USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 651 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 76 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 90 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 18 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 20 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -3.79! C(o=-3.8!,f=-6.1!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0135 USER MOD Single : A 13 SER OG : rot 74:sc= 0.135 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.019 X(o=-0.019,f=-0.34) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -79:sc= 0.423 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 30:sc= 0.221 USER MOD Single : A 40 THR OG1 : rot -120:sc= 0 USER MOD Single : A 57 SER OG : rot -49:sc= 0.506 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot -22:sc= 0.125 USER MOD Single : A 62 TYR OH : rot 39:sc= 0.193 USER MOD Single : A 63 THR OG1 : rot 180:sc=-0.00308 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 165:sc= 0 USER MOD Single : A 79 THR OG1 : rot -140:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.561 K(o=-0.56,f=-1.8!) USER MOD Single : A 86 SER OG : rot 79:sc= -0.469 USER MOD Single : A 89 THR OG1 : rot 58:sc= 1.27 USER MOD Single : A 92 THR OG1 : rot -71:sc= 1.17 USER MOD Single : A 93 GLN : amide:sc= 0.212 K(o=0.21,f=-7.4!) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 41:sc= 0.623 USER MOD ----------------------------------------------------------------- ATOM 77 N VAL A 6 -14.383 7.241 2.731 1.00 0.00 N ATOM 78 CA VAL A 6 -13.147 7.866 2.294 1.00 0.00 C ATOM 79 C VAL A 6 -12.897 7.445 0.835 1.00 0.00 C ATOM 80 O VAL A 6 -13.023 6.247 0.539 1.00 0.00 O ATOM 81 CB VAL A 6 -12.024 7.476 3.273 1.00 0.00 C ATOM 82 CG1 VAL A 6 -10.658 7.977 2.817 1.00 0.00 C ATOM 83 CG2 VAL A 6 -12.309 8.033 4.676 1.00 0.00 C ATOM 0 HA VAL A 6 -13.193 8.955 2.307 1.00 0.00 H new ATOM 0 HB VAL A 6 -12.002 6.386 3.298 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -9.900 7.677 3.541 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -10.420 7.549 1.843 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -10.676 9.064 2.741 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -11.504 7.746 5.352 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -12.374 9.120 4.630 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -13.252 7.629 5.043 1.00 0.00 H new ATOM 93 N PRO A 7 -12.530 8.372 -0.074 1.00 0.00 N ATOM 94 CA PRO A 7 -12.137 8.046 -1.432 1.00 0.00 C ATOM 95 C PRO A 7 -10.840 7.246 -1.409 1.00 0.00 C ATOM 96 O PRO A 7 -9.775 7.765 -1.065 1.00 0.00 O ATOM 97 CB PRO A 7 -12.062 9.354 -2.220 1.00 0.00 C ATOM 98 CG PRO A 7 -11.987 10.443 -1.160 1.00 0.00 C ATOM 99 CD PRO A 7 -12.580 9.812 0.096 1.00 0.00 C ATOM 0 HA PRO A 7 -12.862 7.406 -1.934 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -11.188 9.374 -2.870 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -12.937 9.482 -2.858 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -10.958 10.762 -0.994 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -12.550 11.327 -1.461 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -12.017 10.114 0.979 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -13.607 10.145 0.244 1.00 0.00 H new ATOM 107 N GLN A 8 -10.960 5.962 -1.739 1.00 0.00 N ATOM 108 CA GLN A 8 -9.887 5.000 -1.830 1.00 0.00 C ATOM 109 C GLN A 8 -8.926 5.472 -2.910 1.00 0.00 C ATOM 110 O GLN A 8 -9.334 6.182 -3.836 1.00 0.00 O ATOM 111 CB GLN A 8 -10.502 3.646 -2.239 1.00 0.00 C ATOM 112 CG GLN A 8 -10.945 2.750 -1.077 1.00 0.00 C ATOM 113 CD GLN A 8 -9.737 1.987 -0.546 1.00 0.00 C ATOM 114 OE1 GLN A 8 -8.781 2.596 -0.076 1.00 0.00 O ATOM 115 NE2 GLN A 8 -9.737 0.667 -0.595 1.00 0.00 N ATOM 0 H GLN A 8 -11.866 5.551 -1.961 1.00 0.00 H new ATOM 0 HA GLN A 8 -9.358 4.898 -0.883 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -11.364 3.836 -2.879 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -9.773 3.101 -2.839 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.387 3.354 -0.284 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.713 2.052 -1.412 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.537 0.171 -0.988 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.937 0.143 -0.240 1.00 0.00 H new ATOM 124 N LEU A 9 -7.679 5.002 -2.835 1.00 0.00 N ATOM 125 CA LEU A 9 -6.704 5.157 -3.905 1.00 0.00 C ATOM 126 C LEU A 9 -7.112 4.273 -5.080 1.00 0.00 C ATOM 127 O LEU A 9 -6.534 3.217 -5.312 1.00 0.00 O ATOM 128 CB LEU A 9 -5.292 4.800 -3.407 1.00 0.00 C ATOM 129 CG LEU A 9 -4.724 5.775 -2.364 1.00 0.00 C ATOM 130 CD1 LEU A 9 -3.373 5.231 -1.895 1.00 0.00 C ATOM 131 CD2 LEU A 9 -4.548 7.191 -2.928 1.00 0.00 C ATOM 0 H LEU A 9 -7.320 4.501 -2.023 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.682 6.197 -4.232 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.313 3.799 -2.977 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.616 4.766 -4.261 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.428 5.850 -1.535 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.947 5.906 -1.152 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.512 4.245 -1.452 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.696 5.154 -2.746 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.144 7.843 -2.154 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.861 7.163 -3.774 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.514 7.574 -3.258 1.00 0.00 H new ATOM 143 N THR A 10 -8.108 4.703 -5.842 1.00 0.00 N ATOM 144 CA THR A 10 -8.506 4.034 -7.074 1.00 0.00 C ATOM 145 C THR A 10 -7.319 3.956 -8.059 1.00 0.00 C ATOM 146 O THR A 10 -7.193 2.987 -8.808 1.00 0.00 O ATOM 147 CB THR A 10 -9.725 4.777 -7.647 1.00 0.00 C ATOM 148 OG1 THR A 10 -10.669 5.042 -6.623 1.00 0.00 O ATOM 149 CG2 THR A 10 -10.448 3.987 -8.732 1.00 0.00 C ATOM 0 H THR A 10 -8.665 5.529 -5.623 1.00 0.00 H new ATOM 0 HA THR A 10 -8.795 3.001 -6.883 1.00 0.00 H new ATOM 0 HB THR A 10 -9.332 5.697 -8.080 1.00 0.00 H new ATOM 0 HG1 THR A 10 -11.438 5.517 -7.002 1.00 0.00 H new ATOM 0 HG21 THR A 10 -11.298 4.563 -9.096 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.763 3.790 -9.557 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.801 3.042 -8.320 1.00 0.00 H new ATOM 157 N ASP A 11 -6.403 4.931 -8.023 1.00 0.00 N ATOM 158 CA ASP A 11 -5.221 4.999 -8.885 1.00 0.00 C ATOM 159 C ASP A 11 -4.081 4.079 -8.421 1.00 0.00 C ATOM 160 O ASP A 11 -3.016 4.069 -9.032 1.00 0.00 O ATOM 161 CB ASP A 11 -4.739 6.454 -8.974 1.00 0.00 C ATOM 162 CG ASP A 11 -4.030 6.750 -10.299 1.00 0.00 C ATOM 163 OD1 ASP A 11 -2.788 6.588 -10.385 1.00 0.00 O ATOM 164 OD2 ASP A 11 -4.702 7.254 -11.224 1.00 0.00 O ATOM 0 H ASP A 11 -6.467 5.716 -7.374 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.516 4.641 -9.871 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.591 7.124 -8.862 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.060 6.661 -8.147 1.00 0.00 H new ATOM 169 N LEU A 12 -4.266 3.344 -7.318 1.00 0.00 N ATOM 170 CA LEU A 12 -3.259 2.434 -6.760 1.00 0.00 C ATOM 171 C LEU A 12 -2.793 1.454 -7.838 1.00 0.00 C ATOM 172 O LEU A 12 -3.604 0.790 -8.482 1.00 0.00 O ATOM 173 CB LEU A 12 -3.848 1.716 -5.533 1.00 0.00 C ATOM 174 CG LEU A 12 -2.922 0.853 -4.659 1.00 0.00 C ATOM 175 CD1 LEU A 12 -2.378 -0.404 -5.351 1.00 0.00 C ATOM 176 CD2 LEU A 12 -1.798 1.676 -4.012 1.00 0.00 C ATOM 0 H LEU A 12 -5.132 3.365 -6.780 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.383 2.992 -6.430 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.294 2.475 -4.890 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.659 1.078 -5.883 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.567 0.483 -3.862 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.736 -0.950 -4.660 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.209 -1.041 -5.654 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.802 -0.115 -6.230 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.171 1.022 -3.405 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.192 2.139 -4.791 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.232 2.451 -3.381 1.00 0.00 H new ATOM 188 N SER A 13 -1.485 1.381 -8.069 1.00 0.00 N ATOM 189 CA SER A 13 -0.865 0.464 -9.013 1.00 0.00 C ATOM 190 C SER A 13 0.514 0.066 -8.514 1.00 0.00 C ATOM 191 O SER A 13 1.152 0.872 -7.845 1.00 0.00 O ATOM 192 CB SER A 13 -0.772 1.154 -10.376 1.00 0.00 C ATOM 193 OG SER A 13 -2.035 1.639 -10.805 1.00 0.00 O ATOM 0 H SER A 13 -0.810 1.977 -7.589 1.00 0.00 H new ATOM 0 HA SER A 13 -1.464 -0.441 -9.109 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.065 1.981 -10.318 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.382 0.453 -11.113 1.00 0.00 H new ATOM 0 HG SER A 13 -2.272 2.437 -10.288 1.00 0.00 H new ATOM 199 N PHE A 14 1.008 -1.138 -8.815 1.00 0.00 N ATOM 200 CA PHE A 14 2.382 -1.519 -8.504 1.00 0.00 C ATOM 201 C PHE A 14 3.131 -1.687 -9.822 1.00 0.00 C ATOM 202 O PHE A 14 2.548 -2.099 -10.830 1.00 0.00 O ATOM 203 CB PHE A 14 2.404 -2.819 -7.710 1.00 0.00 C ATOM 204 CG PHE A 14 1.685 -2.842 -6.373 1.00 0.00 C ATOM 205 CD1 PHE A 14 1.262 -1.677 -5.694 1.00 0.00 C ATOM 206 CD2 PHE A 14 1.471 -4.090 -5.771 1.00 0.00 C ATOM 207 CE1 PHE A 14 0.566 -1.768 -4.477 1.00 0.00 C ATOM 208 CE2 PHE A 14 0.823 -4.165 -4.533 1.00 0.00 C ATOM 209 CZ PHE A 14 0.347 -3.017 -3.890 1.00 0.00 C ATOM 0 H PHE A 14 0.468 -1.869 -9.278 1.00 0.00 H new ATOM 0 HA PHE A 14 2.859 -0.751 -7.896 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.974 -3.601 -8.335 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.446 -3.088 -7.535 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.476 -0.706 -6.115 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.806 -4.992 -6.262 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.200 -0.873 -3.995 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.688 -5.129 -4.064 1.00 0.00 H new ATOM 0 HZ PHE A 14 -0.183 -3.095 -2.952 1.00 0.00 H new ATOM 219 N VAL A 15 4.408 -1.337 -9.819 1.00 0.00 N ATOM 220 CA VAL A 15 5.267 -1.233 -10.990 1.00 0.00 C ATOM 221 C VAL A 15 6.682 -1.654 -10.587 1.00 0.00 C ATOM 222 O VAL A 15 6.971 -1.769 -9.398 1.00 0.00 O ATOM 223 CB VAL A 15 5.248 0.217 -11.529 1.00 0.00 C ATOM 224 CG1 VAL A 15 4.052 0.458 -12.459 1.00 0.00 C ATOM 225 CG2 VAL A 15 5.255 1.296 -10.430 1.00 0.00 C ATOM 0 H VAL A 15 4.899 -1.106 -8.955 1.00 0.00 H new ATOM 0 HA VAL A 15 4.910 -1.887 -11.786 1.00 0.00 H new ATOM 0 HB VAL A 15 6.180 0.314 -12.086 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.072 1.487 -12.818 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.108 -0.224 -13.308 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.125 0.282 -11.913 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.241 2.284 -10.890 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.375 1.177 -9.798 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.154 1.191 -9.823 1.00 0.00 H new ATOM 235 N ASP A 16 7.581 -1.818 -11.557 1.00 0.00 N ATOM 236 CA ASP A 16 9.012 -2.048 -11.368 1.00 0.00 C ATOM 237 C ASP A 16 9.220 -3.232 -10.423 1.00 0.00 C ATOM 238 O ASP A 16 10.042 -3.179 -9.510 1.00 0.00 O ATOM 239 CB ASP A 16 9.737 -0.753 -10.937 1.00 0.00 C ATOM 240 CG ASP A 16 9.761 0.351 -12.000 1.00 0.00 C ATOM 241 OD1 ASP A 16 9.549 0.069 -13.203 1.00 0.00 O ATOM 242 OD2 ASP A 16 10.031 1.523 -11.654 1.00 0.00 O ATOM 0 H ASP A 16 7.318 -1.793 -12.542 1.00 0.00 H new ATOM 0 HA ASP A 16 9.474 -2.321 -12.317 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.255 -0.364 -10.040 1.00 0.00 H new ATOM 0 HB3 ASP A 16 10.763 -1.000 -10.666 1.00 0.00 H new ATOM 247 N ILE A 17 8.454 -4.301 -10.654 1.00 0.00 N ATOM 248 CA ILE A 17 8.351 -5.516 -9.854 1.00 0.00 C ATOM 249 C ILE A 17 9.567 -6.395 -10.180 1.00 0.00 C ATOM 250 O ILE A 17 9.467 -7.436 -10.825 1.00 0.00 O ATOM 251 CB ILE A 17 6.985 -6.184 -10.160 1.00 0.00 C ATOM 252 CG1 ILE A 17 5.795 -5.194 -10.028 1.00 0.00 C ATOM 253 CG2 ILE A 17 6.712 -7.368 -9.219 1.00 0.00 C ATOM 254 CD1 ILE A 17 5.139 -4.936 -11.383 1.00 0.00 C ATOM 0 H ILE A 17 7.843 -4.339 -11.470 1.00 0.00 H new ATOM 0 HA ILE A 17 8.371 -5.326 -8.781 1.00 0.00 H new ATOM 0 HB ILE A 17 7.058 -6.527 -11.192 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.057 -5.598 -9.335 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.147 -4.253 -9.606 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.747 -7.811 -9.463 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.496 -8.116 -9.339 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.700 -7.017 -8.187 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.310 -4.240 -11.259 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.872 -4.509 -12.067 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.766 -5.875 -11.791 1.00 0.00 H new ATOM 266 N THR A 18 10.746 -5.896 -9.835 1.00 0.00 N ATOM 267 CA THR A 18 11.986 -6.663 -9.838 1.00 0.00 C ATOM 268 C THR A 18 12.026 -7.577 -8.597 1.00 0.00 C ATOM 269 O THR A 18 11.311 -7.374 -7.618 1.00 0.00 O ATOM 270 CB THR A 18 13.172 -5.679 -9.956 1.00 0.00 C ATOM 271 OG1 THR A 18 14.427 -6.325 -10.097 1.00 0.00 O ATOM 272 CG2 THR A 18 13.258 -4.697 -8.783 1.00 0.00 C ATOM 0 H THR A 18 10.871 -4.928 -9.539 1.00 0.00 H new ATOM 0 HA THR A 18 12.053 -7.332 -10.696 1.00 0.00 H new ATOM 0 HB THR A 18 12.959 -5.124 -10.869 1.00 0.00 H new ATOM 0 HG1 THR A 18 15.135 -5.652 -10.168 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.111 -4.034 -8.926 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.343 -4.106 -8.735 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.381 -5.251 -7.853 1.00 0.00 H new ATOM 280 N ASP A 19 12.919 -8.569 -8.593 1.00 0.00 N ATOM 281 CA ASP A 19 13.118 -9.503 -7.475 1.00 0.00 C ATOM 282 C ASP A 19 13.882 -8.859 -6.303 1.00 0.00 C ATOM 283 O ASP A 19 14.340 -9.560 -5.396 1.00 0.00 O ATOM 284 CB ASP A 19 13.905 -10.743 -7.930 1.00 0.00 C ATOM 285 CG ASP A 19 13.529 -11.279 -9.305 1.00 0.00 C ATOM 286 OD1 ASP A 19 14.168 -10.811 -10.276 1.00 0.00 O ATOM 287 OD2 ASP A 19 12.705 -12.213 -9.420 1.00 0.00 O ATOM 0 H ASP A 19 13.539 -8.752 -9.382 1.00 0.00 H new ATOM 0 HA ASP A 19 12.121 -9.785 -7.137 1.00 0.00 H new ATOM 0 HB2 ASP A 19 14.968 -10.500 -7.930 1.00 0.00 H new ATOM 0 HB3 ASP A 19 13.760 -11.536 -7.196 1.00 0.00 H new ATOM 292 N SER A 20 14.132 -7.547 -6.353 1.00 0.00 N ATOM 293 CA SER A 20 15.036 -6.851 -5.446 1.00 0.00 C ATOM 294 C SER A 20 14.386 -5.693 -4.702 1.00 0.00 C ATOM 295 O SER A 20 14.964 -5.178 -3.743 1.00 0.00 O ATOM 296 CB SER A 20 16.255 -6.384 -6.246 1.00 0.00 C ATOM 297 OG SER A 20 15.920 -5.272 -7.056 1.00 0.00 O ATOM 0 H SER A 20 13.700 -6.931 -7.041 1.00 0.00 H new ATOM 0 HA SER A 20 15.335 -7.551 -4.666 1.00 0.00 H new ATOM 0 HB2 SER A 20 17.063 -6.115 -5.565 1.00 0.00 H new ATOM 0 HB3 SER A 20 16.622 -7.199 -6.870 1.00 0.00 H new ATOM 0 HG SER A 20 16.710 -4.984 -7.560 1.00 0.00 H new ATOM 303 N SER A 21 13.210 -5.269 -5.144 1.00 0.00 N ATOM 304 CA SER A 21 12.424 -4.156 -4.651 1.00 0.00 C ATOM 305 C SER A 21 11.096 -4.141 -5.407 1.00 0.00 C ATOM 306 O SER A 21 11.016 -4.716 -6.487 1.00 0.00 O ATOM 307 CB SER A 21 13.184 -2.824 -4.824 1.00 0.00 C ATOM 308 OG SER A 21 13.991 -2.769 -5.998 1.00 0.00 O ATOM 0 H SER A 21 12.746 -5.737 -5.922 1.00 0.00 H new ATOM 0 HA SER A 21 12.237 -4.274 -3.584 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.464 -2.007 -4.851 1.00 0.00 H new ATOM 0 HB3 SER A 21 13.817 -2.662 -3.952 1.00 0.00 H new ATOM 0 HG SER A 21 14.441 -1.900 -6.045 1.00 0.00 H new ATOM 314 N ILE A 22 10.069 -3.476 -4.876 1.00 0.00 N ATOM 315 CA ILE A 22 8.777 -3.357 -5.572 1.00 0.00 C ATOM 316 C ILE A 22 8.386 -1.887 -5.592 1.00 0.00 C ATOM 317 O ILE A 22 8.523 -1.194 -4.580 1.00 0.00 O ATOM 318 CB ILE A 22 7.738 -4.325 -4.949 1.00 0.00 C ATOM 319 CG1 ILE A 22 6.859 -5.075 -5.968 1.00 0.00 C ATOM 320 CG2 ILE A 22 6.868 -3.725 -3.837 1.00 0.00 C ATOM 321 CD1 ILE A 22 5.596 -4.349 -6.437 1.00 0.00 C ATOM 0 H ILE A 22 10.102 -3.011 -3.969 1.00 0.00 H new ATOM 0 HA ILE A 22 8.837 -3.673 -6.613 1.00 0.00 H new ATOM 0 HB ILE A 22 8.389 -5.061 -4.478 1.00 0.00 H new ATOM 0 HG12 ILE A 22 7.468 -5.303 -6.843 1.00 0.00 H new ATOM 0 HG13 ILE A 22 6.563 -6.028 -5.529 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.175 -4.482 -3.469 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.505 -3.387 -3.019 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.305 -2.879 -4.232 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.061 -4.975 -7.151 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.954 -4.145 -5.580 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.873 -3.409 -6.915 1.00 0.00 H new ATOM 333 N GLY A 23 7.962 -1.381 -6.747 1.00 0.00 N ATOM 334 CA GLY A 23 7.525 -0.009 -6.907 1.00 0.00 C ATOM 335 C GLY A 23 6.013 0.081 -6.757 1.00 0.00 C ATOM 336 O GLY A 23 5.266 -0.849 -7.063 1.00 0.00 O ATOM 0 H GLY A 23 7.914 -1.926 -7.608 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.010 0.624 -6.164 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.824 0.364 -7.887 1.00 0.00 H new ATOM 340 N LEU A 24 5.548 1.245 -6.325 1.00 0.00 N ATOM 341 CA LEU A 24 4.139 1.578 -6.184 1.00 0.00 C ATOM 342 C LEU A 24 3.866 2.891 -6.874 1.00 0.00 C ATOM 343 O LEU A 24 4.741 3.756 -6.914 1.00 0.00 O ATOM 344 CB LEU A 24 3.766 1.789 -4.722 1.00 0.00 C ATOM 345 CG LEU A 24 3.932 0.536 -3.856 1.00 0.00 C ATOM 346 CD1 LEU A 24 5.177 0.657 -2.985 1.00 0.00 C ATOM 347 CD2 LEU A 24 2.709 0.363 -2.961 1.00 0.00 C ATOM 0 H LEU A 24 6.165 2.011 -6.053 1.00 0.00 H new ATOM 0 HA LEU A 24 3.566 0.755 -6.611 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.383 2.588 -4.311 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.730 2.124 -4.665 1.00 0.00 H new ATOM 0 HG LEU A 24 4.035 -0.329 -4.511 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.283 -0.240 -2.375 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.056 0.770 -3.620 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.084 1.528 -2.336 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.831 -0.529 -2.347 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.603 1.236 -2.316 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.817 0.259 -3.579 1.00 0.00 H new ATOM 359 N ARG A 25 2.617 3.089 -7.283 1.00 0.00 N ATOM 360 CA ARG A 25 2.102 4.353 -7.755 1.00 0.00 C ATOM 361 C ARG A 25 0.699 4.529 -7.203 1.00 0.00 C ATOM 362 O ARG A 25 0.008 3.539 -6.968 1.00 0.00 O ATOM 363 CB ARG A 25 2.103 4.294 -9.281 1.00 0.00 C ATOM 364 CG ARG A 25 1.924 5.669 -9.921 1.00 0.00 C ATOM 365 CD ARG A 25 2.098 5.471 -11.422 1.00 0.00 C ATOM 366 NE ARG A 25 2.347 6.737 -12.113 1.00 0.00 N ATOM 367 CZ ARG A 25 2.992 6.846 -13.275 1.00 0.00 C ATOM 368 NH1 ARG A 25 3.329 5.760 -13.959 1.00 0.00 N ATOM 369 NH2 ARG A 25 3.299 8.043 -13.744 1.00 0.00 N ATOM 0 H ARG A 25 1.919 2.345 -7.292 1.00 0.00 H new ATOM 0 HA ARG A 25 2.704 5.200 -7.427 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.041 3.857 -9.624 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.303 3.634 -9.616 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.939 6.077 -9.695 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.658 6.376 -9.535 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.928 4.788 -11.605 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.204 5.003 -11.833 1.00 0.00 H new ATOM 0 HE ARG A 25 2.004 7.593 -11.677 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.095 4.836 -13.596 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.822 5.849 -14.847 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.043 8.878 -13.218 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.792 8.132 -14.632 1.00 0.00 H new ATOM 383 N TRP A 26 0.270 5.768 -7.011 1.00 0.00 N ATOM 384 CA TRP A 26 -1.116 6.147 -6.790 1.00 0.00 C ATOM 385 C TRP A 26 -1.260 7.636 -7.137 1.00 0.00 C ATOM 386 O TRP A 26 -0.410 8.212 -7.821 1.00 0.00 O ATOM 387 CB TRP A 26 -1.556 5.744 -5.365 1.00 0.00 C ATOM 388 CG TRP A 26 -0.766 6.310 -4.228 1.00 0.00 C ATOM 389 CD1 TRP A 26 -1.023 7.480 -3.601 1.00 0.00 C ATOM 390 CD2 TRP A 26 0.380 5.724 -3.532 1.00 0.00 C ATOM 391 NE1 TRP A 26 -0.102 7.677 -2.603 1.00 0.00 N ATOM 392 CE2 TRP A 26 0.811 6.649 -2.538 1.00 0.00 C ATOM 393 CE3 TRP A 26 1.075 4.494 -3.592 1.00 0.00 C ATOM 394 CZ2 TRP A 26 1.900 6.392 -1.695 1.00 0.00 C ATOM 395 CZ3 TRP A 26 2.180 4.239 -2.760 1.00 0.00 C ATOM 396 CH2 TRP A 26 2.616 5.189 -1.829 1.00 0.00 C ATOM 0 H TRP A 26 0.904 6.567 -7.005 1.00 0.00 H new ATOM 0 HA TRP A 26 -1.805 5.610 -7.442 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -2.597 6.039 -5.235 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -1.522 4.657 -5.294 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -1.829 8.155 -3.848 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -0.095 8.488 -1.984 1.00 0.00 H new ATOM 0 HE3 TRP A 26 0.751 3.736 -4.290 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 2.188 7.114 -0.