new ATOM 687 N ASN A 45 -3.064 11.781 -9.451 1.00 0.00 N ATOM 688 CA ASN A 45 -2.058 10.833 -9.910 1.00 0.00 C ATOM 689 C ASN A 45 -1.940 9.660 -8.946 1.00 0.00 C ATOM 690 O ASN A 45 -2.106 9.821 -7.738 1.00 0.00 O ATOM 691 CB ASN A 45 -0.696 11.525 -10.040 1.00 0.00 C ATOM 692 CG ASN A 45 -0.704 12.688 -11.014 1.00 0.00 C ATOM 693 OD1 ASN A 45 -1.498 12.586 -12.065 1.00 0.00 O flip ATOM 694 ND2 ASN A 45 0.012 13.672 -10.824 1.00 0.00 N flip ATOM 0 H ASN A 45 -2.752 12.396 -8.700 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.369 10.458 -10.885 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.383 11.884 -9.059 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.045 10.794 -10.363 1.00 0.00 H new ATOM 0 HD21 ASN A 45 0.612 13.715 -10.000 1.00 0.00 H new ATOM 0 HD22 ASN A 45 0.005 14.444 -11.490 1.00 0.00 H new ATOM 701 N VAL A 46 -1.633 8.485 -9.480 1.00 0.00 N ATOM 702 CA VAL A 46 -1.397 7.307 -8.652 1.00 0.00 C ATOM 703 C VAL A 46 0.025 7.335 -8.095 1.00 0.00 C ATOM 704 O VAL A 46 0.418 6.480 -7.308 1.00 0.00 O ATOM 705 CB VAL A 46 -1.630 5.992 -9.427 1.00 0.00 C ATOM 706 CG1 VAL A 46 -3.094 5.854 -9.820 1.00 0.00 C ATOM 707 CG2 VAL A 46 -0.742 5.923 -10.658 1.00 0.00 C ATOM 0 H VAL A 46 -1.541 8.321 -10.483 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.116 7.337 -7.833 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.367 5.163 -8.770 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.238 4.921 -10.365 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.713 5.849 -8.923 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.381 6.693 -10.454 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.925 4.987 -11.187 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.967 6.762 -11.317 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.304 5.970 -10.355 1.00 0.00 H new ATOM 717 N ASN A 47 0.793 8.315 -8.547 1.00 0.00 N ATOM 718 CA ASN A 47 2.093 8.614 -7.959 1.00 0.00 C ATOM 719 C ASN A 47 1.919 9.687 -6.889 1.00 0.00 C ATOM 720 O ASN A 47 2.760 9.862 -6.010 1.00 0.00 O ATOM 721 CB ASN A 47 3.066 9.085 -9.046 1.00 0.00 C ATOM 722 CG ASN A 47 4.442 9.427 -8.506 1.00 0.00 C ATOM 723 OD1 ASN A 47 4.715 10.572 -8.148 1.00 0.00 O ATOM 724 ND2 ASN A 47 5.319 8.439 -8.451 1.00 0.00 N ATOM 0 H ASN A 47 0.537 8.922 -9.326 1.00 0.00 H new ATOM 0 HA ASN A 47 2.507 7.716 -7.501 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.162 8.305 -9.802 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.649 9.961 -9.543 1.00 0.00 H new ATOM 0 HD21 ASN A 47 6.262 8.613 -8.102 1.00 0.00 H new ATOM 0 HD22 ASN A 47 5.053 7.503 -8.758 1.00 0.00 H new ATOM 731 N GLU A 48 0.803 10.394 -6.973 1.00 0.00 N ATOM 732 CA GLU A 48 0.457 11.418 -6.001 1.00 0.00 C ATOM 733 C GLU A 48 -0.142 10.756 -4.767 1.00 0.00 C ATOM 734 O GLU A 48 0.023 11.224 -3.640 1.00 0.00 O ATOM 735 CB GLU A 48 -0.526 12.406 -6.634 1.00 0.00 C ATOM 736 CG GLU A 48 -1.013 13.499 -5.703 1.00 0.00 C ATOM 737 CD GLU A 48 -1.885 14.514 -6.414 1.00 0.00 C ATOM 738 OE1 GLU A 48 -2.355 14.225 -7.539 1.00 0.00 O ATOM 739 OE2 GLU A 48 -2.099 15.610 -5.853 1.00 0.00 O ATOM 0 H GLU A 48 0.113 10.274 -7.715 1.00 0.00 H new ATOM 0 HA GLU A 48 1.347 11.969 -5.697 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.049 12.869 -7.498 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.389 11.852 -7.005 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.575 13.051 -4.883 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.155 14.006 -5.262 1.00 0.00 H new ATOM 746 N LEU A 49 -0.836 9.654 -5.001 1.00 0.00 N ATOM 747 CA LEU A 49 -1.370 8.834 -3.927 1.00 0.00 C ATOM 748 C LEU A 49 -0.386 7.716 -3.613 1.00 0.00 C ATOM 749 O LEU A 49 0.193 7.127 -4.521 1.00 0.00 O ATOM 750 CB LEU A 49 -2.709 8.226 -4.345 1.00 0.00 C ATOM 751 CG LEU A 49 -3.733 9.211 -4.902 1.00 0.00 C ATOM 752 CD1 LEU A 49 -4.920 8.458 -5.477 1.00 0.00 C ATOM 753 CD2 LEU A 49 -4.182 10.183 -3.822 1.00 0.00 C ATOM 0 H LEU A 49 -1.044 9.304 -5.936 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.521 9.456 -3.044 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.521 7.460 -5.097 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.146 7.724 -3.481 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.267 9.787 -5.701 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.645 9.169 -5.872 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.581 7.802 -6.279 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.387 7.861 -4.693 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.912 10.877 -4.238 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.635 9.629 -3.000 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.321 10.740 -3.453 1.00 0.00 H new ATOM 765 N PHE A 50 -0.185 7.428 -2.341 1.00 0.00 N ATOM 766 CA PHE A 50 0.709 6.351 -1.953 1.00 0.00 C ATOM 767 C PHE A 50 0.082 5.459 -0.897 1.00 0.00 C ATOM 768 O PHE A 50 -0.783 5.885 -0.127 1.00 0.00 O ATOM 769 CB PHE A 50 2.043 6.893 -1.431 1.00 0.00 C ATOM 770 CG PHE A 50 3.008 7.296 -2.509 1.00 0.00 C ATOM 771 CD1 PHE A 50 3.431 6.375 -3.453 1.00 0.00 C ATOM 772 CD2 PHE A 50 3.500 8.588 -2.570 1.00 0.00 C ATOM 773 CE1 PHE A 50 4.324 6.737 -4.442 1.00 0.00 C ATOM 774 CE2 PHE A 50 4.395 8.956 -3.554 1.00 0.00 C ATOM 775 CZ PHE A 50 4.809 8.029 -4.492 1.00 0.00 C ATOM 0 H PHE A 50 -0.625 7.920 -1.563 1.00 0.00 H new ATOM 0 HA PHE A 50 0.893 5.759 -2.850 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.847 7.755 -0.793 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.511 6.133 -0.805 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.058 5.362 -3.415 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.180 9.316 -1.840 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.643 