USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 825 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 Single : A 688 GLN :FLIP amide:sc= -0.424 F(o=-4.5!,f=-0.42) USER MOD Single : A 691 TYR OH : rot 17:sc= 0.257 USER MOD Single : A 698 GLN : amide:sc= 0.374 K(o=0.37,f=-0.66) USER MOD Single : A 699 LYS NZ :NH3+ -178:sc= 1.24 (180deg=1.23) USER MOD Single : A 702 MET CE :methyl 148:sc= -3.92 (180deg=-9.73!) USER MOD Single : B 1 MET CE :methyl -168:sc= -0.0241 (180deg=-0.42) USER MOD Single : B 1 MET N :NH3+ 144:sc= -0.0482 (180deg=-0.302) USER MOD Single : B 2 GLN : amide:sc= -0.106 K(o=-0.11,f=-0.91) USER MOD Single : B 6 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0735) USER MOD Single : B 7 THR OG1 : rot 180:sc= 0 USER MOD Single : B 9 THR OG1 : rot 180:sc=-0.00318 USER MOD Single : B 11 LYS NZ :NH3+ 179:sc= 1.04 (180deg=0.978) USER MOD Single : B 12 THR OG1 : rot 180:sc= -0.0766 USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 22 THR OG1 : rot 75:sc= 0.808 USER MOD Single : B 25 ASN : amide:sc= -0.417 X(o=-0.42,f=-0.4) USER MOD Single : B 27 LYS NZ :NH3+ -128:sc= 0.331 (180deg=0) USER MOD Single : B 29 LYS NZ :NH3+ -164:sc= 1.13 (180deg=0.882) USER MOD Single : B 31 GLN : amide:sc= -0.552 K(o=-0.55,f=-1.5) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 GLN : amide:sc= -0.0584 K(o=-0.058,f=-2.8!) USER MOD Single : B 41 GLN : amide:sc= 0.0554 K(o=0.055,f=-4.2!) USER MOD Single : B 48 LYS NZ :NH3+ 177:sc=-0.00245 (180deg=-0.0237) USER MOD Single : B 49 GLN :FLIP amide:sc= -1.78 F(o=-2.3!,f=-1.8) USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD Single : B 57 SER OG : rot 180:sc= 0 USER MOD Single : B 59 TYR OH : rot -40:sc= -2.67 USER MOD Single : B 60 ASN : amide:sc= -0.295 X(o=-0.29,f=-0.52) USER MOD Single : B 62 GLN : amide:sc= 0.952 K(o=0.95,f=-0.17) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 SER OG : rot -130:sc= 0.98 USER MOD Single : B 66 THR OG1 : rot 180:sc= 0 USER MOD Single : B 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 63 N LEU A 679 18.616 -2.642 4.502 1.00 0.00 N ATOM 64 CA LEU A 679 17.297 -3.071 4.108 1.00 0.00 C ATOM 65 C LEU A 679 17.281 -3.428 2.610 1.00 0.00 C ATOM 66 O LEU A 679 18.290 -3.242 1.932 1.00 0.00 O ATOM 67 CB LEU A 679 16.318 -1.957 4.485 1.00 0.00 C ATOM 68 CG LEU A 679 16.613 -1.344 5.864 1.00 0.00 C ATOM 69 CD1 LEU A 679 15.511 -0.356 6.226 1.00 0.00 C ATOM 70 CD2 LEU A 679 16.658 -2.409 6.959 1.00 0.00 C ATOM 0 HA LEU A 679 16.994 -3.980 4.627 1.00 0.00 H new ATOM 0 HB2 LEU A 679 16.358 -1.173 3.728 1.00 0.00 H new ATOM 0 HB3 LEU A 679 15.303 -2.354 4.479 1.00 0.00 H new ATOM 0 HG LEU A 679 17.584 -0.854 5.801 1.00 0.00 H new ATOM 0 HD11 LEU A 679 15.719 0.079 7.203 1.00 0.00 H new ATOM 0 HD12 LEU A 679 15.472 0.435 5.477 1.00 0.00 H new ATOM 0 HD13 LEU A 679 14.553 -0.875 6.256 1.00 0.00 H new ATOM 0 HD21 LEU A 679 16.869 -1.936 7.918 1.00 0.00 H new ATOM 0 HD22 LEU A 679 15.696 -2.919 7.010 1.00 0.00 H new ATOM 0 HD23 LEU A 679 17.441 -3.132 6.731 1.00 0.00 H new ATOM 82 N PRO A 680 16.154 -3.937 2.090 1.00 0.00 N ATOM 83 CA PRO A 680 15.980 -4.426 0.723 1.00 0.00 C ATOM 84 C PRO A 680 16.258 -3.427 -0.404 1.00 0.00 C ATOM 85 O PRO A 680 15.926 -3.699 -1.556 1.00 0.00 O ATOM 86 CB PRO A 680 14.538 -4.934 0.646 1.00 0.00 C ATOM 87 CG PRO A 680 14.178 -5.222 2.103 1.00 0.00 C ATOM 88 CD PRO A 680 14.931 -4.121 2.839 