USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 785 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 81 GLN : amide:sc= -0.929 K(o=-3,f=-3.5) USER MOD Set 1.2: A 85 ASN :FLIP amide:sc= -2.07 F(o=-4!,f=-3) USER MOD Set 2.1: A 19 GLN : amide:sc= -0.0532 K(o=-1.8,f=-5.1!) USER MOD Set 2.2: A 84 LYS NZ :NH3+ 152:sc= -1.76! (180deg=-3.24!) USER MOD Set 3.1: A 13 LYS NZ :NH3+ -125:sc= 2.04 (180deg=0.549) USER MOD Set 3.2: A 39 TYR OH : rot 179:sc= 0.564 USER MOD Single : A 8 THR OG1 : rot 34:sc= 0.123 USER MOD Single : A 9 SER OG : rot 180:sc= -0.119 USER MOD Single : A 20 ASN : amide:sc= -0.74 X(o=-0.74,f=-0.32) USER MOD Single : A 27 GLN : amide:sc= -1.09 K(o=-1.1,f=-3.3!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= -0.0488 USER MOD Single : A 37 THR OG1 : rot -58:sc= 1.62 USER MOD Single : A 38 SER OG : rot 180:sc= -0.115 USER MOD Single : A 49 GLN :FLIP amide:sc= -0.401 F(o=-1.8,f=-0.4) USER MOD Single : A 50 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 52 LYS NZ :NH3+ -153:sc= 1.2 (180deg=-0.788) USER MOD Single : A 58 LYS NZ :NH3+ -168:sc= -0.0386 (180deg=-0.193) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 71 ASN : amide:sc= -1.08 X(o=-1.1,f=-1.2) USER MOD Single : A 72 GLN : amide:sc= -0.919 X(o=-0.92,f=-1.2) USER MOD Single : A 74 THR OG1 : rot 70:sc= 0.775 USER MOD Single : A 78 ASN :FLIP amide:sc= -1.24 F(o=-1.8,f=-1.2) USER MOD Single : A 86 GLN :FLIP amide:sc= -0.769 F(o=-1.7,f=-0.77) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ -163:sc= -0.0727 (180deg=-0.42) USER MOD Single : A 89 GLN : amide:sc= -0.0687 X(o=-0.069,f=-0.19) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -174:sc= 0 (180deg=-0.0466) USER MOD Single : A 96 GLN : amide:sc= -0.796 X(o=-0.8,f=-0.77) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 99 N THR A 8 1.529 -18.271 -4.915 1.00 64.51 N ATOM 100 CA THR A 8 1.566 -17.021 -5.679 1.00 52.23 C ATOM 101 C THR A 8 1.667 -15.827 -4.721 1.00 55.23 C ATOM 102 O THR A 8 0.683 -15.429 -4.093 1.00 5.44 O ATOM 103 CB THR A 8 0.307 -16.868 -6.575 1.00 73.53 C ATOM 104 OG1 THR A 8 0.134 -18.041 -7.395 1.00 70.33 O ATOM 105 CG2 THR A 8 0.411 -15.638 -7.476 1.00 43.44 C ATOM 0 HA THR A 8 2.443 -17.048 -6.326 1.00 52.23 H new ATOM 0 HB THR A 8 -0.553 -16.746 -5.916 1.00 73.53 H new ATOM 0 HG1 THR A 8 0.436 -18.832 -6.902 1.00 70.33 H new ATOM 0 HG21 THR A 8 -0.486 -15.560 -8.090 1.00 43.44 H new ATOM 0 HG22 THR A 8 0.509 -14.744 -6.861 1.00 43.44 H new ATOM 0 HG23 THR A 8 1.285 -15.732 -8.121 1.00 43.44 H new ATOM 113 N SER A 9 2.869 -15.277 -4.591 1.00 42.50 N ATOM 114 CA SER A 9 3.130 -14.199 -3.621 1.00 54.20 C ATOM 115 C SER A 9 2.613 -12.838 -4.109 1.00 53.21 C ATOM 116 O SER A 9 2.127 -12.708 -5.233 1.00 34.32 O ATOM 117 CB SER A 9 4.631 -14.104 -3.323 1.00 3.13 C ATOM 118 OG SER A 9 4.896 -13.079 -2.376 1.00 72.54 O ATOM 0 H SER A 9 3.683 -15.554 -5.140 1.00 42.50 H new ATOM 0 HA SER A 9 2.588 -14.452 -2.710 1.00 54.20 H new ATOM 0 HB2 SER A 9 4.991 -15.059 -2.941 1.00 3.13 H new ATOM 0 HB3 SER A 9 5.177 -13.903 -4.245 1.00 3.13 H new ATOM 0 HG SER A 9 5.859 -13.038 -2.200 1.00 72.54 H new ATOM 124 N PHE A 10 2.732 -11.821 -3.256 1.00 42.21 N ATOM 125 CA PHE A 10 2.239 -10.473 -3.567 1.00 0.42 C ATOM 126 C PHE A 10 3.280 -9.402 -3.206 1.00 11.31 C ATOM 127 O PHE A 10 4.132 -9.610 -2.340 1.00 10.04 O ATOM 128 CB PHE A 10 0.931 -10.193 -2.811 1.00 43.23 C ATOM 129 CG PHE A 10 -0.183 -11.156 -3.140 1.00 61.04 C ATOM 130 CD1 PHE A 10 -1.031 -10.923 -4.214 1.00 52.54 C ATOM 131 CD2 PHE A 10 -0.384 -12.297 -2.371 1.00 61.54 C ATOM 132 CE1 PHE A 10 -2.052 -11.806 -4.516 1.00 40.52 C ATOM 133 CE2 PHE A 10 -1.404 -13.180 -2.670 1.00 1.22 C ATOM 134 CZ PHE A 10 -2.237 -12.935 -3.742 1.00 72.44 C ATOM 0 H PHE A 10 3.168 -11.903 -2.338 1.00 42.21 H new ATOM 0 HA PHE A 10 2.054 -10.429 -4.640 1.00 0.42 H new ATOM 0 HB2 PHE A 10 1.127 -10.231 -1.739 1.00 43.23 H new ATOM 0 HB3 PHE A 10 0.601 -9.179 -3.039 1.00 43.23 H new ATOM 0 HD1 PHE A 10 -0.892 -10.041 -4.822 1.00 52.54 H new ATOM 0 HD2 PHE A 10 0.264 -12.495 -1.530 1.00 61.54 H new ATOM 0 HE1 PHE A 10 -2.703 -11.613 -5.356 1.00 40.52 H new ATOM 0 HE2 PHE A 10 -1.549 -14.062 -2.064 1.00 1.22 H new ATOM 0 HZ PHE A 10 -3.034 -13.626 -3.976 1.00 72.44 H new ATOM 144 N ILE A 11 3.210 -8.258 -3.882 1.00 24.34 N ATOM 145 CA ILE A 11 4.109 -7.130 -3.607 1.00 34.23 C ATOM 146 C ILE A 11 3.314 -5.824 -3.452 1.00 72.34 C ATOM 147 O ILE A 11 2.511 -5.473 -4.317 1.00 12.21 O ATOM 148 CB ILE A 11 5.156 -6.944 -4.738 1.00 73.20 C ATOM 149 CG1 ILE A 11 5.962 -8.237 -4.955 1.00 62.03 C ATOM 150 CG2 ILE A 11 6.090 -5.775 -4.419 1.00 55.32 C ATOM 151 CD1 ILE A 11 7.006 -8.135 -6.049 1.00 62.42 C ATOM 0 H ILE A 11 2.538 -8.083 -4.629 1.00 24.34 H new ATOM 0 HA ILE A 11 4.628 -7.360 -2.677 1.00 34.23 H new ATOM 0 HB ILE A 11 4.623 -6.717 -5.661 1.00 73.20 H new ATOM 0 HG12 ILE A 11 6.454 -8.507 -4.021 1.00 62.03 H new ATOM 0 HG13 ILE A 11 5.273 -9.046 -5.198 1.00 62.03 H new ATOM 0 HG21 ILE A 11 6.817 -5.660 -5.223 1.00 55.32 H new ATOM 0 HG22 ILE A 11 5.507 -4.859 -4.323 1.00 55.32 H new ATOM 0 HG23 ILE A 11 6.613 -5.972 -3.483 1.00 55.32 H new ATOM 0 HD11 ILE A 11 7.531 -9.086 -6.141 1.00 62.42 H new ATOM 0 HD12 ILE A 11 6.520 -7.896 -6.995 1.00 62.42 H new ATOM 0 HD13 ILE A 11 7.719 -7.349 -5.799 1.00 62.42 H new ATOM 163 N LEU A 12 3.536 -5.107 -2.354 1.00 31.34 N ATOM 164 CA LEU A 12 2.866 -3.820 -2.132 1.00 40.14 C ATOM 165 C LEU A 12 3.716 -2.655 -2.652 1.00 22.12 C ATOM 166 O LEU A 12 4.888 -2.517 -2.296 1.00 12.21 O ATOM 167 CB LEU A 12 2.571 -3.598 -0.643 1.00 74.52 C ATOM 168 CG LEU A 12 1.952 -2.225 -0.302 1.00 32.23 C ATOM 169 CD1 LEU A 12 0.550 -2.095 -0.895 1.00 51.32 C ATOM 170 CD2 LEU A 12 1.927 -2.000 1.205 1.00 72.10 C ATOM 0 H LEU A 12 4.170 -5.389 -1.606 1.00 31.34 H new ATOM 0 HA LEU A 12 1.926 -3.852 -2.683 1.00 40.14 H new ATOM 0 HB2 LEU A 12 1.894 -4.381 -0.301 1.00 74.52 H new ATOM 0 HB3 LEU A 12 3.499 -3.711 -0.083 1.00 74.52 H new ATOM 0 HG LEU A 12 2.579 -1.453 -0.749 1.00 32.23 H new ATOM 0 HD11 LEU A 12 0.136 -1.119 -0.640 1.00 51.32 H new ATOM 0 HD12 LEU A 12 0.603 -2.195 -1.979 1.00 51.32 H new ATOM 0 HD13 LEU A 12 -0.091 -2.878 -0.489 1.00 51.32 H new ATOM 0 HD21 LEU A 12 1.487 -1.026 1.420 1.00 72.10 H new ATOM 0 HD22 LEU A 12 1.332 -2.780 1.680 1.00 72.10 H new ATOM 0 HD23 LEU A 12 2.944 -2.032 1.595 1.00 72.10 H new ATOM 182 N LYS A 13 3.116 -1.816 -3.492 1.00 70.22 N ATOM 183 CA LYS A 13 3.780 -0.613 -3.991 1.00 44.54 C ATOM 184 C LYS A 13 3.097 0.655 -3.469 1.00 64.21 C ATOM 185 O LYS A 13 1.869 0.723 -3.377 1.00 42.13 O ATOM 186 CB LYS A 13 3.780 -0.591 -5.519 1.00 12.31 C ATOM 187 CG LYS A 13 4.520 -1.759 -6.158 1.00 21.32 C ATOM 188 CD LYS A 13 4.452 -1.682 -7.677 1.00 42.43 C ATOM 189 CE LYS A 13 3.008 -1.649 -8.161 1.00 5.02 C ATOM 190 NZ LYS A 13 2.902 -1.714 -9.641 1.00 44.41 N ATOM 0 H LYS A 13 2.167 -1.947 -3.843 1.00 70.22 H new ATOM 0 HA LYS A 13 4.808 -0.635 -3.628 1.00 44.54 H new ATOM 0 HB2 LYS A 13 2.749 -0.592 -5.872 1.00 12.31 H new ATOM 0 HB3 LYS A 13 4.232 0.341 -5.858 1.00 12.31 H new ATOM 0 HG2 LYS A 13 5.561 -1.754 -5.836 1.00 21.32 H new ATOM 0 HG3 LYS A 13 4.086 -2.699 -5.818 1.00 21.32 H new ATOM 0 HD2 LYS A 13 4.975 -0.790 -8.023 1.00 42.43 H new ATOM 0 HD3 LYS A 13 4.965 -2.541 -8.111 1.00 42.43 H new ATOM 0 HE2 LYS A 13 2.463 -2.485 -7.724 1.00 5.02 H new ATOM 0 HE3 LYS A 13 2.530 -0.736 -7.806 1.00 5.02 H new ATOM 0 HZ1 LYS A 13 2.348 -0.904 -9.985 1.00 44.41 H new ATOM 0 HZ2 LYS A 13 3.854 -1.685 -10.059 1.00 44.41 H new ATOM 0 HZ3 LYS A 13 2.430 -2.599 -9.917 1.00 44.41 H new ATOM 204 N VAL A 14 3.901 1.657 -3.131 1.00 2.51 N ATOM 205 CA VAL A 14 3.388 2.955 -2.687 1.00 23.02 C ATOM 206 C VAL A 14 3.992 4.105 -3.508 1.00 65.12 C ATOM 207 O VAL A 14 5.190 4.389 -3.426 1.00 73.34 O ATOM 208 CB VAL A 14 3.665 3.191 -1.181 1.00 43.31 C ATOM 209 CG1 VAL A 14 3.227 4.594 -0.761 1.00 44.42 C ATOM 210 CG2 VAL A 14 2.967 2.128 -0.332 1.00 33.11 C ATOM 0 H VAL A 14 4.919 1.597 -3.155 1.00 2.51 H new ATOM 0 HA VAL A 14 2.310 2.938 -2.844 1.00 23.02 H new ATOM 0 HB VAL A 14 4.739 3.109 -1.015 1.00 43.31 H new ATOM 0 HG11 VAL A 14 3.431 4.737 0.300 1.00 44.42 H new ATOM 0 HG12 VAL A 14 3.778 5.336 -1.339 1.00 44.42 H new ATOM 0 HG13 VAL A 14 2.159 4.712 -0.944 1.00 44.42 H new ATOM 0 HG21 VAL A 14 3.174 2.311 0.722 1.00 33.11 H new ATOM 0 HG22 VAL A 14 1.892 2.173 -0.504 1.00 33.11 H new ATOM 0 HG23 VAL A 14 3.337 1.141 -0.608 1.00 33.11 H new ATOM 220 N LEU A 15 3.156 4.753 -4.312 1.00 52.12 N ATOM 221 CA LEU A 15 3.574 5.918 -5.091 1.00 44.23 C ATOM 222 C LEU A 15 3.531 7.170 -4.195 1.00 20.33 C ATOM 223 O LEU A 15 2.463 7.722 -3.925 1.00 64.42 O ATOM 224 CB LEU A 15 2.660 6.077 -6.327 1.00 70.30 C ATOM 225 CG LEU A 15 3.267 6.811 -7.540 1.00 0.34 C ATOM 226 CD1 LEU A 15 2.295 6.782 -8.716 1.00 31.45 C ATOM 227 CD2 LEU A 15 3.642 8.250 -7.197 1.00 40.11 C ATOM 0 H LEU A 15 2.179 4.491 -4.443 1.00 52.12 H new ATOM 0 HA LEU A 15 4.596 5.783 -5.446 1.00 44.23 H new ATOM 0 HB2 LEU A 15 2.347 5.084 -6.650 1.00 70.30 H new ATOM 0 HB3 LEU A 15 1.760 6.611 -6.020 1.00 70.30 H new ATOM 0 HG LEU A 15 4.182 6.289 -7.820 1.00 0.34 H new ATOM 0 HD11 LEU A 15 2.736 7.304 -9.565 1.00 31.45 H new ATOM 0 HD12 LEU A 15 2.089 5.748 -8.992 1.00 31.45 H new ATOM 0 HD13 LEU A 15 1.365 7.274 -8.431 1.00 31.45 H new ATOM 0 HD21 LEU A 15 4.066 8.735 -8.076 1.00 40.11 H new ATOM 0 HD22 LEU A 15 2.752 8.792 -6.878 1.00 40.11 H new ATOM 0 HD23 LEU A 15 4.376 8.253 -6.391 1.00 40.11 H new ATOM 239 N TRP A 16 4.699 7.586 -3.716 1.00 12.55 N ATOM 240 CA TRP A 16 4.807 8.702 -2.769 1.00 43.34 C ATOM 241 C TRP A 16 4.801 10.057 -3.496 1.00 13.04 C ATOM 242 O TRP A 16 5.642 10.308 -4.363 1.00 50.42 O ATOM 243 CB TRP A 16 6.097 8.549 -1.947 1.00 74.13 C ATOM 244 CG TRP A 16 6.195 9.486 -0.777 1.00 15.04 C ATOM 245 CD1 TRP A 16 6.584 10.797 -0.797 1.00 33.13 C ATOM 246 CD2 TRP A 16 5.915 9.174 0.592 1.00 23.13 C ATOM 247 NE1 TRP A 16 6.558 11.315 0.473 1.00 52.21 N ATOM 248 CE2 TRP A 16 6.149 10.340 1.344 1.00 53.14 C ATOM 249 CE3 TRP A 16 5.485 8.020 1.253 1.00 43.25 C ATOM 250 CZ2 TRP A 16 5.969 10.385 2.722 1.00 43.31 C ATOM 251 CZ3 TRP A 16 5.306 8.065 2.623 1.00 11.42 C ATOM 252 CH2 TRP A 16 5.546 9.241 3.345 1.00 70.33 C ATOM 0 H TRP A 16 5.594 7.166 -3.968 1.00 12.55 H new ATOM 0 HA TRP A 16 3.942 8.678 -2.106 1.00 43.34 H new ATOM 0 HB2 TRP A 16 6.164 7.523 -1.584 1.00 74.13 H new ATOM 0 HB3 TRP A 16 6.953 8.712 -2.601 1.00 74.13 H new ATOM 0 HD1 TRP A 16 6.870 11.344 -1.683 1.00 33.13 H new ATOM 0 HE1 TRP A 16 6.804 12.272 0.728 1.00 52.21 H new ATOM 0 HE3 TRP A 16 5.296 7.110 0.703 1.00 43.25 H new ATOM 0 HZ2 TRP A 16 6.156 11.290 3.281 1.00 43.31 H new ATOM 0 HZ3 TRP A 16 4.976 7.179 3.145 1.00 11.42 H new ATOM 0 HH2 TRP A 16 5.394 9.246 4.414 1.00 70.33 H new ATOM 263 N LEU A 17 3.850 10.922 -3.138 1.00 64.32 N ATOM 264 CA LEU A 17 3.760 12.273 -3.713 1.00 53.32 C ATOM 265 C LEU A 17 3.726 13.349 -2.614 1.00 1.01 C ATOM 266 O LEU A 17 3.658 13.040 -1.422 1.00 20.43 O ATOM 267 CB LEU A 17 2.511 12.394 -4.604 1.00 15.01 C ATOM 268 CG LEU A 17 2.510 11.518 -5.868 1.00 54.03 C ATOM 269 CD1 LEU A 17 1.188 11.652 -6.620 1.00 74.22 C ATOM 270 CD2 LEU A 17 3.686 11.880 -6.776 1.00 21.15 C ATOM 0 H LEU