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 2.700 3.296 -2.841 1.00 0.00 H new ATOM 0 HH2 TRP A 26 3.490 5.001 -1.222 1.00 0.00 H new ATOM 407 N THR A 27 -2.362 8.258 -6.729 1.00 0.00 N ATOM 408 CA THR A 27 -2.661 9.679 -6.898 1.00 0.00 C ATOM 409 C THR A 27 -2.663 10.320 -5.501 1.00 0.00 C ATOM 410 O THR A 27 -3.510 9.960 -4.685 1.00 0.00 O ATOM 411 CB THR A 27 -3.967 9.865 -7.694 1.00 0.00 C ATOM 412 OG1 THR A 27 -3.697 9.734 -9.079 1.00 0.00 O ATOM 413 CG2 THR A 27 -4.620 11.241 -7.523 1.00 0.00 C ATOM 0 H THR A 27 -3.110 7.760 -6.246 1.00 0.00 H new ATOM 0 HA THR A 27 -1.904 10.189 -7.494 1.00 0.00 H new ATOM 0 HB THR A 27 -4.646 9.105 -7.307 1.00 0.00 H new ATOM 0 HG1 THR A 27 -4.527 9.850 -9.587 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.533 11.287 -8.117 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.862 11.401 -6.472 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.930 12.015 -7.858 1.00 0.00 H new ATOM 421 N PRO A 28 -1.640 11.117 -5.139 1.00 0.00 N ATOM 422 CA PRO A 28 -1.510 11.662 -3.795 1.00 0.00 C ATOM 423 C PRO A 28 -2.559 12.744 -3.514 1.00 0.00 C ATOM 424 O PRO A 28 -2.646 13.769 -4.190 1.00 0.00 O ATOM 425 CB PRO A 28 -0.094 12.225 -3.726 1.00 0.00 C ATOM 426 CG PRO A 28 0.232 12.577 -5.174 1.00 0.00 C ATOM 427 CD PRO A 28 -0.541 11.547 -5.984 1.00 0.00 C ATOM 0 HA PRO A 28 -1.679 10.897 -3.037 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -0.044 13.102 -3.081 1.00 0.00 H new ATOM 0 HB3 PRO A 28 0.608 11.494 -3.325 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -0.079 13.593 -5.418 1.00 0.00 H new ATOM 0 HG3 PRO A 28 1.303 12.516 -5.369 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.910 11.979 -6.914 1.00 0.00 H new ATOM 0 HD3 PRO A 28 0.096 10.705 -6.254 1.00 0.00 H new ATOM 435 N LEU A 29 -3.317 12.525 -2.441 1.00 0.00 N ATOM 436 CA LEU A 29 -4.415 13.365 -1.981 1.00 0.00 C ATOM 437 C LEU A 29 -3.862 14.296 -0.916 1.00 0.00 C ATOM 438 O LEU A 29 -3.682 13.884 0.221 1.00 0.00 O ATOM 439 CB LEU A 29 -5.605 12.519 -1.455 1.00 0.00 C ATOM 440 CG LEU A 29 -6.011 11.361 -2.388 1.00 0.00 C ATOM 441 CD1 LEU A 29 -6.568 10.141 -1.654 1.00 0.00 C ATOM 442 CD2 LEU A 29 -7.016 11.827 -3.447 1.00 0.00 C ATOM 0 H LEU A 29 -3.172 11.714 -1.840 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.817 13.947 -2.810 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.344 12.111 -0.479 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.465 13.172 -1.308 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.086 11.046 -2.870 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.831 9.370 -2.378 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.815 9.754 -0.968 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.456 10.429 -1.092 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.283 10.988 -4.090 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.912 12.207 -2.956 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.569 12.618 -4.050 1.00 0.00 H new ATOM 454 N ASN A 30 -3.584 15.557 -1.281 1.00 0.00 N ATOM 455 CA ASN A 30 -3.066 16.570 -0.349 1.00 0.00 C ATOM 456 C ASN A 30 -4.209 17.163 0.485 1.00 0.00 C ATOM 457 O ASN A 30 -4.321 18.386 0.631 1.00 0.00 O ATOM 458 CB ASN A 30 -2.295 17.686 -1.081 1.00 0.00 C ATOM 459 CG ASN A 30 -0.987 17.226 -1.689 1.00 0.00 C ATOM 460 OD1 ASN A 30 0.078 17.627 -1.247 1.00 0.00 O ATOM 461 ND2 ASN A 30 -1.012 16.421 -2.734 1.00 0.00 N ATOM 0 H ASN A 30 -3.712 15.903 -2.232 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.362 16.072 0.318 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.927 18.095 -1.869 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.094 18.496 -0.380 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -0.139 16.131 -3.176 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.904 16.088 -3.100 1.00 0.00 H new ATOM 468 N SER A 31 -5.139 16.319 0.930 1.00 0.00 N ATOM 469 CA SER A 31 -6.474 16.727 1.349 1.00 0.00 C ATOM 470 C SER A 31 -6.503 17.736 2.503 1.00 0.00 C ATOM 471 O SER A 31 -7.381 18.600 2.469 1.00 0.00 O ATOM 472 CB SER A 31 -7.244 15.452 1.673 1.00 0.00 C ATOM 473 OG SER A 31 -7.527 14.846 0.425 1.00 0.00 O ATOM 0 H SER A 31 -4.980 15.315 1.010 1.00 0.00 H new ATOM 0 HA SER A 31 -6.945 17.278 0.535 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.654 14.789 2.305 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.162 15.677 2.216 1.00 0.00 H new ATOM 0 HG SER A 31 -8.024 14.014 0.571 1.00 0.00 H new ATOM 479 N SER A 32 -5.582 17.656 3.476 1.00 0.00 N ATOM 480 CA SER A 32 -5.344 18.576 4.604 1.00 0.00 C ATOM 481 C SER A 32 -4.684 17.797 5.745 1.00 0.00 C ATOM 482 O SER A 32 -3.493 17.492 5.705 1.00 0.00 O ATOM 483 CB SER A 32 -6.603 19.343 5.080 1.00 0.00 C ATOM 484 OG SER A 32 -7.736 18.488 5.179 1.00 0.00 O ATOM 0 H SER A 32 -4.925 16.876 3.497 1.00 0.00 H new ATOM 0 HA SER A 32 -4.676 19.361 4.250 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.406 19.799 6.050 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.819 20.154 4.385 1.00 0.00 H new ATOM 0 HG SER A 32 -8.110 18.336 4.286 1.00 0.00 H new ATOM 490 N THR A 33 -5.507 17.385 6.707 1.00 0.00 N ATOM 491 CA THR A 33 -5.162 16.769 7.981 1.00 0.00 C ATOM 492 C THR A 33 -4.826 15.269 7.743 1.00 0.00 C ATOM 493 O THR A 33 -4.470 14.539 8.671 1.00 0.00 O ATOM 494 CB THR A 33 -6.378 17.063 8.896 1.00 0.00 C ATOM 495 OG1 THR A 33 -6.069 18.140 9.749 1.00 0.00 O ATOM 496 CG2 THR A 33 -6.768 15.967 9.879 1.00 0.00 C ATOM 0 H THR A 33 -6.517 17.483 6.604 1.00 0.00 H new ATOM 0 HA THR A 33 -4.268 17.160 8.467 1.00 0.00 H new ATOM 0 HB THR A 33 -7.186 17.219 8.182 1.00 0.00 H new ATOM 0 HG1 THR A 33 -6.837 18.330 10.328 1.00 0.00 H new ATOM 0 HG21 THR A 33 -7.631 16.291 10.461 1.00 0.00 H new ATOM 0 HG22 THR A 33 -7.020 15.059 9.331 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.933 15.765 10.549 1.00 0.00 H new ATOM 504 N ILE A 34 -4.982 14.790 6.499 1.00 0.00 N ATOM 505 CA ILE A 34 -4.536 13.506 5.967 1.00 0.00 C ATOM 506 C ILE A 34 -3.158 13.146 6.539 1.00 0.00 C ATOM 507 O ILE A 34 -2.230 13.966 6.494 1.00 0.00 O ATOM 508 CB ILE A 34 -4.682 13.537 4.437 1.00 0.00 C ATOM 509 CG1 ILE A 34 -4.807 12.137 3.814 1.00 0.00 C ATOM 510 CG2 ILE A 34 -3.684 14.449 3.735 1.00 0.00 C ATOM 511 CD1 ILE A 34 -3.540 11.350 3.464 1.00 0.00 C ATOM 0 H ILE A 34 -5.463 15.340 5.787 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.159 12.672 6.290 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.644 14.015 4.251 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.392 11.525 4.501 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.392 12.238 2.900 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.854 14.414 2.659 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.813 15.471 4.090 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.670 14.115 3.953 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.817 10.387 3.035 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.950 11.913 2.741 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.950 11.189 4.367 1.00 0.00 H new ATOM 523 N ILE A 35 -3.036 11.960 7.141 1.00 0.00 N ATOM 524 CA ILE A 35 -1.859 11.623 7.934 1.00 0.00 C ATOM 525 C ILE A 35 -0.792 11.122 6.972 1.00 0.00 C ATOM 526 O ILE A 35 0.286 11.708 6.910 1.00 0.00 O ATOM 527 CB ILE A 35 -2.199 10.562 8.994 1.00 0.00 C ATOM 528 CG1 ILE A 35 -3.188 11.110 10.046 1.00 0.00 C ATOM 529 CG2 ILE A 35 -0.951 10.046 9.725 1.00 0.00 C ATOM 530 CD1 ILE A 35 -4.454 10.261 10.056 1.00 0.00 C ATOM 0 H ILE A 35 -3.738 11.221 7.093 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.496 12.498 8.474 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.657 9.737 8.449 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.725 11.101 11.033 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.436 12.147 9.820 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.244 9.299 10.463 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.268 9.596 9.005 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.454 10.876 10.227 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.148 10.652 10.800 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.921 10.293 9.072 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.199 9.231 10.304 1.00 0.00 H new ATOM 542 N GLY A 36 -1.098 10.073 6.215 1.00 0.00 N ATOM 543 CA GLY A 36 -0.151 9.459 5.310 1.00 0.00 C ATOM 544 C GLY A 36 -0.811 8.266 4.648 1.00 0.00 C ATOM 545 O GLY A 36 -2.042 8.164 4.595 1.00 0.00 O ATOM 0 H GLY A 36 -2.016 9.628 6.217 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.172 10.178 4.557 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.740 9.144 5.853 1.00 0.00 H new ATOM 