6.011 -5.175 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.772 9.968 -3.591 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.510 8.314 -5.262 1.00 0.00 H new ATOM 785 N ALA A 51 0.514 4.212 -0.888 1.00 0.00 N ATOM 786 CA ALA A 51 0.165 3.284 0.165 1.00 0.00 C ATOM 787 C ALA A 51 1.408 2.993 0.981 1.00 0.00 C ATOM 788 O ALA A 51 2.432 2.603 0.429 1.00 0.00 O ATOM 789 CB ALA A 51 -0.405 2.005 -0.419 1.00 0.00 C ATOM 0 H ALA A 51 1.116 3.817 -1.610 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.600 3.723 0.806 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.662 1.319 0.388 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.300 2.236 -0.997 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.336 1.540 -1.069 1.00 0.00 H new ATOM 795 N TYR A 52 1.338 3.200 2.278 1.00 0.00 N ATOM 796 CA TYR A 52 2.514 3.056 3.115 1.00 0.00 C ATOM 797 C TYR A 52 2.308 2.014 4.198 1.00 0.00 C ATOM 798 O TYR A 52 1.178 1.670 4.549 1.00 0.00 O ATOM 799 CB TYR A 52 2.899 4.399 3.748 1.00 0.00 C ATOM 800 CG TYR A 52 1.796 5.054 4.556 1.00 0.00 C ATOM 801 CD1 TYR A 52 0.894 5.924 3.959 1.00 0.00 C ATOM 802 CD2 TYR A 52 1.665 4.807 5.917 1.00 0.00 C ATOM 803 CE1 TYR A 52 -0.107 6.530 4.694 1.00 0.00 C ATOM 804 CE2 TYR A 52 0.666 5.408 6.658 1.00 0.00 C ATOM 805 CZ TYR A 52 -0.217 6.268 6.041 1.00 0.00 C ATOM 806 OH TYR A 52 -1.212 6.869 6.777 1.00 0.00 O ATOM 0 H TYR A 52 0.488 3.466 2.775 1.00 0.00 H new ATOM 0 HA TYR A 52 3.327 2.719 2.472 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.764 4.247 4.394 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.208 5.083 2.958 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.976 6.131 2.902 1.00 0.00 H new ATOM 0 HD2 TYR A 52 2.356 4.134 6.404 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.800 7.206 4.214 1.00 0.00 H new ATOM 0 HE2 TYR A 52 0.577 5.205 7.715 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.151 6.577 7.710 1.00 0.00 H new ATOM 816 N VAL A 53 3.413 1.517 4.718 1.00 0.00 N ATOM 817 CA VAL A 53 3.388 0.652 5.876 1.00 0.00 C ATOM 818 C VAL A 53 4.030 1.374 7.048 1.00 0.00 C ATOM 819 O VAL A 53 5.162 1.860 6.956 1.00 0.00 O ATOM 820 CB VAL A 53 4.109 -0.696 5.628 1.00 0.00 C ATOM 821 CG1 VAL A 53 3.286 -1.577 4.703 1.00 0.00 C ATOM 822 CG2 VAL A 53 5.501 -0.479 5.050 1.00 0.00 C ATOM 0 H VAL A 53 4.347 1.701 4.351 1.00 0.00 H new ATOM 0 HA VAL A 53 2.346 0.418 6.094 1.00 0.00 H new ATOM 0 HB VAL A 53 4.217 -1.199 6.589 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.807 -2.520 4.540 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.315 -1.773 5.157 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.145 -1.070 3.748 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.982 -1.444 4.887 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.422 0.052 4.101 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.097 0.110 5.747 1.00 0.00 H new ATOM 832 N ASP A 54 3.281 1.492 8.128 1.00 0.00 N ATOM 833 CA ASP A 54 3.760 2.186 9.309 1.00 0.00 C ATOM 834 C ASP A 54 4.710 1.302 10.094 1.00 0.00 C ATOM 835 O ASP A 54 4.303 0.298 10.682 1.00 0.00 O ATOM 836 CB ASP A 54 2.592 2.617 10.195 1.00 0.00 C ATOM 837 CG ASP A 54 3.061 3.245 11.489 1.00 0.00 C ATOM 838 OD1 ASP A 54 3.597 4.368 11.449 1.00 0.00 O ATOM 839 OD2 ASP A 54 2.903 2.616 12.553 1.00 0.00 O ATOM 0 H ASP A 54 2.337 1.116 8.212 1.00 0.00 H new ATOM 0 HA ASP A 54 4.296 3.078 8.984 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.969 3.328 9.652 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.968 1.752 10.418 1.00 0.00 H new ATOM 844 N LEU A 55 5.979 1.668 10.091 1.00 0.00 N ATOM 845 CA LEU A 55 6.992 0.896 10.789 1.00 0.00 C ATOM 846 C LEU A 55 7.445 1.618 12.048 1.00 0.00 C ATOM 847 O LEU A 55 8.583 1.462 12.493 1.00 0.00 O ATOM 848 CB LEU A 55 8.178 0.611 9.863 1.00 0.00 C ATOM 849 CG LEU A 55 7.838 -0.231 8.629 1.00 0.00 C ATOM 850 CD1 LEU A 55 9.094 -0.592 7.860 1.00 0.00 C ATOM 851 CD2 LEU A 55 7.090 -1.491 9.029 1.00 0.00 C ATOM 0 H LEU A 55 6.333 2.496 9.612 1.00 0.00 H new ATOM 0 HA LEU A 55 6.556 -0.057 11.088 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.601 1.560 9.533 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.952 0.098 10.434 1.00 0.00 H new ATOM 0 HG LEU A 55 7.195 0.366 7.982 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.828 -1.190 6.988 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.596 0.319 7.535 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.762 -1.165 8.503 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.858 -2.075 8.138 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.710 -2.085 9.700 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.164 -1.219 9.536 1.00 0.00 H new ATOM 863 N SER A 56 6.537 2.402 12.625 1.00 0.00 N ATOM 864 CA SER A 56 6.788 3.057 13.900 1.00 0.00 C ATOM 865 C SER A 56 7.112 2.014 14.959 1.00 0.00 C ATOM 866 O SER A 56 8.046 2.174 15.750 1.00 0.00 O ATOM 867 CB SER A 56 5.570 3.881 14.320 1.00 0.00 C ATOM 868 OG SER A 56 5.266 4.873 13.351 1.00 0.00 O ATOM 0 H SER A 56 5.619 2.598 12.226 1.00 0.00 H new ATOM 0 HA SER A 56 7.639 3.729 13.793 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.711 3.224 14.454 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.762 4.355 15.283 1.00 0.00 H new ATOM 0 HG SER A 56 4.395 4.679 12.947 1.00 0.00 H new ATOM 874 N GLY A 57 6.338 0.940 14.956 1.00 0.00 N ATOM 875 CA GLY A 57 6.622 -0.188 15.809 1.00 0.00 C ATOM 876 C GLY A 57 7.505 -1.182 15.097 1.00 0.00 C ATOM 877 O GLY A 57 7.017 -2.138 14.494 1.00 0.00 O ATOM 0 H GLY A 57 5.510 0.832 14.370 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.111 0.153 16.721 