1.00 0.00 C ATOM 0 HA PRO A 680 16.733 -5.195 0.548 1.00 0.00 H new ATOM 0 HB2 PRO A 680 13.874 -4.189 0.209 1.00 0.00 H new ATOM 0 HB3 PRO A 680 14.461 -5.830 0.030 1.00 0.00 H new ATOM 0 HG2 PRO A 680 13.103 -5.167 2.276 1.00 0.00 H new ATOM 0 HG3 PRO A 680 14.501 -6.215 2.414 1.00 0.00 H new ATOM 0 HD2 PRO A 680 14.348 -3.201 2.875 1.00 0.00 H new ATOM 0 HD3 PRO A 680 15.139 -4.407 3.870 1.00 0.00 H new ATOM 96 N PHE A 681 16.856 -2.280 -0.090 1.00 0.00 N ATOM 97 CA PHE A 681 17.219 -1.260 -1.067 1.00 0.00 C ATOM 98 C PHE A 681 18.336 -1.771 -1.984 1.00 0.00 C ATOM 99 O PHE A 681 19.012 -2.745 -1.647 1.00 0.00 O ATOM 100 CB PHE A 681 17.724 -0.020 -0.324 1.00 0.00 C ATOM 101 CG PHE A 681 16.705 0.644 0.575 1.00 0.00 C ATOM 102 CD1 PHE A 681 15.489 1.102 0.052 1.00 0.00 C ATOM 103 CD2 PHE A 681 16.988 0.814 1.938 1.00 0.00 C ATOM 104 CE1 PHE A 681 14.555 1.734 0.888 1.00 0.00 C ATOM 105 CE2 PHE A 681 16.055 1.445 2.773 1.00 0.00 C ATOM 106 CZ PHE A 681 14.840 1.902 2.249 1.00 0.00 C ATOM 0 H PHE A 681 17.105 -2.031 0.867 1.00 0.00 H new ATOM 0 HA PHE A 681 16.343 -1.019 -1.669 1.00 0.00 H new ATOM 0 HB2 PHE A 681 18.588 -0.302 0.277 1.00 0.00 H new ATOM 0 HB3 PHE A 681 18.070 0.709 -1.057 1.00 0.00 H new ATOM 0 HD1 PHE A 681 15.269 0.969 -0.997 1.00 0.00 H new ATOM 0 HD2 PHE A 681 17.924 0.459 2.344 1.00 0.00 H new ATOM 0 HE1 PHE A 681 13.619 2.090 0.483 1.00 0.00 H new ATOM 0 HE2 PHE A 681 16.274 1.579 3.822 1.00 0.00 H new ATOM 0 HZ PHE A 681 14.122 2.385 2.895 1.00 0.00 H new ATOM 116 N PRO A 682 18.546 -1.133 -3.144 1.00 0.00 N ATOM 117 CA PRO A 682 17.726 -0.074 -3.716 1.00 0.00 C ATOM 118 C PRO A 682 16.536 -0.513 -4.590 1.00 0.00 C ATOM 119 O PRO A 682 15.751 0.365 -4.951 1.00 0.00 O ATOM 120 CB PRO A 682 18.711 0.692 -4.599 1.00 0.00 C ATOM 121 CG PRO A 682 19.576 -0.432 -5.173 1.00 0.00 C ATOM 122 CD PRO A 682 19.703 -1.385 -3.987 1.00 0.00 C ATOM 0 HA PRO A 682 17.256 0.479 -2.903 1.00 0.00 H new ATOM 0 HB2 PRO A 682 18.203 1.254 -5.382 1.00 0.00 H new ATOM 0 HB3 PRO A 682 19.301 1.407 -4.025 1.00 0.00 H new ATOM 0 HG2 PRO A 682 19.103 -0.911 -6.030 1.00 0.00 H new ATOM 0 HG3 PRO A 682 20.547 -0.067 -5.507 1.00 0.00 H new ATOM 0 HD2 PRO A 682 19.724 -2.422 -4.321 1.00 0.00 H new ATOM 0 HD3 PRO A 682 20.630 -1.207 -3.441 1.00 0.00 H new ATOM 130 N PRO A 683 16.329 -1.790 -4.967 1.00 0.00 N ATOM 131 CA PRO A 683 15.259 -2.125 -5.895 1.00 0.00 C ATOM 132 C PRO A 683 13.879 -2.101 -5.236 1.00 0.00 C ATOM 133 O PRO A 683 13.754 -2.077 -4.011 1.00 0.00 O ATOM 134 CB PRO A 683 15.585 -3.533 -6.389 1.00 0.00 C ATOM 135 CG PRO A 683 16.256 -4.158 -5.173 1.00 0.00 C ATOM 136 CD PRO A 683 17.061 -2.992 -4.609 1.00 0.00 C ATOM 0 HA PRO A 683 15.209 -1.393 -6.701 1.00 0.00 H new ATOM 0 HB2 PRO A 683 14.688 -4.078 -6.683 1.00 0.00 H new ATOM 0 HB3 PRO A 683 16.247 -3.517 -7.255 1.00 0.00 H new ATOM 0 HG2 PRO A 683 15.527 -4.534 -4.455 1.00 0.00 H new ATOM 0 HG3 PRO A 683 16.895 -4.998 -5.448 1.00 0.00 H new ATOM 0 HD2 PRO A 683 17.166 -3.077 -3.527 1.00 0.00 H new ATOM 0 HD3 PRO A 683 18.068 -2.975 -5.027 1.00 0.00 H new ATOM 144 N ASP A 684 12.851 -2.111 -6.092 1.00 0.00 N ATOM 145 CA ASP A 684 11.425 -2.161 -5.775 1.00 0.00 C ATOM 146 C ASP A 684 10.882 -1.032 -4.890 1.00 0.00 C ATOM 147 O ASP A 684 9.670 -0.819 -4.890 1.00 0.00 O ATOM 148 CB ASP A 684 11.080 -3.534 -5.188 1.00 0.00 C ATOM 149 CG ASP A 684 11.452 -4.666 -6.145 1.00 0.00 C ATOM 150 OD1 ASP A 684 10.877 -4.695 -7.256 1.00 0.00 O ATOM 151 OD2 ASP A 684 12.307 -5.493 -5.756 1.00 0.00 O ATOM 0 H ASP A 684 13.010 -2.082 -7.099 1.00 0.00 H new ATOM 0 HA ASP A 684 10.918 -2.000 -6.726 1.00 0.00 H new ATOM 0 HB2 ASP A 684 11.606 -3.669 -4.243 1.00 0.00 H new ATOM 0 HB3 ASP A 684 10.013 -3.579 -4.968 1.00 0.00 H new ATOM 156 N ILE A 685 11.725 -0.309 -4.145 1.00 0.00 N ATOM 157 CA ILE A 685 11.275 0.784 -3.285 1.00 0.00 C ATOM 158 C ILE A 685 12.376 1.810 -3.059 1.00 0.00 C ATOM 159 O ILE A 685 13.543 1.586 -3.368 1.00 0.00 O ATOM 160 CB ILE A 685 10.788 0.274 -1.912 1.00 0.00 C ATOM 161 CG1 ILE A 685 11.449 -1.022 -1.428 1.00 0.00 C ATOM 162 CG2 ILE A 685 9.273 0.111 -1.916 1.00 0.00 C ATOM 163 CD1 ILE A 685 12.864 -0.743 -0.933 1.00 0.00 C ATOM 0 H ILE A 685 12.733 -0.466 -4.123 1.00 0.00 H new ATOM 0 HA ILE A 685 10.442 1.254 -3.808 1.00 0.00 H new ATOM 0 HB ILE A 685 11.094 1.041 -1.201 1.00 0.00 H new ATOM 0 HG12 ILE A 685 10.857 -1.463 -0.626 1.00 0.00 H new ATOM 0 HG13 ILE A 685 11.477 -1.749 -2.240 1.00 0.00 H new ATOM 0 HG21 ILE A 685 8.943 -0.249 -0.942 1.00 0.00 H new ATOM 0 HG22 ILE A 685 8.804 1.073 -2.125 1.00 0.00 H new ATOM 0 HG23 ILE A 685 8.986 -0.607 -2.684 1.00 0.00 H new ATOM 0 HD11 ILE A 685 13.320 -1.673 -0.593 1.00 0.00 H new ATOM 0 HD12 ILE A 685 13.458 -0.324 -1.745 1.00 0.00 H new ATOM 0 HD13 ILE A 685 12.827 -0.033 -0.107 1.00 0.00 H new ATOM 175 N ASP A 686 11.969 2.950 -2.502 1.00 0.00 N ATOM 176 CA ASP A 686 12.839 4.020 -2.054 1.00 0.00 C ATOM 177 C ASP A 686 12.218 4.574 -0.777 1.00 0.00 C ATOM 178 O ASP A 686 10.997 4.723 -0.707 1.00 0.00 O ATOM 179 CB ASP A 686 12.940 5.103 -3.123 1.00 0.00 C ATOM 180 CG ASP A 686 13.520 4.580 -4.434 1.00 0.00 C ATOM 181 OD1 ASP A 686 14.766 4.508 -4.523 1.00 0.00 O ATOM 182 OD2 ASP A 686 12.714 4.259 -5.336 1.00 0.00 O ATOM 0 H ASP A 686 10.982 3.155 -2.347 1.00 0.00 H new ATOM 0 HA ASP A 686 13.851 3.659 -1.869 1.00 0.00 H new ATOM 0 HB2 ASP A 686 11.950 5.519 -3.308 1.00 0.00 H new ATOM 0 HB3 ASP A 686 13.564 5.917 -2.753 1.00 0.00 H new ATOM 187 N PRO A 687 13.027 4.886 0.241 1.00 0.00 N ATOM 188 CA PRO A 687 12.505 5.287 1.535 1.00 0.00 C ATOM 189 C PRO A 687 11.760 6.614 1.444 1.00 0.00 C ATOM 190 O PRO A 687 10.921 6.929 2.281 1.00 0.00 O ATOM 191 CB PRO A 687 13.719 5.381 2.460 1.00 0.00 C ATOM 192 CG PRO A 687 14.965 5.281 1.578 1.00 0.00 C ATOM 193 CD PRO A 687 14.476 4.853 0.198 1.00 0.00 C ATOM 0 HA PRO A 687 11.777 4.569 1.914 1.00 0.00 H new ATOM 0 HB2 PRO A 687 13.712 6.321 3.011 1.00 0.00 H new ATOM 0 HB3 PRO A 687 13.704 4.579 3.198 1.00 0.00 H new ATOM 0 HG2 PRO A 687 15.484 6.238 1.528 1.00 0.00 H new ATOM 0 HG3 PRO A 687 15.671 4.556 1.983 1.00 0.00 H new ATOM 0 HD2 PRO A 687 14.856 5.524 -0.572 1.00 0.00 H new ATOM 0 HD3 PRO A 687 14.833 3.853 -0.046 1.00 0.00 H new ATOM 201 N GLN A 688 12.077 7.384 0.410 1.00 0.00 N ATOM 202 CA GLN A 688 11.505 8.695 0.136 1.00 0.00 C ATOM 203 C GLN A 688 10.129 8.566 -0.504 1.00 0.00 C ATOM 204 O GLN A 688 9.504 9.579 -0.812 1.00 0.00 O ATOM 205 CB GLN A 688 12.426 9.479 -0.801 1.00 0.00 C ATOM 206 CG GLN A 688 13.077 8.546 -1.825 1.00 0.00 C ATOM 207 CD GLN A 688 14.527 8.262 -1.439 1.00 0.00 C ATOM 208 OE1 GLN A 688 14.766 7.949 -0.165 1.00 0.00 O flip ATOM 209 NE2 GLN A 688 15.423 8.322 -2.274 1.00 0.00 N flip ATOM 0 H GLN A 688 12.766 7.101 -0.287 1.00 