549 N TYR A 37 0.020 7.354 4.156 1.00 0.00 N ATOM 550 CA TYR A 37 -0.412 6.069 3.644 1.00 0.00 C ATOM 551 C TYR A 37 0.500 5.047 4.327 1.00 0.00 C ATOM 552 O TYR A 37 1.697 5.292 4.481 1.00 0.00 O ATOM 553 CB TYR A 37 -0.325 6.032 2.094 1.00 0.00 C ATOM 554 CG TYR A 37 -0.646 7.333 1.354 1.00 0.00 C ATOM 555 CD1 TYR A 37 0.304 8.368 1.220 1.00 0.00 C ATOM 556 CD2 TYR A 37 -1.927 7.516 0.810 1.00 0.00 C ATOM 557 CE1 TYR A 37 -0.042 9.582 0.593 1.00 0.00 C ATOM 558 CE2 TYR A 37 -2.291 8.726 0.195 1.00 0.00 C ATOM 559 CZ TYR A 37 -1.353 9.775 0.101 1.00 0.00 C ATOM 560 OH TYR A 37 -1.719 10.960 -0.464 1.00 0.00 O ATOM 0 H TYR A 37 1.029 7.494 4.103 1.00 0.00 H new ATOM 0 HA TYR A 37 -1.458 5.854 3.863 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.683 5.724 1.818 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -1.005 5.260 1.734 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.305 8.229 1.601 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -2.646 6.712 0.865 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.695 10.365 0.488 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -3.286 8.852 -0.205 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.939 11.376 -0.886 1.00 0.00 H new ATOM 570 N ARG A 38 -0.064 3.936 4.787 1.00 0.00 N ATOM 571 CA ARG A 38 0.626 2.877 5.506 1.00 0.00 C ATOM 572 C ARG A 38 0.750 1.692 4.567 1.00 0.00 C ATOM 573 O ARG A 38 -0.271 1.076 4.252 1.00 0.00 O ATOM 574 CB ARG A 38 -0.178 2.520 6.766 1.00 0.00 C ATOM 575 CG ARG A 38 0.351 1.278 7.510 1.00 0.00 C ATOM 576 CD ARG A 38 -0.716 0.177 7.573 1.00 0.00 C ATOM 577 NE ARG A 38 -0.338 -0.859 8.544 1.00 0.00 N ATOM 578 CZ ARG A 38 -1.005 -1.985 8.803 1.00 0.00 C ATOM 579 NH1 ARG A 38 -2.197 -2.215 8.258 1.00 0.00 N ATOM 580 NH2 ARG A 38 -0.468 -2.888 9.610 1.00 0.00 N ATOM 0 H ARG A 38 -1.058 3.743 4.662 1.00 0.00 H new ATOM 0 HA ARG A 38 1.621 3.187 5.825 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.167 3.372 7.446 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.218 2.349 6.486 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.240 0.899 7.006 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.652 1.556 8.520 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.677 0.610 7.852 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.842 -0.271 6.587 1.00 0.00 H new ATOM 0 HE ARG A 38 0.520 -0.702 9.073 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.613 -1.525 7.632 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.694 -3.081 8.466 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.447 -2.719 10.027 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.970 -3.752 9.814 1.00 0.00 H new ATOM 594 N ILE A 39 1.959 1.369 4.119 1.00 0.00 N ATOM 595 CA ILE A 39 2.203 0.136 3.388 1.00 0.00 C ATOM 596 C ILE A 39 2.480 -0.956 4.425 1.00 0.00 C ATOM 597 O ILE A 39 2.893 -0.703 5.556 1.00 0.00 O ATOM 598 CB ILE A 39 3.302 0.327 2.306 1.00 0.00 C ATOM 599 CG1 ILE A 39 2.762 1.170 1.123 1.00 0.00 C ATOM 600 CG2 ILE A 39 3.782 -1.002 1.689 1.00 0.00 C ATOM 601 CD1 ILE A 39 2.769 2.683 1.346 1.00 0.00 C ATOM 0 H ILE A 39 2.787 1.949 4.252 1.00 0.00 H new ATOM 0 HA ILE A 39 1.336 -0.174 2.805 1.00 0.00 H new ATOM 0 HB ILE A 39 4.127 0.816 2.824 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.356 0.947 0.237 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.741 0.855 0.909 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.549 -0.800 0.941 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.197 -1.638 2.471 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.940 -1.509 1.218 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.373 3.183 0.462 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.149 2.926 2.209 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.790 3.019 1.526 1.00 0.00 H new ATOM 613 N THR A 40 2.208 -2.198 4.070 1.00 0.00 N ATOM 614 CA THR A 40 2.494 -3.413 4.808 1.00 0.00 C ATOM 615 C THR A 40 2.846 -4.462 3.759 1.00 0.00 C ATOM 616 O THR A 40 2.299 -4.449 2.656 1.00 0.00 O ATOM 617 CB THR A 40 1.243 -3.782 5.621 1.00 0.00 C ATOM 618 OG1 THR A 40 1.007 -2.776 6.579 1.00 0.00 O ATOM 619 CG2 THR A 40 1.346 -5.112 6.371 1.00 0.00 C ATOM 0 H THR A 40 1.743 -2.399 3.185 1.00 0.00 H new ATOM 0 HA THR A 40 3.319 -3.318 5.514 1.00 0.00 H new ATOM 0 HB THR A 40 0.435 -3.878 4.896 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.037 -3.166 7.477 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.421 -5.294 6.918 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.511 -5.920 5.658 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.180 -5.071 7.072 1.00 0.00 H new ATOM 627 N VAL A 41 3.726 -5.391 4.092 1.00 0.00 N ATOM 628 CA VAL A 41 4.007 -6.559 3.278 1.00 0.00 C ATOM 629 C VAL A 41 4.025 -7.795 4.140 1.00 0.00 C ATOM 630 O VAL A 41 4.668 -7.839 5.196 1.00 0.00 O ATOM 631 CB VAL A 41 5.246 -6.426 2.364 1.00 0.00 C ATOM 632 CG1 VAL A 41 4.848 -6.545 0.900 1.00 0.00 C ATOM 633 CG2 VAL A 41 5.908 -5.029 2.424 1.00 0.00 C ATOM 0 H VAL A 41 4.274 -5.353 4.951 1.00 0.00 H new ATOM 0 HA VAL A 41 3.189 -6.652 2.564 1.00 0.00 H new ATOM 0 HB VAL A 41 5.919 -7.208 2.715 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.734 -6.449 0.273 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.385 -7.516 0.727 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.139 -5.755 0.650 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.771 -5.006 1.758 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.189 -4.272 2.112 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.231 -4.823 3.444 1.00 0.00 H new ATOM 643 N VAL A 42 3.284 -8.788 3.670 1.00 0.00 N ATOM 644 CA VAL A 42 3.291 -10.120 4.229 1.00 0.00 C ATOM 645 C VAL A 42 3.470 -11.096 3.060 1.00 0.00 C ATOM 646 O VAL A 42 3.233 -10.733 1.904 1.00 0.00 O ATOM 647 CB VAL A 42 2.031 -10.349 5.101 1.00 0.00 C ATOM 648 CG1 VAL A 42 1.555 -9.115 5.896 1.00 0.00 C ATOM 649 CG2 VAL A 42 0.845 -10.782 4.261 1.00 0.00 C ATOM 0 H VAL A 42 2.652 -8.683 2.876 1.00 0.00 H new ATOM 0 HA VAL A 42 4.118 -10.282 4.920 1.00 0.00 H new ATOM 0 HB VAL A 42 2.354 -11.119 5.801 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.669 -9.375 6.475 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.347 -8.790 6.571 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.313 -8.308 5.205 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.021 -10.934 4.905 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.619 -10.010 3.525 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.083 -11.714 3.748 1.00 0.00 H new ATOM 659 N ALA A 43 3.822 -12.339 3.364 1.00 0.00 N ATOM 660 CA ALA A 43 3.896 -13.417 2.394 1.00 0.00 C ATOM 661 C ALA A 43 2.504 -14.044 2.268 1.00 0.00 C ATOM 662 O ALA A 43 1.983 -14.631 3.224 1.00 0.00 O ATOM 663 CB ALA A 43 4.959 -14.410 2.849 1.00 0.00 C ATOM 0 H ALA A 43 4.068 -12.628 4.311 1.00 0.00 H new ATOM 0 HA ALA A 43 4.189 -13.061 1.406 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.026 -15.226 2.130 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.923 -13.906 2.917 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.689 -14.809 3.827 1.00 0.00 H new ATOM 669 N ALA A 44 1.874 -13.854 1.111 1.00 0.00 N ATOM 670 CA ALA A 44 0.569 -14.389 0.769 1.00 0.00 C ATOM 671 C ALA A 44 0.672 -15.910 0.673 1.00 0.00 C ATOM 672 O ALA A 44 1.255 -16.443 -0.273 1.00 0.00 O ATOM 673 CB ALA A 44 0.093 -13.779 -0.553 1.00 0.00 C ATOM 0 H ALA A 44 2.281 -13.299 0.358 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.161 -14.134 1.537 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.887 -14.182 -0.808 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.024 -12.696 -0.450 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.803 -14.024 -1.343 1.00 0.00 H new ATOM 708 N ILE A 48 2.291 -14.471 6.930 1.00 0.00 N ATOM 709 CA ILE A 48 3.531 -14.212 7.649 1.00 0.00 C ATOM 710 C ILE A 48 3.987 -12.772 7.353 1.00 0.00 C ATOM 711 O ILE A 48 4.358 -12.500 6.211 1.00 0.00 O ATOM 712 CB ILE A 48 4.539 -15.342 7.313 1.00 0.00 C ATOM 713 CG1 ILE A 48 4.214 -16.523 8.249 1.00 0.00 C ATOM 714 CG2 ILE A 48 6.008 -14.924 7.446 1.00 0.00 C ATOM 715 CD1 ILE A 48 5.019 -17.804 8.002 1.00 0.00 C ATOM 0 HA ILE A 48 3.417 -14.247 8.732 1.00 0.00 H new ATOM 0 HB ILE A 48 4.427 -15.613 6.263 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.379 -16.204 9.278 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.154 -16.757 8.154 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.651 -15.768 7.195 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.214 -14.096 6.767 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.206 -14.610 8.471 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.712 -18.570 8.714 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.837 -18.158 6.987 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.081 -17.596 8.129 1.00 0.00 H new ATOM 727 N PRO A 49 3.854 -11.823 8.306 1.00 0.00 N ATOM 728 CA PRO A 49 4.239 -10.449 8.065 1.00 0.00 C ATOM 729 C PRO A 49 5.761 -10.330 8.007 1.00 0.00 C ATOM 730 O PRO A 49 6.477 -10.912 8.829 1.00 0.00 O ATOM 731 CB PRO A 49 3.612 -9.631 9.196 1.00 0.00 C ATOM 732 CG PRO A 49 3.422 -10.627 10.338 1.00 0.00 C ATOM 733 CD PRO A 49 3.413 -12.009 9.680 1.00 0.00 C ATOM 0 HA PRO A 49 3.884 -10.076 7.104 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.260 -8.806 9.494 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.661 -9.195 8.889 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.228 -10.545 11.068 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.489 -10.440 10.870 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.076 -12.694 10.209 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.414 -12.445 9.710 1.00 0.00 H new ATOM 741 N ILE A 50 6.243 -9.548 7.044 1.00 0.00 N ATOM 742 CA ILE A 50 7.632 -9.143 6.962 1.00 0.00 C ATOM 743 C ILE A 50 7.717 -7.851 7.777 