A 17 3.127 10.713 -2.450 1.00 64.32 H new ATOM 0 HA LEU A 17 4.651 12.435 -4.320 1.00 53.32 H new ATOM 0 HB2 LEU A 17 1.635 12.141 -4.007 1.00 15.01 H new ATOM 0 HB3 LEU A 17 2.401 13.436 -4.905 1.00 15.01 H new ATOM 0 HG LEU A 17 2.622 10.478 -5.561 1.00 54.03 H new ATOM 0 HD11 LEU A 17 1.211 11.024 -7.510 1.00 74.22 H new ATOM 0 HD12 LEU A 17 0.368 11.337 -5.974 1.00 74.22 H new ATOM 0 HD13 LEU A 17 1.040 12.691 -6.913 1.00 74.22 H new ATOM 0 HD21 LEU A 17 3.667 11.249 -7.665 1.00 21.15 H new ATOM 0 HD22 LEU A 17 3.608 12.926 -7.072 1.00 21.15 H new ATOM 0 HD23 LEU A 17 4.622 11.723 -6.239 1.00 21.15 H new ATOM 282 N ASP A 18 3.759 14.615 -3.029 1.00 62.00 N ATOM 283 CA ASP A 18 3.770 15.747 -2.095 1.00 2.40 C ATOM 284 C ASP A 18 2.460 15.835 -1.293 1.00 12.44 C ATOM 285 O ASP A 18 2.471 15.873 -0.062 1.00 65.33 O ATOM 286 CB ASP A 18 3.995 17.050 -2.870 1.00 70.35 C ATOM 287 CG ASP A 18 5.219 16.975 -3.766 1.00 63.13 C ATOM 288 OD1 ASP A 18 5.108 16.442 -4.889 1.00 54.51 O ATOM 289 OD2 ASP A 18 6.301 17.439 -3.352 1.00 74.00 O ATOM 0 H ASP A 18 3.779 14.886 -4.012 1.00 62.00 H new ATOM 0 HA ASP A 18 4.583 15.592 -1.386 1.00 2.40 H new ATOM 0 HB2 ASP A 18 3.115 17.268 -3.476 1.00 70.35 H new ATOM 0 HB3 ASP A 18 4.110 17.875 -2.167 1.00 70.35 H new ATOM 294 N GLN A 19 1.333 15.876 -2.003 1.00 65.22 N ATOM 295 CA GLN A 19 0.010 15.971 -1.364 1.00 73.24 C ATOM 296 C GLN A 19 -0.845 14.720 -1.636 1.00 54.11 C ATOM 297 O GLN A 19 -2.070 14.742 -1.483 1.00 14.10 O ATOM 298 CB GLN A 19 -0.717 17.231 -1.858 1.00 21.44 C ATOM 299 CG GLN A 19 -0.047 18.537 -1.436 1.00 33.30 C ATOM 300 CD GLN A 19 -0.017 18.728 0.073 1.00 20.32 C ATOM 301 OE1 GLN A 19 -0.894 18.260 0.790 1.00 14.50 O ATOM 302 NE2 GLN A 19 0.996 19.412 0.571 1.00 32.10 N ATOM 0 H GLN A 19 1.304 15.845 -3.022 1.00 65.22 H new ATOM 0 HA GLN A 19 0.160 16.037 -0.286 1.00 73.24 H new ATOM 0 HB2 GLN A 19 -0.778 17.200 -2.946 1.00 21.44 H new ATOM 0 HB3 GLN A 19 -1.740 17.220 -1.481 1.00 21.44 H new ATOM 0 HG2 GLN A 19 0.973 18.556 -1.820 1.00 33.30 H new ATOM 0 HG3 GLN A 19 -0.575 19.374 -1.892 1.00 33.30 H new ATOM 0 HE21 GLN A 19 1.711 19.790 -0.051 1.00 32.10 H new ATOM 0 HE22 GLN A 19 1.064 19.563 1.577 1.00 32.10 H new ATOM 311 N ASN A 20 -0.189 13.622 -2.015 1.00 12.24 N ATOM 312 CA ASN A 20 -0.883 12.363 -2.321 1.00 34.42 C ATOM 313 C ASN A 20 -0.033 11.140 -1.956 1.00 20.34 C ATOM 314 O ASN A 20 1.194 11.218 -1.869 1.00 25.13 O ATOM 315 CB ASN A 20 -1.238 12.285 -3.811 1.00 33.22 C ATOM 316 CG ASN A 20 -2.159 13.398 -4.253 1.00 65.13 C ATOM 317 OD1 ASN A 20 -1.720 14.442 -4.721 1.00 74.30 O ATOM 318 ND2 ASN A 20 -3.448 13.192 -4.091 1.00 33.31 N ATOM 0 H ASN A 20 0.825 13.576 -2.119 1.00 12.24 H new ATOM 0 HA ASN A 20 -1.792 12.354 -1.720 1.00 34.42 H new ATOM 0 HB2 ASN A 20 -0.322 12.322 -4.400 1.00 33.22 H new ATOM 0 HB3 ASN A 20 -1.711 11.325 -4.017 1.00 33.22 H new ATOM 0 HD21 ASN A 20 -4.117 13.914 -4.358 1.00 33.31 H new ATOM 0 HD22 ASN A 20 -3.778 12.310 -3.698 1.00 33.31 H new ATOM 325 N VAL A 21 -0.702 10.012 -1.752 1.00 11.21 N ATOM 326 CA VAL A 21 -0.032 8.724 -1.572 1.00 45.10 C ATOM 327 C VAL A 21 -0.874 7.616 -2.240 1.00 72.34 C ATOM 328 O VAL A 21 -2.077 7.498 -1.995 1.00 22.25 O ATOM 329 CB VAL A 21 0.212 8.410 -0.062 1.00 65.14 C ATOM 330 CG1 VAL A 21 -1.022 7.826 0.615 1.00 35.22 C ATOM 331 CG2 VAL A 21 1.411 7.490 0.130 1.00 44.24 C ATOM 0 H VAL A 21 -1.720 9.961 -1.706 1.00 11.21 H new ATOM 0 HA VAL A 21 0.948 8.768 -2.048 1.00 45.10 H new ATOM 0 HB VAL A 21 0.429 9.364 0.419 1.00 65.14 H new ATOM 0 HG11 VAL A 21 -0.801 7.625 1.663 1.00 35.22 H new ATOM 0 HG12 VAL A 21 -1.845 8.537 0.548 1.00 35.22 H new ATOM 0 HG13 VAL A 21 -1.304 6.897 0.119 1.00 35.22 H new ATOM 0 HG21 VAL A 21 1.552 7.293 1.193 1.00 44.24 H new ATOM 0 HG22 VAL A 21 1.236 6.550 -0.394 1.00 44.24 H new ATOM 0 HG23 VAL A 21 2.304 7.968 -0.271 1.00 44.24 H new ATOM 341 N ALA A 22 -0.264 6.840 -3.130 1.00 51.41 N ATOM 342 CA ALA A 22 -0.999 5.799 -3.863 1.00 20.31 C ATOM 343 C ALA A 22 -0.503 4.393 -3.516 1.00 73.21 C ATOM 344 O ALA A 22 0.696 4.148 -3.457 1.00 44.43 O ATOM 345 CB ALA A 22 -0.899 6.043 -5.364 1.00 72.21 C ATOM 0 H ALA A 22 0.727 6.906 -3.364 1.00 51.41 H new ATOM 0 HA ALA A 22 -2.044 5.858 -3.558 1.00 20.31 H new ATOM 0 HB1 ALA A 22 -1.447 5.266 -5.896 1.00 72.21 H new ATOM 0 HB2 ALA A 22 -1.326 7.017 -5.604 1.00 72.21 H new ATOM 0 HB3 ALA A 22 0.148 6.021 -5.667 1.00 72.21 H new ATOM 351 N ILE A 23 -1.434 3.473 -3.291 1.00 24.34 N ATOM 352 CA ILE A 23 -1.092 2.080 -2.972 1.00 73.13 C ATOM 353 C ILE A 23 -1.592 1.116 -4.058 1.00 43.14 C ATOM 354 O ILE A 23 -2.680 1.297 -4.610 1.00 44.24 O ATOM 355 CB ILE A 23 -1.672 1.658 -1.597 1.00 25.21 C ATOM 356 CG1 ILE A 23 -3.198 1.870 -1.562 1.00 33.23 C ATOM 357 CG2 ILE A 23 -0.992 2.433 -0.467 1.00 14.11 C ATOM 358 CD1 ILE A 23 -3.840 1.520 -0.233 1.00 63.33 C ATOM 0 H ILE A 23 -2.436 3.661 -3.322 1.00 24.34 H new ATOM 0 HA ILE A 23 -0.004 2.024 -2.928 1.00 73.13 H new ATOM 0 HB ILE A 23 -1.473 0.596 -1.452 1.00 25.21 H new ATOM 0 HG12 ILE A 23 -3.415 2.912 -1.795 1.00 33.23 H new ATOM 0 HG13 ILE A 23 -3.656 1.266 -2.345 1.00 33.23 H new ATOM 0 HG21 ILE A 23 -1.412 2.124 0.490 1.00 14.11 H new ATOM 0 HG22 ILE A 23 0.078 2.227 -0.477 1.00 14.11 H new ATOM 0 HG23 ILE A 23 -1.157 3.501 -0.608 1.00 14.11 H new ATOM 0 HD11 ILE A 23 -4.914 1.697 -0.290 1.00 63.33 H new ATOM 0 HD12 ILE A 23 -3.656 0.470 -0.006 1.00 63.33 H new ATOM 0 HD13 ILE A 23 -3.411 2.142 0.553 1.00 63.33 H new ATOM 370 N ALA A 24 -0.784 0.100 -4.369 1.00 33.43 N ATOM 371 CA ALA A 24 -1.147 -0.910 -5.375 1.00 52.02 C ATOM 372 C ALA A 24 -0.376 -2.224 -5.164 1.00 25.31 C ATOM 373 O ALA A 24 0.854 -2.226 -5.077 1.00 0.42 O ATOM 374 CB ALA A 24 -0.894 -0.374 -6.781 1.00 64.42 C ATOM 0 H ALA A 24 0.129 -0.048 -3.939 1.00 33.43 H new ATOM 0 HA ALA A 24 -2.210 -1.123 -5.258 1.00 52.02 H new ATOM 0 HB1 ALA A 24 -1.167 -1.133 -7.514 1.00 64.42 H new ATOM 0 HB2 ALA A 24 -1.495 0.521 -6.943 1.00 64.42 H new ATOM 0 HB3 ALA A 24 0.162 -0.126 -6.891 1.00 64.42 H new ATOM 380 N VAL A 25 -1.105 -3.334 -5.075 1.00 41.20 N ATOM 381 CA VAL A 25 -0.497 -4.661 -4.903 1.00 1.11 C ATOM 382 C VAL A 25 -0.452 -5.447 -6.228 1.00 74.53 C ATOM 383 O VAL A 25 -1.454 -5.542 -6.940 1.00 53.31 O ATOM 384 CB VAL A 25 -1.271 -5.496 -3.848 1.00 1.40 C ATOM 385 CG1 VAL A 25 -0.633 -6.874 -3.667 1.00 71.02 C ATOM 386 CG2 VAL A 25 -1.344 -4.751 -2.515 1.00 54.31 C ATOM 0 H VAL A 25 -2.124 -3.345 -5.119 1.00 41.20 H new ATOM 0 HA VAL A 25 0.524 -4.493 -4.560 1.00 1.11 H new ATOM 0 HB VAL A 25 -2.288 -5.641 -4.212 1.00 1.40 H new ATOM 0 HG11 VAL A 25 -1.194 -7.440 -2.923 1.00 71.02 H new ATOM 0 HG12 VAL A 25 -0.648 -7.409 -4.616 1.00 71.02 H new ATOM 0 HG13 VAL A 25 0.398 -6.757 -3.333 1.00 71.02 H new ATOM 0 HG21 VAL A 25 -1.891 -5.354 -1.790 1.00 54.31 H new ATOM 0 HG22 VAL A 25 -0.335 -4.566 -2.146 1.00 54.31 H new ATOM 0 HG23 VAL A 25 -1.858 -3.800 -2.657 1.00 54.31 H new ATOM 396 N ASP A 26 0.717 -6.001 -6.552 1.00 73.15 N ATOM 397 CA ASP A 26 0.877 -6.867 -7.730 1.00 11.33 C ATOM 398 C ASP A 26 1.131 -8.324 -7.308 1.00 10.23 C ATOM 399 O ASP A 26 1.609 -8.583 -6.202 1.00 2.34 O ATOM 400 CB ASP A 26 2.033 -6.370 -8.614 1.00 42.25 C ATOM 401 CG ASP A 26 1.773 -5.005 -9.234 1.00 42.34 C ATOM 402 OD1 ASP A 26 0.608 -4.550 -9.242 1.00 64.22 O ATOM 403 OD2 ASP A 26 2.738 -4.384 -9.734 1.00 21.33 O ATOM 0 H ASP A 26 1.573 -5.867 -6.015 1.00 73.15 H new ATOM 0 HA ASP A 26 -0.049 -6.826 -8.304 1.00 11.33 H new ATOM 0 HB2 ASP A 26 2.943 -6.322 -8.017 1.00 42.25 H new ATOM 0 HB3 ASP A 26 2.211 -7.094 -9.409 1.00 42.25 H new ATOM 408 N GLN A 27 0.819 -9.271 -8.192 1.00 71.45 N ATOM 409 CA GLN A 27 0.994 -10.699 -7.886 1.00 72.42 C ATOM 410 C GLN A 27 2.250 -11.283 -8.564 1.00 54.21 C ATOM 411 O GLN A 27 2.532 -11.010 -9.736 1.00 50.42 O ATOM 412 CB GLN A 27 -0.255 -11.499 -8.299 1.00 4.51 C ATOM 413 CG GLN A 27 -0.556 -11.479 -9.797 1.00 4.23 C ATOM 414 CD GLN A 27 -1.777 -12.314 -10.157 1.00 42.31 C ATOM 415 OE1 GLN A 27 -2.897 -11.820 -10.203 1.00 30.10 O ATOM 416 NE2 GLN A 27 -1.572 -13.594 -10.403 1.00 13.01 N ATOM 0 H GLN A 27 0.445 -9.082 -9.122 1.00 71.45 H new ATOM 0 HA GLN A 27 1.130 -10.784 -6.808 1.00 72.42 H new ATOM 0 HB2 GLN A 27 -0.129 -12.534 -7.981 1.00 4.51 H new ATOM 0 HB3 GLN A 27 -1.118 -11.103 -7.763 1.00 4.51 H new ATOM 0 HG2 GLN A 27 -0.716 -10.450 -10.119 1.00 4.23 H new ATOM 0 HG3 GLN A 27 0.310 -11.853 -10.343 1.00 4.23 H new ATOM 0 HE21 GLN A 27 -0.628 -13.977 -10.357 1.00 13.01 H new ATOM 0 HE22 GLN A 27 -2.358 -14.200 -10.639 1.00 13.01 H new ATOM 425 N ILE A 28 3.004 -12.085 -7.814 1.00 25.11 N ATOM 426 CA ILE A 28 4.203 -12.749 -8.336 1.00 11.12 C ATOM 427 C ILE A 28 3.845 -14.067 -9.043 1.00 43.22 C ATOM 428 O ILE A 28 3.406 -15.028 -8.411 1.00 42.05 O ATOM 429 CB ILE A 28 5.237 -13.028 -7.211 1.00 22.22 C ATOM 430 CG1 ILE A 28 5.657 -11.711 -6.533 1.00 41.41 C ATOM 431 CG2 ILE A 28 6.459 -13.762 -7.771 1.00 23.01 C ATOM 432 CD1 ILE A 28 6.689 -11.887 -5.437 1.00 33.43 C ATOM 0 H ILE A 28 2.806 -12.293 -6.835 1.00 25.11 H new ATOM 0 HA ILE A 28 4.651 -12.068 -9.059 1.00 11.12 H new ATOM 0 HB ILE A 28 4.770 -13.668 -6.463 1.00 22.22 H new ATOM 0 HG12 ILE A 28 6.056 -11.035 -7.290 1.00 41.41 H new ATOM 0 HG13 ILE A 28 4.773 -11.232 -6.113 1.00 41.41 H new ATOM 0 HG21 ILE A 28 7.171 -13.948 -6.967 1.00 23.01 H new ATOM 0 HG22 ILE A 28 6.146 -14.711 -8.205 1.00 23.01 H new ATOM 0 HG23 ILE A 28 6.931 -13.150 -8.539 1.00 23.01 H new ATOM 0 HD11 ILE A 28 6.934 -10.915 -5.008 1.00 33.43 H new ATOM 0 HD12 ILE A 28 6.287 -12.536 -4.659 1.00 33.43 H new ATOM 0 HD13 ILE A 28 7.590 -12.336 -5.854 1.00 33.43 H new ATOM 444 N VAL A 29 4.042 -14.097 -10.357 1.00 4.14 N ATOM 445 CA VAL A 29 3.714 -15.268 -11.173 1.00 42.13 C ATOM 446 C VAL A 29 4.903 -16.249 -11.230 1.00 43.44 C ATOM 447 O VAL A 29 6.044 -15.862 -10.981 1.00 14.14 O ATOM 448 CB VAL A 29 3.318 -14.827 -12.611 1.00 55.24 C ATOM 449 CG1 VAL A 29 2.814 -16.005 -13.440 1.00 22.23 C ATOM 450 CG2 VAL A 29 2.270 -13.715 -12.556 1.00 65.21 C ATOM 0 H VAL A 29 4.431 -13.317 -10.887 1.00 4.14 H new ATOM 0 HA VAL A 29 2.869 -15.779 -10.711 1.00 42.13 H new ATOM 0 HB VAL A 29 4.212 -14.442 -13.101 1.00 55.24 H new ATOM 0 HG11 VAL A 29 2.547 -15.659 -14.439 1.00 22.23 H new ATOM 0 HG12 VAL A 29 3.598 -16.759 -13.515 1.00 22.23 H new ATOM 0 HG13 VAL A 29 1.937 -16.439 -12.960 1.00 22.23 H new ATOM 0 HG21 VAL A 29 2.003 -13.417 -13.570 1.00 65.21 H new ATOM 0 HG22 VAL A 29 1.382 -14.077 -12.038 1.00 65.21 H new ATOM 0 HG23 VAL A 29 2.677 -12.857 -12.021 1.00 65.21 H new ATOM 460 N GLY A 30 4.630 -17.513 -11.573 1.00 5.14 N ATOM 461 CA GLY A 30 5.676 -18.539 -11.612 1.00 31.30 C ATOM 462 C GLY A 30 6.882 -18.176 -12.483 1.00 55.12 C ATOM 463 O GLY A 30 7.951 -18.774 -12.353 1.00 22.00 O ATOM 0 H GLY A 30 3.700 -17.848 -11.826 1.00 5.14 H new ATOM 0 HA2 GLY A 30 6.021 -18.729 -10.595 1.00 31.30 H new ATOM 0 HA3 GLY A 30 5.243 -19.469 -11.981 1.00 31.30 H new ATOM 467 N LYS A 31 6.705 -17.214 -13.388 1.00 1.22 N ATOM 468 CA LYS A 31 7.811 -16.715 -14.217 1.00 12.22 C ATOM 469 C LYS A 31 8.347 -15.376 -13.677 1.00 51.41 C ATOM 470 O LYS A 31 9.555 -15.203 -13.505 1.00 41.31 O ATOM 471 CB LYS A 31 7.359 -16.546 -15.678 1.00 53.41 