0.00 H new ATOM 0 HA GLN A 688 11.403 9.225 1.083 1.00 0.00 H new ATOM 0 HB2 GLN A 688 11.856 10.252 -1.317 1.00 0.00 H new ATOM 0 HB3 GLN A 688 13.197 9.985 -0.221 1.00 0.00 H new ATOM 0 HG2 GLN A 688 12.519 7.611 -1.881 1.00 0.00 H new ATOM 0 HG3 GLN A 688 13.040 9.000 -2.815 1.00 0.00 H new ATOM 0 HE21 GLN A 688 15.204 8.565 -3.240 1.00 0.00 H new ATOM 0 HE22 GLN A 688 16.387 8.129 -2.002 1.00 0.00 H new ATOM 218 N VAL A 689 9.650 7.336 -0.707 1.00 0.00 N ATOM 219 CA VAL A 689 8.376 7.113 -1.356 1.00 0.00 C ATOM 220 C VAL A 689 7.492 6.276 -0.432 1.00 0.00 C ATOM 221 O VAL A 689 6.358 5.955 -0.775 1.00 0.00 O ATOM 222 CB VAL A 689 8.611 6.464 -2.725 1.00 0.00 C ATOM 223 CG1 VAL A 689 7.321 6.472 -3.542 1.00 0.00 C ATOM 224 CG2 VAL A 689 9.643 7.253 -3.535 1.00 0.00 C ATOM 0 H VAL A 689 10.134 6.483 -0.427 1.00 0.00 H new ATOM 0 HA VAL A 689 7.853 8.051 -1.540 1.00 0.00 H new ATOM 0 HB VAL A 689 8.960 5.448 -2.541 1.00 0.00 H new ATOM 0 HG11 VAL A 689 7.502 6.008 -4.512 1.00 0.00 H new ATOM 0 HG12 VAL A 689 6.550 5.914 -3.011 1.00 0.00 H new ATOM 0 HG13 VAL A 689 6.989 7.500 -3.688 1.00 0.00 H new ATOM 0 HG21 VAL A 689 9.792 6.772 -4.502 1.00 0.00 H new ATOM 0 HG22 VAL A 689 9.285 8.271 -3.688 1.00 0.00 H new ATOM 0 HG23 VAL A 689 10.588 7.279 -2.993 1.00 0.00 H new ATOM 234 N PHE A 690 8.006 5.922 0.753 1.00 0.00 N ATOM 235 CA PHE A 690 7.215 5.210 1.741 1.00 0.00 C ATOM 236 C PHE A 690 7.308 5.852 3.127 1.00 0.00 C ATOM 237 O PHE A 690 6.403 5.670 3.934 1.00 0.00 O ATOM 238 CB PHE A 690 7.600 3.726 1.745 1.00 0.00 C ATOM 239 CG PHE A 690 8.700 3.322 2.698 1.00 0.00 C ATOM 240 CD1 PHE A 690 8.431 3.190 4.068 1.00 0.00 C ATOM 241 CD2 PHE A 690 9.982 3.057 2.208 1.00 0.00 C ATOM 242 CE1 PHE A 690 9.450 2.806 4.953 1.00 0.00 C ATOM 243 CE2 PHE A 690 11.001 2.679 3.092 1.00 0.00 C ATOM 244 CZ PHE A 690 10.738 2.564 4.462 1.00 0.00 C ATOM 0 H PHE A 690 8.964 6.120 1.042 1.00 0.00 H new ATOM 0 HA PHE A 690 6.164 5.281 1.461 1.00 0.00 H new ATOM 0 HB2 PHE A 690 6.710 3.143 1.982 1.00 0.00 H new ATOM 0 HB3 PHE A 690 7.903 3.449 0.735 1.00 0.00 H new ATOM 0 HD1 PHE A 690 7.437 3.384 4.443 1.00 0.00 H new ATOM 0 HD2 PHE A 690 10.186 3.143 1.151 1.00 0.00 H new ATOM 0 HE1 PHE A 690 9.241 2.698 6.007 1.00 0.00 H new ATOM 0 HE2 PHE A 690 11.993 2.476 2.715 1.00 0.00 H new ATOM 0 HZ PHE A 690 11.531 2.288 5.142 1.00 0.00 H new ATOM 254 N TYR A 691 8.372 6.602 3.434 1.00 0.00 N ATOM 255 CA TYR A 691 8.423 7.358 4.680 1.00 0.00 C ATOM 256 C TYR A 691 7.402 8.505 4.691 1.00 0.00 C ATOM 257 O TYR A 691 7.238 9.171 5.710 1.00 0.00 O ATOM 258 CB TYR A 691 9.837 7.893 4.933 1.00 0.00 C ATOM 259 CG TYR A 691 10.856 6.857 5.378 1.00 0.00 C ATOM 260 CD1 TYR A 691 10.457 5.781 6.192 1.00 0.00 C ATOM 261 CD2 TYR A 691 12.203 6.980 4.993 1.00 0.00 C ATOM 262 CE1 TYR A 691 11.400 4.854 6.645 1.00 0.00 C ATOM 263 CE2 TYR A 691 13.152 6.058 5.464 1.00 0.00 C ATOM 264 CZ TYR A 691 12.755 4.990 6.289 1.00 0.00 C ATOM 265 OH TYR A 691 13.678 4.097 6.743 1.00 0.00 O ATOM 0 H TYR A 691 9.197 6.698 2.842 1.00 0.00 H new ATOM 0 HA TYR A 691 8.160 6.675 5.487 1.00 0.00 H new ATOM 0 HB2 TYR A 691 10.198 8.364 4.019 1.00 0.00 H new ATOM 0 HB3 TYR A 691 9.782 8.673 5.692 1.00 0.00 H new ATOM 0 HD1 TYR A 691 9.419 5.671 6.468 1.00 0.00 H new ATOM 0 HD2 TYR A 691 12.507 7.782 4.336 1.00 0.00 H new ATOM 0 HE1 TYR A 691 11.088 4.031 7.270 1.00 0.00 H new ATOM 