1.00 0.00 C ATOM 744 O ILE A 50 8.204 -7.866 8.905 1.00 0.00 O ATOM 745 CB ILE A 50 8.082 -9.057 5.483 1.00 0.00 C ATOM 746 CG1 ILE A 50 8.323 -10.455 4.861 1.00 0.00 C ATOM 747 CG2 ILE A 50 9.390 -8.279 5.318 1.00 0.00 C ATOM 748 CD1 ILE A 50 7.051 -11.228 4.508 1.00 0.00 C ATOM 0 H ILE A 50 5.665 -9.176 6.290 1.00 0.00 H new ATOM 0 HA ILE A 50 8.338 -9.858 7.384 1.00 0.00 H new ATOM 0 HB ILE A 50 7.264 -8.545 4.976 1.00 0.00 H new ATOM 0 HG12 ILE A 50 8.922 -10.337 3.958 1.00 0.00 H new ATOM 0 HG13 ILE A 50 8.912 -11.051 5.558 1.00 0.00 H new ATOM 0 HG21 ILE A 50 9.664 -8.247 4.263 1.00 0.00 H new ATOM 0 HG22 ILE A 50 9.258 -7.263 5.690 1.00 0.00 H new ATOM 0 HG23 ILE A 50 10.181 -8.773 5.883 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.319 -12.193 4.079 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.458 -11.383 5.409 1.00 0.00 H new ATOM 0 HD13 ILE A 50 6.468 -10.659 3.784 1.00 0.00 H new ATOM 760 N PHE A 51 7.195 -6.739 7.251 1.00 0.00 N ATOM 761 CA PHE A 51 7.228 -5.449 7.925 1.00 0.00 C ATOM 762 C PHE A 51 6.061 -4.583 7.462 1.00 0.00 C ATOM 763 O PHE A 51 5.248 -4.985 6.623 1.00 0.00 O ATOM 764 CB PHE A 51 8.604 -4.766 7.776 1.00 0.00 C ATOM 765 CG PHE A 51 8.841 -3.883 6.560 1.00 0.00 C ATOM 766 CD1 PHE A 51 8.558 -4.330 5.255 1.00 0.00 C ATOM 767 CD2 PHE A 51 9.405 -2.605 6.740 1.00 0.00 C ATOM 768 CE1 PHE A 51 8.820 -3.501 4.149 1.00 0.00 C ATOM 769 CE2 PHE A 51 9.683 -1.786 5.635 1.00 0.00 C ATOM 770 CZ PHE A 51 9.374 -2.223 4.338 1.00 0.00 C ATOM 0 H PHE A 51 6.736 -6.714 6.340 1.00 0.00 H new ATOM 0 HA PHE A 51 7.099 -5.603 8.996 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.773 -4.159 8.666 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.365 -5.547 7.774 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.138 -5.313 5.103 1.00 0.00 H new ATOM 0 HD2 PHE A 51 9.625 -2.252 7.737 1.00 0.00 H new ATOM 0 HE1 PHE A 51 8.595 -3.848 3.151 1.00 0.00 H new ATOM 0 HE2 PHE A 51 10.136 -0.817 5.783 1.00 0.00 H new ATOM 0 HZ PHE A 51 9.561 -1.581 3.490 1.00 0.00 H new ATOM 780 N GLU A 52 5.929 -3.417 8.076 1.00 0.00 N ATOM 781 CA GLU A 52 5.092 -2.330 7.590 1.00 0.00 C ATOM 782 C GLU A 52 5.895 -1.039 7.669 1.00 0.00 C ATOM 783 O GLU A 52 6.853 -0.944 8.443 1.00 0.00 O ATOM 784 CB GLU A 52 3.758 -2.265 8.353 1.00 0.00 C ATOM 785 CG GLU A 52 3.877 -1.858 9.821 1.00 0.00 C ATOM 786 CD GLU A 52 2.500 -1.942 10.474 1.00 0.00 C ATOM 787 OE1 GLU A 52 2.101 -3.053 10.915 1.00 0.00 O ATOM 788 OE2 GLU A 52 1.759 -0.931 10.510 1.00 0.00 O ATOM 0 H GLU A 52 6.412 -3.195 8.946 1.00 0.00 H new ATOM 0 HA GLU A 52 4.814 -2.499 6.550 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.101 -1.558 7.847 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.277 -3.242 8.299 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.579 -2.513 10.337 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.270 -0.844 9.900 1.00 0.00 H new ATOM 795 N ASP A 53 5.510 -0.059 6.863 1.00 0.00 N ATOM 796 CA ASP A 53 6.283 1.143 6.582 1.00 0.00 C ATOM 797 C ASP A 53 5.304 2.227 6.152 1.00 0.00 C ATOM 798 O ASP A 53 4.125 1.953 5.900 1.00 0.00 O ATOM 799 CB ASP A 53 7.327 0.856 5.487 1.00 0.00 C ATOM 800 CG ASP A 53 8.715 1.448 5.760 1.00 0.00 C ATOM 801 OD1 ASP A 53 9.091 1.654 6.945 1.00 0.00 O ATOM 802 OD2 ASP A 53 9.495 1.593 4.789 1.00 0.00 O ATOM 0 H ASP A 53 4.618 -0.080 6.369 1.00 0.00 H new ATOM 0 HA ASP A 53 6.830 1.474 7.465 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.423 -0.223 5.369 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.958 1.249 4.539 1.00 0.00 H new ATOM 807 N PHE A 54 5.763 3.468 6.125 1.00 0.00 N ATOM 808 CA PHE A 54 4.912 4.617 5.876 1.00 0.00 C ATOM 809 C PHE A 54 5.332 5.303 4.587 1.00 0.00 C ATOM 810 O PHE A 54 6.309 4.923 3.942 1.00 0.00 O ATOM 811 CB PHE A 54 4.950 5.547 7.099 1.00 0.00 C ATOM 812 CG PHE A 54 3.600 5.620 7.772 1.00 0.00 C ATOM 813 CD1 PHE A 54 3.107 4.495 8.462 1.00 0.00 C ATOM 814 CD2 PHE A 54 2.822 6.787 7.684 1.00 0.00 C ATOM 815 CE1 PHE A 54 1.841 4.537 9.063 1.00 0.00 C ATOM 816 CE2 PHE A 54 1.562 6.833 8.297 1.00 0.00 C ATOM 817 CZ PHE A 54 1.072 5.707 8.980 1.00 0.00 C ATOM 0 H PHE A 54 6.743 3.706 6.276 1.00 0.00 H new ATOM 0 HA PHE A 54 3.876 4.308 5.737 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.694 5.188 7.809 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.260 6.545 6.790 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.705 3.598 8.528 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.194 7.646 7.146 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.460 3.673 9.587 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.968 7.734 8.244 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.097 5.743 9.444 1.00 0.00 H new ATOM 827 N VAL A 55 4.580 6.315 4.176 1.00 0.00 N ATOM 828 CA VAL A 55 5.096 7.339 3.303 1.00 0.00 C ATOM 829 C VAL A 55 4.833 8.707 3.936 1.00 0.00 C ATOM 830 O VAL A 55 4.185 8.815 4.975 1.00 0.00 O ATOM 831 CB VAL A 55 4.500 7.152 1.892 1.00 0.00 C ATOM 832 CG1 VAL A 55 5.575 6.675 0.912 1.00 0.00 C ATOM 833 CG2 VAL A 55 3.314 6.187 1.805 1.00 0.00 C ATOM 0 H VAL A 55 3.603 6.441 4.441 1.00 0.00 H new ATOM 0 HA VAL A 55 6.176 7.266 3.179 1.00 0.00 H new ATOM 0 HB VAL A 55 4.122 8.140 1.630 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.135 6.549 -0.077 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.375 7.413 0.862 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.981 5.723 1.253 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.969 6.126 0.773 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.624 5.198 2.143 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.503 6.549 2.437 1.00 0.00 H new ATOM 843 N ASP A 56 5.215 9.753 3.207 1.00 0.00 N ATOM 844 CA ASP A 56 5.341 11.122 3.685 1.00 0.00 C ATOM 845 C ASP A 56 4.011 11.717 4.145 1.00 0.00 C ATOM 846 O ASP A 56 3.827 12.005 5.325 1.00 0.00 O ATOM 847 CB ASP A 56 5.906 11.951 2.527 1.00 0.00 C ATOM 848 CG ASP A 56 6.434 13.317 2.944 1.00 0.00 C ATOM 849 OD1 ASP A 56 5.751 14.019 3.721 1.00 0.00 O ATOM 850 OD2 ASP A 56 7.561 13.638 2.478 1.00 0.00 O ATOM 0 H ASP A 56 5.456 9.661 2.220 1.00 0.00 H new ATOM 0 HA ASP A 56 5.996 11.133 4.556 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.711 11.391 2.052 1.00 0.00 H new ATOM 0 HB3 ASP A 56 5.127 12.087 1.777 1.00 0.00 H new ATOM 855 N SER A 57 3.107 11.925 3.179 1.00 0.00 N ATOM 856 CA SER A 57 1.888 12.718 3.206 1.00 0.00 C ATOM 857 C SER A 57 1.440 13.221 1.836 1.00 0.00 C ATOM 858 O SER A 57 0.240 13.457 1.677 1.00 0.00 O ATOM 859 CB SER A 57 1.909 13.854 4.248 1.00 0.00 C ATOM 860 OG SER A 57 2.970 14.780 4.068 1.00 0.00 O ATOM 0 H SER A 57 3.233 11.492 2.264 1.00 0.00 H new ATOM 0 HA SER A 57 1.128 12.008 3.533 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.961 14.390 4.206 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.985 13.419 5.244 1.00 0.00 H new ATOM 0 HG SER A 57 3.814 14.294 3.958 1.00 0.00 H new ATOM 866 N SER A 58 2.310 13.292 0.822 1.00 0.00 N ATOM 867 CA SER A 58 1.856 13.536 -0.552 1.00 0.00 C ATOM 868 C SER A 58 2.663 12.735 -1.577 1.00 0.00 C ATOM 869 O SER A 58 2.736 13.091 -2.757 1.00 0.00 O ATOM 870 CB SER A 58 1.764 15.037 -0.860 1.00 0.00 C ATOM 871 OG SER A 58 3.020 15.655 -1.030 1.00 0.00 O ATOM 0 H SER A 58 3.319 13.186 0.924 1.00 0.00 H new ATOM 0 HA SER A 58 0.837 13.158 -0.639 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.173 15.178 -1.765 1.00 0.00 H new ATOM 0 HB3 SER A 58 1.230 15.534 -0.050 1.00 0.00 H new ATOM 0 HG SER A 58 2.892 16.607 -1.225 1.00 0.00 H new ATOM 877 N VAL A 59 3.226 11.603 -1.152 1.00 0.00 N ATOM 878 CA VAL A 59 3.973 10.750 -2.075 1.00 0.00 C ATOM 879 C VAL A 59 2.945 10.057 -2.969 1.00 0.00 C ATOM 880 O VAL A 59 1.950 9.553 -2.456 1.00 0.00 O ATOM 881 CB VAL A 59 4.808 9.721 -1.289 1.00 0.00 C ATOM 882 CG1 VAL A 59 5.357 8.606 -2.182 1.00 0.00 C ATOM 883 CG2 VAL A 59 6.024 10.393 -0.651 1.00 0.00 C ATOM 0 H VAL A 59 3.181 11.261 -0.192 1.00 0.00 H new ATOM 0 HA VAL A 59 4.669 11.333 -2.678 1.00 0.00 H new ATOM 0 HB VAL A 59 4.132 9.303 -0.543 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.937 7.909 -1.578 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.529 8.076 -2.653 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.996 9.038 -2.952 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.602 9.651 -0.100 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.647 10.833 -1.430 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.691 11.174 0.032 1.00 0.00 H new ATOM 893 N GLY A 60 3.186 10.048 -4.285 1.00 0.00 N ATOM 894 CA GLY A 60 2.387 9.356 -5.296 1.00 0.00 C ATOM 895 C GLY A 60 3.109 8.175 -5.943 1.00 0.00 C ATOM 896 O GLY A 60 2.524 7.486 -6.772 1.00 0.00 O ATOM 0 H GLY A 60 3.979 10.546 -4.690 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.465 9.000 -4.837 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.103 10.067 -6.072 1.00 0.00 H new ATOM 900 N TYR A 61 4.370 7.946 -5.584 1.00 0.00 N ATOM 901 CA TYR A 61 5.228 6.892 -6.117 1.00 0.00 C ATOM 902 C TYR A 61 6.217 6.512 -5.015 1.00 0.00 C ATOM 903 O TYR A 61 6.920 7.393 -4.516 1.00 0.00 O ATOM 904 CB TYR A 61 5.974 7.386 -7.360 1.00 0.00 C ATOM 905 CG TYR A 61 6.502 6.256 -8.222 1.00 0.00 C ATOM 906 CD1 TYR A 61 7.623 5.500 -7.827 1.00 0.00 C ATOM 907 CD2 TYR A 61 5.841 5.937 -9.420 1.00 0.00 C ATOM 908 CE1 TYR A 61 8.097 4.453 -8.639 1.00 0.00 C ATOM 909 CE2 TYR A 61 6.307 4.891 -10.228 1.00 0.00 C ATOM 910 CZ TYR A 61 7.455 4.154 -9.863 1.00 0.00 C ATOM 911 OH TYR A 61 7.915 3.182 -10.705 1.00 0.00 O ATOM 0 H TYR A 61 4.842 8.516 -4.882 1.00 0.00 H new ATOM 0 HA TYR A 61 4.635 6.028 -6.415 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.305 8.008 -7.955 1.00 0.00 H new ATOM 0 HB3 TYR A 61 6.806 8.019 -7.050 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.121 5.725 -6.896 1.00 0.00 H new ATOM 0 HD2 TYR A 