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.690 -0.669 16.107 1.00 0.00 H new ATOM 881 N SER A 58 8.804 -0.941 15.153 1.00 0.00 N ATOM 882 CA SER A 58 9.773 -1.729 14.412 1.00 0.00 C ATOM 883 C SER A 58 9.926 -3.136 14.987 1.00 0.00 C ATOM 884 O SER A 58 10.723 -3.367 15.895 1.00 0.00 O ATOM 885 CB SER A 58 11.113 -0.998 14.408 1.00 0.00 C ATOM 886 OG SER A 58 11.376 -0.424 15.682 1.00 0.00 O ATOM 0 H SER A 58 9.216 -0.194 15.713 1.00 0.00 H new ATOM 0 HA SER A 58 9.414 -1.845 13.390 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.911 -1.692 14.145 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.105 -0.218 13.647 1.00 0.00 H new ATOM 0 HG SER A 58 11.288 -1.111 16.375 1.00 0.00 H new ATOM 892 N GLU A 59 9.136 -4.066 14.473 1.00 0.00 N ATOM 893 CA GLU A 59 9.249 -5.460 14.865 1.00 0.00 C ATOM 894 C GLU A 59 10.005 -6.242 13.798 1.00 0.00 C ATOM 895 O GLU A 59 9.490 -6.469 12.701 1.00 0.00 O ATOM 896 CB GLU A 59 7.865 -6.069 15.092 1.00 0.00 C ATOM 897 CG GLU A 59 7.076 -5.369 16.185 1.00 0.00 C ATOM 898 CD GLU A 59 5.714 -5.984 16.407 1.00 0.00 C ATOM 899 OE1 GLU A 59 4.760 -5.589 15.707 1.00 0.00 O ATOM 900 OE2 GLU A 59 5.589 -6.859 17.287 1.00 0.00 O ATOM 0 H GLU A 59 8.409 -3.879 13.782 1.00 0.00 H new ATOM 0 HA GLU A 59 9.804 -5.515 15.802 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.300 -6.027 14.161 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.976 -7.122 15.351 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.642 -5.405 17.116 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.957 -4.317 15.925 1.00 0.00 H new ATOM 907 N PRO A 60 11.253 -6.630 14.097 1.00 0.00 N ATOM 908 CA PRO A 60 12.094 -7.385 13.169 1.00 0.00 C ATOM 909 C PRO A 60 11.576 -8.801 12.940 1.00 0.00 C ATOM 910 O PRO A 60 10.928 -9.388 13.806 1.00 0.00 O ATOM 911 CB PRO A 60 13.467 -7.422 13.858 1.00 0.00 C ATOM 912 CG PRO A 60 13.389 -6.403 14.944 1.00 0.00 C ATOM 913 CD PRO A 60 11.950 -6.356 15.358 1.00 0.00 C ATOM 0 HA PRO A 60 12.116 -6.923 12.182 1.00 0.00 H new ATOM 0 HB2 PRO A 60 13.678 -8.412 14.262 1.00 0.00 H new ATOM 0 HB3 PRO A 60 14.266 -7.188 13.155 1.00 0.00 H new ATOM 0 HG2 PRO A 60 14.028 -6.676 15.783 1.00 0.00 H new ATOM 0 HG3 PRO A 60 13.726 -5.429 14.591 1.00 0.00 H new ATOM 0 HD2 PRO A 60 11.721 -7.102 16.119 1.00 0.00 H new ATOM 0 HD3 PRO A 60 11.677 -5.385 15.771 1.00 0.00 H new ATOM 921 N GLY A 61 11.876 -9.336 11.771 1.00 0.00 N ATOM 922 CA GLY A 61 11.412 -10.653 11.407 1.00 0.00 C ATOM 923 C GLY A 61 10.365 -10.583 10.319 1.00 0.00 C ATOM 924 O GLY A 61 10.030 -9.495 9.845 1.00 0.00 O ATOM 0 H GLY A 61 12.441 -8.874 11.059 1.00 0.00 H new ATOM 0 HA2 GLY A 61 12.253 -11.257 11.067 1.00 0.00 H new ATOM 0 HA3 GLY A 61 10.997 -11.150 12.284 1.00 0.00 H new ATOM 928 N GLU A 62 9.854 -11.732 9.910 1.00 0.00 N ATOM 929 CA GLU A 62 8.791 -11.772 8.924 1.00 0.00 C ATOM 930 C GLU A 62 7.470 -11.479 9.620 1.00 0.00 C ATOM 931 O GLU A 62 6.929 -12.333 10.325 1.00 0.00 O ATOM 932 CB GLU A 62 8.744 -13.134 8.226 1.00 0.00 C ATOM 933 CG GLU A 62 7.879 -13.142 6.977 1.00 0.00 C ATOM 934 CD GLU A 62 7.773 -14.509 6.334 1.00 0.00 C ATOM 935 OE1 GLU A 62 8.814 -15.069 5.928 1.00 0.00 O ATOM 936 OE2 GLU A 62 6.647 -15.034 6.227 1.00 0.00 O ATOM 0 H GLU A 62 10.158 -12.646 10.245 1.00 0.00 H new ATOM 0 HA GLU A 62 8.978 -11.019 8.158 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.758 -13.432 7.959 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.366 -13.880 8.926 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.880 -12.789 7.233 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.290 -12.438 6.253 1.00 0.00 H new ATOM 943 N HIS A 63 6.977 -10.263 9.455 1.00 0.00 N ATOM 944 CA HIS A 63 5.805 -9.808 10.188 1.00 0.00 C ATOM 945 C HIS A 63 4.774 -9.217 9.236 1.00 0.00 C ATOM 946 O HIS A 63 5.123 -8.566 8.252 1.00 0.00 O ATOM 947 CB HIS A 63 6.234 -8.775 11.239 1.00 0.00 C ATOM 948 CG HIS A 63 5.165 -8.400 12.221 1.00 0.00 C ATOM 949 ND1 HIS A 63 4.906 -9.122 13.366 1.00 0.00 N ATOM 950 CD2 HIS A 63 4.308 -7.353 12.241 1.00 0.00 C ATOM 951 CE1 HIS A 63 3.942 -8.533 14.046 1.00 0.00 C ATOM 952 NE2 HIS A 63 3.557 -7.461 13.383 1.00 0.00 N ATOM 0 H HIS A 63 7.371 -9.570 8.818 1.00 0.00 H new ATOM 0 HA HIS A 63 5.343 -10.657 10.692 1.00 0.00 H new ATOM 0 HB2 HIS A 63 7.090 -9.168 11.787 1.00 0.00 H new ATOM 0 HB3 HIS A 63 6.570 -7.874 10.727 1.00 0.00 H new ATOM 0 HD2 HIS A 63 4.230 -6.576 11.495 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.536 -8.872 14.988 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.821 -6.817 13.672 1.00 0.00 H new ATOM 961 N ASP A 64 3.502 -9.449 9.528 1.00 0.00 N ATOM 962 CA ASP A 64 2.425 -8.936 8.693 1.00 0.00 C ATOM 963 C ASP A 64 2.136 -7.482 9.041 1.00 0.00 C ATOM 964 O ASP A 64 1.887 -7.149 10.199 1.00 0.00 O ATOM 965 CB ASP A 64 1.150 -9.767 8.867 1.00 0.00 C ATOM 966 CG ASP A 64 1.314 -11.212 8.436 1.00 0.00 C ATOM 967 OD1 ASP A 64 1.318 -11.482 7.216 1.00 0.00 O ATOM 968 OD2 ASP A 64 1.429 -12.086 9.324 1.00 0.00 O ATOM 0 H ASP A 64 3.191 -9.988 10.336 1.00 0.00 H new ATOM 0 HA ASP A 64 2.746 -9.004 7.653 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.846 -9.739 9.913 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.346 -9.312 8.289 1.00 0.00 H new ATOM 973 N TYR A 65 2.187 -6.619 8.039 1.00 0.00 N ATOM 974 CA TYR A 65 1.897 -5.207 8.230 1.00 0.00 C ATOM 975 C TYR A 65 0.735 -4.779 7.348 1.00 0.00 C ATOM 976 O TYR A 65 0.508 -5.352 6.281 1.00 0.00 O ATOM 977 CB TYR A 65 3.130 -4.346 7.943 1.00 0.00 C ATOM 978 CG TYR A 65 4.199 -4.449 9.010 1.00 0.00 C ATOM 979 CD1 TYR A 65 4.110 -3.697 10.175 1.00 0.00 C ATOM 980 CD2 TYR A 65 5.288 -5.296 8.856 1.00 0.00 C ATOM 981 CE1 TYR A 