C ATOM 472 CG LYS A 31 8.463 -16.045 -16.609 1.00 54.04 C ATOM 473 CD LYS A 31 7.983 -15.912 -18.052 1.00 70.22 C ATOM 474 CE LYS A 31 6.881 -14.866 -18.198 1.00 22.23 C ATOM 475 NZ LYS A 31 6.371 -14.789 -19.594 1.00 11.23 N ATOM 0 H LYS A 31 5.808 -16.762 -13.569 1.00 1.22 H new ATOM 0 HA LYS A 31 8.614 -17.451 -14.177 1.00 12.22 H new ATOM 0 HB2 LYS A 31 6.990 -17.503 -16.048 1.00 53.41 H new ATOM 0 HB3 LYS A 31 6.523 -15.848 -15.712 1.00 53.41 H new ATOM 0 HG2 LYS A 31 8.822 -15.078 -16.257 1.00 54.04 H new ATOM 0 HG3 LYS A 31 9.308 -16.732 -16.571 1.00 54.04 H new ATOM 0 HD2 LYS A 31 8.825 -15.642 -18.690 1.00 70.22 H new ATOM 0 HD3 LYS A 31 7.615 -16.877 -18.401 1.00 70.22 H new ATOM 0 HE2 LYS A 31 6.059 -15.108 -17.524 1.00 22.23 H new ATOM 0 HE3 LYS A 31 7.264 -13.891 -17.897 1.00 22.23 H new ATOM 0 HZ1 LYS A 31 5.624 -14.067 -19.651 1.00 11.23 H new ATOM 0 HZ2 LYS A 31 7.150 -14.533 -20.234 1.00 11.23 H new ATOM 0 HZ3 LYS A 31 5.982 -15.712 -19.873 1.00 11.23 H new ATOM 489 N GLY A 32 7.439 -14.440 -13.397 1.00 24.12 N ATOM 490 CA GLY A 32 7.840 -13.119 -12.911 1.00 73.03 C ATOM 491 C GLY A 32 6.755 -12.423 -12.085 1.00 40.30 C ATOM 492 O GLY A 32 6.365 -12.909 -11.026 1.00 31.10 O ATOM 0 H GLY A 32 6.432 -14.569 -13.497 1.00 24.12 H new ATOM 0 HA2 GLY A 32 8.740 -13.220 -12.304 1.00 73.03 H new ATOM 0 HA3 GLY A 32 8.099 -12.489 -13.762 1.00 73.03 H new ATOM 496 N THR A 33 6.257 -11.285 -12.570 1.00 71.12 N ATOM 497 CA THR A 33 5.239 -10.499 -11.841 1.00 3.14 C ATOM 498 C THR A 33 4.160 -9.947 -12.786 1.00 62.23 C ATOM 499 O THR A 33 4.383 -9.810 -13.994 1.00 14.21 O ATOM 500 CB THR A 33 5.867 -9.310 -11.064 1.00 34.23 C ATOM 501 OG1 THR A 33 6.617 -8.469 -11.955 1.00 73.14 O ATOM 502 CG2 THR A 33 6.774 -9.795 -9.933 1.00 33.23 C ATOM 0 H THR A 33 6.537 -10.880 -13.464 1.00 71.12 H new ATOM 0 HA THR A 33 4.783 -11.191 -11.132 1.00 3.14 H new ATOM 0 HB THR A 33 5.049 -8.738 -10.626 1.00 34.23 H new ATOM 0 HG1 THR A 33 7.005 -7.723 -11.452 1.00 73.14 H new ATOM 0 HG21 THR A 33 7.196 -8.936 -9.411 1.00 33.23 H new ATOM 0 HG22 THR A 33 6.193 -10.395 -9.233 1.00 33.23 H new ATOM 0 HG23 THR A 33 7.581 -10.400 -10.347 1.00 33.23 H new ATOM 510 N SER A 34 2.988 -9.639 -12.231 1.00 55.31 N ATOM 511 CA SER A 34 1.879 -9.063 -13.011 1.00 45.40 C ATOM 512 C SER A 34 1.027 -8.115 -12.149 1.00 35.21 C ATOM 513 O SER A 34 0.741 -8.414 -10.986 1.00 42.04 O ATOM 514 CB SER A 34 0.988 -10.174 -13.587 1.00 30.43 C ATOM 515 OG SER A 34 -0.040 -9.643 -14.416 1.00 50.35 O ATOM 0 H SER A 34 2.776 -9.777 -11.243 1.00 55.31 H new ATOM 0 HA SER A 34 2.316 -8.492 -13.830 1.00 45.40 H new ATOM 0 HB2 SER A 34 1.599 -10.869 -14.163 1.00 30.43 H new ATOM 0 HB3 SER A 34 0.541 -10.743 -12.771 1.00 30.43 H new ATOM 0 HG SER A 34 -0.588 -10.376 -14.768 1.00 50.35 H new ATOM 521 N PRO A 35 0.608 -6.958 -12.706 1.00 73.30 N ATOM 522 CA PRO A 35 -0.223 -5.978 -11.976 1.00 43.34 C ATOM 523 C PRO A 35 -1.589 -6.548 -11.545 1.00 72.54 C ATOM 524 O PRO A 35 -2.400 -6.954 -12.382 1.00 74.42 O ATOM 525 CB PRO A 35 -0.399 -4.830 -12.986 1.00 53.45 C ATOM 526 CG PRO A 35 -0.119 -5.439 -14.318 1.00 72.33 C ATOM 527 CD PRO A 35 0.909 -6.509 -14.077 1.00 25.02 C ATOM 0 HA PRO A 35 0.247 -5.670 -11.042 1.00 43.34 H new ATOM 0 HB2 PRO A 35 -1.408 -4.419 -12.944 1.00 53.45 H new ATOM 0 HB3 PRO A 35 0.288 -4.010 -12.775 1.00 53.45 H new ATOM 0 HG2 PRO A 35 -1.026 -5.860 -14.753 1.00 72.33 H new ATOM 0 HG3 PRO A 35 0.253 -4.691 -15.018 1.00 72.33 H new ATOM 0 HD2 PRO A 35 0.820 -7.323 -14.797 1.00 25.02 H new ATOM 0 HD3 PRO A 35 1.924 -6.119 -14.160 1.00 25.02 H new ATOM 535 N LEU A 36 -1.838 -6.567 -10.235 1.00 11.02 N ATOM 536 CA LEU A 36 -3.074 -7.143 -9.683 1.00 72.21 C ATOM 537 C LEU A 36 -4.126 -6.061 -9.371 1.00 31.44 C ATOM 538 O LEU A 36 -5.320 -6.244 -9.623 1.00 33.23 O ATOM 539 CB LEU A 36 -2.754 -7.937 -8.406 1.00 42.51 C ATOM 540 CG LEU A 36 -3.962 -8.572 -7.696 1.00 33.02 C ATOM 541 CD1 LEU A 36 -4.612 -9.639 -8.575 1.00 35.21 C ATOM 542 CD2 LEU A 36 -3.548 -9.156 -6.346 1.00 74.44 C ATOM 0 H LEU A 36 -1.202 -6.191 -9.532 1.00 11.02 H new ATOM 0 HA LEU A 36 -3.494 -7.806 -10.439 1.00 72.21 H new ATOM 0 HB2 LEU A 36 -2.048 -8.728 -8.659 1.00 42.51 H new ATOM 0 HB3 LEU A 36 -2.251 -7.273 -7.703 1.00 42.51 H new ATOM 0 HG LEU A 36 -4.700 -7.790 -7.516 1.00 33.02 H new ATOM 0 HD11 LEU A 36 -5.463 -10.073 -8.051 1.00 35.21 H new ATOM 0 HD12 LEU A 36 -4.952 -9.186 -9.506 1.00 35.21 H new ATOM 0 HD13 LEU A 36 -3.885 -10.421 -8.796 1.00 35.21 H new ATOM 0 HD21 LEU A 36 -4.417 -9.600 -5.860 1.00 74.44 H new ATOM 0 HD22 LEU A 36 -2.787 -9.921 -6.499 1.00 74.44 H new ATOM 0 HD23 LEU A 36 -3.145 -8.364 -5.715 1.00 74.44 H new ATOM 554 N THR A 37 -3.679 -4.935 -8.811 1.00 12.54 N ATOM 555 CA THR A 37 -4.590 -3.843 -8.411 1.00 11.11 C ATOM 556 C THR A 37 -4.095 -2.475 -8.897 1.00 62.11 C ATOM 557 O THR A 37 -2.898 -2.278 -9.130 1.00 50.53 O ATOM 558 CB THR A 37 -4.782 -3.786 -6.871 1.00 61.35 C ATOM 559 OG1 THR A 37 -3.512 -3.675 -6.216 1.00 32.43 O ATOM 560 CG2 THR A 37 -5.512 -5.026 -6.359 1.00 73.23 C ATOM 0 H THR A 37 -2.694 -4.749 -8.621 1.00 12.54 H new ATOM 0 HA THR A 37 -5.546 -4.065 -8.885 1.00 11.11 H new ATOM 0 HB THR A 37 -5.387 -2.908 -6.644 1.00 61.35 H new ATOM 0 HG1 THR A 37 -2.946 -4.434 -6.469 1.00 32.43 H new ATOM 0 HG21 THR A 37 -5.632 -4.957 -5.278 1.00 73.23 H new ATOM 0 HG22 THR A 37 -6.493 -5.091 -6.829 1.00 73.23 H new ATOM 0 HG23 THR A 37 -4.933 -5.916 -6.604 1.00 73.23 H new ATOM 568 N SER A 38 -5.027 -1.535 -9.051 1.00 10.34 N ATOM 569 CA SER A 38 -4.704 -0.179 -9.522 1.00 72.33 C ATOM 570 C SER A 38 -4.172 0.709 -8.390 1.00 31.44 C ATOM 571 O SER A 38 -4.328 0.397 -7.210 1.00 73.13 O ATOM 572 CB SER A 38 -5.949 0.478 -10.139 1.00 73.43 C ATOM 573 OG SER A 38 -5.660 1.780 -10.634 1.00 13.41 O ATOM 0 H SER A 38 -6.017 -1.684 -8.857 1.00 10.34 H new ATOM 0 HA SER A 38 -3.922 -0.276 -10.275 1.00 72.33 H new ATOM 0 HB2 SER A 38 -6.327 -0.145 -10.950 1.00 73.43 H new ATOM 0 HB3 SER A 38 -6.738 0.539 -9.390 1.00 73.43 H new ATOM 0 HG SER A 38 -6.471 2.170 -11.021 1.00 13.41 H new ATOM 579 N TYR A 39 -3.557 1.830 -8.761 1.00 34.44 N ATOM 580 CA TYR A 39 -3.018 2.781 -7.783 1.00 30.15 C ATOM 581 C TYR A 39 -4.133 3.661 -7.203 1.00 65.24 C ATOM 582 O TYR A 39 -4.670 4.534 -7.887 1.00 23.15 O ATOM 583 CB TYR A 39 -1.939 3.658 -8.432 1.00 42.43 C ATOM 584 CG TYR A 39 -0.745 2.872 -8.950 1.00 12.04 C ATOM 585 CD1 TYR A 39 -0.786 2.241 -10.190 1.00 70.12 C ATOM 586 CD2 TYR A 39 0.421 2.762 -8.198 1.00 15.51 C ATOM 587 CE1 TYR A 39 0.297 1.523 -10.662 1.00 12.20 C ATOM 588 CE2 TYR A 39 1.507 2.046 -8.666 1.00 65.45 C ATOM 589 CZ TYR A 39 1.439 1.430 -9.898 1.00 33.13 C ATOM 590 OH TYR A 39 2.520 0.717 -10.366 1.00 62.10 O ATOM 0 H TYR A 39 -3.418 2.105 -9.733 1.00 34.44 H new ATOM 0 HA TYR A 39 -2.570 2.212 -6.968 1.00 30.15 H new ATOM 0 HB2 TYR A 39 -2.383 4.214 -9.258 1.00 42.43 H new ATOM 0 HB3 TYR A 39 -1.592 4.391 -7.704 1.00 42.43 H new ATOM 0 HD1 TYR A 39 -1.679 2.314 -10.793 1.00 70.12 H new ATOM 0 HD2 TYR A 39 0.478 3.244 -7.233 1.00 15.51 H new ATOM 0 HE1 TYR A 39 0.248 1.037 -11.625 1.00 12.20 H new ATOM 0 HE2 TYR A 39 2.404 1.969 -8.070 1.00 65.45 H new ATOM 0 HH TYR A 39 3.250 0.764 -9.714 1.00 62.10 H new ATOM 600 N PHE A 40 -4.488 3.412 -5.948 1.00 21.53 N ATOM 601 CA PHE A 40 -5.542 4.178 -5.271 1.00 44.51 C ATOM 602 C PHE A 40 -4.965 5.444 -4.612 1.00 2.42 C ATOM 603 O PHE A 40 -4.116 5.361 -3.722 1.00 54.31 O ATOM 604 CB PHE A 40 -6.239 3.289 -4.236 1.00 3.11 C ATOM 605 CG PHE A 40 -6.694 1.966 -4.810 1.00 64.33 C ATOM 606 CD1 PHE A 40 -7.688 1.920 -5.779 1.00 23.24 C ATOM 607 CD2 PHE A 40 -6.122 0.773 -4.390 1.00 4.22 C ATOM 608 CE1 PHE A 40 -8.102 0.713 -6.314 1.00 44.31 C ATOM 609 CE2 PHE A 40 -6.533 -0.436 -4.922 1.00 60.23 C ATOM 610 CZ PHE A 40 -7.524 -0.466 -5.884 1.00 43.44 C ATOM 0 H PHE A 40 -4.063 2.685 -5.372 1.00 21.53 H new ATOM 0 HA PHE A 40 -6.276 4.500 -6.010 1.00 44.51 H new ATOM 0 HB2 PHE A 40 -5.558 3.104 -3.405 1.00 3.11 H new ATOM 0 HB3 PHE A 40 -7.101 3.819 -3.830 1.00 3.11 H new ATOM 0 HD1 PHE A 40 -8.144 2.838 -6.119 1.00 23.24 H new ATOM 0 HD2 PHE A 40 -5.346 0.789 -3.639 1.00 4.22 H new ATOM 0 HE1 PHE A 40 -8.876 0.692 -7.067 1.00 44.31 H new ATOM 0 HE2 PHE A 40 -6.079 -1.356 -4.585 1.00 60.23 H new ATOM 0 HZ PHE A 40 -7.846 -1.409 -6.299 1.00 43.44 H new ATOM 620 N PHE A 41 -5.437 6.614 -5.049 1.00 74.32 N ATOM 621 CA PHE A 41 -4.835 7.894 -4.644 1.00 34.10 C ATOM 622 C PHE A 41 -5.477 8.494 -3.378 1.00 53.23 C ATOM 623 O PHE A 41 -6.571 9.055 -3.418 1.00 12.33 O ATOM 624 CB PHE A 41 -4.915 8.909 -5.794 1.00 10.31 C ATOM 625 CG PHE A 41 -4.071 8.541 -6.988 1.00 1.04 C ATOM 626 CD1 PHE A 41 -2.731 8.898 -7.045 1.00 41.22 C ATOM 627 CD2 PHE A 41 -4.615 7.836 -8.053 1.00 33.02 C ATOM 628 CE1 PHE A 41 -1.952 8.560 -8.137 1.00 63.45 C ATOM 629 CE2 PHE A 41 -3.841 7.496 -9.148 1.00 31.11 C ATOM 630 CZ PHE A 41 -2.508 7.859 -9.191 1.00 1.14 C ATOM 0 H PHE A 41 -6.232 6.705 -5.682 1.00 74.32 H new ATOM 0 HA PHE A 41 -3.794 7.680 -4.404 1.00 34.10 H new ATOM 0 HB2 PHE A 41 -5.954 9.005 -6.110 1.00 10.31 H new ATOM 0 HB3 PHE A 41 -4.602 9.886 -5.427 1.00 10.31 H new ATOM 0 HD1 PHE A 41 -2.291 9.447 -6.226 1.00 41.22 H new ATOM 0 HD2 PHE A 41 -5.656 7.549 -8.026 1.00 33.02 H new ATOM 0 HE1 PHE A 41 -0.910 8.843 -8.166 1.00 63.45 H new ATOM 0 HE2 PHE A 41 -4.278 6.947 -9.969 1.00 31.11 H new ATOM 0 HZ PHE A 41 -1.902 7.596 -10.046 1.00 1.14 H new ATOM 640 N TRP A 42 -4.763 8.383 -2.265 1.00 55.11 N ATOM 641 CA TRP A 42 -5.129 9.046 -1.007 1.00 2.22 C ATOM 642 C TRP A 42 -4.546 10.478 -0.969 1.00 73.00 C ATOM 643 O TRP A 42 -3.438 10.706 -1.452 1.00 43.31 O ATOM 644 CB TRP A 42 -4.604 8.194 0.167 1.00 3.13 C ATOM 645 CG TRP A 42 -4.473 8.904 1.489 1.00 42.32 C ATOM 646 CD1 TRP A 42 -3.408 9.647 1.913 1.00 21.11 C ATOM 647 CD2 TRP A 42 -5.416 8.915 2.570 1.00 50.10 C ATOM 648 NE1 TRP A 42 -3.621 10.106 3.180 1.00 32.42 N ATOM 649 CE2 TRP A 42 -4.848 9.681 3.606 1.00 44.12 C ATOM 650 CE3 TRP A 42 -6.684 8.356 2.763 1.00 32.21 C ATOM 651 CZ2 TRP A 42 -5.497 9.900 4.815 1.00 23.42 C ATOM 652 CZ3 TRP A 42 -7.330 8.577 3.965 1.00 42.22 C ATOM 653 CH2 TRP A 42 -6.737 9.344 4.977 1.00 3.44 C ATOM 0 H TRP A 42 -3.909 7.829 -2.203 1.00 55.11 H new ATOM 0 HA TRP A 42 -6.213 9.133 -0.927 1.00 2.22 H new ATOM 0 HB2 TRP A 42 -5.271 7.342 0.299 1.00 3.13 H new ATOM 0 HB3 TRP A 42 -3.627 7.795 -0.107 1.00 3.13 H new ATOM 0 HD1 TRP A 42 -2.522 9.843 1.328 1.00 21.11 H new ATOM 0 HE1 TRP A 42 -2.970 10.674 3.722 1.00 32.42 H new ATOM 0 HE3 TRP A 42 -7.149 7.764 1.989 1.00 32.21 H new ATOM 0 HZ2 TRP A 42 -5.040 10.487 5.598 1.00 23.42 H new ATOM 0 HZ3 TRP A 42 -8.309 8.151 4.127 1.00 42.22 H new ATOM 0 HH2 TRP A 42 -7.269 9.499 5.904 1.00 3.44 H new ATOM 664 N PRO A 43 -5.281 11.478 -0.424 1.00 30.12 N ATOM 665 CA PRO A 43 -6.638 11.318 0.113 1.00 2.14 C ATOM 666 C PRO A 43 -7.747 11.659 -0.903 1.00 1.42 C ATOM 667 O PRO A 43 -8.885 11.941 -0.521 1.00 74.01 O ATOM 668 CB PRO A 43 -6.627 12.329 1.263 1.00 71.04 C ATOM 669 CG PRO A 43 -5.766 13.454 0.769 1.00 1.21 C ATOM 670 CD PRO A 43 -4.811 12.868 -0.255 1.00 52.34 C ATOM 0 HA PRO A 43 -6.859 10.289 0.397 1.00 2.14 H new ATOM 0 HB2 PRO A 43 -7.634 12.674 1.497 1.00 71.04 H new ATOM 