0 HE2 TYR A 691 14.191 6.169 5.192 1.00 0.00 H new ATOM 0 HH TYR A 691 13.222 3.293 7.069 1.00 0.00 H new ATOM 275 N GLU A 692 6.711 8.742 3.568 1.00 0.00 N ATOM 276 CA GLU A 692 5.658 9.751 3.486 1.00 0.00 C ATOM 277 C GLU A 692 4.398 9.301 4.231 1.00 0.00 C ATOM 278 O GLU A 692 3.506 10.106 4.503 1.00 0.00 O ATOM 279 CB GLU A 692 5.319 10.014 2.013 1.00 0.00 C ATOM 280 CG GLU A 692 6.540 10.532 1.250 1.00 0.00 C ATOM 281 CD GLU A 692 6.168 10.897 -0.186 1.00 0.00 C ATOM 282 OE1 GLU A 692 5.859 9.965 -0.963 1.00 0.00 O ATOM 283 OE2 GLU A 692 6.191 12.109 -0.501 1.00 0.00 O ATOM 0 H GLU A 692 6.869 8.238 2.695 1.00 0.00 H new ATOM 0 HA GLU A 692 6.021 10.665 3.955 1.00 0.00 H new ATOM 0 HB2 GLU A 692 4.960 9.095 1.550 1.00 0.00 H new ATOM 0 HB3 GLU A 692 4.510 10.741 1.947 1.00 0.00 H new ATOM 0 HG2 GLU A 692 6.948 11.406 1.758 1.00 0.00 H new ATOM 0 HG3 GLU A 692 7.321 9.772 1.246 1.00 0.00 H new ATOM 290 N LEU A 693 4.332 8.008 4.561 1.00 0.00 N ATOM 291 CA LEU A 693 3.269 7.381 5.322 1.00 0.00 C ATOM 292 C LEU A 693 3.303 7.838 6.779 1.00 0.00 C ATOM 293 O LEU A 693 4.240 8.516 7.202 1.00 0.00 O ATOM 294 CB LEU A 693 3.575 5.878 5.329 1.00 0.00 C ATOM 295 CG LEU A 693 3.441 5.186 3.978 1.00 0.00 C ATOM 296 CD1 LEU A 693 4.017 3.780 4.136 1.00 0.00 C ATOM 297 CD2 LEU A 693 1.983 5.099 3.539 1.00 0.00 C ATOM 0 H LEU A 693 5.058 7.346 4.287 1.00 0.00 H new ATOM 0 HA LEU A 693 2.303 7.632 4.883 1.00 0.00 H new ATOM 0 HB2 LEU A 693 4.591 5.731 5.696 1.00 0.00 H new ATOM 0 HB3 LEU A 693 2.906 5.390 6.038 1.00 0.00 H new ATOM 0 HG LEU A 693 3.974 5.754 3.216 1.00 0.00 H new ATOM 0 HD11 LEU A 693 3.941 3.247 3.188 1.00 0.00 H new ATOM 0 HD12 LEU A 693 5.064 3.847 4.432 1.00 0.00 H new ATOM 0 HD13 LEU A 693 3.458 3.242 4.901 1.00 0.00 H new ATOM 0 HD21 LEU A 693 1.923 4.600 2.572 1.00 0.00 H new ATOM 0 HD22 LEU A 693 1.414 4.531 4.276 1.00 0.00 H new ATOM 0 HD23 LEU A 693 1.568 6.103 3.455 1.00 0.00 H new ATOM 309 N PRO A 694 2.288 7.467 7.560 1.00 0.00 N ATOM 310 CA PRO A 694 2.339 7.521 9.010 1.00 0.00 C ATOM 311 C PRO A 694 3.182 6.327 9.449 1.00 0.00 C ATOM 312 O PRO A 694 3.305 5.352 8.708 1.00 0.00 O ATOM 313 CB PRO A 694 0.882 7.400 9.455 1.00 0.00 C ATOM 314 CG PRO A 694 0.234 6.571 8.345 1.00 0.00 C ATOM 315 CD PRO A 694 1.019 6.948 7.088 1.00 0.00 C ATOM 0 HA PRO A 694 2.778 8.425 9.432 1.00 0.00 H new ATOM 0 HB2 PRO A 694 0.798 6.908 10.424 1.00 0.00 H new ATOM 0 HB3 PRO A 694 0.410 8.378 9.553 1.00 0.00 H new ATOM 0 HG2 PRO A 694 0.304 5.503 8.553 1.00 0.00 H new ATOM 0 HG3 PRO A 694 -0.825 6.806 8.239 1.00 0.00 H new ATOM 0 HD2 PRO A 694 1.166 6.081 6.443 1.00 0.00 H new ATOM 0 HD3 PRO A 694 0.484 7.695 6.501 1.00 0.00 H new ATOM 323 N GLU A 695 3.770 6.383 10.644 1.00 0.00 N ATOM 324 CA GLU A 695 4.613 5.354 11.177 1.00 0.00 C ATOM 325 C GLU A 695 3.940 4.014 11.001 1.00 0.00 C ATOM 326 O GLU A 695 4.562 3.048 10.600 1.00 0.00 O ATOM 327 CB GLU A 695 4.734 5.673 12.659 1.00 0.00 C ATOM 328 CG GLU A 695 6.000 5.055 13.204 1.00 0.00 C ATOM 329 CD GLU A 695 6.038 5.092 14.729 1.00 0.00 C ATOM 330 OE1 GLU A 695 5.191 4.407 15.344 1.00 0.00 O ATOM 331 OE2 GLU A 695 6.915 5.802 15.270 1.00 0.00 O ATOM 0 H GLU A 695 3.659 7.177 11.274 1.00 0.00 H new ATOM 0 HA GLU A 695 5.584 5.313 10.683 1.00 0.00 H new ATOM 0 HB2 GLU A 695 4.749 6.752 12.810 1.00 0.00 H new ATOM 0 HB3 GLU A 695 3.868 5.288 13.197 1.00 0.00 H new