65 5.079 -3.787 11.159 1.00 0.00 C ATOM 982 CE2 TYR A 65 6.260 -5.394 9.836 1.00 0.00 C ATOM 983 CZ TYR A 65 6.149 -4.638 10.984 1.00 0.00 C ATOM 984 OH TYR A 65 7.109 -4.733 11.965 1.00 0.00 O ATOM 0 H TYR A 65 2.428 -6.873 7.081 1.00 0.00 H new ATOM 0 HA TYR A 65 1.618 -5.059 9.273 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.555 -4.642 6.984 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.822 -3.305 7.847 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.271 -3.031 10.315 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.378 -5.888 7.957 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.997 -3.194 12.058 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.101 -6.059 9.703 1.00 0.00 H new ATOM 0 HH TYR A 65 7.697 -5.493 11.774 1.00 0.00 H new ATOM 994 N GLU A 66 0.000 -3.779 7.801 1.00 0.00 N ATOM 995 CA GLU A 66 -1.169 -3.300 7.082 1.00 0.00 C ATOM 996 C GLU A 66 -0.780 -2.285 6.017 1.00 0.00 C ATOM 997 O GLU A 66 0.016 -1.379 6.273 1.00 0.00 O ATOM 998 CB GLU A 66 -2.168 -2.672 8.057 1.00 0.00 C ATOM 999 CG GLU A 66 -3.373 -2.046 7.376 1.00 0.00 C ATOM 1000 CD GLU A 66 -4.339 -1.441 8.367 1.00 0.00 C ATOM 1001 OE1 GLU A 66 -5.231 -2.172 8.844 1.00 0.00 O ATOM 1002 OE2 GLU A 66 -4.200 -0.241 8.685 1.00 0.00 O ATOM 0 H GLU A 66 0.193 -3.280 8.669 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.634 -4.154 6.589 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.512 -3.436 8.754 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.658 -1.910 8.646 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.036 -1.275 6.683 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.888 -2.803 6.785 1.00 0.00 H new ATOM 1009 N VAL A 67 -1.344 -2.446 4.829 1.00 0.00 N ATOM 1010 CA VAL A 67 -1.155 -1.487 3.756 1.00 0.00 C ATOM 1011 C VAL A 67 -2.063 -0.287 3.983 1.00 0.00 C ATOM 1012 O VAL A 67 -3.275 -0.376 3.820 1.00 0.00 O ATOM 1013 CB VAL A 67 -1.459 -2.110 2.377 1.00 0.00 C ATOM 1014 CG1 VAL A 67 -1.269 -1.090 1.264 1.00 0.00 C ATOM 1015 CG2 VAL A 67 -0.582 -3.329 2.139 1.00 0.00 C ATOM 0 H VAL A 67 -1.939 -3.237 4.585 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.111 -1.175 3.762 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.502 -2.426 2.371 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.490 -1.555 0.303 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.943 -0.248 1.423 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.238 -0.735 1.267 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.810 -3.756 1.162 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.467 -3.034 2.171 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.774 -4.072 2.913 1.00 0.00 H new ATOM 1025 N LYS A 68 -1.476 0.824 4.389 1.00 0.00 N ATOM 1026 CA LYS A 68 -2.246 2.019 4.686 1.00 0.00 C ATOM 1027 C LYS A 68 -2.194 2.991 3.517 1.00 0.00 C ATOM 1028 O LYS A 68 -1.169 3.626 3.272 1.00 0.00 O ATOM 1029 CB LYS A 68 -1.711 2.685 5.953 1.00 0.00 C ATOM 1030 CG LYS A 68 -1.779 1.792 7.180 1.00 0.00 C ATOM 1031 CD LYS A 68 -1.102 2.437 8.376 1.00 0.00 C ATOM 1032 CE LYS A 68 -1.182 1.548 9.609 1.00 0.00 C ATOM 1033 NZ LYS A 68 -2.584 1.317 10.054 1.00 0.00 N ATOM 0 H LYS A 68 -0.470 0.924 4.521 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.285 1.733 4.849 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.676 2.984 5.788 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.279 3.595 6.144 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.821 1.581 7.420 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -1.302 0.836 6.963 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.057 2.639 8.139 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.572 3.397 8.587 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.710 0.590 9.393 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.617 2.006 10.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.588 1.028 11.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.132 2.194 9.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.013 0.567 9.475 1.00 0.00 H new ATOM 1047 N VAL A 69 -3.290 3.088 2.788 1.00 0.00 N ATOM 1048 CA VAL A 69 -3.371 3.990 1.650 1.00 0.00 C ATOM 1049 C VAL A 69 -3.811 5.375 2.110 1.00 0.00 C ATOM 1050 O VAL A 69 -4.731 5.500 2.924 1.00 0.00 O ATOM 1051 CB VAL A 69 -4.360 3.466 0.584 1.00 0.00 C ATOM 1052 CG1 VAL A 69 -4.360 4.360 -0.648 1.00 0.00 C ATOM 1053 CG2 VAL A 69 -4.030 2.029 0.207 1.00 0.00 C ATOM 0 H VAL A 69 -4.140 2.552 2.963 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.379 4.047 1.202 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.362 3.487 1.014 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.064 3.968 -1.382 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.656 5.370 -0.365 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.360 4.383 -1.081 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.737 1.678 -0.544 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.019 1.982 -0.197 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.097 1.396 1.092 1.00 0.00 H new ATOM 1063 N GLU A 70 -3.140 6.406 1.614 1.00 0.00 N ATOM 1064 CA GLU A 70 -3.506 7.780 1.935 1.00 0.00 C ATOM 1065 C GLU A 70 -4.902 8.095 1.403 1.00 0.00 C ATOM 1066 O GLU A 70 -5.232 7.734 0.272 1.00 0.00 O ATOM 1067 CB GLU A 70 -2.486 8.759 1.348 1.00 0.00 C ATOM 1068 CG GLU A 70 -1.091 8.590 1.919 1.00 0.00 C ATOM 1069 CD GLU A 70 -0.088 9.554 1.319 1.00 0.00 C ATOM 1070 OE1 GLU A 70 0.516 9.221 0.282 1.00 0.00 O ATOM 1071 OE2 GLU A 70 0.119 10.643 1.896 1.00 0.00 O ATOM 0 H GLU A 70 -2.340 6.318 0.988 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.509 7.890 3.019 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.447 