0 HB3 PRO A 43 -6.221 11.889 2.174 1.00 71.04 H new ATOM 0 HG2 PRO A 43 -6.376 14.239 0.322 1.00 1.21 H new ATOM 0 HG3 PRO A 43 -5.216 13.909 1.593 1.00 1.21 H new ATOM 0 HD2 PRO A 43 -4.846 13.419 -1.195 1.00 52.34 H new ATOM 0 HD3 PRO A 43 -3.779 12.901 0.096 1.00 52.34 H new ATOM 678 N ARG A 44 -7.413 11.617 -2.193 1.00 65.22 N ATOM 679 CA ARG A 44 -8.379 11.911 -3.263 1.00 34.41 C ATOM 680 C ARG A 44 -9.511 10.869 -3.310 1.00 14.53 C ATOM 681 O ARG A 44 -10.632 11.171 -3.722 1.00 40.13 O ATOM 682 CB ARG A 44 -7.661 11.963 -4.620 1.00 63.30 C ATOM 683 CG ARG A 44 -6.670 13.117 -4.755 1.00 33.04 C ATOM 684 CD ARG A 44 -7.370 14.474 -4.723 1.00 75.52 C ATOM 685 NE ARG A 44 -6.429 15.581 -4.852 1.00 43.15 N ATOM 686 CZ ARG A 44 -6.732 16.758 -5.322 1.00 43.55 C ATOM 687 NH1 ARG A 44 -7.928 17.014 -5.752 1.00 21.12 N ATOM 688 NH2 ARG A 44 -5.825 17.675 -5.371 1.00 52.32 N ATOM 0 H ARG A 44 -6.479 11.382 -2.528 1.00 65.22 H new ATOM 0 HA ARG A 44 -8.826 12.881 -3.048 1.00 34.41 H new ATOM 0 HB2 ARG A 44 -7.132 11.023 -4.775 1.00 63.30 H new ATOM 0 HB3 ARG A 44 -8.407 12.044 -5.411 1.00 63.30 H new ATOM 0 HG2 ARG A 44 -5.940 13.066 -3.947 1.00 33.04 H new ATOM 0 HG3 ARG A 44 -6.118 13.015 -5.690 1.00 33.04 H new ATOM 0 HD2 ARG A 44 -8.100 14.524 -5.531 1.00 75.52 H new ATOM 0 HD3 ARG A 44 -7.921 14.575 -3.788 1.00 75.52 H new ATOM 0 HE ARG A 44 -5.467 15.423 -4.553 1.00 43.15 H new ATOM 0 HH11 ARG A 44 -8.646 16.290 -5.725 1.00 21.12 H new ATOM 0 HH12 ARG A 44 -8.151 17.940 -6.117 1.00 21.12 H new ATOM 0 HH21 ARG A 44 -4.880 17.476 -5.043 1.00 52.32 H new ATOM 0 HH22 ARG A 44 -6.053 18.599 -5.737 1.00 52.32 H new ATOM 702 N ALA A 45 -9.198 9.645 -2.897 1.00 4.12 N ATOM 703 CA ALA A 45 -10.182 8.561 -2.836 1.00 35.45 C ATOM 704 C ALA A 45 -9.882 7.613 -1.671 1.00 31.33 C ATOM 705 O ALA A 45 -8.809 7.676 -1.064 1.00 14.02 O ATOM 706 CB ALA A 45 -10.205 7.788 -4.152 1.00 52.40 C ATOM 0 H ALA A 45 -8.262 9.374 -2.596 1.00 4.12 H new ATOM 0 HA ALA A 45 -11.164 9.005 -2.671 1.00 35.45 H new ATOM 0 HB1 ALA A 45 -10.941 6.986 -4.090 1.00 52.40 H new ATOM 0 HB2 ALA A 45 -10.471 8.463 -4.966 1.00 52.40 H new ATOM 0 HB3 ALA A 45 -9.220 7.362 -4.341 1.00 52.40 H new ATOM 712 N ASP A 46 -10.837 6.745 -1.354 1.00 31.25 N ATOM 713 CA ASP A 46 -10.667 5.759 -0.285 1.00 14.14 C ATOM 714 C ASP A 46 -9.597 4.715 -0.662 1.00 61.21 C ATOM 715 O ASP A 46 -9.916 3.627 -1.145 1.00 71.21 O ATOM 716 CB ASP A 46 -12.009 5.079 0.000 1.00 12.52 C ATOM 717 CG ASP A 46 -13.108 6.085 0.289 1.00 5.12 C ATOM 718 OD1 ASP A 46 -13.661 6.660 -0.673 1.00 63.11 O ATOM 719 OD2 ASP A 46 -13.409 6.320 1.479 1.00 62.11 O ATOM 0 H ASP A 46 -11.742 6.702 -1.823 1.00 31.25 H new ATOM 0 HA ASP A 46 -10.326 6.270 0.615 1.00 14.14 H new ATOM 0 HB2 ASP A 46 -12.294 4.467 -0.856 1.00 12.52 H new ATOM 0 HB3 ASP A 46 -11.901 4.406 0.851 1.00 12.52 H new ATOM 724 N ALA A 47 -8.328 5.064 -0.455 1.00 5.44 N ATOM 725 CA ALA A 47 -7.201 4.221 -0.872 1.00 50.32 C ATOM 726 C ALA A 47 -7.252 2.815 -0.258 1.00 33.53 C ATOM 727 O ALA A 47 -7.439 1.824 -0.968 1.00 12.23 O ATOM 728 CB ALA A 47 -5.882 4.901 -0.526 1.00 33.52 C ATOM 0 H ALA A 47 -8.050 5.932 0.003 1.00 5.44 H new ATOM 0 HA ALA A 47 -7.278 4.097 -1.952 1.00 50.32 H new ATOM 0 HB1 ALA A 47 -5.053 4.267 -0.840 1.00 33.52 H new ATOM 0 HB2 ALA A 47 -5.821 5.860 -1.041 1.00 33.52 H new ATOM 0 HB3 ALA A 47 -5.828 5.063 0.550 1.00 33.52 H new ATOM 734 N TRP A 48 -7.093 2.734 1.061 1.00 21.35 N ATOM 735 CA TRP A 48 -7.041 1.442 1.754 1.00 43.04 C ATOM 736 C TRP A 48 -8.369 0.676 1.620 1.00 43.25 C ATOM 737 O TRP A 48 -8.378 -0.547 1.468 1.00 54.41 O ATOM 738 CB TRP A 48 -6.688 1.647 3.233 1.00 62.33 C ATOM 739 CG TRP A 48 -6.459 0.363 3.979 1.00 75.03 C ATOM 740 CD1 TRP A 48 -5.370 -0.457 3.882 1.00 31.44 C ATOM 741 CD2 TRP A 48 -7.334 -0.242 4.936 1.00 33.33 C ATOM 742 NE1 TRP A 48 -5.520 -1.536 4.716 1.00 33.23 N ATOM 743 CE2 TRP A 48 -6.716 -1.427 5.374 1.00 23.33 C ATOM 744 CE3 TRP A 48 -8.583 0.103 5.462 1.00 23.22 C ATOM 745 CZ2 TRP A 48 -7.302 -2.266 6.314 1.00 31.22 C ATOM 746 CZ3 TRP A 48 -9.163 -0.731 6.398 1.00 54.23 C ATOM 747 CH2 TRP A 48 -8.523 -1.905 6.815 1.00 45.24 C ATOM 0 H TRP A 48 -6.998 3.544 1.673 1.00 21.35 H new ATOM 0 HA TRP A 48 -6.263 0.841 1.283 1.00 43.04 H new ATOM 0 HB2 TRP A 48 -5.791 2.263 3.302 1.00 62.33 H new ATOM 0 HB3 TRP A 48 -7.493 2.200 3.717 1.00 62.33 H new ATOM 0 HD1 TRP A 48 -4.517 -0.282 3.243 1.00 31.44 H new ATOM 0 HE1 TRP A 48 -4.849 -2.296 4.828 1.00 33.23 H new ATOM 0 HE3 TRP A 48 -9.085 1.004 5.142 1.00 23.22 H new ATOM 0 HZ2 TRP A 48 -6.811 -3.172 6.638 1.00 31.22 H new ATOM 0 HZ3 TRP A 48 -10.125 -0.474 6.815 1.00 54.23 H new ATOM 0 HH2 TRP A 48 -9.003 -2.538 7.547 1.00 45.24 H new ATOM 758 N GLN A 49 -9.487 1.401 1.666 1.00 54.14 N ATOM 759 CA GLN A 49 -10.814 0.791 1.500 1.00 72.22 C ATOM 760 C GLN A 49 -10.961 0.140 0.113 1.00 51.15 C ATOM 761 O GLN A 49 -11.458 -0.978 -0.002 1.00 44.14 O ATOM 762 CB GLN A 49 -11.915 1.839 1.715 1.00 62.22 C ATOM 763 CG GLN A 49 -13.338 1.318 1.494 1.00 32.55 C ATOM 764 CD GLN A 49 -13.728 0.175 2.424 1.00 1.45 C ATOM 765 OE1 GLN A 49 -13.195 0.163 3.630 1.00 53.32 O flip ATOM 766 NE2 GLN A 49 -14.521 -0.691 2.064 1.00 73.43 N flip ATOM 0 H GLN A 49 -9.504 2.410 1.816 1.00 54.14 H new ATOM 0 HA GLN A 49 -10.918 0.009 2.252 1.00 72.22 H new ATOM 0 HB2 GLN A 49 -11.837 2.227 2.731 1.00 62.22 H new ATOM 0 HB3 GLN A 49 -11.739 2.676 1.040 1.00 62.22 H new ATOM 0 HG2 GLN A 49 -14.041 2.140 1.630 1.00 32.55 H new ATOM 0 HG3 GLN A 49 -13.436 0.983 0.461 1.00 32.55 H new ATOM 0 HE21 GLN A 49 -14.919 -0.659 1.126 1.00 73.43 H new ATOM 0 HE22 GLN A 49 -14.781 -1.442 2.703 1.00 73.43 H new ATOM 775 N GLN A 50 -10.525 0.840 -0.936 1.00 3.24 N ATOM 776 CA GLN A 50 -10.568 0.290 -2.299 1.00 14.11 C ATOM 777 C GLN A 50 -9.591 -0.888 -2.458 1.00 32.53 C ATOM 778 O GLN A 50 -9.871 -1.837 -3.193 1.00 64.31 O ATOM 779 CB GLN A 50 -10.268 1.383 -3.341 1.00 11.23 C ATOM 780 CG GLN A 50 -11.394 2.405 -3.508 1.00 25.14 C ATOM 781 CD GLN A 50 -11.062 3.518 -4.498 1.00 3.42 C ATOM 782 OE1 GLN A 50 -9.803 3.911 -4.559 1.00 64.45 O flip ATOM 783 NE2 GLN A 50 -11.937 4.037 -5.187 1.00 42.24 N flip ATOM 0 H GLN A 50 -10.140 1.782 -0.873 1.00 3.24 H new ATOM 0 HA GLN A 50 -11.577 -0.084 -2.471 1.00 14.11 H new ATOM 0 HB2 GLN A 50 -9.356 1.906 -3.053 1.00 11.23 H new ATOM 0 HB3 GLN A 50 -10.074 0.910 -4.304 1.00 11.23 H new ATOM 0 HG2 GLN A 50 -12.295 1.890 -3.841 1.00 25.14 H new ATOM 0 HG3 GLN A 50 -11.620 2.848 -2.538 1.00 25.14 H new ATOM 0 HE21 GLN A 50 -12.901 3.711 -5.117 1.00 42.24 H new ATOM 0 HE22 GLN A 50 -11.699 4.794 -5.829 1.00 42.24 H new ATOM 792 N LEU A 51 -8.452 -0.831 -1.762 1.00 51.03 N ATOM 793 CA LEU A 51 -7.477 -1.930 -1.794 1.00 54.51 C ATOM 794 C LEU A 51 -8.055 -3.208 -1.160 1.00 13.22 C ATOM 795 O LEU A 51 -8.039 -4.279 -1.773 1.00 41.44 O ATOM 796 CB LEU A 51 -6.179 -1.529 -1.072 1.00 4.15 C ATOM 797 CG LEU A 51 -5.060 -2.586 -1.108 1.00 4.01 C ATOM 798 CD1 LEU A 51 -4.614 -2.855 -2.544 1.00 75.40 C ATOM 799 CD2 LEU A 51 -3.875 -2.157 -0.244 1.00 4.45 C ATOM 0 H LEU A 51 -8.182 -0.043 -1.173 1.00 51.03 H new ATOM 0 HA LEU A 51 -7.251 -2.137 -2.840 1.00 54.51 H new ATOM 0 HB2 LEU A 51 -5.803 -0.608 -1.518 1.00 4.15 H new ATOM 0 HB3 LEU A 51 -6.414 -1.306 -0.031 1.00 4.15 H new ATOM 0 HG LEU A 51 -5.459 -3.513 -0.696 1.00 4.01 H new ATOM 0 HD11 LEU A 51 -3.823 -3.605 -2.545 1.00 75.40 H new ATOM 0 HD12 LEU A 51 -5.461 -3.220 -3.126 1.00 75.40 H new ATOM 0 HD13 LEU A 51 -4.240 -1.932 -2.988 1.00 75.40 H new ATOM 0 HD21 LEU A 51 -3.098 -2.921 -0.286 1.00 4.45 H new ATOM 0 HD22 LEU A 51 -3.476 -1.213 -0.616 1.00 4.45 H new ATOM 0 HD23 LEU A 51 -4.204 -2.031 0.788 1.00 4.45 H new ATOM 811 N LYS A 52 -8.565 -3.092 0.070 1.00 40.22 N ATOM 812 CA LYS A 52 -9.180 -4.236 0.757 1.00 13.12 C ATOM 813 C LYS A 52 -10.415 -4.734 -0.009 1.00 64.33 C ATOM 814 O LYS A 52 -10.676 -5.934 -0.068 1.00 43.41 O ATOM 815 CB LYS A 52 -9.553 -3.871 2.206 1.00 53.12 C ATOM 816 CG LYS A 52 -10.672 -2.837 2.326 1.00 3.43 C ATOM 817 CD LYS A 52 -10.925 -2.423 3.776 1.00 43.42 C ATOM 818 CE LYS A 52 -11.363 -3.595 4.649 1.00 2.42 C ATOM 819 NZ LYS A 52 -12.652 -4.180 4.195 1.00 60.24 N ATOM 0 H LYS A 52 -8.565 -2.226 0.608 1.00 40.22 H new ATOM 0 HA LYS A 52 -8.448 -5.043 0.787 1.00 13.12 H new ATOM 0 HB2 LYS A 52 -9.854 -4.778 2.731 1.00 53.12 H new ATOM 0 HB3 LYS A 52 -8.666 -3.490 2.712 1.00 53.12 H new ATOM 0 HG2 LYS A 52 -10.414 -1.956 1.738 1.00 3.43 H new ATOM 0 HG3 LYS A 52 -11.589 -3.246 1.902 1.00 3.43 H new ATOM 0 HD2 LYS A 52 -10.016 -1.985 4.190 1.00 43.42 H new ATOM 0 HD3 LYS A 52 -11.692 -1.649 3.801 1.00 43.42 H new ATOM 0 HE2 LYS A 52 -10.591 -4.365 4.635 1.00 2.42 H new ATOM 0 HE3 LYS A 52 -11.461 -3.260 5.682 1.00 2.42 H new ATOM 0 HZ1 LYS A 52 -13.137 -4.621 5.003 1.00 60.24 H new ATOM 0 HZ2 LYS A 52 -13.253 -3.430 3.798 1.00 60.24 H new ATOM 0 HZ3 LYS A 52 -12.469 -4.899 3.466 1.00 60.24 H new ATOM 833 N ASP A 53 -11.154 -3.802 -0.609 1.00 42.24 N ATOM 834 CA ASP A 53 -12.316 -4.138 -1.436 1.00 65.04 C ATOM 835 C ASP A 53 -11.914 -5.077 -2.592 1.00 51.41 C ATOM 836 O ASP A 53 -12.593 -6.066 -2.871 1.00 60.23 O ATOM 837 CB ASP A 53 -12.942 -2.846 -1.981 1.00 62.40 C ATOM 838 CG ASP A 53 -14.264 -3.076 -2.691 1.00 42.25 C ATOM 839 OD1 ASP A 53 -15.318 -3.059 -2.016 1.00 15.42 O ATOM 840 OD2 ASP A 53 -14.261 -3.266 -3.923 1.00 4.13 O ATOM 0 H ASP A 53 -10.968 -2.802 -0.538 1.00 42.24 H new ATOM 0 HA ASP A 53 -13.049 -4.662 -0.823 1.00 65.04 H new ATOM 0 HB2 ASP A 53 -13.096 -2.149 -1.157 1.00 62.40 H new ATOM 0 HB3 ASP A 53 -12.243 -2.374 -2.672 1.00 62.40 H new ATOM 845 N GLU A 54 -10.796 -4.759 -3.247 1.00 64.41 N ATOM 846 CA GLU A 54 -10.240 -5.608 -4.310 1.00 73.55 C ATOM 847 C GLU A 54 -9.780 -6.972 -3.765 1.00 44.34 C ATOM 848 O GLU A 54 -10.169 -8.022 -4.272 1.00 34.55 O ATOM 849 CB GLU A 54 -9.047 -4.905 -4.980 1.00 43.10 C ATOM 850 CG GLU A 54 -9.417 -3.670 -5.795 1.00 42.54 C ATOM 851 CD GLU A 54 -10.165 -4.007 -7.077 1.00 21.20 C ATOM 852 OE1 GLU A 54 -9.505 -4.256 -8.109 1.00 25.23 O ATOM 853 OE2 GLU A 54 -11.413 -4.025 -7.060 1.00 54.31 O ATOM 0 H GLU A 54 -10.253 -3.916 -3.061 1.00 64.41 H new ATOM 0 HA GLU A 54 -11.032 -5.777 -5.040 1.00 73.55 H new ATOM 0 HB2 GLU A 54 -8.333 -4.616 -4.209 1.00 43.10 H new ATOM 0 HB3 GLU A 54 -8.541 -5.617 -5.632 1.00 43.10 H new ATOM 0 HG2 GLU A 54 -10.033 -3.009 -5.184 1.00 42.54 H new ATOM 0 HG3 GLU A 54 -8.509 -3.120 -6.044 1.00 42.54 H new ATOM 860 N LEU A 55 -8.946 -6.941 -2.725 1.00 0.21 N ATOM 861 CA LEU A 55 -8.358 -8.163 -2.150 1.00 11.21 C ATOM 862 C LEU A 55 -9.425 -9.120 -1.589 1.00 62.42 C ATOM 863 O LEU A 55 -9.273 -10.341 -1.655 1.00 44.13 O ATOM 864 CB LEU A 55 -7.351 -7.794 -1.054 1.00 13.14 C ATOM 865 CG LEU A 55 -6.149 -6.956 -1.526 1.00 51.31 C ATOM 866 CD1 LEU A 55 -5.265 -6.571 -0.346 1.00 31.10 C ATOM 867 CD2 LEU A 55 -5.341 -7.709 -2.584 1.00 51.11 C ATOM 0 H LEU A 55 -8.658 -6.081 -2.258 1.00 0.21 H new ATOM 0 HA LEU A 55 -7.847 -8.688 -2.957 1.00 11.21 H new ATOM 0 HB2 LEU A 55 -7.874 -7.243 -0.273 1.00 13.14 H new ATOM 0 HB3 LEU A 55 -6.978 -8.713 -0.601 1.00 13.14 H new ATOM 0 HG LEU A 55 -6.531 -6.042 -1.980 1.00 51.31 H new ATOM 0 HD11 LEU A 55 -4.421 -5.979 -0.701 1.00 31.10 H