61 4.970 6.500 -9.720 1.00 0.00 H new ATOM 0 HE1 TYR A 61 8.954 3.876 -8.326 1.00 0.00 H new ATOM 0 HE2 TYR A 61 5.782 4.646 -11.140 1.00 0.00 H new ATOM 0 HH TYR A 61 8.865 3.019 -10.528 1.00 0.00 H new ATOM 921 N TYR A 62 6.277 5.247 -4.606 1.00 0.00 N ATOM 922 CA TYR A 62 7.139 4.764 -3.517 1.00 0.00 C ATOM 923 C TYR A 62 7.798 3.461 -3.967 1.00 0.00 C ATOM 924 O TYR A 62 7.377 2.863 -4.960 1.00 0.00 O ATOM 925 CB TYR A 62 6.301 4.676 -2.222 1.00 0.00 C ATOM 926 CG TYR A 62 6.836 3.889 -1.026 1.00 0.00 C ATOM 927 CD1 TYR A 62 8.104 4.158 -0.466 1.00 0.00 C ATOM 928 CD2 TYR A 62 6.011 2.934 -0.399 1.00 0.00 C ATOM 929 CE1 TYR A 62 8.561 3.434 0.653 1.00 0.00 C ATOM 930 CE2 TYR A 62 6.468 2.189 0.696 1.00 0.00 C ATOM 931 CZ TYR A 62 7.748 2.431 1.227 1.00 0.00 C ATOM 932 OH TYR A 62 8.164 1.677 2.278 1.00 0.00 O ATOM 0 H TYR A 62 5.716 4.508 -5.029 1.00 0.00 H new ATOM 0 HA TYR A 62 7.957 5.446 -3.286 1.00 0.00 H new ATOM 0 HB2 TYR A 62 6.115 5.696 -1.884 1.00 0.00 H new ATOM 0 HB3 TYR A 62 5.335 4.247 -2.488 1.00 0.00 H new ATOM 0 HD1 TYR A 62 8.729 4.925 -0.899 1.00 0.00 H new ATOM 0 HD2 TYR A 62 5.009 2.774 -0.769 1.00 0.00 H new ATOM 0 HE1 TYR A 62 9.533 3.646 1.072 1.00 0.00 H new ATOM 0 HE2 TYR A 62 5.837 1.429 1.133 1.00 0.00 H new ATOM 0 HH TYR A 62 8.667 2.238 2.904 1.00 0.00 H new ATOM 942 N THR A 63 8.843 3.015 -3.278 1.00 0.00 N ATOM 943 CA THR A 63 9.497 1.748 -3.559 1.00 0.00 C ATOM 944 C THR A 63 9.905 1.094 -2.235 1.00 0.00 C ATOM 945 O THR A 63 10.421 1.750 -1.324 1.00 0.00 O ATOM 946 CB THR A 63 10.672 1.947 -4.538 1.00 0.00 C ATOM 947 OG1 THR A 63 10.213 2.631 -5.697 1.00 0.00 O ATOM 948 CG2 THR A 63 11.343 0.650 -4.995 1.00 0.00 C ATOM 0 H THR A 63 9.261 3.529 -2.503 1.00 0.00 H new ATOM 0 HA THR A 63 8.810 1.066 -4.061 1.00 0.00 H new ATOM 0 HB THR A 63 11.417 2.519 -3.985 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.960 2.759 -6.319 1.00 0.00 H new ATOM 0 HG21 THR A 63 12.158 0.884 -5.681 1.00 0.00 H new ATOM 0 HG22 THR A 63 11.739 0.120 -4.129 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.611 0.021 -5.502 1.00 0.00 H new ATOM 956 N VAL A 64 9.631 -0.202 -2.135 1.00 0.00 N ATOM 957 CA VAL A 64 9.879 -1.043 -0.976 1.00 0.00 C ATOM 958 C VAL A 64 11.114 -1.882 -1.288 1.00 0.00 C ATOM 959 O VAL A 64 11.340 -2.226 -2.450 1.00 0.00 O ATOM 960 CB VAL A 64 8.663 -1.952 -0.711 1.00 0.00 C ATOM 961 CG1 VAL A 64 8.731 -2.634 0.654 1.00 0.00 C ATOM 962 CG2 VAL A 64 7.322 -1.212 -0.811 1.00 0.00 C ATOM 0 H VAL A 64 9.207 -0.720 -2.904 1.00 0.00 H new ATOM 0 HA VAL A 64 10.040 -0.439 -0.083 1.00 0.00 H new ATOM 0 HB VAL A 64 8.711 -2.703 -1.499 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.851 -3.263 0.791 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.629 -3.250 0.709 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.762 -1.877 1.438 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.507 -1.908 -0.614 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.296 -0.406 -0.078 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.210 -0.796 -1.812 1.00 0.00 H new ATOM 972 N THR A 65 11.846 -2.282 -0.253 1.00 0.00 N ATOM 973 CA THR A 65 12.857 -3.322 -0.319 1.00 0.00 C ATOM 974 C THR A 65 12.531 -4.334 0.794 1.00 0.00 C ATOM 975 O THR A 65 11.686 -4.066 1.651 1.00 0.00 O ATOM 976 CB THR A 65 14.270 -2.720 -0.136 1.00 0.00 C ATOM 977 OG1 THR A 65 14.352 -1.317 -0.341 1.00 0.00 O ATOM 978 CG2 THR A 65 15.288 -3.340 -1.087 1.00 0.00 C ATOM 0 H THR A 65 11.747 -1.878 0.678 1.00 0.00 H new ATOM 0 HA THR A 65 12.851 -3.813 -1.292 1.00 0.00 H new ATOM 0 HB THR A 65 14.491 -2.946 0.907 1.00 0.00 H new ATOM 0 HG1 THR A 65 15.276 -1.020 -0.204 1.00 0.00 H new ATOM 0 HG21 THR A 65 16.265 -2.886 -0.921 1.00 0.00 H new ATOM 0 HG22 THR A 65 15.351 -4.413 -0.904 1.00 0.00 H new ATOM 0 HG23 THR A 65 14.977 -3.166 -2.117 1.00 0.00 H new ATOM 986 N GLY A 66 13.212 -5.472 0.831 1.00 0.00 N ATOM 987 CA GLY A 66 12.958 -6.556 1.771 1.00 0.00 C ATOM 988 C GLY A 66 11.911 -7.539 1.244 1.00 0.00 C ATOM 989 O GLY A 66 11.186 -8.165 2.017 1.00 0.00 O ATOM 0 H GLY A 66 13.979 -5.672 0.189 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.888 -7.089 1.969 1.00 0.00 H new ATOM 0 HA3 GLY A 66 12.620 -6.141 2.720 1.00 0.00 H new ATOM 993 N LEU A 67 11.753 -7.618 -0.078 1.00 0.00 N ATOM 994 CA LEU A 67 11.086 -8.696 -0.784 1.00 0.00 C ATOM 995 C LEU A 67 12.112 -9.793 -1.079 1.00 0.00 C ATOM 996 O LEU A 67 13.313 -9.512 -1.150 1.00 0.00 O ATOM 997 CB LEU A 67 10.462 -8.131 -2.075 1.00 0.00 C ATOM 998 CG LEU A 67 8.933 -8.309 -2.088 1.00 0.00 C ATOM 999 CD1 LEU A 67 8.289 -7.181 -2.885 1.00 0.00 C ATOM 1000 CD2 LEU A 67 8.533 -9.644 -2.710 1.00 0.00 C ATOM 0 H LEU A 67 12.105 -6.897 -0.708 1.00 0.00 H new ATOM 0 HA LEU A 67 10.286 -9.130 -0.184 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.707 -7.073 -2.166 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.895 -8.634 -2.940 1.00 0.00 H new ATOM 0 HG LEU A 67 8.587 -8.288 -1.055 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.207 -7.312 -2.891 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.536 -6.224 -2.426 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.663 -7.200 -3.909 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.447 -9.738 -2.703 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.895 -9.690 -3.737 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.971 -10.459 -2.134 1.00 0.00 H new ATOM 1012 N GLU A 68 11.629 -11.021 -1.259 1.00 0.00 N ATOM 1013 CA GLU A 68 12.402 -12.239 -1.438 1.00 0.00 C ATOM 1014 C GLU A 68 11.709 -13.070 -2.528 1.00 0.00 C ATOM 1015 O GLU A 68 10.476 -13.141 -2.518 1.00 0.00 O ATOM 1016 CB GLU A 68 12.455 -12.989 -0.095 1.00 0.00 C ATOM 1017 CG GLU A 68 13.858 -13.051 0.523 1.00 0.00 C ATOM 1018 CD GLU A 68 14.727 -14.224 0.067 1.00 0.00 C ATOM 1019 OE1 GLU A 68 14.218 -15.244 -0.458 1.00 0.00 O ATOM 1020 OE2 GLU A 68 15.931 -14.234 0.405 1.00 0.00 O ATOM 0 H GLU A 68 10.625 -11.198 -1.285 1.00 0.00 H new ATOM 0 HA GLU A 68 13.427 -12.033 -1.747 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.779 -12.504 0.609 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.087 -14.005 -0.242 1.00 0.00 H new ATOM 0 HG2 GLU A 68 14.380 -12.123 0.290 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.757 -13.096 1.607 1.00 0.00 H new ATOM 1027 N PRO A 69 12.435 -13.637 -3.509 1.00 0.00 N ATOM 1028 CA PRO A 69 11.808 -14.218 -4.690 1.00 0.00 C ATOM 1029 C PRO A 69 11.211 -15.605 -4.467 1.00 0.00 C ATOM 1030 O PRO A 69 11.592 -16.331 -3.539 1.00 0.00 O ATOM 1031 CB PRO A 69 12.891 -14.236 -5.772 1.00 0.00 C ATOM 1032 CG PRO A 69 14.192 -14.294 -4.972 1.00 0.00 C ATOM 1033 CD PRO A 69 13.865 -13.489 -3.717 1.00 0.00 C ATOM 0 HA PRO A 69 10.946 -13.616 -4.978 1.00 0.00 H new ATOM 0 HB2 PRO A 69 12.786 -15.098 -6.431 1.00 0.00 H new ATOM 0 HB3 PRO A 69 12.845 -13.347 -6.401 1.00 0.00 H new ATOM 0 HG2 PRO A 69 14.471 -15.320 -4.731 1.00 0.00 H new ATOM 0 HG3 PRO A 69 15.024 -13.858 -5.525 1.00 0.00 H new ATOM 0 HD2 PRO A 69 14.425 -13.860 -2.858 1.00 0.00 H new ATOM 0 HD3 PRO A 69 14.135 -12.441 -3.844 1.00 0.00 H new ATOM 1041 N GLY A 70 10.313 -15.984 -5.384 1.00 0.00 N ATOM 1042 CA GLY A 70 9.645 -17.279 -5.423 1.00 0.00 C ATOM 1043 C GLY A 70 8.325 -17.305 -4.664 1.00 0.00 C ATOM 1044 O GLY A 70 7.554 -18.248 -4.851 1.00 0.00 O ATOM 0 H GLY A 70 10.025 -15.370 -6.146 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.463 -17.554 -6.462 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.310 -18.035 -5.005 1.00 0.00 H new ATOM 1048 N ILE A 71 8.054 -16.297 -3.829 1.00 0.00 N ATOM 1049 CA ILE A 71 6.937 -16.264 -2.895 1.00 0.00 C ATOM 1050 C ILE A 71 6.012 -15.111 -3.296 1.00 0.00 C ATOM 1051 O ILE A 71 6.438 -14.076 -3.822 1.00 0.00 O ATOM 1052 CB ILE A 71 7.477 -16.198 -1.442 1.00 0.00 C ATOM 1053 CG1 ILE A 71 7.846 -17.594 -0.885 1.00 0.00 C ATOM 1054 CG2 ILE A 71 6.486 -15.597 -0.427 1.00 0.00 C ATOM 1055 CD1 ILE A 71 8.991 -18.334 -1.576 1.00 0.00 C ATOM 0 H ILE A 71 8.629 -15.456 -3.788 1.00 0.00 H new ATOM 0 HA ILE A 71 6.336 -17.173 -2.934 1.00 0.00 H new ATOM 0 HB ILE A 71 8.351 -15.554 -1.537 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.102 -17.482 0.169 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.958 -18.224 -0.932 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.941 -15.587 0.564 1.00 0.00 H new ATOM 0 HG22 ILE A 71 6.237 -14.578 -0.722 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.578 -16.200 -0.404 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.148 -19.297 -1.090 1.00 0.00 H new ATOM 0 HD12 ILE A 71 8.741 -18.493 -2.625 1.00 0.00 H new ATOM 0 HD13 ILE A 71 9.902 -17.740 -1.507 1.00 0.00 H new ATOM 1067 N ASP A 72 4.720 -15.339 -3.091 1.00 0.00 N ATOM 1068 CA ASP A 72 3.626 -14.416 -3.367 1.00 0.00 C ATOM 1069 C ASP A 72 3.570 -13.464 -2.181 1.00 0.00 C ATOM 1070 O ASP A 72 3.612 -13.919 -1.035 1.00 0.00 O ATOM 1071 CB ASP A 72 2.343 -15.248 -3.525 1.00 0.00 C ATOM 1072 CG ASP A 72 1.163 -14.552 -4.210 1.00 0.00 C ATOM 1073 OD1 ASP A 72 1.134 -13.311 -4.371 1.00 0.00 O ATOM 1074 OD2 ASP A 72 0.273 -15.314 -4.672 1.00 0.00 O ATOM 0 H ASP A 72 4.389 -16.224 -2.706 1.00 0.00 H new ATOM 0 HA ASP A 72 3.754 -13.836 -4.281 1.00 0.00 H new ATOM 0 HB2 ASP A 72 2.586 -16.147 -4.092 1.00 0.00 H new ATOM 0 HB3 ASP A 72 2.021 -15.572 -2.535 1.00 0.00 H new ATOM 1079 N TYR A 73 3.550 -12.157 -2.423 1.00 0.00 N ATOM 1080 CA TYR A 73 3.525 -11.150 -1.372 1.00 0.00 C ATOM 1081 C TYR A 73 2.233 -10.373 -1.505 1.00 0.00 C ATOM 1082 O TYR A 73 1.931 -9.856 -2.580 1.00 0.00 O ATOM 1083 CB TYR A 73 4.748 -10.227 -1.428 1.00 0.00 C ATOM 1084 CG TYR A 73 5.952 -10.705 -0.633 1.00 0.00 C ATOM 1085 CD1 TYR A 73 6.669 -11.852 -1.022 1.00 0.00 C ATOM 1086 CD2 TYR A 73 6.394 -9.968 0.482 1.00 0.00 C ATOM 1087 CE1 TYR A 73 7.814 -12.258 -0.311 1.00 0.00 C ATOM 1088 CE2 TYR A 