8.626 0.267 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.825 9.779 1.532 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.126 8.735 2.999 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.754 7.568 1.745 1.00 0.00 H new ATOM 1078 N PRO A 71 -5.738 8.753 2.226 1.00 0.00 N ATOM 1079 CA PRO A 71 -7.110 9.115 1.852 1.00 0.00 C ATOM 1080 C PRO A 71 -7.177 9.872 0.529 1.00 0.00 C ATOM 1081 O PRO A 71 -6.422 10.825 0.306 1.00 0.00 O ATOM 1082 CB PRO A 71 -7.569 10.011 3.004 1.00 0.00 C ATOM 1083 CG PRO A 71 -6.740 9.586 4.165 1.00 0.00 C ATOM 1084 CD PRO A 71 -5.406 9.187 3.595 1.00 0.00 C ATOM 0 HA PRO A 71 -7.734 8.234 1.703 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -7.415 11.065 2.772 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -8.632 9.881 3.208 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -6.630 10.397 4.885 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.204 8.753 4.692 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.704 10.021 3.593 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -4.946 8.384 4.171 1.00 0.00 H new ATOM 1092 N ILE A 72 -8.082 9.446 -0.337 1.00 0.00 N ATOM 1093 CA ILE A 72 -8.209 10.031 -1.661 1.00 0.00 C ATOM 1094 C ILE A 72 -9.328 11.071 -1.669 1.00 0.00 C ATOM 1095 O ILE A 72 -10.480 10.758 -1.359 1.00 0.00 O ATOM 1096 CB ILE A 72 -8.495 8.964 -2.752 1.00 0.00 C ATOM 1097 CG1 ILE A 72 -7.528 7.775 -2.651 1.00 0.00 C ATOM 1098 CG2 ILE A 72 -8.396 9.589 -4.133 1.00 0.00 C ATOM 1099 CD1 ILE A 72 -7.957 6.708 -1.662 1.00 0.00 C ATOM 0 H ILE A 72 -8.743 8.693 -0.145 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.254 10.502 -1.895 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.506 8.591 -2.590 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.424 7.321 -3.636 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -6.543 8.145 -2.365 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.598 8.832 -4.890 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.125 10.394 -4.221 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.393 9.990 -4.280 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.220 5.905 -1.651 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -8.032 7.144 -0.666 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.927 6.307 -1.957 1.00 0.00 H new ATOM 1111 N PRO A 73 -8.999 12.327 -2.012 1.00 0.00 N ATOM 1112 CA PRO A 73 -9.964 13.431 -2.020 1.00 0.00 C ATOM 1113 C PRO A 73 -11.141 13.189 -2.966 1.00 0.00 C ATOM 1114 O PRO A 73 -10.957 13.018 -4.174 1.00 0.00 O ATOM 1115 CB PRO A 73 -9.140 14.635 -2.491 1.00 0.00 C ATOM 1116 CG PRO A 73 -7.723 14.261 -2.225 1.00 0.00 C ATOM 1117 CD PRO A 73 -7.654 12.773 -2.410 1.00 0.00 C ATOM 0 HA PRO A 73 -10.418 13.565 -1.038 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -9.303 14.835 -3.550 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.418 15.539 -1.950 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.048 14.773 -2.911 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.426 14.544 -1.215 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.429 12.505 -3.442 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.880 12.324 -1.788 1.00 0.00 H new ATOM 1125 N ASN A 74 -12.343 13.161 -2.387 1.00 0.00 N ATOM 1126 CA ASN A 74 -13.604 13.059 -3.136 1.00 0.00 C ATOM 1127 C ASN A 74 -13.777 11.691 -3.791 1.00 0.00 C ATOM 1128 O ASN A 74 -14.632 11.514 -4.659 1.00 0.00 O ATOM 1129 CB ASN A 74 -13.705 14.156 -4.206 1.00 0.00 C ATOM 1130 CG ASN A 74 -13.647 15.558 -3.630 1.00 0.00 C ATOM 1131 OD1 ASN A 74 -12.573 16.153 -3.519 1.00 0.00 O ATOM 1132 ND2 ASN A 74 -14.796 16.092 -3.249 1.00 0.00 N ATOM 0 H ASN A 74 -12.473 13.209 -1.376 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.405 13.192 -2.409 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -12.894 14.031 -4.923 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.638 14.034 -4.756 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.814 17.029 -2.847 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.663 15.567 -3.358 1.00 0.00 H new ATOM 1139 N ILE A 75 -12.983 10.722 -3.367 1.00 0.00 N ATOM 1140 CA ILE A 75 -13.055 9.379 -3.924 1.00 0.00 C ATOM 1141 C ILE A 75 -13.158 8.349 -2.801 1.00 0.00 C ATOM 1142 O ILE A 75 -12.384 8.387 -1.844 1.00 0.00 O ATOM 1143 CB ILE A 75 -11.821 9.072 -4.801 1.00 0.00 C ATOM 1144 CG1 ILE A 75 -11.745 10.063 -5.970 1.00 0.00 C ATOM 1145 CG2 ILE A 75 -11.863 7.638 -5.313 1.00 0.00 C ATOM 1146 CD1 ILE A 75 -10.584 9.818 -6.905 1.00 0.00 C ATOM 0 H ILE A 75 -12.280 10.839 -2.638 1.00 0.00 H new ATOM 0 HA ILE A 75 -13.945 9.323 -4.551 1.00 0.00 H new ATOM 0 HB ILE A 75 -10.925 9.184 -4.190 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -12.674 10.011 -6.538 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -11.671 11.075 -5.572 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -10.984 7.445 -5.928 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -11.872 6.950 -4.468 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -12.763 7.491 -5.910 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -10.598 10.558 -7.705 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -9.648 9.899 -6.352 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -10.667 8.819 -7.334 1.00 0.00 H new ATOM 1158 N LYS A 76 -14.124 7.445 -2.908 1.00 0.00 N ATOM 1159 CA LYS A 76 -14.328 6.420 -1.889 1.00 0.00 C ATOM 1160 C LYS A 76 -13.355 5.268 -2.078 1.00 0.00 C ATOM 1161 O LYS A 76 -13.133 4.817 -3.199 1.00 0.00 O ATOM 1162 CB LYS A 76 -15.745 5.851 -1.953 1.00 0.00 C ATOM 1163 CG LYS A 76 -16.854 6.857 -1.715 1.00 0.00 C ATOM 1164 CD LYS A 76 -18.206 6.164 -1.741 1.00 0.00 C ATOM 1165 CE LYS A 76 -19.349 7.132 -1.503 1.00 0.00 C ATOM 1166 NZ LYS A 76 -20.662 6.435 -1.474 1.00 0.00 N ATOM 0 H LYS A 76 -14.779 7.400 -3.689 1.00 0.00 H new ATOM 0 HA LYS A 76 -14.164 6.898 -0.923 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -15.893 5.396 -2.932 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -15.834 5.054 -1.214 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -16.708 7.349 -0.754 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -16.821 7.634 -2.479 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -18.342 5.673 -2.704 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -18.228 5.384 -0.980 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -19.193 7.654 -0.559 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -19.355 7.888 -2.