new ATOM 0 HD12 LEU A 55 -5.845 -5.985 0.367 1.00 31.10 H new ATOM 0 HD13 LEU A 55 -4.896 -7.473 0.142 1.00 31.10 H new ATOM 0 HD21 LEU A 55 -4.497 -7.096 -2.902 1.00 51.11 H new ATOM 0 HD22 LEU A 55 -4.972 -8.644 -2.163 1.00 51.11 H new ATOM 0 HD23 LEU A 55 -5.977 -7.924 -3.443 1.00 51.11 H new ATOM 879 N GLU A 56 -10.485 -8.564 -1.013 1.00 73.24 N ATOM 880 CA GLU A 56 -11.613 -9.363 -0.518 1.00 11.40 C ATOM 881 C GLU A 56 -12.523 -9.825 -1.667 1.00 41.31 C ATOM 882 O GLU A 56 -13.190 -10.857 -1.567 1.00 30.01 O ATOM 883 CB GLU A 56 -12.409 -8.564 0.520 1.00 14.31 C ATOM 884 CG GLU A 56 -11.634 -8.337 1.816 1.00 10.44 C ATOM 885 CD GLU A 56 -12.359 -7.440 2.805 1.00 73.31 C ATOM 886 OE1 GLU A 56 -13.471 -7.800 3.247 1.00 63.13 O ATOM 887 OE2 GLU A 56 -11.809 -6.382 3.165 1.00 72.35 O ATOM 0 H GLU A 56 -10.592 -7.559 -0.874 1.00 73.24 H new ATOM 0 HA GLU A 56 -11.212 -10.257 -0.041 1.00 11.40 H new ATOM 0 HB2 GLU A 56 -12.686 -7.600 0.094 1.00 14.31 H new ATOM 0 HB3 GLU A 56 -13.336 -9.092 0.744 1.00 14.31 H new ATOM 0 HG2 GLU A 56 -11.438 -9.300 2.287 1.00 10.44 H new ATOM 0 HG3 GLU A 56 -10.666 -7.896 1.579 1.00 10.44 H new ATOM 894 N ALA A 57 -12.561 -9.050 -2.751 1.00 53.00 N ATOM 895 CA ALA A 57 -13.284 -9.457 -3.964 1.00 24.04 C ATOM 896 C ALA A 57 -12.578 -10.637 -4.646 1.00 3.21 C ATOM 897 O ALA A 57 -13.219 -11.545 -5.180 1.00 62.25 O ATOM 898 CB ALA A 57 -13.411 -8.285 -4.933 1.00 25.55 C ATOM 0 H ALA A 57 -12.103 -8.141 -2.818 1.00 53.00 H new ATOM 0 HA ALA A 57 -14.285 -9.775 -3.671 1.00 24.04 H new ATOM 0 HB1 ALA A 57 -13.949 -8.607 -5.825 1.00 25.55 H new ATOM 0 HB2 ALA A 57 -13.957 -7.473 -4.453 1.00 25.55 H new ATOM 0 HB3 ALA A 57 -12.417 -7.937 -5.215 1.00 25.55 H new ATOM 904 N LYS A 58 -11.246 -10.618 -4.619 1.00 74.10 N ATOM 905 CA LYS A 58 -10.439 -11.699 -5.184 1.00 72.24 C ATOM 906 C LYS A 58 -10.226 -12.799 -4.130 1.00 5.43 C ATOM 907 O LYS A 58 -9.339 -12.703 -3.279 1.00 45.04 O ATOM 908 CB LYS A 58 -9.092 -11.139 -5.667 1.00 23.35 C ATOM 909 CG LYS A 58 -9.224 -9.906 -6.555 1.00 75.24 C ATOM 910 CD LYS A 58 -7.866 -9.284 -6.879 1.00 22.02 C ATOM 911 CE LYS A 58 -8.018 -7.953 -7.617 1.00 60.13 C ATOM 912 NZ LYS A 58 -8.958 -8.046 -8.768 1.00 41.32 N ATOM 0 H LYS A 58 -10.700 -9.860 -4.209 1.00 74.10 H new ATOM 0 HA LYS A 58 -10.960 -12.136 -6.036 1.00 72.24 H new ATOM 0 HB2 LYS A 58 -8.481 -10.888 -4.800 1.00 23.35 H new ATOM 0 HB3 LYS A 58 -8.561 -11.917 -6.216 1.00 23.35 H new ATOM 0 HG2 LYS A 58 -9.728 -10.180 -7.482 1.00 75.24 H new ATOM 0 HG3 LYS A 58 -9.852 -9.167 -6.057 1.00 75.24 H new ATOM 0 HD2 LYS A 58 -7.307 -9.127 -5.956 1.00 22.02 H new ATOM 0 HD3 LYS A 58 -7.285 -9.975 -7.490 1.00 22.02 H new ATOM 0 HE2 LYS A 58 -8.374 -7.193 -6.921 1.00 60.13 H new ATOM 0 HE3 LYS A 58 -7.042 -7.625 -7.974 1.00 60.13 H new ATOM 0 HZ1 LYS A 58 -8.875 -7.191 -9.354 1.00 41.32 H new ATOM 0 HZ2 LYS A 58 -8.724 -8.882 -9.341 1.00 41.32 H new ATOM 0 HZ3 LYS A 58 -9.932 -8.131 -8.414 1.00 41.32 H new ATOM 926 N HIS A 59 -11.049 -13.841 -4.183 1.00 72.23 N ATOM 927 CA HIS A 59 -11.072 -14.861 -3.130 1.00 71.14 C ATOM 928 C HIS A 59 -9.905 -15.858 -3.222 1.00 14.02 C ATOM 929 O HIS A 59 -9.639 -16.583 -2.261 1.00 45.33 O ATOM 930 CB HIS A 59 -12.415 -15.600 -3.144 1.00 50.32 C ATOM 931 CG HIS A 59 -13.565 -14.740 -2.711 1.00 3.41 C ATOM 932 ND1 HIS A 59 -14.477 -14.199 -3.589 1.00 72.54 N ATOM 933 CD2 HIS A 59 -13.949 -14.327 -1.478 1.00 21.45 C ATOM 934 CE1 HIS A 59 -15.364 -13.491 -2.922 1.00 73.31 C ATOM 935 NE2 HIS A 59 -15.070 -13.552 -1.639 1.00 45.41 N ATOM 0 H HIS A 59 -11.710 -14.005 -4.942 1.00 72.23 H new ATOM 0 HA HIS A 59 -10.950 -14.337 -2.182 1.00 71.14 H new ATOM 0 HB2 HIS A 59 -12.607 -15.973 -4.150 1.00 50.32 H new ATOM 0 HB3 HIS A 59 -12.352 -16.469 -2.488 1.00 50.32 H new ATOM 0 HD2 HIS A 59 -13.463 -14.564 -0.543 1.00 21.45 H new ATOM 0 HE1 HIS A 59 -16.193 -12.951 -3.354 1.00 73.31 H new ATOM 0 HE2 HIS A 59 -15.590 -13.098 -0.889 1.00 45.41 H new ATOM 944 N TRP A 60 -9.201 -15.900 -4.356 1.00 2.13 N ATOM 945 CA TRP A 60 -8.022 -16.768 -4.470 1.00 52.13 C ATOM 946 C TRP A 60 -6.873 -16.257 -3.579 1.00 4.32 C ATOM 947 O TRP A 60 -5.890 -16.964 -3.342 1.00 40.14 O ATOM 948 CB TRP A 60 -7.575 -16.930 -5.936 1.00 51.21 C ATOM 949 CG TRP A 60 -7.020 -15.695 -6.589 1.00 52.14 C ATOM 950 CD1 TRP A 60 -7.719 -14.728 -7.255 1.00 5.20 C ATOM 951 CD2 TRP A 60 -5.636 -15.321 -6.675 1.00 62.43 C ATOM 952 NE1 TRP A 60 -6.856 -13.773 -7.739 1.00 2.22 N ATOM 953 CE2 TRP A 60 -5.573 -14.114 -7.392 1.00 30.14 C ATOM 954 CE3 TRP A 60 -4.446 -15.888 -6.206 1.00 74.44 C ATOM 955 CZ2 TRP A 60 -4.371 -13.464 -7.654 1.00 75.44 C ATOM 956 CZ3 TRP A 60 -3.253 -15.242 -6.467 1.00 31.23 C ATOM 957 CH2 TRP A 60 -3.224 -14.040 -7.184 1.00 50.44 C ATOM 0 H TRP A 60 -9.418 -15.357 -5.192 1.00 2.13 H new ATOM 0 HA TRP A 60 -8.304 -17.758 -4.112 1.00 52.13 H new ATOM 0 HB2 TRP A 60 -6.819 -17.714 -5.981 1.00 51.21 H new ATOM 0 HB3 TRP A 60 -8.428 -17.276 -6.520 1.00 51.21 H new ATOM 0 HD1 TRP A 60 -8.791 -14.716 -7.382 1.00 5.20 H new ATOM 0 HE1 TRP A 60 -7.126 -12.945 -8.270 1.00 2.22 H new ATOM 0 HE3 TRP A 60 -4.460 -16.814 -5.650 1.00 74.44 H new ATOM 0 HZ2 TRP A 60 -4.345 -12.538 -8.209 1.00 75.44 H new ATOM 0 HZ3 TRP A 60 -2.328 -15.671 -6.112 1.00 31.23 H new ATOM 0 HH2 TRP A 60 -2.276 -13.558 -7.370 1.00 50.44 H new ATOM 968 N ILE A 61 -7.016 -15.028 -3.076 1.00 10.34 N ATOM 969 CA ILE A 61 -6.113 -14.489 -2.054 1.00 12.10 C ATOM 970 C ILE A 61 -6.480 -15.071 -0.676 1.00 74.23 C ATOM 971 O ILE A 61 -7.650 -15.065 -0.285 1.00 33.14 O ATOM 972 CB ILE A 61 -6.183 -12.930 -1.968 1.00 73.04 C ATOM 973 CG1 ILE A 61 -5.614 -12.244 -3.229 1.00 51.30 C ATOM 974 CG2 ILE A 61 -5.441 -12.427 -0.730 1.00 44.53 C ATOM 975 CD1 ILE A 61 -6.304 -12.618 -4.515 1.00 22.12 C ATOM 0 H ILE A 61 -7.753 -14.384 -3.362 1.00 10.34 H new ATOM 0 HA ILE A 61 -5.100 -14.773 -2.339 1.00 12.10 H new ATOM 0 HB ILE A 61 -7.238 -12.667 -1.896 1.00 73.04 H new ATOM 0 HG12 ILE A 61 -5.679 -11.164 -3.099 1.00 51.30 H new ATOM 0 HG13 ILE A 61 -4.556 -12.492 -3.315 1.00 51.30 H new ATOM 0 HG21 ILE A 61 -5.501 -11.339 -0.687 1.00 44.53 H new ATOM 0 HG22 ILE A 61 -5.897 -12.851 0.165 1.00 44.53 H new ATOM 0 HG23 ILE A 61 -4.396 -12.731 -0.784 1.00 44.53 H new ATOM 0 HD11 ILE A 61 -5.837 -12.088 -5.346 1.00 22.12 H new ATOM 0 HD12 ILE A 61 -6.217 -13.693 -4.675 1.00 22.12 H new ATOM 0 HD13 ILE A 61 -7.357 -12.344 -4.456 1.00 22.12 H new ATOM 987 N ALA A 62 -5.492 -15.574 0.058 1.00 21.33 N ATOM 988 CA ALA A 62 -5.739 -16.113 1.399 1.00 42.21 C ATOM 989 C ALA A 62 -5.803 -14.992 2.449 1.00 45.54 C ATOM 990 O ALA A 62 -5.315 -13.880 2.220 1.00 51.53 O ATOM 991 CB ALA A 62 -4.671 -17.134 1.767 1.00 2.11 C ATOM 0 H ALA A 62 -4.520 -15.621 -0.246 1.00 21.33 H new ATOM 0 HA ALA A 62 -6.708 -16.612 1.387 1.00 42.21 H new ATOM 0 HB1 ALA A 62 -4.869 -17.524 2.765 1.00 2.11 H new ATOM 0 HB2 ALA A 62 -4.687 -17.953 1.048 1.00 2.11 H new ATOM 0 HB3 ALA A 62 -3.691 -16.657 1.752 1.00 2.11 H new ATOM 997 N GLU A 63 -6.410 -15.288 3.597 1.00 2.11 N ATOM 998 CA GLU A 63 -6.593 -14.296 4.664 1.00 73.03 C ATOM 999 C GLU A 63 -5.263 -13.637 5.074 1.00 3.21 C ATOM 1000 O GLU A 63 -5.123 -12.417 4.999 1.00 10.35 O ATOM 1001 CB GLU A 63 -7.258 -14.949 5.880 1.00 70.13 C ATOM 1002 CG GLU A 63 -7.581 -13.968 7.003 1.00 11.23 C ATOM 1003 CD GLU A 63 -8.239 -14.643 8.193 1.00 70.30 C ATOM 1004 OE1 GLU A 63 -9.479 -14.800 8.184 1.00 11.30 O ATOM 1005 OE2 GLU A 63 -7.523 -15.029 9.138 1.00 44.25 O ATOM 0 H GLU A 63 -6.786 -16.210 3.816 1.00 2.11 H new ATOM 0 HA GLU A 63 -7.240 -13.510 4.275 1.00 73.03 H new ATOM 0 HB2 GLU A 63 -8.178 -15.438 5.561 1.00 70.13 H new ATOM 0 HB3 GLU A 63 -6.601 -15.728 6.268 1.00 70.13 H new ATOM 0 HG2 GLU A 63 -6.663 -13.479 7.329 1.00 11.23 H new ATOM 0 HG3 GLU A 63 -8.240 -13.188 6.621 1.00 11.23 H new ATOM 1012 N ALA A 64 -4.288 -14.448 5.485 1.00 22.13 N ATOM 1013 CA ALA A 64 -2.986 -13.932 5.932 1.00 70.23 C ATOM 1014 C ALA A 64 -2.306 -13.069 4.854 1.00 13.41 C ATOM 1015 O ALA A 64 -1.687 -12.051 5.163 1.00 25.44 O ATOM 1016 CB ALA A 64 -2.074 -15.084 6.342 1.00 75.00 C ATOM 0 H ALA A 64 -4.371 -15.464 5.519 1.00 22.13 H new ATOM 0 HA ALA A 64 -3.167 -13.292 6.795 1.00 70.23 H new ATOM 0 HB1 ALA A 64 -1.113 -14.688 6.671 1.00 75.00 H new ATOM 0 HB2 ALA A 64 -2.535 -15.641 7.158 1.00 75.00 H new ATOM 0 HB3 ALA A 64 -1.921 -15.747 5.491 1.00 75.00 H new ATOM 1022 N ASP A 65 -2.435 -13.479 3.592 1.00 62.42 N ATOM 1023 CA ASP A 65 -1.837 -12.747 2.471 1.00 70.55 C ATOM 1024 C ASP A 65 -2.424 -11.326 2.331 1.00 44.14 C ATOM 1025 O ASP A 65 -1.682 -10.338 2.274 1.00 4.32 O ATOM 1026 CB ASP A 65 -2.042 -13.538 1.171 1.00 33.33 C ATOM 1027 CG ASP A 65 -1.362 -14.899 1.208 1.00 3.04 C ATOM 1028 OD1 ASP A 65 -1.759 -15.749 2.035 1.00 54.52 O ATOM 1029 OD2 ASP A 65 -0.430 -15.134 0.407 1.00 52.25 O ATOM 0 H ASP A 65 -2.949 -14.316 3.318 1.00 62.42 H new ATOM 0 HA ASP A 65 -0.771 -12.638 2.671 1.00 70.55 H new ATOM 0 HB2 ASP A 65 -3.109 -13.673 0.995 1.00 33.33 H new ATOM 0 HB3 ASP A 65 -1.651 -12.962 0.333 1.00 33.33 H new ATOM 1034 N ARG A 66 -3.759 -11.219 2.293 1.00 0.02 N ATOM 1035 CA ARG A 66 -4.413 -9.906 2.181 1.00 41.44 C ATOM 1036 C ARG A 66 -4.205 -9.067 3.452 1.00 51.11 C ATOM 1037 O ARG A 66 -3.956 -7.868 3.374 1.00 64.42 O ATOM 1038 CB ARG A 66 -5.919 -10.044 1.864 1.00 72.35 C ATOM 1039 CG ARG A 66 -6.714 -10.861 2.877 1.00 23.32 C ATOM 1040 CD ARG A 66 -8.212 -10.855 2.570 1.00 51.52 C ATOM 1041 NE ARG A 66 -8.501 -11.284 1.199 1.00 13.54 N ATOM 1042 CZ ARG A 66 -8.855 -12.496 0.859 1.00 31.31 C ATOM 1043 NH1 ARG A 66 -8.971 -13.430 1.752 1.00 41.40 N ATOM 1044 NH2 ARG A 66 -9.100 -12.769 -0.382 1.00 53.54 N ATOM 0 H ARG A 66 -4.400 -12.011 2.337 1.00 0.02 H new ATOM 0 HA ARG A 66 -3.942 -9.385 1.348 1.00 41.44 H new ATOM 0 HB2 ARG A 66 -6.355 -9.047 1.800 1.00 72.35 H new ATOM 0 HB3 ARG A 66 -6.028 -10.504 0.882 1.00 72.35 H new ATOM 0 HG2 ARG A 66 -6.349 -11.888 2.881 1.00 23.32 H new ATOM 0 HG3 ARG A 66 -6.547 -10.460 3.877 1.00 23.32 H new ATOM 0 HD2 ARG A 66 -8.727 -11.513 3.270 1.00 51.52 H new ATOM 0 HD3 ARG A 66 -8.608 -9.852 2.725 1.00 51.52 H new ATOM 0 HE ARG A 66 -8.420 -10.588 0.458 1.00 13.54 H new ATOM 0 HH11 ARG A 66 -8.785 -13.223 2.733 1.00 41.40 H new ATOM 0 HH12 ARG A 66 -9.248 -14.371 1.473 1.00 41.40 H new ATOM 0 HH21 ARG A 66 -9.017 -12.040 -1.091 1.00 53.54 H new ATOM 0 HH22 ARG A 66 -9.376 -13.713 -0.652 1.00 53.54 H new ATOM 1058 N ILE A 67 -4.284 -9.701 4.619 1.00 74.02 N ATOM 1059 CA ILE A 67 -4.082 -9.000 5.891 1.00 52.23 C ATOM 1060 C ILE A 67 -2.660 -8.417 5.990 1.00 13.21 C ATOM 1061 O ILE A 67 -2.483 -7.276 6.412 1.00 34.14 O ATOM 1062 CB ILE A 67 -4.360 -9.927 7.104 1.00 14.10 C ATOM 1063 CG1 ILE A 67 -5.837 -10.364 7.116 1.00 52.53 C ATOM 1064 CG2 ILE A 67 -3.992 -9.240 8.420 1.00 53.51 C ATOM 1065 CD1 ILE A 67 -6.824 -9.214 7.185 1.00 3.23 C ATOM 0 H ILE A 67 -4.486 -10.696 4.714 1.00 74.02 H new ATOM 0 HA ILE A 67 -4.797 -8.178 5.916 1.00 52.23 H new ATOM 0 HB ILE A 67 -3.734 -10.813 7.003 1.00 14.10 H new ATOM 0 HG12 ILE A 67 -6.039 -10.948 6.218 1.00 52.53 H new ATOM 0 HG13 ILE A 67 -6.003 -11.022 7.969 1.00 52.53 H new ATOM 0 HG21 ILE A 67 -4.198 -9.914 9.252 1.00 53.51 H new ATOM 0 HG22 ILE A 67 -2.932 -8.985 8.413 1.00 53.51 H new ATOM 0 HG23 ILE A 67 -4.583 -8.332 8.534 1.00 53.51 H new ATOM 0 HD11 ILE A 67 -7.841 -9.607 7.189 1.00 3.23 H new ATOM 0 HD12 ILE A 67 -6.652 -8.641 8.096 1.00 3.23 H new ATOM 0 HD13 ILE A 67 -6.689 -8.566 6.319 1.00 3.23 H new ATOM 1077 N ASN A 68 -1.657 -9.197 5.577 1.00 15.05 N ATOM 1078 CA ASN A 68 -0.263 -8.729 5.567 1.00 4.14 C ATOM 1079 C ASN A 68 -0.118 -7.425 4.769 1.00 72.51 C ATOM 1080 O ASN A 68 0.309 -6.398 5.306 1.00 60.35 O ATOM 1081 CB ASN A 68 0.662 -9.800 4.970 1.00 74.53 C ATOM 1082 CG ASN A 68 2.107 -9.331 4.860 1.00 73.24 C ATOM 1083 OD1 ASN A 68 2.612 -8.605 5.715 1.00 45.22 O ATOM 1084 ND2 ASN A 68 2.781 -9.726 3.799 1.00 32.55 N ATOM 0 H ASN A 68 -1.781 -10.154 5.245 1.00 15.05 H new ATOM 0 HA ASN A 68 0.025 -8.538 6.601 1.00 4.14 H new ATOM 0 HB2 ASN A 68 0.621 -10.696 5.589 1.00 74.53 H new ATOM 0 HB3 ASN A 68 0.298 -10.079 3.981 1.00 74.53 H new ATOM 0 HD21 ASN A 68 3.748 -9.430 3.670 1.00 32.55 H new ATOM 0 HD22 ASN A 68 2.335 -10.328 3.107 1.00 32.55 H new ATOM 1091 N VAL A 69 -0.486 -7.467 3.487 1.00 60.03 N ATOM 1092 CA VAL A 69 -0.355 -6.295 2.614 1.00 32.53 C ATOM 1093 C VAL A 69 -1.253 -5.128 3.065 1.00 72.12 C ATOM 1094 O VAL A 69 -0.887 -3.963 2.910 1.00 15.44 O ATOM 1095 CB VAL A 69 -0.637 -6.643 1.131 1.00 13.22 C ATOM 1096 CG1 VAL A 69 0.381 -7.660 0.616 1.00 13.15 C ATOM 1097 CG2 VAL A 69 -2.061 -7.162 0.947 1.00 64.02 C ATOM 0 H VAL A 69 -0.875 -8.293 3.031 1.00 60.03 H new ATOM 0 HA VAL A 69 0.683 -5.972 2.698 1.00 32.53 H new ATOM 0 HB VAL A 69 -0.538 -5.729 0.546 1.00 13.22 H new ATOM 0 HG11 VAL A 69 0.167 -7.892 -0.427 1.00 13.15 H new ATOM 0 HG12 VAL A 69 1.385 -7.243 0.696 1.00 13.15 H new ATOM 0 HG13 VAL A 69 0.318 -8.571 1.211 1.00 13.15 H new ATOM 0 HG21 VAL A 69 -2.229 -7.398 -0.104 1.00 64.02 H new ATOM 0 HG22 VAL A 69 -2.201 -8.061 1.548 1.00 64.02 H new ATOM 0 HG23 VAL A 69 -2.771 -6.398 1.266 1.00 64.02 H new ATOM 1107 N LEU A 70 -2.418 -5.438 3.637 1.00 73.22 N ATOM 1108 CA LEU A 70 -3.315 -4.400 4.166 1.00 51.12 C ATOM 1109 C LEU A 70 -2.717 -3.701 5.398 1.00 4.51 C ATOM 1110 O LEU A 70 -2.816 -2.476 5.533 1.00 23.01 O ATOM 1111 CB LEU A 70 -4.690 -4.990 4.518 1.00 42.22 C ATOM 1112 CG LEU A 70 -5.579 -5.356 3.317 1.00 2.44 C ATOM 1113 CD1 LEU A 70 -6.890 -5.989 3.786 1.00 12.12 C ATOM 1114 CD2 LEU A 70 -5.849 -4.122 2.459 1.00 74.24 C ATOM 0 H LEU A 70 -2.764 -6.391 3.747 1.00 73.22 H new ATOM 0 HA LEU A 70 -3.437 -3.655 3.380 1.00 51.12 H new ATOM 0 HB2 LEU A 70 -4.539 -5.885 5.122 1.00 42.22 H new ATOM 0 HB3 LEU A 70 -5.226 -4.273 5.140 1.00 42.22 H new ATOM 0 HG LEU A 70 -5.050 -6.089 2.708 1.00 2.44 H new ATOM 0 HD11 LEU A 70 -7.503 -6.240 2.920 1.00 12.12 H new ATOM 0 HD12 LEU A 70 -6.674 -6.895 4.353 1.00 12.12 H new ATOM 0 HD13 LEU A 70 -7.428 -5.284 4.420 1.00 12.12 H new ATOM 0 HD21 LEU A 70 -6.479 -4.398 1.613 1.00 74.24 H new ATOM 0 HD22 LEU A 70 -6.356 -3.366 3.058 1.00 74.24 H new ATOM 0 HD23 LEU A 70 -4.905 -3.720 2.092 1.00 74.24 H new ATOM 1126 N ASN A 71 -2.106 -4.475 6.297 1.00 71.31 N ATOM 1127 CA ASN A 71 -1.479 -3.914 7.502 1.00 63.44 C ATOM 1128 C ASN A 71 -0.310 -2.986 7.147 1.00 4.22 C ATOM 1129 O ASN A 71 -0.279 -1.826 7.567 1.00 63.15 O ATOM 1130 CB ASN A 71 -0.987 -5.027 8.439 1.00 25.15 C ATOM 1131 CG ASN A 71 -2.125 -5.821 9.052 1.00 73.33 C ATOM 1132 OD1 ASN A 71 -3.232 -5.319 9.216 1.00 70.41 O ATOM 1133 ND2 ASN A 71 -1.860 -7.058 9.417 1.00 2.53 N ATOM 0 H ASN A 71 -2.030 -5.489 6.217 1.00 71.31 H new ATOM 0 HA ASN A 71 -2.243 -3.330 8.016 1.00 63.44 H new ATOM 0 HB2 ASN A 71 -0.336 -5.702 7.884 1.00 25.15 H new ATOM 0 HB3 ASN A 71 -0.386 -4.587 9.235 1.00 25.15 H new ATOM 0 HD21 ASN A 71 -2.586 -7.629 9.850 1.00 2.53 H new ATOM 0 HD22 ASN A 71 -0.929 -7.446 9.266 1.00 2.53 H new ATOM 1140 N GLN A 72 0.634 -3.492 6.352 1.00 13.44 N ATOM 1141 CA GLN A 72 1.806 -2.702 5.948 1.00 5.53 C ATOM 1142 C GLN A 72 1.394 -1.480 5.103 1.00 60.01 C ATOM 1143 O GLN A 72 2.014 -0.418 5.191 1.00 22.15 O ATOM 1144 CB GLN A 72 2.821 -3.586 5.197 1.00 20.22 C ATOM 1145 CG GLN A 72 2.280 -4.223 3.923 1.00 31.32 C ATOM 1146 CD GLN A 72 3.267 -5.169 3.247 1.00 43.20 C ATOM 1147 OE1 GLN A 72 3.284 -5.297 2.029 1.00 42.33 O ATOM 1148 NE2 GLN A 72 4.078 -5.857 4.025 1.00 20.32 N ATOM 0 H GLN A 72 0.614 -4.440 5.975 1.00 13.44 H new ATOM 0 HA GLN A 72 2.288 -2.324 6.850 1.00 5.53 H new ATOM 0 HB2 GLN A 72 3.693 -2.983 4.945 1.00 20.22 H new ATOM 0 HB3 GLN A 72 3.162 -4.375 5.867 1.00 20.22 H new ATOM 0 HG2 GLN A 72 1.368 -4.771 4.160 1.00 31.32 H new ATOM 0 HG3 GLN A 72 2.005 -3.435 3.221 1.00 31.32 H new ATOM 0 HE21 GLN A 72 4.043 -5.731 5.037 1.00 20.32 H new ATOM 0 HE22 GLN A 72 4.741 -6.515 3.616 1.00 20.32 H new ATOM 1157 N ALA A 73 0.332 -1.627 4.307 1.00 4.02 N ATOM 1158 CA ALA A 73 -0.231 -0.494 3.556 1.00 11.13 C ATOM 1159 C ALA A 73 -0.753 0.589 4.510 1.00 21.54 C ATOM 1160 O ALA A 73 -0.465 1.776 4.340 1.00 23.31 O ATOM 1161 CB ALA A 73 -1.347 -0.968 2.631 1.00 73.23 C ATOM 0 H ALA A 73 -0.155 -2.512 4.164 1.00 4.02 H new ATOM 0 HA ALA A 73 0.564 -0.061 2.950 1.00 11.13 H new ATOM 0 HB1 ALA A 73 -1.752 -0.117 2.083 1.00 73.23 H new ATOM 0 HB2 ALA A 73 -0.950 -1.698 1.925 1.00 73.23 H new ATOM 0 HB3 ALA A 73 -2.138 -1.429 3.222 1.00 73.23 H new ATOM 1167 N THR A 74 -1.514 0.167 5.521 1.00 43.23 N ATOM 1168 CA THR A 74 -2.029 1.092 6.540 1.00 4.45 C ATOM 1169 C THR A 74 -0.878 1.811 7.259 1.00 52.41 C ATOM 1170 O THR A 74 -0.920 3.024 7.456 1.00 31.33 O ATOM 1171 CB THR A 74 -2.901 0.362 7.592 1.00 42.10 C ATOM 1172 OG1 THR A 74 -4.024 -0.278 6.963 1.00 74.33 O ATOM 1173 CG2 THR A 74 -3.410 1.330 8.657 1.00 1.33 C ATOM 0 H THR A 74 -1.788 -0.806 5.659 1.00 43.23 H new ATOM 0 HA THR A 74 -2.648 1.821 6.017 1.00 4.45 H new ATOM 0 HB THR A 74 -2.272 -0.390 8.069 1.00 42.10 H new ATOM 0 HG1 THR A 74 -3.711 -1.039 6.431 1.00 74.33 H new ATOM 0 HG21 THR A 74 -4.019 0.788 9.381 1.00 1.33 H new ATOM 0 HG22 THR A 74 -2.563 1.789 9.167 1.00 1.33 H new ATOM 0 HG23 THR A 74 -4.013 2.106 8.185 1.00 1.33 H new ATOM 1181 N GLU A 75 0.152 1.048 7.634 1.00 24.14 N ATOM 1182 CA GLU A 75 1.346 1.604 8.287 1.00 75.42 C ATOM 1183 C GLU A 75 1.974 2.740 7.458 1.00 50.24 C ATOM 1184 O GLU A 75 2.361 3.778 8.000 1.00 33.12 O ATOM 1185 CB GLU A 75 2.380 0.491 8.525 1.00 10.11 C ATOM 1186 CG GLU A 75 1.944 -0.550 9.553 1.00 32.23 C ATOM 1187 CD GLU A 75 2.878 -1.752 9.619 1.00 63.43 C ATOM 1188 OE1 GLU A 75 4.044 -1.595 10.046 1.00 40.12 O ATOM 1189 OE2 GLU A 75 2.451 -2.864 9.242 1.00 42.14 O ATOM 0 H GLU A 75 0.185 0.038 7.497 1.00 24.14 H new ATOM 0 HA GLU A 75 1.036 2.025 9.243 1.00 75.42 H new ATOM 0 HB2 GLU A 75 2.584 -0.010 7.579 1.00 10.11 H new ATOM 0 HB3 GLU A 75 3.316 0.943 8.854 1.00 10.11 H new ATOM 0 HG2 GLU A 75 1.894 -0.082 10.536 1.00 32.23 H new ATOM 0 HG3 GLU A 75 0.938 -0.892 9.311 1.00 32.23 H new ATOM 1196 N VAL A 76 2.067 2.542 6.141 1.00 21.23 N ATOM 1197 CA VAL A 76 2.620 3.564 5.241 1.00 53.23 C ATOM 1198 C VAL A 76 1.716 4.807 5.159 1.00 40.41 C ATOM 1199 O VAL A 76 2.191 5.936 5.288 1.00 55.13 O ATOM 1200 CB VAL A 76 2.844 3.010 3.812 1.00 44.21 C ATOM 1201 CG1 VAL A 76 3.360 4.104 2.878 1.00 23.33 C ATOM 1202 CG2 VAL A 76 3.803 1.823 3.837 1.00 54.45 C ATOM 0 H VAL A 76 1.768 1.687 5.672 1.00 21.23 H new ATOM 0 HA VAL A 76 3.581 3.852 5.668 1.00 53.23 H new ATOM 0 HB VAL A 76 1.884 2.664 3.429 1.00 44.21 H new ATOM 0 HG11 VAL A 76 3.509 3.690 1.881 1.00 23.33 H new ATOM 0 HG12 VAL A 76 2.632 4.914 2.830 1.00 23.33 H new ATOM 0 HG13 VAL A 76 4.307 4.489 3.257 1.00 23.33 H new ATOM 0 HG21 VAL A 76 3.946 1.449 2.823 1.00 54.45 H new ATOM 0 HG22 VAL A 76 4.763 2.139 4.246 1.00 54.45 H new ATOM 0 HG23 VAL A 76 3.386 1.031 4.460 1.00 54.45 H new ATOM 1212 N ILE A 77 0.415 4.597 4.943 1.00 25.44 N ATOM 1213 CA ILE A 77 -0.542 5.712 4.857 1.00 21.42 C ATOM 1214 C ILE A 77 -0.552 6.545 6.153 1.00 71.42 C ATOM 1215 O ILE A 77 -0.565 7.780 6.113 1.00 11.11 O ATOM 1216 CB ILE A 77 -1.980 5.214 4.551 1.00 43.31 C ATOM 1217 CG1 ILE A 77 -2.001 4.418 3.234 1.00 43.43 C ATOM 1218 CG2 ILE A 77 -2.957 6.390 4.485 1.00 14.24 C ATOM 1219 CD1 ILE A 77 -3.364 3.859 2.871 1.00 65.11 C ATOM 0 H ILE A 77 -0.001 3.673 4.825 1.00 25.44 H new ATOM 0 HA ILE A 77 -0.210 6.343 4.033 1.00 21.42 H new ATOM 0 HB ILE A 77 -2.296 4.555 5.360 1.00 43.31 H new ATOM 0 HG12 ILE A 77 -1.658 5.064 2.426 1.00 43.43 H new ATOM 0 HG13 ILE A 77 -1.290 3.595 3.308 1.00 43.43 H new ATOM 0 HG21 ILE A 77 -3.959 6.019 4.270 1.00 14.24 H new ATOM 0 HG22 ILE A 77 -2.962 6.913 5.441 1.00 14.24 H new ATOM 0 HG23 ILE A 77 -2.647 7.077 3.697 1.00 14.24 H new ATOM 0 HD11 ILE A 77 -3.294 3.312 1.931 1.00 65.11 H new ATOM 0 HD12 ILE A 77 -3.703 3.186 3.658 1.00 65.11 H new ATOM 0 HD13 ILE A 77 -4.076 4.677 2.763 1.00 65.11 H new ATOM 1231 N ASN A 78 -0.539 5.863 7.302 1.00 23.45 N ATOM 1232 CA ASN A 78 -0.436 6.542 8.601 1.00 72.54 C ATOM 1233 C ASN A 78 0.831 7.400 8.664 1.00 53.53 C ATOM 1234 O ASN A 78 0.789 8.553 9.082 1.00 61.42 O ATOM 1235 CB ASN A 78 -0.419 5.533 9.756 1.00 73.31 C ATOM 1236 CG ASN A 78 -1.686 4.708 9.844 1.00 33.44 C ATOM 1237 OD1 ASN A 78 -1.577 3.527 10.413 1.00 5.20 O flip ATOM 1238 ND2 ASN A 78 -2.756 5.132 9.420 1.00 32.15 N flip ATOM 0 H ASN A 78 -0.598 4.846 7.361 1.00 23.45 H new ATOM 0 HA ASN A 78 -1.313 7.181 8.704 1.00 72.54 H new ATOM 0 HB2 ASN A 78 0.434 4.866 9.635 1.00 73.31 H new ATOM 0 HB3 ASN A 78 -0.275 6.067 10.695 1.00 73.31 H new ATOM 0 HD21 ASN A 78 -2.803 6.053 8.984 1.00 32.15 H new ATOM 0 HD22 ASN A 78 -3.599 4.564 9.503 1.00 32.15 H new ATOM 1245 N PHE A 79 1.951 6.822 8.229 1.00 5.35 N ATOM 1246 CA PHE A 79 3.243 7.515 8.211 1.00 60.42 C ATOM 1247 C PHE A 79 3.195 8.775 7.325 1.00 5.05 C ATOM 1248 O PHE A 79 3.686 9.833 7.712 1.00 71.24 O ATOM 1249 CB PHE A 79 4.332 6.549 7.717 1.00 30.24 C ATOM 1250 CG PHE A 79 5.743 7.068 7.860 1.00 72.22 C ATOM 1251 CD1 PHE A 79 6.329 7.182 9.114 1.00 71.14 C ATOM 1252 CD2 PHE A 79 6.486 7.430 6.745 1.00 12.25 C ATOM 1253 CE1 PHE A 79 7.623 7.648 9.251 1.00 44.15 C ATOM 1254 CE2 PHE A 79 7.781 7.894 6.878 1.00 74.31 C ATOM 1255 CZ PHE A 79 8.350 8.004 8.133 1.00 73.40 C ATOM 0 H PHE A 79 1.990 5.864 7.880 1.00 5.35 H new ATOM 0 HA PHE A 79 3.477 7.840 9.225 1.00 60.42 H new ATOM 0 HB2 PHE A 79 4.246 5.612 8.268 1.00 30.24 H new ATOM 0 HB3 PHE A 79 4.147 6.320 6.667 1.00 30.24 H new ATOM 0 HD1 PHE A 79 5.767 6.903 9.993 1.00 71.14 H new ATOM 0 HD2 PHE A 79 6.047 7.348 5.762 1.00 12.25 H new ATOM 0 HE1 PHE A 79 8.065 7.734 10.233 1.00 44.15 H new ATOM 0 HE2 PHE A 79 8.348 8.171 6.002 1.00 74.31 H new ATOM 0 HZ PHE A 79 9.361 8.368 8.239 1.00 73.40 H new ATOM 1265 N TRP A 80 2.587 8.657 6.143 1.00 0.12 N ATOM 1266 CA TRP A 80 2.431 9.800 5.234 1.00 45.33 C ATOM 1267 C TRP A 80 1.656 10.943 5.911 1.00 52.13 C ATOM 1268 O TRP A 80 2.133 12.078 5.981 1.00 1.24 O ATOM 1269 CB TRP A 80 1.707 9.361 3.952 1.00 51.42 C ATOM 1270 CG TRP A 80 1.580 10.449 2.923 1.00 20.42 C ATOM 1271 CD1 TRP A 80 2.482 10.757 1.944 1.00 43.13 C ATOM 1272 CD2 TRP A 80 0.489 11.371 2.768 1.00 23.32 C ATOM 1273 NE1 TRP A 80 2.025 11.813 1.197 1.00 40.12 N ATOM 1274 CE2 TRP A 80 0.806 12.208 1.682 1.00 72.25 C ATOM 1275 CE3 TRP A 80 -0.720 11.574 3.444 1.00 73.34 C ATOM 1276 CZ2 TRP A 80 -0.043 13.224 1.254 1.00 