ATOM 0 HG2 GLU A 695 6.076 4.022 12.864 1.00 0.00 H new ATOM 0 HG3 GLU A 695 6.864 5.586 12.806 1.00 0.00 H new ATOM 338 N GLU A 696 2.650 3.999 11.307 1.00 0.00 N ATOM 339 CA GLU A 696 1.750 2.878 11.287 1.00 0.00 C ATOM 340 C GLU A 696 1.860 2.009 10.034 1.00 0.00 C ATOM 341 O GLU A 696 1.385 0.877 10.043 1.00 0.00 O ATOM 342 CB GLU A 696 0.334 3.437 11.478 1.00 0.00 C ATOM 343 CG GLU A 696 -0.728 2.357 11.316 1.00 0.00 C ATOM 344 CD GLU A 696 -2.107 2.888 11.698 1.00 0.00 C ATOM 345 OE1 GLU A 696 -2.738 3.543 10.838 1.00 0.00 O ATOM 346 OE2 GLU A 696 -2.523 2.632 12.851 1.00 0.00 O ATOM 0 H GLU A 696 2.175 4.853 11.600 1.00 0.00 H new ATOM 0 HA GLU A 696 2.017 2.196 12.094 1.00 0.00 H new ATOM 0 HB2 GLU A 696 0.250 3.883 12.469 1.00 0.00 H new ATOM 0 HB3 GLU A 696 0.157 4.232 10.754 1.00 0.00 H new ATOM 0 HG2 GLU A 696 -0.742 2.007 10.284 1.00 0.00 H new ATOM 0 HG3 GLU A 696 -0.478 1.499 11.940 1.00 0.00 H new ATOM 353 N VAL A 697 2.481 2.511 8.962 1.00 0.00 N ATOM 354 CA VAL A 697 2.660 1.717 7.759 1.00 0.00 C ATOM 355 C VAL A 697 4.103 1.789 7.263 1.00 0.00 C ATOM 356 O VAL A 697 4.540 0.895 6.541 1.00 0.00 O ATOM 357 CB VAL A 697 1.652 2.141 6.687 1.00 0.00 C ATOM 358 CG1 VAL A 697 1.677 1.164 5.515 1.00 0.00 C ATOM 359 CG2 VAL A 697 0.227 2.151 7.240 1.00 0.00 C ATOM 0 H VAL A 697 2.862 3.456 8.910 1.00 0.00 H new ATOM 0 HA VAL A 697 2.464 0.671 7.995 1.00 0.00 H new ATOM 0 HB VAL A 697 1.935 3.143 6.364 1.00 0.00 H new ATOM 0 HG11 VAL A 697 0.955 1.480 4.762 1.00 0.00 H new ATOM 0 HG12 VAL A 697 2.675 1.148 5.076 1.00 0.00 H new ATOM 0 HG13 VAL A 697 1.419 0.165 5.868 1.00 0.00 H new ATOM 0 HG21 VAL A 697 -0.466 2.456 6.456 1.00 0.00 H new ATOM 0 HG22 VAL A 697 -0.035 1.152 7.587 1.00 0.00 H new ATOM 0 HG23 VAL A 697 0.165 2.852 8.072 1.00 0.00 H new ATOM 369 N GLN A 698 4.865 2.828 7.633 1.00 0.00 N ATOM 370 CA GLN A 698 6.298 2.813 7.363 1.00 0.00 C ATOM 371 C GLN A 698 6.918 1.686 8.182 1.00 0.00 C ATOM 372 O GLN A 698 7.807 0.977 7.723 1.00 0.00 O ATOM 373 CB GLN A 698 6.976 4.083 7.869 1.00 0.00 C ATOM 374 CG GLN A 698 6.420 5.410 7.384 1.00 0.00 C ATOM 375 CD GLN A 698 7.051 6.530 8.199 1.00 0.00 C ATOM 376 OE1 GLN A 698 8.253 6.531 8.450 1.00 0.00 O ATOM 377 NE2 GLN A 698 6.246 7.493 8.628 1.00 0.00 N ATOM 0 H GLN A 698 4.521 3.664 8.106 1.00 0.00 H new ATOM 0 HA GLN A 698 6.433 2.707 6.287 1.00 0.00 H new ATOM 0 HB2 GLN A 698 6.933 4.077 8.958 1.00 0.00 H new ATOM 0 HB3 GLN A 698 8.029 4.037 7.591 1.00 0.00 H new ATOM 0 HG2 GLN A 698 6.636 5.546 6.324 1.00 0.00 H new ATOM 0 HG3 GLN A 698 5.336 5.428 7.493 1.00 0.00 H new ATOM 0 HE21 GLN A 698 5.252 7.464 8.403 1.00 0.00 H new ATOM 0 HE22 GLN A 698 6.621 8.262 9.183 1.00 0.00 H new ATOM 386 N LYS A 699 6.418 1.544 9.414 1.00 0.00 N ATOM 387 CA LYS A 699 6.973 0.687 10.442 1.00 0.00 C ATOM 388 C LYS A 699 6.584 -0.769 10.205 1.00 0.00 C ATOM 389 O LYS A 699 7.277 -1.686 10.642 1.00 0.00 O ATOM 390 CB LYS A 699 6.535 1.245 11.808 1.00 0.00 C ATOM 391 CG LYS A 699 5.167 0.794 12.328 1.00 0.00 C ATOM 392 CD LYS A 699 5.019 1.414 13.718 1.00 0.00 C ATOM 393 CE LYS A 699 3.586 1.836 14.009 1.00 0.00 C ATOM 394 NZ LYS A 699 3.438 2.265 15.414 1.00 0.00 N ATOM 0 H LYS A 699 5.585 2.045 9.724 1.00 0.00 H new ATOM 0 HA LYS A 699 8.063 0.687 10.415 1.00 0.00 H new ATOM 0 HB2 LYS A 699 7.288 0.968 12.546 1.00 0.00 H new ATOM 0 HB3 LYS A 699 6.534 2.333 11.747 1.00 0.00 H new ATOM 0 HG2 LYS A 699 4.368 1.127 11.665 1.00 0.00 H new ATOM 0 HG3 LYS A 699 5.107 -0.293 12.377 1.00 0.00 H new ATOM 0 HD2 LYS A 699 5.345 0.696 14.471 1.00 0.00 H new ATOM 0 HD3 LYS A 699 5.675 2.281 13.799 1.00 0.00 H new ATOM 0 HE2 LYS A 699 3.300 2.651 13.344 1.00 0.00 H new ATOM 0 HE3 LYS A 699 2.910 1.006 13.