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -21.420 7.128 -1.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -20.822 5.957 -2.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -20.665 5.731 -0.708 1.00 0.00 H new ATOM 1180 N ILE A 77 -12.791 4.784 -0.987 1.00 0.00 N ATOM 1181 CA ILE A 77 -11.980 3.582 -1.040 1.00 0.00 C ATOM 1182 C ILE A 77 -12.847 2.362 -0.725 1.00 0.00 C ATOM 1183 O ILE A 77 -13.430 2.250 0.355 1.00 0.00 O ATOM 1184 CB ILE A 77 -10.753 3.654 -0.092 1.00 0.00 C ATOM 1185 CG1 ILE A 77 -9.894 2.395 -0.240 1.00 0.00 C ATOM 1186 CG2 ILE A 77 -11.183 3.846 1.358 1.00 0.00 C ATOM 1187 CD1 ILE A 77 -8.608 2.435 0.557 1.00 0.00 C ATOM 0 H ILE A 77 -12.878 5.201 -0.060 1.00 0.00 H new ATOM 0 HA ILE A 77 -11.583 3.491 -2.051 1.00 0.00 H new ATOM 0 HB ILE A 77 -10.156 4.521 -0.376 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.478 1.529 0.073 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -9.653 2.253 -1.293 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -10.301 3.892 1.996 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -11.747 4.774 1.450 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -11.809 3.009 1.666 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -8.054 1.509 0.401 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.002 3.280 0.228 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -8.840 2.545 1.616 1.00 0.00 H new ATOM 1199 N VAL A 78 -12.972 1.474 -1.698 1.00 0.00 N ATOM 1200 CA VAL A 78 -13.794 0.280 -1.548 1.00 0.00 C ATOM 1201 C VAL A 78 -12.936 -0.899 -1.121 1.00 0.00 C ATOM 1202 O VAL A 78 -13.244 -1.595 -0.156 1.00 0.00 O ATOM 1203 CB VAL A 78 -14.514 -0.082 -2.863 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -15.494 -1.224 -2.646 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -15.213 1.135 -3.447 1.00 0.00 C ATOM 0 H VAL A 78 -12.513 1.557 -2.605 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.542 0.496 -0.785 1.00 0.00 H new ATOM 0 HB VAL A 78 -13.765 -0.416 -3.581 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -15.990 -1.462 -3.587 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -14.956 -2.102 -2.287 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -16.239 -0.928 -1.908 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -15.714 0.857 -4.374 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -15.949 1.509 -2.735 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.478 1.913 -3.652 1.00 0.00 H new ATOM 1215 N GLU A 79 -11.849 -1.110 -1.843 1.00 0.00 N ATOM 1216 CA GLU A 79 -10.945 -2.207 -1.547 1.00 0.00 C ATOM 1217 C GLU A 79 -9.573 -1.671 -1.202 1.00 0.00 C ATOM 1218 O GLU A 79 -9.223 -0.556 -1.581 1.00 0.00 O ATOM 1219 CB GLU A 79 -10.832 -3.169 -2.726 1.00 0.00 C ATOM 1220 CG GLU A 79 -12.136 -3.847 -3.098 1.00 0.00 C ATOM 1221 CD GLU A 79 -11.930 -4.964 -4.094 1.00 0.00 C ATOM 1222 OE1 GLU A 79 -11.365 -4.706 -5.174 1.00 0.00 O ATOM 1223 OE2 GLU A 79 -12.325 -6.109 -3.798 1.00 0.00 O ATOM 0 H GLU A 79 -11.571 -0.536 -2.639 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.353 -2.752 -0.696 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.459 -2.623 -3.592 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.092 -3.933 -2.488 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.607 -4.245 -2.199 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.821 -3.110 -3.517 1.00 0.00 H new ATOM 1230 N ILE A 80 -8.804 -2.471 -0.491 1.00 0.00 N ATOM 1231 CA ILE A 80 -7.466 -2.085 -0.082 1.00 0.00 C ATOM 1232 C ILE A 80 -6.563 -3.319 -0.106 1.00 0.00 C ATOM 1233 O ILE A 80 -5.539 -3.393 0.568 1.00 0.00 O ATOM 1234 CB ILE A 80 -7.506 -1.429 1.323 1.00 0.00 C ATOM 1235 CG1 ILE A 80 -6.170 -0.764 1.664 1.00 0.00 C ATOM 1236 CG2 ILE A 80 -7.893 -2.449 2.388 1.00 0.00 C ATOM 1237 CD1 ILE A 80 -6.211 0.057 2.934 1.00 0.00 C ATOM 0 H ILE A 80 -9.085 -3.401 -0.181 1.00 0.00 H new ATOM 0 HA ILE A 80 -7.060 -1.346 -0.773 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.269 -0.651 1.305 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.405 -1.534 1.763 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.871 -0.122 0.835 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.914 -1.965 3.365 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -8.879 -2.854 2.162 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.162 -3.258 2.400 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.231 0.499 3.114 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.953 0.849 2.831 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -6.479 -0.584 3.773 1.00 0.00 H new ATOM 1249 N SER A 81 -6.954 -4.279 -0.934 1.00 0.00 N ATOM 1250 CA SER A 81 -6.278 -5.563 -1.011 1.00 0.00 C ATOM 1251 C SER A 81 -5.087 -5.510 -1.972 1.00 0.00 C ATOM 1252 O SER A 81 -5.142 -4.840 -3.006 1.00 0.00 O ATOM 1253 CB SER A 81 -7.277 -6.627 -1.459 1.00 0.00 C ATOM 1254 OG SER A 81 -8.435 -6.598 -0.641 1.00 0.00 O ATOM 