23.51 C ATOM 1277 CZ3 TRP A 80 -1.561 12.584 3.017 1.00 11.51 C ATOM 1278 CH2 TRP A 80 -1.218 13.399 1.931 1.00 11.50 C ATOM 0 H TRP A 80 2.194 7.784 5.791 1.00 0.12 H new ATOM 0 HA TRP A 80 3.425 10.167 4.977 1.00 45.33 H new ATOM 0 HB2 TRP A 80 2.243 8.520 3.513 1.00 51.42 H new ATOM 0 HB3 TRP A 80 0.711 9.003 4.213 1.00 51.42 H new ATOM 0 HD1 TRP A 80 3.418 10.244 1.782 1.00 43.13 H new ATOM 0 HE1 TRP A 80 2.514 12.236 0.408 1.00 40.12 H new ATOM 0 HE3 TRP A 80 -0.991 10.952 4.284 1.00 73.34 H new ATOM 0 HZ2 TRP A 80 0.217 13.853 0.416 1.00 23.51 H new ATOM 0 HZ3 TRP A 80 -2.498 12.747 3.529 1.00 11.51 H new ATOM 0 HH2 TRP A 80 -1.895 14.181 1.622 1.00 11.50 H new ATOM 1289 N GLN A 81 0.460 10.631 6.411 1.00 23.13 N ATOM 1290 CA GLN A 81 -0.368 11.613 7.119 1.00 72.23 C ATOM 1291 C GLN A 81 0.386 12.179 8.335 1.00 23.15 C ATOM 1292 O GLN A 81 0.346 13.384 8.599 1.00 34.33 O ATOM 1293 CB GLN A 81 -1.702 10.963 7.540 1.00 62.51 C ATOM 1294 CG GLN A 81 -2.711 11.919 8.187 1.00 53.21 C ATOM 1295 CD GLN A 81 -2.459 12.164 9.669 1.00 13.34 C ATOM 1296 OE1 GLN A 81 -1.972 11.293 10.384 1.00 3.12 O ATOM 1297 NE2 GLN A 81 -2.775 13.353 10.141 1.00 10.40 N ATOM 0 H GLN A 81 0.040 9.704 6.339 1.00 23.13 H new ATOM 0 HA GLN A 81 -0.587 12.446 6.450 1.00 72.23 H new ATOM 0 HB2 GLN A 81 -2.163 10.512 6.661 1.00 62.51 H new ATOM 0 HB3 GLN A 81 -1.490 10.154 8.239 1.00 62.51 H new ATOM 0 HG2 GLN A 81 -2.684 12.873 7.660 1.00 53.21 H new ATOM 0 HG3 GLN A 81 -3.715 11.514 8.060 1.00 53.21 H new ATOM 0 HE21 GLN A 81 -3.178 14.057 9.522 1.00 10.40 H new ATOM 0 HE22 GLN A 81 -2.616 13.570 11.125 1.00 10.40 H new ATOM 1306 N ASP A 82 1.090 11.296 9.044 1.00 14.33 N ATOM 1307 CA ASP A 82 1.894 11.665 10.215 1.00 53.10 C ATOM 1308 C ASP A 82 2.897 12.785 9.880 1.00 64.21 C ATOM 1309 O ASP A 82 2.991 13.796 10.590 1.00 35.30 O ATOM 1310 CB ASP A 82 2.629 10.420 10.728 1.00 42.43 C ATOM 1311 CG ASP A 82 3.434 10.680 11.984 1.00 53.54 C ATOM 1312 OD1 ASP A 82 2.838 10.728 13.081 1.00 71.22 O ATOM 1313 OD2 ASP A 82 4.665 10.842 11.888 1.00 52.23 O ATOM 0 H ASP A 82 1.120 10.301 8.823 1.00 14.33 H new ATOM 0 HA ASP A 82 1.231 12.048 10.991 1.00 53.10 H new ATOM 0 HB2 ASP A 82 1.902 9.632 10.926 1.00 42.43 H new ATOM 0 HB3 ASP A 82 3.294 10.051 9.947 1.00 42.43 H new ATOM 1318 N LEU A 83 3.635 12.601 8.789 1.00 54.01 N ATOM 1319 CA LEU A 83 4.602 13.602 8.326 1.00 75.14 C ATOM 1320 C LEU A 83 3.902 14.914 7.933 1.00 22.44 C ATOM 1321 O LEU A 83 4.389 16.002 8.235 1.00 2.22 O ATOM 1322 CB LEU A 83 5.392 13.068 7.122 1.00 22.15 C ATOM 1323 CG LEU A 83 6.123 11.733 7.340 1.00 3.34 C ATOM 1324 CD1 LEU A 83 6.881 11.328 6.080 1.00 45.42 C ATOM 1325 CD2 LEU A 83 7.067 11.815 8.539 1.00 31.23 C ATOM 0 H LEU A 83 3.584 11.766 8.205 1.00 54.01 H new ATOM 0 HA LEU A 83 5.286 13.804 9.151 1.00 75.14 H new ATOM 0 HB2 LEU A 83 4.705 12.952 6.284 1.00 22.15 H new ATOM 0 HB3 LEU A 83 6.126 13.819 6.831 1.00 22.15 H new ATOM 0 HG LEU A 83 5.377 10.967 7.554 1.00 3.34 H new ATOM 0 HD11 LEU A 83 7.393 10.381 6.252 1.00 45.42 H new ATOM 0 HD12 LEU A 83 6.179 11.217 5.253 1.00 45.42 H new ATOM 0 HD13 LEU A 83 7.613 12.097 5.833 1.00 45.42 H new ATOM 0 HD21 LEU A 83 7.571 10.858 8.671 1.00 31.23 H new ATOM 0 HD22 LEU A 83 7.808 12.595 8.366 1.00 31.23 H new ATOM 0 HD23 LEU A 83 6.495 12.051 9.437 1.00 31.23 H new ATOM 1337 N LYS A 84 2.751 14.795 7.272 1.00 65.33 N ATOM 1338 CA LYS A 84 2.019 15.963 6.759 1.00 50.22 C ATOM 1339 C LYS A 84 1.546 16.911 7.878 1.00 3.23 C ATOM 1340 O LYS A 84 1.725 18.126 7.775 1.00 5.11 O ATOM 1341 CB LYS A 84 0.820 15.507 5.914 1.00 1.13 C ATOM 1342 CG LYS A 84 1.218 14.759 4.642 1.00 74.14 C ATOM 1343 CD LYS A 84 1.943 15.655 3.630 1.00 60.23 C ATOM 1344 CE LYS A 84 0.981 16.526 2.816 1.00 22.35 C ATOM 1345 NZ LYS A 84 0.242 17.511 3.650 1.00 75.44 N ATOM 0 H LYS A 84 2.301 13.901 7.076 1.00 65.33 H new ATOM 0 HA LYS A 84 2.716 16.526 6.138 1.00 50.22 H new ATOM 0 HB2 LYS A 84 0.183 14.863 6.520 1.00 1.13 H new ATOM 0 HB3 LYS A 84 0.225 16.379 5.642 1.00 1.13 H new ATOM 0 HG2 LYS A 84 1.862 13.920 4.905 1.00 74.14 H new ATOM 0 HG3 LYS A 84 0.325 14.341 4.177 1.00 74.14 H new ATOM 0 HD2 LYS A 84 2.648 16.296 4.159 1.00 60.23 H new ATOM 0 HD3 LYS A 84 2.525 15.032 2.951 1.00 60.23 H new ATOM 0 HE2 LYS A 84 1.543 17.057 2.048 1.00 22.35 H new ATOM 0 HE3 LYS A 84 0.266 15.884 2.302 1.00 22.35 H new ATOM 0 HZ1 LYS A 84 -0.003 18.340 3.072 1.00 75.44 H new ATOM 0 HZ2 LYS A 84 -0.628 17.074 4.015 1.00 75.44 H new ATOM 0 HZ3 LYS A 84 0.840 17.809 4.447 1.00 75.44 H new ATOM 1359 N ASN A 85 0.944 16.370 8.941 1.00 31.23 N ATOM 1360 CA ASN A 85 0.431 17.219 10.032 1.00 14.52 C ATOM 1361 C ASN A 85 1.565 17.761 10.926 1.00 50.04 C ATOM 1362 O ASN A 85 1.435 18.831 11.530 1.00 32.34 O ATOM 1363 CB ASN A 85 -0.619 16.479 10.883 1.00 43.22 C ATOM 1364 CG ASN A 85 -0.065 15.272 11.618 1.00 22.11 C ATOM 1365 OD1 ASN A 85 -0.226 14.103 11.046 1.00 23.01 O flip ATOM 1366 ND2 ASN A 85 0.479 15.387 12.709 1.00 1.02 N flip ATOM 0 H ASN A 85 0.799 15.369 9.073 1.00 31.23 H new ATOM 0 HA ASN A 85 -0.055 18.072 9.558 1.00 14.52 H new ATOM 0 HB2 ASN A 85 -1.041 17.174 11.609 1.00 43.22 H new ATOM 0 HB3 ASN A 85 -1.436 16.157 10.237 1.00 43.22 H new ATOM 0 HD21 ASN A 85 0.590 16.310 13.129 1.00 1.02 H new ATOM 0 HD22 ASN A 85 0.821 14.560 13.198 1.00 1.02 H new ATOM 1373 N GLN A 86 2.674 17.024 11.014 1.00 74.45 N ATOM 1374 CA GLN A 86 3.836 17.470 11.800 1.00 25.12 C ATOM 1375 C GLN A 86 4.839 18.261 10.944 1.00 71.41 C ATOM 1376 O GLN A 86 5.759 18.889 11.475 1.00 54.15 O ATOM 1377 CB GLN A 86 4.538 16.265 12.438 1.00 44.15 C ATOM 1378 CG GLN A 86 3.644 15.468 13.375 1.00 23.45 C ATOM 1379 CD GLN A 86 4.365 14.288 14.000 1.00 32.42 C ATOM 1380 OE1 GLN A 86 4.371 13.174 13.310 1.00 23.14 O flip ATOM 1381 NE2 GLN A 86 4.930 14.382 15.086 1.00 14.24 N flip ATOM 0 H GLN A 86 2.796 16.121 10.556 1.00 74.45 H new ATOM 0 HA GLN A 86 3.465 18.134 12.580 1.00 25.12 H new ATOM 0 HB2 GLN A 86 4.902 15.607 11.649 1.00 44.15 H new ATOM 0 HB3 GLN A 86 5.411 16.614 12.990 1.00 44.15 H new ATOM 0 HG2 GLN A 86 3.274 16.123 14.164 1.00 23.45 H new ATOM 0 HG3 GLN A 86 2.774 15.109 12.825 1.00 23.45 H new ATOM 0 HE21 GLN A 86 4.907 15.264 15.598 1.00 14.24 H new ATOM 0 HE22 GLN A 86 5.423 13.578 15.476 1.00 14.24 H new ATOM 1390 N ASN A 87 4.655 18.223 9.623 1.00 74.52 N ATOM 1391 CA ASN A 87 5.556 18.899 8.675 1.00 44.32 C ATOM 1392 C ASN A 87 7.000 18.380 8.778 1.00 61.43 C ATOM 1393 O ASN A 87 7.958 19.152 8.694 1.00 72.05 O ATOM 1394 CB ASN A 87 5.512 20.419 8.878 1.00 71.25 C ATOM 1395 CG ASN A 87 4.182 21.009 8.447 1.00 1.42 C ATOM 1396 OD1 ASN A 87 3.995 21.363 7.288 1.00 22.24 O ATOM 1397 ND2 ASN A 87 3.250 21.125 9.367 1.00 31.22 N ATOM 0 H ASN A 87 3.883 17.727 9.178 1.00 74.52 H new ATOM 0 HA ASN A 87 5.201 18.668 7.671 1.00 44.32 H new ATOM 0 HB2 ASN A 87 5.688 20.650 9.928 1.00 71.25 H new ATOM 0 HB3 ASN A 87 6.317 20.885 8.310 1.00 71.25 H new ATOM 0 HD21 ASN A 87 2.341 21.519 9.125 1.00 31.22 H new ATOM 0 HD22 ASN A 87 3.436 20.821 10.323 1.00 31.22 H new ATOM 1404 N LYS A 88 7.146 17.066 8.941 1.00 24.45 N ATOM 1405 CA LYS A 88 8.471 16.434 8.985 1.00 44.35 C ATOM 1406 C LYS A 88 9.095 16.365 7.585 1.00 14.13 C ATOM 1407 O LYS A 88 8.707 15.536 6.757 1.00 75.24 O ATOM 1408 CB LYS A 88 8.377 15.020 9.572 1.00 62.20 C ATOM 1409 CG LYS A 88 8.037 14.976 11.058 1.00 31.34 C ATOM 1410 CD LYS A 88 8.012 13.542 11.584 1.00 53.14 C ATOM 1411 CE LYS A 88 7.848 13.488 13.101 1.00 62.11 C ATOM 1412 NZ LYS A 88 8.948 14.201 13.804 1.00 64.04 N ATOM 0 H LYS A 88 6.367 16.416 9.045 1.00 24.45 H new ATOM 0 HA LYS A 88 9.107 17.047 9.624 1.00 44.35 H new ATOM 0 HB2 LYS A 88 7.620 14.461 9.022 1.00 62.20 H new ATOM 0 HB3 LYS A 88 9.327 14.510 9.414 1.00 62.20 H new ATOM 0 HG2 LYS A 88 8.770 15.557 11.617 1.00 31.34 H new ATOM 0 HG3 LYS A 88 7.066 15.443 11.224 1.00 31.34 H new ATOM 0 HD2 LYS A 88 7.194 12.998 11.112 1.00 53.14 H new ATOM 0 HD3 LYS A 88 8.936 13.037 11.302 1.00 53.14 H new ATOM 0 HE2 LYS A 88 6.892 13.932 13.379 1.00 62.11 H new ATOM 0 HE3 LYS A 88 7.823 12.448 13.427 1.00 62.11 H new ATOM 0 HZ1 LYS A 88 8.970 13.908 14.802 1.00 64.04 H new ATOM 0 HZ2 LYS A 88 9.856 13.967 13.355 1.00 64.04 H new ATOM 0 HZ3 LYS A 88 8.788 15.227 13.748 1.00 64.04 H new ATOM 1426 N GLN A 89 10.065 17.232 7.324 1.00 53.53 N ATOM 1427 CA GLN A 89 10.723 17.276 6.016 1.00 13.03 C ATOM 1428 C GLN A 89 11.838 16.220 5.920 1.00 33.12 C ATOM 1429 O GLN A 89 13.028 16.547 5.893 1.00 75.11 O ATOM 1430 CB GLN A 89 11.287 18.682 5.751 1.00 55.02 C ATOM 1431 CG GLN A 89 11.758 18.900 4.317 1.00 44.54 C ATOM 1432 CD GLN A 89 10.616 18.857 3.316 1.00 34.03 C ATOM 1433 OE1 GLN A 89 10.274 17.805 2.784 1.00 13.00 O ATOM 1434 NE2 GLN A 89 10.013 19.998 3.055 1.00 53.21 N ATOM 0 H GLN A 89 10.416 17.914 7.996 1.00 53.53 H new ATOM 0 HA GLN A 89 9.979 17.047 5.253 1.00 13.03 H new ATOM 0 HB2 GLN A 89 10.521 19.420 5.987 1.00 55.02 H new ATOM 0 HB3 GLN A 89 12.122 18.861 6.428 1.00 55.02 H new ATOM 0 HG2 GLN A 89 12.263 19.864 4.246 1.00 44.54 H new ATOM 0 HG3 GLN A 89 12.492 18.136 4.059 1.00 44.54 H new ATOM 0 HE21 GLN A 89 10.322 20.855 3.514 1.00 53.21 H new ATOM 0 HE22 GLN A 89 9.237 20.025 2.394 1.00 53.21 H new ATOM 1443 N ILE A 90 11.448 14.948 5.890 1.00 10.22 N ATOM 1444 CA ILE A 90 12.414 13.854 5.758 1.00 3.45 C ATOM 1445 C ILE A 90 12.580 13.433 4.293 1.00 23.00 C ATOM 1446 O ILE A 90 11.709 13.683 3.455 1.00 71.10 O ATOM 1447 CB ILE A 90 12.013 12.615 6.599 1.00 44.12 C ATOM 1448 CG1 ILE A 90 10.679 12.026 6.113 1.00 61.11 C ATOM 1449 CG2 ILE A 90 11.942 12.973 8.083 1.00 2.50 C ATOM 1450 CD1 ILE A 90 10.316 10.717 6.781 1.00 14.25 C ATOM 0 H ILE A 90 10.475 14.648 5.955 1.00 10.22 H new ATOM 0 HA ILE A 90 13.362 14.237 6.136 1.00 3.45 H new ATOM 0 HB ILE A 90 12.781 11.853 6.467 1.00 44.12 H new ATOM 0 HG12 ILE A 90 9.884 12.750 6.294 1.00 61.11 H new ATOM 0 HG13 ILE A 90 10.730 11.872 5.035 1.00 61.11 H new ATOM 0 HG21 ILE A 90 11.659 12.091 8.657 1.00 2.50 H new ATOM 0 HG22 ILE A 90 12.917 13.327 8.419 1.00 2.50 H new ATOM 0 HG23 ILE A 90 11.200 13.757 8.233 1.00 2.50 H new ATOM 0 HD11 ILE A 90 9.363 10.361 6.389 1.00 14.25 H new ATOM 0 HD12 ILE A 90 11.091 9.978 6.578 1.00 14.25 H new ATOM 0 HD13 ILE A 90 10.232 10.869 7.857 1.00 14.25 H new ATOM 1462 N SER A 91 13.697 12.781 3.995 1.00 63.41 N ATOM 1463 CA SER A 91 14.000 12.334 2.630 1.00 20.23 C ATOM 1464 C SER A 91 13.286 11.016 2.299 1.00 74.01 C ATOM 1465 O SER A 91 13.130 10.149 3.159 1.00 11.45 O ATOM 1466 CB SER A 91 15.517 12.164 2.454 1.00 21.15 C ATOM 1467 OG SER A 91 16.199 13.399 2.635 1.00 64.53 O ATOM 0 H SER A 91 14.415 12.546 4.680 1.00 63.41 H new ATOM 0 HA SER A 91 13.638 13.097 1.941 1.00 20.23 H new ATOM 0 HB2 SER A 91 15.889 11.432 3.171 1.00 21.15 H new ATOM 0 HB3 SER A 91 15.728 11.772 1.459 1.00 21.15 H new ATOM 0 HG SER A 91 17.162 13.261 2.519 1.00 64.53 H new ATOM 1473 N MET A 92 12.861 10.873 1.040 1.00 21.53 N ATOM 1474 CA MET A 92 12.182 9.655 0.558 1.00 62.21 C ATOM 1475 C MET A 92 12.936 8.375 0.964 1.00 31.25 C ATOM 1476 O MET A 92 12.322 7.383 1.371 1.00 3.31 O ATOM 1477 CB MET A 92 12.022 9.729 -0.972 1.00 72.30 C ATOM 1478 CG MET A 92 11.419 8.484 -1.617 1.00 54.01 C ATOM 1479 SD MET A 92 12.571 