73 7.543 -10.354 1.191 1.00 0.00 C ATOM 1089 CZ TYR A 73 8.258 -11.508 0.799 1.00 0.00 C ATOM 1090 OH TYR A 73 9.370 -11.896 1.480 1.00 0.00 O ATOM 0 H TYR A 73 3.551 -11.765 -3.365 1.00 0.00 H new ATOM 0 HA TYR A 73 3.570 -11.637 -0.398 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.045 -10.105 -2.470 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.458 -9.242 -1.062 1.00 0.00 H new ATOM 0 HD1 TYR A 73 6.337 -12.426 -1.874 1.00 0.00 H new ATOM 0 HD2 TYR A 73 5.842 -9.094 0.796 1.00 0.00 H new ATOM 0 HE1 TYR A 73 8.353 -13.143 -0.615 1.00 0.00 H new ATOM 0 HE2 TYR A 73 7.880 -9.770 2.035 1.00 0.00 H new ATOM 0 HH TYR A 73 9.677 -11.161 2.051 1.00 0.00 H new ATOM 1100 N ASP A 74 1.501 -10.270 -0.400 1.00 0.00 N ATOM 1101 CA ASP A 74 0.296 -9.464 -0.278 1.00 0.00 C ATOM 1102 C ASP A 74 0.813 -8.069 0.069 1.00 0.00 C ATOM 1103 O ASP A 74 0.997 -7.751 1.255 1.00 0.00 O ATOM 1104 CB ASP A 74 -0.617 -9.977 0.852 1.00 0.00 C ATOM 1105 CG ASP A 74 -1.740 -10.943 0.486 1.00 0.00 C ATOM 1106 OD1 ASP A 74 -2.558 -10.657 -0.414 1.00 0.00 O ATOM 1107 OD2 ASP A 74 -2.003 -11.881 1.279 1.00 0.00 O ATOM 0 H ASP A 74 1.740 -10.762 0.461 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.301 -9.491 -1.190 1.00 0.00 H new ATOM 0 HB2 ASP A 74 0.014 -10.465 1.595 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -1.067 -9.110 1.336 1.00 0.00 H new ATOM 1112 N ILE A 75 1.121 -7.229 -0.922 1.00 0.00 N ATOM 1113 CA ILE A 75 1.607 -5.886 -0.610 1.00 0.00 C ATOM 1114 C ILE A 75 0.349 -5.057 -0.392 1.00 0.00 C ATOM 1115 O ILE A 75 -0.525 -4.959 -1.259 1.00 0.00 O ATOM 1116 CB ILE A 75 2.556 -5.266 -1.654 1.00 0.00 C ATOM 1117 CG1 ILE A 75 3.640 -6.253 -2.144 1.00 0.00 C ATOM 1118 CG2 ILE A 75 3.121 -3.938 -1.091 1.00 0.00 C ATOM 1119 CD1 ILE A 75 3.258 -6.855 -3.502 1.00 0.00 C ATOM 0 H ILE A 75 1.046 -7.446 -1.916 1.00 0.00 H new ATOM 0 HA ILE A 75 2.247 -5.919 0.272 1.00 0.00 H new ATOM 0 HB ILE A 75 1.993 -5.037 -2.559 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.597 -5.737 -2.226 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.770 -7.050 -1.412 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.794 -3.490 -1.822 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.300 -3.251 -0.886 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.667 -4.137 -0.169 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.036 -7.546 -3.826 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.313 -7.390 -3.410 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.153 -6.057 -4.237 1.00 0.00 H new ATOM 1131 N SER A 76 0.209 -4.564 0.824 1.00 0.00 N ATOM 1132 CA SER A 76 -0.998 -4.000 1.390 1.00 0.00 C ATOM 1133 C SER A 76 -0.742 -2.531 1.665 1.00 0.00 C ATOM 1134 O SER A 76 0.357 -2.173 2.070 1.00 0.00 O ATOM 1135 CB SER A 76 -1.373 -4.777 2.656 1.00 0.00 C ATOM 1136 OG SER A 76 -0.971 -6.146 2.648 1.00 0.00 O ATOM 0 H SER A 76 0.987 -4.547 1.484 1.00 0.00 H new ATOM 0 HA SER A 76 -1.841 -4.080 0.704 1.00 0.00 H new ATOM 0 HB2 SER A 76 -0.922 -4.284 3.517 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.454 -4.729 2.790 1.00 0.00 H new ATOM 0 HG SER A 76 -1.244 -6.572 3.487 1.00 0.00 H new ATOM 1142 N VAL A 77 -1.713 -1.668 1.402 1.00 0.00 N ATOM 1143 CA VAL A 77 -1.549 -0.233 1.418 1.00 0.00 C ATOM 1144 C VAL A 77 -2.880 0.323 1.929 1.00 0.00 C ATOM 1145 O VAL A 77 -3.898 0.182 1.248 1.00 0.00 O ATOM 1146 CB VAL A 77 -1.171 0.251 0.002 1.00 0.00 C ATOM 1147 CG1 VAL A 77 -0.831 1.746 0.025 1.00 0.00 C ATOM 1148 CG2 VAL A 77 -0.048 -0.580 -0.673 1.00 0.00 C ATOM 0 H VAL A 77 -2.661 -1.962 1.166 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.744 0.112 2.066 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.050 0.093 -0.622 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.566 2.074 -0.980 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.695 2.310 0.375 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.011 1.917 0.696 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.158 -0.176 -1.664 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.856 -0.531 -0.066 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.368 -1.618 -0.764 1.00 0.00 H new ATOM 1158 N ILE A 78 -2.905 0.902 3.131 1.00 0.00 N ATOM 1159 CA ILE A 78 -4.078 1.585 3.668 1.00 0.00 C ATOM 1160 C ILE A 78 -3.803 3.079 3.586 1.00 0.00 C ATOM 1161 O ILE A 78 -2.682 3.524 3.842 1.00 0.00 O ATOM 1162 CB ILE A 78 -4.381 1.157 5.128 1.00 0.00 C ATOM 1163 CG1 ILE A 78 -4.530 -0.373 5.228 1.00 0.00 C ATOM 1164 CG2 ILE A 78 -5.648 1.881 5.626 1.00 0.00 C ATOM 1165 CD1 ILE A 78 -5.002 -0.894 6.588 1.00 0.00 C ATOM 0 H ILE A 78 -2.104 0.909 3.762 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.961 1.318 3.087 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.546 1.443 5.767 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.235 -0.704 4.465 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.569 -0.832 4.995 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.860 1.579 6.652 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.489 2.959 5.590 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.492 1.617 4.989 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.075 -1.981 6.556 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.288 -0.601 7.358 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -5.980 -0.471 6.820 1.00 0.00 H new ATOM 1177 N THR A 79 -4.840 3.864 3.316 1.00 0.00 N ATOM 1178 CA THR A 79 -4.791 5.301 3.496 1.00 0.00 C ATOM 1179 C THR A 79 -5.585 5.670 4.748 1.00 0.00 C ATOM 1180 O THR A 79 -6.604 5.051 5.072 1.00 0.00 O ATOM 1181 CB THR A 79 -5.304 6.000 2.238 1.00 0.00 C ATOM 1182 OG1 THR A 79 -4.745 5.418 1.078 1.00 0.00 O ATOM 1183 CG2 THR A 79 -4.918 7.481 2.292 1.00 0.00 C ATOM 0 H THR A 79 -5.734 3.518 2.967 1.00 0.00 H new ATOM 0 HA THR A 79 -3.765 5.639 3.644 1.00 0.00 H new ATOM 0 HB THR A 79 -6.388 5.892 2.196 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.523 6.122 0.433 1.00 0.00 H new ATOM 0 HG21 THR A 79 -5.282 7.985 1.396 1.00 0.00 H new ATOM 0 HG22 THR A 79 -5.364 7.941 3.174 1.00 0.00 H new ATOM 0 HG23 THR A 79 -3.833 7.573 2.344 1.00 0.00 H new ATOM 1191 N LEU A 80 -5.076 6.661 5.475 1.00 0.00 N ATOM 1192 CA LEU A 80 -5.560 7.112 6.763 1.00 0.00 C ATOM 1193 C LEU A 80 -5.661 8.632 6.718 1.00 0.00 C ATOM 1194 O LEU A 80 -4.663 9.321 6.475 1.00 0.00 O ATOM 1195 CB LEU A 80 -4.640 6.633 7.892 1.00 0.00 C ATOM 1196 CG LEU A 80 -3.133 6.531 7.571 1.00 0.00 C ATOM 1197 CD1 LEU A 80 -2.307 6.839 8.818 1.00 0.00 C ATOM 1198 CD2 LEU A 80 -2.761 5.125 7.083 1.00 0.00 C ATOM 0 H LEU A 80 -4.269 7.197 5.157 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.543 6.689 6.970 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.761 7.309 8.738 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.985 5.651 8.217 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.918 7.254 6.784 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.246 6.764 8.579 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.531 7.849 9.163 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.554 6.125 9.603 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.694 5.086 6.865 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.000 4.396 7.857 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.324 4.893 6.179 1.00 0.00 H new ATOM 1210 N ILE A 81 -6.875 9.156 6.891 1.00 0.00 N ATOM 1211 CA ILE A 81 -7.186 10.563 6.662 1.00 0.00 C ATOM 1212 C ILE A 81 -7.637 11.225 7.970 1.00 0.00 C ATOM 1213 O ILE A 81 -7.473 10.650 9.043 1.00 0.00 O ATOM 1214 CB ILE A 81 -8.125 10.748 5.437 1.00 0.00 C ATOM 1215 CG1 ILE A 81 -9.632 10.595 5.727 1.00 0.00 C ATOM 1216 CG2 ILE A 81 -7.752 9.797 4.282 1.00 0.00 C ATOM 1217 CD1 ILE A 81 -10.496 11.388 4.735 1.00 0.00 C ATOM 0 H ILE A 81 -7.678 8.607 7.198 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.287 11.106 6.371 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.962 11.788 5.154 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -9.904 9.540 5.681 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.842 10.935 6.741 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -8.431 9.957 3.445 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -6.729 9.996 3.962 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -7.831 8.764 4.621 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.549 11.250 4.979 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -10.245 12.447 4.799 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -10.308 11.031 3.722 1.00 0.00 H new ATOM 1229 N ASN A 82 -8.173 12.447 7.902 1.00 0.00 N ATOM 1230 CA ASN A 82 -8.918 13.038 9.010 1.00 0.00 C ATOM 1231 C ASN A 82 -9.966 12.054 9.538 1.00 0.00 C ATOM 1232 O ASN A 82 -11.009 11.912 8.899 1.00 0.00 O ATOM 1233 CB ASN A 82 -9.629 14.324 8.549 1.00 0.00 C ATOM 1234 CG ASN A 82 -10.581 14.801 9.642 1.00 0.00 C ATOM 1235 OD1 ASN A 82 -10.172 15.432 10.609 1.00 0.00 O ATOM 1236 ND2 ASN A 82 -11.850 14.435 9.550 1.00 0.00 N ATOM 0 H ASN A 82 -8.102 13.049 7.081 1.00 0.00 H new ATOM 0 HA ASN A 82 -8.210 13.274 9.804 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -8.895 15.099 8.328 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -10.181 14.137 7.628 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -12.506 14.678 10.292 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -12.172 13.910 8.737 1.00 0.00 H new ATOM 1243 N GLY A 83 -9.722 11.444 10.703 1.00 0.00 N ATOM 1244 CA GLY A 83 -10.713 10.698 11.473 1.00 0.00 C ATOM 1245 C GLY A 83 -11.504 9.699 10.638 1.00 0.00 C ATOM 1246 O GLY A 83 -12.706 9.535 10.856 1.00 0.00 O ATOM 0 H GLY A 83 -8.803 11.458 11.145 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -10.209 10.167 12.280 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.405 11.401 11.937 1.00 0.00 H new ATOM 1250 N GLY A 84 -10.857 9.084 9.655 1.00 0.00 N ATOM 1251 CA GLY A 84 -11.514 8.312 8.630 1.00 0.00 C ATOM 1252 C GLY A 84 -10.470 7.405 8.013 1.00 0.00 C ATOM 1253 O GLY A 84 -9.298 7.771 7.880 1.00 0.00 O ATOM 0 H GLY A 84 -9.842 9.114 9.554 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -12.330 7.727 9.053 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.949 8.967 7.875 1.00 0.00 H new ATOM 1257 N GLU A 85 -10.907 6.213 7.640 1.00 0.00 N ATOM 1258 CA GLU A 85 -10.069 5.156 7.118 1.00 0.00 C ATOM 1259 C GLU A 85 -10.613 4.772 5.745 1.00 0.00 C ATOM 1260 O GLU A 85 -11.836 4.769 5.520 1.00 0.00 O ATOM 1261 CB GLU A 85 -10.071 3.990 8.123 1.00 0.00 C ATOM 1262 CG GLU A 85 -8.972 2.966 7.830 1.00 0.00 C ATOM 1263 CD GLU A 85 -8.911 1.891 8.917 1.00 0.00 C ATOM 1264 OE1 GLU A 85 -9.925 1.213 9.196 1.00 0.00 O ATOM 1265 OE2 GLU A 85 -7.811 1.735 9.518 1.00 0.00 O ATOM 0 H GLU A 85 -11.891 5.950 7.696 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.031 5.464 6.992 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.939 4.383 9.131 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -11.042 3.494 8.099 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.156 2.498 6.863 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -8.009 3.472 7.761 1.00 0.00 H new ATOM 1272 N SER A 86 -9.704 4.422 4.839 1.00 0.00 N ATOM 1273 CA SER A 86 -10.052 3.896 3.530 1.00 0.00 C ATOM 1274 C SER A 86 -10.287 2.384 3.712 1.00 0.00 C ATOM 1275 O SER A 86 -10.462 1.911 4.838 1.00 0.00 O ATOM 1276 CB SER A 86 -8.981 4.314 2.517 1.00 0.00 C ATOM 1277 OG SER A 86 -8.621 5.663 2.754 1.00 0.00 O ATOM 0 H SER A 86 -8.699 4.497 4.997 1.00 0.00 H new ATOM 0 HA SER A 86 -10.973 4.302 3.111 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.106 3.670 2.607 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.359 4.198 1.501 1.00 0.00 H new ATOM 0 HG SER A 86 -8.002 5.708 3.512 1.00 0.00 H new ATOM 1283 N ALA A 87 -10.333 1.596 2.645 1.00 0.00 N ATOM 1284 CA ALA A 87 -10.295 0.135 2.771 1.00 0.00 C ATOM 1285 C ALA A 87 -8.875 -0.349 2.442 1.00 0.00 C ATOM 1286 O ALA A 87 -8.123 0.391 1.802 1.00 0.00 O ATOM 1287 CB ALA A 87 -11.381 -0.522 1.906 1.00 0.00 C ATOM 0 H ALA A 87 -10.396 1.937 1.686 1.00 0.00 H new ATOM 0 HA ALA A 87 -10.522 -0.165 3.794 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -11.330 -1.605 2.018 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.362 -0.170 2.224 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -11.223 -0.258 0.860 1.00 0.00 H new ATOM 1293 N PRO A 88 -8.491 -1.580 2.809 1.00 0.00 N ATOM 1294 CA PRO A 88 -7.154 -2.071 2.552 1.00 0.00 C ATOM 1295 C PRO A 88 -6.982 -2.316 1.056 1.00 0.00 C ATOM 1296 O PRO A 88 -7.548 -3.252 0.492 1.00 0.00 O ATOM 1297 CB PRO A 88 -7.008 -3.315 3.427 1.00 0.00 C ATOM 1298 CG PRO A 88 -8.433 -3.847 3.544 1.00 0.00 C ATOM 1299 CD PRO A 88 -9.271 -2.571 3.534 1.00 0.00 C ATOM 0 HA PRO A 88 -6.362 -1.367 2.807 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -6.343 -4.049 2.971 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.591 -3.070 4.404 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -8.689 -4.505 2.714 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -8.577 -4.419 4.461 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -10.233 -2.740 3.049 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -9.481 -2.235 4.549 1.00 0.00 H new ATOM 1307 N THR A 89 -6.193 -1.473 0.397 1.00 0.00 N ATOM 1308 CA THR A 89 -5.809 -1.672 -0.985 1.00 0.00 C ATOM 1309 C THR A 89 -4.597 -2.606 -0.999 1.00 0.00 C ATOM 1310 O THR A 89 -3.450 -2.166 -0.997 1.00 0.00 O ATOM 1311 CB THR A 89 -5.598 -0.332 -1.728 1.00 0.00 C ATOM 1312 OG1 THR A 89 -5.303 0.765 -0.881 1.00 0.00 O ATOM 1313 CG2 THR A 89 -6.819 0.037 -2.571 1.00 0.00 C ATOM 0 H THR A 89 -5.803 -0.629 0.815 1.00 0.00 H new ATOM 0 HA THR A 89 -6.612 -2.148 -1.548 1.00 0.00 H new ATOM 0 HB THR A 89 -4.727 -0.511 -2.359 1.00 0.00 H new ATOM 0 HG1 THR A 89 -4.501 0.565 -0.355 1.00 0.00 H new ATOM 0 HG21 THR A 89 -6.637 0.984 -3.080 1.00 0.00 H new ATOM 0 HG22 THR A 89 -7.000 -0.743 -3.310 1.00 0.00 H new ATOM 0 HG23 THR A 89 -7.691 0.134 -1.925 1.00 0.00 H new ATOM 1321 N THR A 90 -4.858 -3.912 -0.997 1.00 0.00 N ATOM 1322 CA THR A 90 -3.836 -4.933 -1.212 1.00 0.00 C ATOM 1323 C THR A 90 -3.826 -5.306 -2.687 1.00 0.00 C ATOM 1324 O THR A 90 -4.870 -5.301 -3.347 1.00 0.00 O ATOM 1325 CB THR A 90 -4.072 -6.169 -0.321 1.00 0.00 C ATOM 1326 OG1 THR A 90 -4.218 -5.793 1.037 1.00 0.00 O ATOM 1327 CG2 THR A 90 -2.928 -7.193 -0.388 1.00 0.00 C ATOM 0 H THR A 90 -5.792 -4.293 -0.845 1.00 0.00 H new ATOM 0 HA THR A 90 -2.862 -4.533 -0.931 1.00 0.00 H new ATOM 0 HB THR A 90 -4.982 -6.628 -0.707 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.368 -6.592 1.583 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.157 -8.038 0.262 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.814 -7.544 -1.413 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.000 -6.724 -0.060 1.00 0.00 H new ATOM 1335 N LEU A 91 -2.644 -5.626 -3.201 1.00 0.00 N ATOM 1336 CA LEU A 91 -2.426 -6.291 -4.470 1.00 0.00 C ATOM 1337 C LEU A 91 -1.440 -7.419 -4.162 1.00 0.00 C ATOM 1338 O LEU A 91 -0.383 -7.152 -3.590 1.00 0.00 O ATOM 1339 CB LEU A 91 -1.913 -5.281 -5.513 1.00 0.00 C ATOM 1340 CG LEU A 91 -2.786 -5.193 -6.769 1.00 0.00 C ATOM 1341 CD1 LEU A 91 -2.462 -3.906 -7.533 1.00 0.00 C ATOM 1342 CD2 LEU A 91 -2.541 -6.406 -7.667 1.00 0.00 C ATOM 0 H LEU A 91 -1.772 -5.416 -2.716 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.334 -6.705 -4.909 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.855 -4.295 -5.052 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.900 -5.557 -5.805 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.835 -5.181 -6.472 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.084 -3.846 -8.426 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.659 -3.045 -6.895 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.411 -3.910 -7.823 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.167 -6.333 -8.556 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.492 -6.434 -7.963 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.789 -7.317 -7.123 1.00 0.00 H new ATOM 1354 N THR A 92 -1.802 -8.669 -4.423 1.00 0.00 N ATOM 1355 CA THR A 92 -0.865 -9.776 -4.309 1.00 0.00 C ATOM 1356 C THR A 92 -0.196 -9.948 -5.674 1.00 0.00 C ATOM 1357 O THR A 92 -0.858 -9.826 -6.714 1.00 0.00 O ATOM 1358 CB THR A 92 -1.593 -11.017 -3.753 1.00 0.00 C ATOM 1359 OG1 THR A 92 -0.729 -11.865 -3.025 1.00 0.00 O ATOM 1360 CG2 THR A 92 -2.361 -11.831 -4.790 1.00 0.00 C ATOM 0 H THR A 92 -2.741 -8.940 -4.716 1.00 0.00 H new ATOM 0 HA THR A 92 -0.066 -9.592 -3.591 1.00 0.00 H new ATOM 0 HB THR A 92 -2.338 -10.594 -3.079 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.118 -12.318 -3.643 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.838 -12.682 -4.304 1.00 0.00 H new ATOM 0 HG22 THR A 92 -3.122 -11.204 -5.254 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.672 -12.190 -5.554 1.00 0.00 H new ATOM 1368 N GLN A 93 1.107 -10.233 -5.686 1.00 0.00 N ATOM 1369 CA GLN A 93 1.796 -10.805 -6.836 1.00 0.00 C ATOM 1370 C GLN A 93 3.025 -11.580 -6.353 1.00 0.00 C ATOM 1371 O GLN A 93 3.507 -11.373 -5.234 1.00 0.00 O ATOM 1372 CB GLN A 93 2.190 -9.740 -7.886 1.00 0.00 C ATOM 1373 CG GLN A 93 1.348 -9.760 -9.176 1.00 0.00 C ATOM 1374 CD GLN A 93 1.306 -11.100 -9.922 1.00 0.00 C ATOM 1375 OE1 GLN A 93 1.906 -12.105 -9.548 1.00 0.00 O ATOM 1376 NE2 GLN A 93 0.515 -11.191 -10.978 1.00 0.00 N ATOM 0 H GLN A 93 1.718 -10.070 -4.886 1.00 0.00 H new ATOM 0 HA GLN A 93 1.106 -11.483 -7.338 1.00 0.00 H new ATOM 0 HB2 GLN A 93 2.107 -8.753 -7.430 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.238 -9.882 -8.151 1.00 0.00 H new ATOM 0 HG2 GLN A 93 0.327 -9.472 -8.926 1.00 0.00 H new ATOM 0 HG3 GLN A 93 1.737 -9.000 -9.854 1.00 0.00 H new ATOM 0 HE21 GLN A 93 0.007 -10.370 -11.307 1.00 0.00 H new ATOM 0 HE22 GLN A 93 0.413 -12.082 -11.464 1.00 0.00 H new ATOM 1385 N GLN A 94 3.544 -12.457 -7.211 1.00 0.00 N ATOM 1386 CA GLN A 94 4.802 -13.156 -7.012 1.00 0.00 C ATOM 1387 C GLN A 94 5.919 -12.432 -7.775 1.00 0.00 C ATOM 1388 O GLN A 94 5.652 -11.541 -8.589 1.00 0.00 O ATOM 1389 CB GLN A 94 4.671 -14.616 -7.488 1.00 0.00 C ATOM 1390 CG GLN A 94 5.336 -15.557 -6.486 1.00 0.00 C ATOM 1391 CD GLN A 94 5.570 -16.970 -6.988 1.00 0.00 C ATOM 1392 OE1 GLN A 94 6.466 -17.222 -7.787 1.00 0.00 O ATOM 1393 NE2 GLN A 94 4.853 -17.949 -6.465 1.00 0.00 N ATOM 0 H GLN A 94 3.084 -12.704 -8.087 1.00 0.00 H new ATOM 0 HA GLN A 94 5.053 -13.162 -5.951 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.619 -14.877 -7.600 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.134 -14.730 -8.468 1.00 0.00 H new ATOM 0 HG2 GLN A 94 6.294 -15.130 -6.190 1.00 0.00 H new ATOM 0 HG3 GLN A 94 4.718 -15.604 -5.590 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.108 -17.737 -5.801 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.044 -18.916 -6.725 1.00 0.00 H new ATOM 1402 N THR A 95 7.157 -12.880 -7.569 1.00 0.00 N ATOM 1403 CA THR A 95 8.267 -12.644 -8.474 1.00 0.00 C ATOM 1404 C THR A 95 8.764 -14.028 -8.876 1.00 0.00 C ATOM 1405 O THR A 95 9.594 -14.610 -8.135 1.00 0.00 O ATOM 1406 CB THR A 95 9.332 -11.728 -7.840 1.00 0.00 C ATOM 1407 OG1 THR A 95 9.822 -12.342 -6.676 1.00 0.00 O ATOM 1408 CG2 THR A 95 8.799 -10.344 -7.473 1.00 0.00 C ATOM 1409 OXT THR A 95 8.295 -14.550 -9.915 1.00 0.00 O ATOM 0 H THR A 95 7.415 -13.428 -6.749 1.00 0.00 H new ATOM 0 HA THR A 95 7.975 -12.092 -9.368 1.00 0.00 H new ATOM 0 HB THR A 95 10.115 -11.586 -8.585 1.00 0.00 H new ATOM 0 HG1 THR A 95 9.937 -13.302 -6.836 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.600 -9.751 -7.032 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.431 -9.846 -8.370 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.985 -10.446 -6.755 1.00 0.00 H new