0 H SER A 81 -7.747 -4.188 -1.569 1.00 0.00 H new ATOM 0 HA SER A 81 -5.889 -5.815 -0.024 1.00 0.00 H new ATOM 0 HB2 SER A 81 -7.555 -6.458 -2.499 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.814 -7.613 -1.409 1.00 0.00 H new ATOM 0 HG SER A 81 -9.066 -7.285 -0.943 1.00 0.00 H new ATOM 1260 N PRO A 82 -3.985 -6.209 -1.642 1.00 0.00 N ATOM 1261 CA PRO A 82 -3.855 -6.986 -0.401 1.00 0.00 C ATOM 1262 C PRO A 82 -3.829 -6.090 0.831 1.00 0.00 C ATOM 1263 O PRO A 82 -2.998 -5.191 0.942 1.00 0.00 O ATOM 1264 CB PRO A 82 -2.515 -7.719 -0.557 1.00 0.00 C ATOM 1265 CG PRO A 82 -2.161 -7.593 -2.000 1.00 0.00 C ATOM 1266 CD PRO A 82 -2.774 -6.304 -2.464 1.00 0.00 C ATOM 0 HA PRO A 82 -4.700 -7.660 -0.256 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.748 -7.274 0.076 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -2.603 -8.765 -0.264 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -1.080 -7.583 -2.137 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.547 -8.437 -2.572 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.107 -5.457 -2.302 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.008 -6.327 -3.528 1.00 0.00 H new ATOM 1274 N ARG A 83 -4.741 -6.360 1.750 1.00 0.00 N ATOM 1275 CA ARG A 83 -4.941 -5.519 2.924 1.00 0.00 C ATOM 1276 C ARG A 83 -3.761 -5.636 3.877 1.00 0.00 C ATOM 1277 O ARG A 83 -3.415 -4.690 4.589 1.00 0.00 O ATOM 1278 CB ARG A 83 -6.226 -5.938 3.637 1.00 0.00 C ATOM 1279 CG ARG A 83 -7.427 -6.031 2.710 1.00 0.00 C ATOM 1280 CD ARG A 83 -8.629 -6.628 3.418 1.00 0.00 C ATOM 1281 NE ARG A 83 -8.320 -7.927 4.015 1.00 0.00 N ATOM 1282 CZ ARG A 83 -9.176 -8.620 4.767 1.00 0.00 C ATOM 1283 NH1 ARG A 83 -10.436 -8.218 4.884 1.00 0.00 N ATOM 1284 NH2 ARG A 83 -8.782 -9.735 5.368 1.00 0.00 N ATOM 0 H ARG A 83 -5.364 -7.166 1.706 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.021 -4.481 2.602 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.069 -6.905 4.115 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -6.443 -5.222 4.430 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.679 -5.038 2.338 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.173 -6.642 1.843 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.970 -5.943 4.195 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -9.449 -6.740 2.709 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.396 -8.326 3.846 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -10.751 -7.378 4.398 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -11.089 -8.749 5.460 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -7.823 -10.064 5.255 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -9.438 -10.264 5.943 1.00 0.00 H new ATOM 1298 N VAL A 84 -3.149 -6.810 3.884 1.00 0.00 N ATOM 1299 CA VAL A 84 -2.015 -7.082 4.746 1.00 0.00 C ATOM 1300 C VAL A 84 -0.859 -7.628 3.917 1.00 0.00 C ATOM 1301 O VAL A 84 -1.058 -8.480 3.049 1.00 0.00 O ATOM 1302 CB VAL A 84 -2.378 -8.102 5.851 1.00 0.00 C ATOM 1303 CG1 VAL A 84 -1.214 -8.306 6.806 1.00 0.00 C ATOM 1304 CG2 VAL A 84 -3.620 -7.660 6.612 1.00 0.00 C ATOM 0 H VAL A 84 -3.424 -7.596 3.295 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.724 -6.147 5.224 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.594 -9.055 5.367 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.495 -9.027 7.573 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.352 -8.680 6.254 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.959 -7.357 7.277 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.854 -8.394 7.383 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.436 -6.691 7.077 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.460 -7.578 5.922 1.00 0.00 H new ATOM 1314 N VAL A 85 0.336 -7.121 4.163 1.00 0.00 N ATOM 1315 CA VAL A 85 1.524 -7.608 3.483 1.00 0.00 C ATOM 1316 C VAL A 85 2.533 -8.135 4.489 1.00 0.00 C ATOM 1317 O VAL A 85 2.806 -7.502 5.511 1.00 0.00 O ATOM 1318 CB VAL A 85 2.185 -6.523 2.603 1.00 0.00 C ATOM 1319 CG1 VAL A 85 1.331 -6.233 1.378 1.00 0.00 C ATOM 1320 CG2 VAL A 85 2.427 -5.246 3.399 1.00 0.00 C ATOM 0 H VAL A 85 0.510 -6.370 4.831 1.00 0.00 H new ATOM 0 HA VAL A 85 1.203 -8.416 2.826 1.00 0.00 H new ATOM 0 HB VAL A 85 3.151 -6.903 2.270 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.813 -5.467 0.771 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.218 -7.144 0.790 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.349 -5.881 1.694 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.893 -4.499 2.756 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.476 -4.863 3.770 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.085 -5.461 4.241 1.00 0.00 H new ATOM 1330 N THR A 86 3.069 -9.305 4.208 1.00 0.00 N ATOM 1331 CA THR A 86 4.042 -9.919 5.084 1.00 0.00 C ATOM 1332 C THR A 86 5.444 -9.432 4.729 1.00 0.00 C ATOM 1333 O THR A 86 6.042 -9.879 3.747 1.00 0.00 O ATOM 1334 CB THR A 86 3.971 -11.453 4.982 1.00 0.00 C ATOM 1335 OG1 THR A 86 2.598 -11.869 4.946 1.00 0.00 O ATOM 1336 CG2 THR A 86 4.667 -12.103 6.166 1.00 0.00 C ATOM 0 H THR A 86 2.845 -9.851 3.376 1.00 0.00 H new ATOM 0 HA THR A 86 3.815 -9.632 6.111 1.00 0.00 H new ATOM 0 HB THR A 86 4.476 -11.764 4.067 1.00 0.00 H new ATOM 0 HG1 THR A 86 2.121 -11.490 5.714 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.605 -13.187 6.074 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.714 -11.800 6.184 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.182 -11.789 7.090 1.00 0.00 H new ATOM 1344 N LEU A 87 5.951 -8.495 5.515 1.00 0.00 N ATOM 1345 CA LEU A 87 7.247 -7.895 5.247 1.00 0.00 C ATOM 1346 C LEU A 87 8.274 -8.397 6.245 1.00 0.00 C ATOM 1347 O LEU A 87 8.009 -8.462 7.447 1.00 0.00 O ATOM 1348 