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 699 2.446 2.516 15.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 699 3.722 1.489 16.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 699 4.042 3.093 15.590 1.00 0.00 H new ATOM 408 N GLU A 700 5.472 -0.974 9.500 1.00 0.00 N ATOM 409 CA GLU A 700 5.060 -2.308 9.107 1.00 0.00 C ATOM 410 C GLU A 700 5.983 -2.752 7.983 1.00 0.00 C ATOM 411 O GLU A 700 6.342 -3.923 7.893 1.00 0.00 O ATOM 412 CB GLU A 700 3.614 -2.282 8.614 1.00 0.00 C ATOM 413 CG GLU A 700 2.646 -2.096 9.780 1.00 0.00 C ATOM 414 CD GLU A 700 1.189 -2.176 9.319 1.00 0.00 C ATOM 415 OE1 GLU A 700 0.913 -1.787 8.162 1.00 0.00 O ATOM 416 OE2 GLU A 700 0.359 -2.634 10.138 1.00 0.00 O ATOM 0 H GLU A 700 4.845 -0.230 9.193 1.00 0.00 H new ATOM 0 HA GLU A 700 5.119 -2.996 9.951 1.00 0.00 H new ATOM 0 HB2 GLU A 700 3.485 -1.472 7.896 1.00 0.00 H new ATOM 0 HB3 GLU A 700 3.387 -3.211 8.092 1.00 0.00 H new ATOM 0 HG2 GLU A 700 2.832 -2.861 10.534 1.00 0.00 H new ATOM 0 HG3 GLU A 700 2.826 -1.131 10.253 1.00 0.00 H new ATOM 423 N LEU A 701 6.369 -1.802 7.129 1.00 0.00 N ATOM 424 CA LEU A 701 7.336 -2.025 6.071 1.00 0.00 C ATOM 425 C LEU A 701 8.709 -2.296 6.692 1.00 0.00 C ATOM 426 O LEU A 701 9.437 -3.171 6.230 1.00 0.00 O ATOM 427 CB LEU A 701 7.364 -0.773 5.188 1.00 0.00 C ATOM 428 CG LEU A 701 6.816 -1.031 3.780 1.00 0.00 C ATOM 429 CD1 LEU A 701 5.334 -1.398 3.843 1.00 0.00 C ATOM 430 CD2 LEU A 701 6.961 0.230 2.932 1.00 0.00 C ATOM 0 H LEU A 701 6.010 -0.848 7.159 1.00 0.00 H new ATOM 0 HA LEU A 701 7.066 -2.889 5.463 1.00 0.00 H new ATOM 0 HB2 LEU A 701 6.779 0.015 5.663 1.00 0.00 H new ATOM 0 HB3 LEU A 701 8.389 -0.408 5.114 1.00 0.00 H new ATOM 0 HG LEU A 701 7.380 -1.853 3.339 1.00 0.00 H new ATOM 0 HD11 LEU A 701 4.961 -1.578 2.835 1.00 0.00 H new ATOM 0 HD12 LEU A 701 5.208 -2.299 4.443 1.00 0.00 H new ATOM 0 HD13 LEU A 701 4.775 -0.579 4.296 1.00 0.00 H new ATOM 0 HD21 LEU A 701 6.570 0.043 1.932 1.00 0.00 H new ATOM 0 HD22 LEU A 701 6.403 1.045 3.393 1.00 0.00 H new ATOM 0 HD23 LEU A 701 8.014 0.504 2.865 1.00 0.00 H new ATOM 442 N MET A 702 9.064 -1.549 7.745 1.00 0.00 N ATOM 443 CA MET A 702 10.326 -1.732 8.449 1.00 0.00 C ATOM 444 C MET A 702 10.335 -3.017 9.278 1.00 0.00 C ATOM 445 O MET A 702 11.384 -3.387 9.796 1.00 0.00 O ATOM 446 CB MET A 702 10.585 -0.555 9.392 1.00 0.00 C ATOM 447 CG MET A 702 10.809 0.781 8.676 1.00 0.00 C ATOM 448 SD MET A 702 12.450 1.038 7.950 1.00 0.00 S ATOM 449 CE MET A 702 12.252 0.159 6.378 1.00 0.00 C ATOM 0 H MET A 702 8.481 -0.804 8.127 1.00 0.00 H new ATOM 0 HA MET A 702 11.105 -1.793 7.689 1.00 0.00 H new ATOM 0 HB2 MET A 702 9.738 -0.454 10.071 1.00 0.00 H new ATOM 0 HB3 MET A 702 11.459 -0.779 10.004 1.00 0.00 H new ATOM 0 HG2 MET A 702 10.066 0.873 7.884 1.00 0.00 H new ATOM 0 HG3 MET A 702 10.619 1.586 9.386 1.00 0.00 H new ATOM 0 HE1 MET A 702 12.856 0.644 5.611 1.00 0.00 H new ATOM 0 HE2 MET A 702 12.577 -0.875 6.496 1.00 0.00 H new ATOM 0 HE3 MET A 702 11.204 0.178 6.080 1.00 0.00 H new ATOM 459 N ALA A 703 9.194 -3.704 