7.094 -1.678 1.00 42.04 S ATOM 1480 CE MET A 92 11.603 5.882 -2.580 1.00 75.31 C ATOM 0 H MET A 92 12.975 11.592 0.325 1.00 21.53 H new ATOM 0 HA MET A 92 11.199 9.606 1.026 1.00 62.21 H new ATOM 0 HB2 MET A 92 11.395 10.586 -1.216 1.00 72.30 H new ATOM 0 HB3 MET A 92 13.000 9.913 -1.416 1.00 72.30 H new ATOM 0 HG2 MET A 92 10.530 8.188 -1.061 1.00 54.01 H new ATOM 0 HG3 MET A 92 11.096 8.726 -2.630 1.00 54.01 H new ATOM 0 HE1 MET A 92 12.139 4.933 -2.605 1.00 75.31 H new ATOM 0 HE2 MET A 92 10.642 5.743 -2.085 1.00 75.31 H new ATOM 0 HE3 MET A 92 11.439 6.233 -3.599 1.00 75.31 H new ATOM 1490 N ALA A 93 14.266 8.411 0.869 1.00 2.33 N ATOM 1491 CA ALA A 93 15.110 7.265 1.237 1.00 44.22 C ATOM 1492 C ALA A 93 14.838 6.774 2.673 1.00 2.42 C ATOM 1493 O ALA A 93 14.967 5.583 2.969 1.00 73.55 O ATOM 1494 CB ALA A 93 16.582 7.632 1.074 1.00 34.44 C ATOM 0 H ALA A 93 14.787 9.224 0.539 1.00 2.33 H new ATOM 0 HA ALA A 93 14.859 6.444 0.565 1.00 44.22 H new ATOM 0 HB1 ALA A 93 17.202 6.779 1.348 1.00 34.44 H new ATOM 0 HB2 ALA A 93 16.777 7.903 0.036 1.00 34.44 H new ATOM 0 HB3 ALA A 93 16.820 8.476 1.721 1.00 34.44 H new ATOM 1500 N GLU A 94 14.463 7.693 3.562 1.00 72.22 N ATOM 1501 CA GLU A 94 14.157 7.347 4.957 1.00 13.22 C ATOM 1502 C GLU A 94 12.900 6.463 5.056 1.00 2.42 C ATOM 1503 O GLU A 94 12.799 5.609 5.938 1.00 43.51 O ATOM 1504 CB GLU A 94 13.992 8.621 5.803 1.00 21.52 C ATOM 1505 CG GLU A 94 15.254 9.476 5.853 1.00 11.33 C ATOM 1506 CD GLU A 94 15.115 10.708 6.731 1.00 51.13 C ATOM 1507 OE1 GLU A 94 14.812 10.561 7.934 1.00 64.23 O ATOM 1508 OE2 GLU A 94 15.339 11.831 6.232 1.00 13.04 O ATOM 0 H GLU A 94 14.363 8.684 3.345 1.00 72.22 H new ATOM 0 HA GLU A 94 14.996 6.773 5.350 1.00 13.22 H new ATOM 0 HB2 GLU A 94 13.174 9.216 5.397 1.00 21.52 H new ATOM 0 HB3 GLU A 94 13.710 8.341 6.818 1.00 21.52 H new ATOM 0 HG2 GLU A 94 16.081 8.869 6.221 1.00 11.33 H new ATOM 0 HG3 GLU A 94 15.513 9.788 4.841 1.00 11.33 H new ATOM 1515 N ALA A 95 11.951 6.664 4.139 1.00 35.31 N ATOM 1516 CA ALA A 95 10.739 5.834 4.085 1.00 50.51 C ATOM 1517 C ALA A 95 11.093 4.355 3.844 1.00 74.23 C ATOM 1518 O ALA A 95 10.449 3.455 4.380 1.00 3.53 O ATOM 1519 CB ALA A 95 9.789 6.344 3.003 1.00 44.25 C ATOM 0 H ALA A 95 11.995 7.391 3.425 1.00 35.31 H new ATOM 0 HA ALA A 95 10.236 5.906 5.049 1.00 50.51 H new ATOM 0 HB1 ALA A 95 8.897 5.718 2.977 1.00 44.25 H new ATOM 0 HB2 ALA A 95 9.504 7.372 3.224 1.00 44.25 H new ATOM 0 HB3 ALA A 95 10.287 6.306 2.034 1.00 44.25 H new ATOM 1525 N GLN A 96 12.136 4.118 3.043 1.00 30.45 N ATOM 1526 CA GLN A 96 12.655 2.759 2.812 1.00 60.14 C ATOM 1527 C GLN A 96 13.364 2.211 4.059 1.00 4.42 C ATOM 1528 O GLN A 96 13.443 0.998 4.255 1.00 25.23 O ATOM 1529 CB GLN A 96 13.609 2.749 1.605 1.00 11.35 C ATOM 1530 CG GLN A 96 12.891 2.760 0.258 1.00 75.14 C ATOM 1531 CD GLN A 96 12.200 1.438 -0.038 1.00 70.25 C ATOM 1532 OE1 GLN A 96 12.770 0.546 -0.660 1.00 52.23 O ATOM 1533 NE2 GLN A 96 10.978 1.288 0.428 1.00 52.05 N ATOM 0 H GLN A 96 12.641 4.848 2.541 1.00 30.45 H new ATOM 0 HA GLN A 96 11.807 2.109 2.598 1.00 60.14 H new ATOM 0 HB2 GLN A 96 14.266 3.617 1.664 1.00 11.35 H new ATOM 0 HB3 GLN A 96 14.244 1.865 1.662 1.00 11.35 H new ATOM 0 HG2 GLN A 96 12.154 3.563 0.248 1.00 75.14 H new ATOM 0 HG3 GLN A 96 13.609 2.977 -0.533 1.00 75.14 H new ATOM 0 HE21 GLN A 96 10.531 2.048 0.941 1.00 52.05 H new ATOM 0 HE22 GLN A 96 10.478 0.412 0.276 1.00 52.05 H new ATOM 1542 N GLY A 97 13.882 3.112 4.892 1.00 30.41 N ATOM 1543 CA GLY A 97 14.472 2.709 6.164 1.00 61.24 C ATOM 1544 C GLY A 97 13.417 2.365 7.212 1.00 44.34 C ATOM 1545 O GLY A 97 13.691 1.650 8.177 1.00 62.01 O ATOM 0 H GLY A 97 13.905 4.115 4.711 1.00 30.41 H new ATOM 0 HA2 GLY A 97 15.117 1.845 6.005 1.00 61.24 H new ATOM 0 HA3 GLY A 97 15.104 3.514 6.539 1.00 61.24 H new ATOM 1549 N LYS A 98 12.207 2.896 7.026 1.00 63.55 N ATOM 1550 CA LYS A 98 11.080 2.621 7.926 1.00 54.34 C ATOM 1551 C LYS A 98 10.279 1.387 7.467 1.00 55.11 C ATOM 1552 O LYS A 98 9.894 0.548 8.285 1.00 53.33 O ATOM 1553 CB LYS A 98 10.157 3.850 8.010 1.00 40.31 C ATOM 1554 CG LYS A 98 8.966 3.676 8.955 1.00 61.41 C ATOM 1555 CD LYS A 98 9.398 3.491 10.411 1.00 43.23 C ATOM 1556 CE LYS A 98 10.123 4.719 10.959 1.00 1.52 C ATOM 1557 NZ LYS A 98 10.433 4.581 12.407 1.00 4.20 N ATOM 0 H LYS A 98 11.979 3.524 6.255 1.00 63.55 H new ATOM 0 HA LYS A 98 11.486 2.407 8.915 1.00 54.34 H new ATOM 0 HB2 LYS A 98 10.743 4.709 8.336 1.00 40.31 H new ATOM 0 HB3 LYS A 98 9.784 4.079 7.012 1.00 40.31 H new ATOM 0 HG2 LYS A 98 8.316 4.548 8.880 1.00 61.41 H new ATOM 0 HG3 LYS A 98 8.379 2.813 8.641 1.00 61.41 H new ATOM 0 HD2 LYS A 98 8.521 3.285 11.025 1.00 43.23 H new ATOM 0 HD3 LYS A 98 10.051 2.622 10.487 1.00 43.23 H new ATOM 0 HE2 LYS A 98 11.048 4.872 10.403 1.00 1.52 H new ATOM 0 HE3 LYS A 98 9.506 5.604 10.803 1.00 1.52 H new ATOM 0 HZ1 LYS A 98 10.925 5.435 12.740 1.00 4.20 H new ATOM 0 HZ2 LYS A 98 9.549 4.460 12.941 1.00 4.20 H new ATOM 0 HZ3 LYS A 98 11.043 3.751 12.554 1.00 4.20 H new ATOM 1571 N PHE A 99 10.031 1.281 6.157 1.00 44.52 N ATOM 1572 CA PHE A 99 9.260 0.157 5.596 1.00 22.44 C ATOM 1573 C PHE A 99 10.053 -0.592 4.508 1.00 21.23 C ATOM 1574 O PHE A 99 9.861 -0.360 3.310 1.00 33.32 O ATOM 1575 CB PHE A 99 7.929 0.657 5.009 1.00 10.05 C ATOM 1576 CG PHE A 99 7.099 1.457 5.980 1.00 20.43 C ATOM 1577 CD1 PHE A 99 6.462 0.841 7.049 1.00 65.20 C ATOM 1578 CD2 PHE A 99 6.958 2.830 5.823 1.00 31.54 C ATOM 1579 CE1 PHE A 99 5.703 1.578 7.939 1.00 72.23 C ATOM 1580 CE2 PHE A 99 6.201 3.568 6.711 1.00 43.43 C ATOM 1581 CZ PHE A 99 5.572 2.943 7.769 1.00 54.23 C ATOM 0 H PHE A 99 10.351 1.957 5.463 1.00 44.52 H new ATOM 0 HA PHE A 99 9.061 -0.537 6.412 1.00 22.44 H new ATOM 0 HB2 PHE A 99 8.137 1.270 4.132 1.00 10.05 H new ATOM 0 HB3 PHE A 99 7.348 -0.200 4.669 1.00 10.05 H new ATOM 0 HD1 PHE A 99 6.561 -0.226 7.187 1.00 65.20 H new ATOM 0 HD2 PHE A 99 7.446 3.326 4.997 1.00 31.54 H new ATOM 0 HE1 PHE A 99 5.213 1.087 8.767 1.00 72.23 H new ATOM 0 HE2 PHE A 99 6.101 4.635 6.578 1.00 43.43 H new ATOM 0 HZ PHE A 99 4.978 3.520 8.463 1.00 54.23 H new ATOM 1591 N PRO A 100 10.956 -1.510 4.906 1.00 13.11 N ATOM 1592 CA PRO A 100 11.799 -2.256 3.951 1.00 5.11 C ATOM 1593 C PRO A 100 11.000 -3.258 3.103 1.00 51.42 C ATOM 1594 O PRO A 100 11.427 -3.648 2.013 1.00 50.02 O ATOM 1595 CB PRO A 100 12.791 -2.993 4.859 1.00 44.43 C ATOM 1596 CG PRO A 100 12.072 -3.138 6.159 1.00 31.10 C ATOM 1597 CD PRO A 100 11.233 -1.895 6.304 1.00 40.24 C ATOM 0 HA PRO A 100 12.269 -1.593 3.224 1.00 5.11 H new ATOM 0 HB2 PRO A 100 13.062 -3.964 4.445 1.00 44.43 H new ATOM 0 HB3 PRO A 100 13.716 -2.428 4.978 1.00 44.43 H new ATOM 0 HG2 PRO A 100 11.450 -4.033 6.164 1.00 31.10 H new ATOM 0 HG3 PRO A 100 12.775 -3.234 6.986 1.00 31.10 H new ATOM 0 HD2 PRO A 100 10.315 -2.091 6.857 1.00 40.24 H new ATOM 0 HD3 PRO A 100 11.766 -1.110 6.840 1.00 40.24 H new ATOM 1605 N GLU A 101 9.838 -3.668 3.608 1.00 1.25 N ATOM 1606 CA GLU A 101 8.995 -4.663 2.929 1.00 41.11 C ATOM 1607 C GLU A 101 8.060 -4.013 1.895 1.00 34.43 C ATOM 1608 O GLU A 101 7.338 -4.710 1.173 1.00 13.40 O ATOM 1609 CB GLU A 101 8.162 -5.431 3.965 1.00 24.01 C ATOM 1610 CG GLU A 101 8.993 -6.117 5.049 1.00 23.21 C ATOM 1611 CD GLU A 101 8.133 -6.717 6.155 1.00 60.41 C ATOM 1612 OE1 GLU A 101 7.724 -5.968 7.066 1.00 13.01 O ATOM 1613 OE2 GLU A 101 7.855 -7.934 6.117 1.00 21.12 O ATOM 0 H GLU A 101 9.453 -3.327 4.489 1.00 1.25 H new ATOM 0 HA GLU A 101 9.655 -5.348 2.398 1.00 41.11 H new ATOM 0 HB2 GLU A 101 7.465 -4.740 4.439 1.00 24.01 H new ATOM 0 HB3 GLU A 101 7.565 -6.183 3.450 1.00 24.01 H new ATOM 0 HG2 GLU A 101 9.596 -6.904 4.596 1.00 23.21 H new ATOM 0 HG3 GLU A 101 9.685 -5.395 5.483 1.00 23.21 H new ATOM 1620 N VAL A 102 8.070 -2.681 1.820 1.00 41.22 N ATOM 1621 CA VAL A 102 7.179 -1.953 0.909 1.00 73.34 C ATOM 1622 C VAL A 102 7.954 -1.305 -0.252 1.00 24.42 C ATOM 1623 O VAL A 102 8.954 -0.614 -0.044 1.00 11.12 O ATOM 1624 CB VAL A 102 6.383 -0.860 1.666 1.00 42.23 C ATOM 1625 CG1 VAL A 102 5.429 -0.131 0.720 1.00 35.53 C ATOM 1626 CG2 VAL A 102 5.626 -1.466 2.849 1.00 2.22 C ATOM 0 H VAL A 102 8.682 -2.084 2.376 1.00 41.22 H new ATOM 0 HA VAL A 102 6.485 -2.686 0.497 1.00 73.34 H new ATOM 0 HB VAL A 102 7.091 -0.129 2.057 1.00 42.23 H new ATOM 0 HG11 VAL A 102 4.881 0.632 1.273 1.00 35.53 H new ATOM 0 HG12 VAL A 102 6.000 0.341 -0.080 1.00 35.53 H new ATOM 0 HG13 VAL A 102 4.725 -0.845 0.292 1.00 35.53 H new ATOM 0 HG21 VAL A 102 5.074 -0.682 3.367 1.00 2.22 H new ATOM 0 HG22 VAL A 102 4.929 -2.222 2.486 1.00 2.22 H new ATOM 0 HG23 VAL A 102 6.335 -1.926 3.537 1.00 2.22 H new ATOM 1636 N VAL A 103 7.477 -1.529 -1.475 1.00 52.00 N ATOM 1637 CA VAL A 103 8.106 -0.971 -2.678 1.00 2.32 C ATOM 1638 C VAL A 103 7.550 0.423 -3.010 1.00 74.02 C ATOM 1639 O VAL A 103 6.447 0.558 -3.534 1.00 21.02 O ATOM 1640 CB VAL A 103 7.899 -1.914 -3.895 1.00 52.15 C ATOM 1641 CG1 VAL A 103 8.409 -1.277 -5.190 1.00 15.14 C ATOM 1642 CG2 VAL A 103 8.576 -3.264 -3.652 1.00 21.01 C ATOM 0 H VAL A 103 6.651 -2.097 -1.663 1.00 52.00 H new ATOM 0 HA VAL A 103 9.172 -0.878 -2.470 1.00 2.32 H new ATOM 0 HB VAL A 103 6.828 -2.080 -4.008 1.00 52.15 H new ATOM 0 HG11 VAL A 103 8.249 -1.964 -6.021 1.00 15.14 H new ATOM 0 HG12 VAL A 103 7.868 -0.349 -5.377 1.00 15.14 H new ATOM 0 HG13 VAL A 103 9.474 -1.064 -5.096 1.00 15.14 H new ATOM 0 HG21 VAL A 103 8.420 -3.910 -4.516 1.00 21.01 H new ATOM 0 HG22 VAL A 103 9.645 -3.113 -3.501 1.00 21.01 H new ATOM 0 HG23 VAL A 103 8.147 -3.732 -2.766 1.00 21.01 H new ATOM 1652 N PHE A 104 8.315 1.464 -2.707 1.00 20.14 N ATOM 1653 CA PHE A 104 7.896 2.836 -3.018 1.00 15.12 C ATOM 1654 C PHE A 104 8.294 3.225 -4.449 1.00 53.31 C ATOM 1655 O PHE A 104 9.315 2.773 -4.966 1.00 44.24 O ATOM 1656 CB PHE A 104 8.502 3.832 -2.015 1.00 21.23 C ATOM 1657 CG PHE A 104 7.946 3.723 -0.615 1.00 75.34 C ATOM 1658 CD1 PHE A 104 8.316 2.677 0.218 1.00 21.12 C ATOM 1659 CD2 PHE A 104 7.063 4.677 -0.128 1.00 74.22 C ATOM 1660 CE1 PHE A 104 7.819 2.585 1.505 1.00 21.42 C ATOM 1661 CE2 PHE A 104 6.561 4.586 1.156 1.00 55.25 C ATOM 1662 CZ PHE A 104 6.941 3.540 1.974 1.00 4.31 C ATOM 0 H PHE A 104 9.224 1.392 -2.249 1.00 20.14 H new ATOM 0 HA PHE A 104 6.810 2.875 -2.939 1.00 15.12 H new ATOM 0 HB2 PHE A 104 9.581 3.680 -1.977 1.00 21.23 H new ATOM 0 HB3 PHE A 104 8.335 4.845 -2.381 1.00 21.23 H new ATOM 0 HD1 PHE A 104 9.001 1.925 -0.144 1.00 21.12 H new ATOM 0 HD2 PHE A 104 6.765 5.500 -0.760 1.00 74.22 H new ATOM 0 HE1 PHE A 104 8.118 1.766 2.143 1.00 21.42 H new ATOM 0 HE2 PHE A 104 5.871 5.333 1.520 1.00 55.25 H new ATOM 0 HZ PHE A 104 6.551 3.470 2.979 1.00 4.31 H new ATOM 1672 N SER A 105 7.479 4.064 -5.083 1.00 60.33 N ATOM 1673 CA SER A 105 7.738 4.508 -6.461 1.00 45.42 C ATOM 1674 C SER A 105 8.414 5.884 -6.493 1.00 71.54 C ATOM 1675 O SER A 105 7.850 6.877 -6.027 1.00 64.21 O ATOM 1676 CB SER A 105 6.431 4.552 -7.268 1.00 4.35 C ATOM 1677 OG SER A 105 5.831 3.266 -7.353 1.00 20.41 O ATOM 0 H SER A 105 6.632 4.453 -4.669 1.00 60.33 H new ATOM 0 HA SER A 105 8.417 3.785 -6.914 1.00 45.42 H new ATOM 0 HB2 SER A 105 5.736 5.249 -6.800 1.00 4.35 H new ATOM 0 HB3 SER A 105 6.633 4.928 -8.271 1.00 4.35 H new ATOM 0 HG SER A 105 5.001 3.326 -7.870 1.00 20.41 H new