CB LEU A 87 7.162 -6.366 5.312 1.00 0.00 C ATOM 1349 CG LEU A 87 6.225 -5.716 4.289 1.00 0.00 C ATOM 1350 CD1 LEU A 87 6.213 -4.206 4.469 1.00 0.00 C ATOM 1351 CD2 LEU A 87 6.641 -6.080 2.872 1.00 0.00 C ATOM 0 H LEU A 87 5.483 -8.133 6.346 1.00 0.00 H new ATOM 0 HA LEU A 87 7.554 -8.183 4.242 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.836 -6.079 6.312 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.163 -5.957 5.174 1.00 0.00 H new ATOM 0 HG LEU A 87 5.217 -6.095 4.456 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.543 -3.757 3.735 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.867 -3.962 5.473 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.220 -3.815 4.327 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.963 -5.608 2.161 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.657 -5.731 2.690 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.601 -7.162 2.748 1.00 0.00 H new ATOM 1363 N GLN A 88 9.441 -8.764 5.749 1.00 0.00 N ATOM 1364 CA GLN A 88 10.510 -9.224 6.612 1.00 0.00 C ATOM 1365 C GLN A 88 11.453 -8.077 6.948 1.00 0.00 C ATOM 1366 O GLN A 88 12.267 -7.658 6.118 1.00 0.00 O ATOM 1367 CB GLN A 88 11.284 -10.367 5.958 1.00 0.00 C ATOM 1368 CG GLN A 88 12.393 -10.922 6.837 1.00 0.00 C ATOM 1369 CD GLN A 88 13.193 -12.011 6.155 1.00 0.00 C ATOM 1370 OE1 GLN A 88 13.334 -12.022 4.932 1.00 0.00 O ATOM 1371 NE2 GLN A 88 13.736 -12.926 6.940 1.00 0.00 N ATOM 0 H GLN A 88 9.671 -8.752 4.755 1.00 0.00 H new ATOM 0 HA GLN A 88 10.064 -9.595 7.535 1.00 0.00 H new ATOM 0 HB2 GLN A 88 10.591 -11.170 5.709 1.00 0.00 H new ATOM 0 HB3 GLN A 88 11.714 -10.015 5.020 1.00 0.00 H new ATOM 0 HG2 GLN A 88 13.063 -10.111 7.124 1.00 0.00 H new ATOM 0 HG3 GLN A 88 11.959 -11.317 7.755 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.595 -12.881 7.949 1.00 0.00 H new ATOM 0 HE22 GLN A 88 14.296 -13.677 6.536 1.00 0.00 H new ATOM 1380 N LEU A 89 11.320 -7.554 8.155 1.00 0.00 N ATOM 1381 CA LEU A 89 12.229 -6.530 8.630 1.00 0.00 C ATOM 1382 C LEU A 89 13.485 -7.178 9.158 1.00 0.00 C ATOM 1383 O LEU A 89 13.442 -7.981 10.088 1.00 0.00 O ATOM 1384 CB LEU A 89 11.592 -5.675 9.721 1.00 0.00 C ATOM 1385 CG LEU A 89 10.502 -4.726 9.239 1.00 0.00 C ATOM 1386 CD1 LEU A 89 9.971 -3.902 10.395 1.00 0.00 C ATOM 1387 CD2 LEU A 89 11.034 -3.819 8.143 1.00 0.00 C ATOM 0 H LEU A 89 10.594 -7.821 8.820 1.00 0.00 H new ATOM 0 HA LEU A 89 12.470 -5.876 7.792 1.00 0.00 H new ATOM 0 HB2 LEU A 89 11.170 -6.335 10.479 1.00 0.00 H new ATOM 0 HB3 LEU A 89 12.373 -5.091 10.207 1.00 0.00 H new ATOM 0 HG LEU A 89 9.684 -5.318 8.830 1.00 0.00 H new ATOM 0 HD11 LEU A 89 9.193 -3.229 10.035 1.00 0.00 H new ATOM 0 HD12 LEU A 89 9.555 -4.565 11.153 1.00 0.00 H new ATOM 0 HD13 LEU A 89 10.783 -3.319 10.829 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.242 -3.148 7.810 1.00 0.00 H new ATOM 0 HD22 LEU A 89 11.868 -3.233 8.529 1.00 0.00 H new ATOM 0 HD23 LEU A 89 11.373 -4.424 7.303 1.00 0.00 H new ATOM 1399 N GLU A 90 14.599 -6.838 8.567 1.00 0.00 N ATOM 1400 CA GLU A 90 15.852 -7.430 8.968 1.00 0.00 C ATOM 1401 C GLU A 90 16.615 -6.476 9.869 1.00 0.00 C ATOM 1402 O GLU A 90 16.479 -5.255 9.765 1.00 0.00 O ATOM 1403 CB GLU A 90 16.692 -7.814 7.750 1.00 0.00 C ATOM 1404 CG GLU A 90 17.260 -9.224 7.834 1.00 0.00 C ATOM 1405 CD GLU A 90 18.122 -9.433 9.060 1.00 0.00 C ATOM 1406 OE1 GLU A 90 17.567 -9.742 10.142 1.00 0.00 O ATOM 1407 OE2 GLU A 90 19.351 -9.270 8.958 1.00 0.00 O ATOM 0 H GLU A 90 14.667 -6.158 7.810 1.00 0.00 H new ATOM 0 HA GLU A 90 15.639 -8.342 9.525 1.00 0.00 H new ATOM 0 HB2 GLU A 90 16.079 -7.729 6.853 1.00 0.00 H new ATOM 0 HB3 GLU A 90 17.513 -7.104 7.644 1.00 0.00 H new ATOM 0 HG2 GLU A 90 16.440 -9.942 7.845 1.00 0.00 H new ATOM 0 HG3 GLU A 90 17.850 -9.428 6.941 1.00 0.00 H new ATOM 1414 N HIS A 91 17.395 -7.051 10.763 1.00 0.00 N ATOM 1415 CA HIS A 91 18.185 -6.283 11.704 1.00 0.00 C ATOM 1416 C HIS A 91 19.324 -5.595 10.968 1.00 0.00 C ATOM 1417 O HIS A 91 20.104 -6.248 10.274 1.00 0.00 O ATOM 1418 CB HIS A 91 18.767 -7.200 12.790 1.00 0.00 C ATOM 1419 CG HIS A 91 17.762 -8.079 13.475 1.00 0.00 C ATOM 1420 ND1 HIS A 91 17.370 -9.300 12.970 1.00 0.00 N ATOM 1421 CD2 HIS A 91 17.092 -7.926 14.642 1.00 0.00 C ATOM 1422 CE1 HIS A 91 16.499 -9.855 13.791 1.00 0.00 C ATOM 1423 NE2 HIS A 91 16.314 -9.046 14.817 1.00 0.00 N ATOM 0 H HIS A 91 17.499 -8.061 10.857 1.00 0.00 H new ATOM 0 HA HIS A 91 17.542 -5.539 12.174 1.00 0.00 H new ATOM 0 HB2 HIS A 91 19.534 -7.831 12.341 1.00 0.00 H new ATOM 0 HB3 HIS A 91 19.261 -6.583 13.541 1.00 0.00 H new ATOM 0 HD1 HIS A 91 17.702 -9.711 12.097 1.00 0.00 H new ATOM 0 HD2 HIS A 91 17.157 -7.081 15.311 1.00 0.00 H new ATOM 0 HE1 HIS A 91 16.018 -10.811 13.647 1.00 0.00 H new ATOM 1432 N HIS A 92 19.416 -4.284 11.097 1.00 0.00 N ATOM 1433 CA HIS A 92 20.547 -3.562 10.541 1.00 0.00 C ATOM 1434 C HIS A 92 21.689 -3.591 11.548 1.00 0.00 C ATOM 1435 O HIS A 92 22.811 -3.180 11.264 1.00 0.00 O ATOM 1436 CB HIS A 92 20.163 -2.124 10.184 1.00 0.00 C ATOM 1437 CG HIS A 92 21.219 -1.390 9.412 1.00 0.00 C ATOM 1438 ND1 HIS A 92 21.639 -0.121 9.733 1.00 0.00 N ATOM 1439 CD2 HIS A 92 21.941 -1.760 8.327 1.00 0.00 C ATOM 1440 CE1 HIS A 92 22.568 0.262 8.879 1.00 0.00 C ATOM 1441 NE2 HIS A 92 22.775 -0.715 8.017 1.00 0.00 N ATOM 0 H HIS A 92 18.729 -3.702 11.577 1.00 0.00 H new ATOM 0 HA HIS A 92 20.866 -4.044 9.617 1.00 0.00 H new ATOM 0 HB2 HIS A 92 19.243 -2.138 9.600 1.00 0.00 H new ATOM 0 HB3 HIS A 92 19.950 -1.576 11.102 1.00 0.00 H new ATOM 0 HD2 HIS A 92 21.873 -2.702 7.803 1.00 0.00 H new ATOM 0 HE1 HIS A 92 23.075 1.216 8.884 1.00 0.00 H new ATOM 0 HE2 HIS A 92 23.444 -0.697 7.247 1.00 0.00 H new