9.414 1.00 0.00 N ATOM 460 CA ALA A 703 9.138 -4.966 10.140 1.00 0.00 C ATOM 461 C ALA A 703 8.946 -6.128 9.169 1.00 0.00 C ATOM 462 O ALA A 703 9.179 -7.284 9.517 1.00 0.00 O ATOM 463 CB ALA A 703 7.962 -4.924 11.111 1.00 0.00 C ATOM 0 H ALA A 703 8.300 -3.402 9.028 1.00 0.00 H new ATOM 0 HA ALA A 703 10.072 -5.110 10.682 1.00 0.00 H new ATOM 0 HB1 ALA A 703 7.910 -5.864 11.660 1.00 0.00 H new ATOM 0 HB2 ALA A 703 8.098 -4.101 11.812 1.00 0.00 H new ATOM 0 HB3 ALA A 703 7.036 -4.777 10.555 1.00 0.00 H new ATOM 469 N GLU A 704 8.518 -5.815 7.948 1.00 0.00 N ATOM 470 CA GLU A 704 8.198 -6.776 6.934 1.00 0.00 C ATOM 471 C GLU A 704 9.464 -7.125 6.165 1.00 0.00 C ATOM 472 O GLU A 704 9.565 -8.189 5.561 1.00 0.00 O ATOM 473 CB GLU A 704 7.165 -6.101 6.038 1.00 0.00 C ATOM 474 CG GLU A 704 6.940 -7.003 4.854 1.00 0.00 C ATOM 475 CD GLU A 704 5.652 -6.658 4.115 1.00 0.00 C ATOM 476 OE1 GLU A 704 5.667 -5.650 3.375 1.00 0.00 O ATOM 477 OE2 GLU A 704 4.668 -7.408 4.301 1.00 0.00 O ATOM 0 H GLU A 704 8.385 -4.851 7.643 1.00 0.00 H new ATOM 0 HA GLU A 704 7.800 -7.706 7.340 1.00 0.00 H new ATOM 0 HB2 GLU A 704 6.233 -5.939 6.580 1.00 0.00 H new ATOM 0 HB3 GLU A 704 7.519 -5.122 5.714 1.00 0.00 H new ATOM 0 HG2 GLU A 704 7.784 -6.922 4.170 1.00 0.00 H new ATOM 0 HG3 GLU A 704 6.900 -8.039 5.189 1.00 0.00 H new ATOM 484 N TRP A 705 10.434 -6.209 6.196 1.00 0.00 N ATOM 485 CA TRP A 705 11.690 -6.350 5.488 1.00 0.00 C ATOM 486 C TRP A 705 12.686 -7.045 6.393 1.00 0.00 C ATOM 487 O TRP A 705 13.600 -7.721 5.933 1.00 0.00 O ATOM 488 CB TRP A 705 12.164 -4.948 5.136 1.00 0.00 C ATOM 489 CG TRP A 705 11.343 -4.259 4.098 1.00 0.00 C ATOM 490 CD1 TRP A 705 10.306 -4.794 3.418 1.00 0.00 C ATOM 491 CD2 TRP A 705 11.474 -2.894 3.600 1.00 0.00 C ATOM 492 NE1 TRP A 705 9.791 -3.865 2.542 1.00 0.00 N ATOM 493 CE2 TRP A 705 10.472 -2.669 2.613 1.00 0.00 C ATOM 494 CE3 TRP A 705 12.348 -1.832 3.880 1.00 0.00 C ATOM 495 CZ2 TRP A 705 10.338 -1.447 1.947 1.00 0.00 C ATOM 496 CZ3 TRP A 705 12.239 -0.610 3.199 1.00 0.00 C ATOM 497 CH2 TRP A 705 11.241 -0.415 2.234 1.00 0.00 C ATOM 0 H TRP A 705 10.360 -5.339 6.724 1.00 0.00 H new ATOM 0 HA TRP A 705 11.582 -6.944 4.581 1.00 0.00 H new ATOM 0 HB2 TRP A 705 12.166 -4.341 6.041 1.00 0.00 H new ATOM 0 HB3 TRP A 705 13.195 -5.004 4.787 1.00 0.00 H new ATOM 0 HD1 TRP A 705 9.936 -5.801 3.543 1.00 0.00 H new ATOM 0 HE1 TRP A 705 9.003 -4.040 1.918 1.00 0.00 H new ATOM 0 HE3 TRP A 705 13.115 -1.957 4.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 705 9.551 -1.301 1.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 705 12.931 0.189 3.421 1.00 0.00 H new ATOM 0 HH2 TRP A 705 11.168 0.528 1.713 1.00 0.00 H new ATOM 575 N MET B 1 -11.752 12.049 -16.587 1.00 0.00 N ATOM 576 CA MET B 1 -11.535 11.953 -15.127 1.00 0.00 C ATOM 577 C MET B 1 -10.647 10.761 -14.799 1.00 0.00 C ATOM 578 O MET B 1 -10.921 9.664 -15.273 1.00 0.00 O ATOM 579 CB MET B 1 -12.873 11.851 -14.389 1.00 0.00 C ATOM 580 CG MET B 1 -13.628 10.559 -14.714 1.00 0.00 C ATOM 581 SD MET B 1 -15.337 10.553 -14.106 1.00 0.00 S ATOM 582 CE MET B 1 -15.055 10.830 -12.338 1.00 0.00 C ATOM 0 H1 MET B 1 -12.720 12.381 -16.773 1.00 0.00 H new ATOM 0 H2 MET B 1 -11.071 12.721 -16.996 1.00 0.00 H new ATOM 0 H3 MET B 1 -11.617 11.113 -17.020 1.00 0.00 H new ATOM 0 HA MET B 1 -11.030 12.859 -14.792 1.00 0.00 H new ATOM 0 HB2 MET B 1 -12.696 11.904 -13.315 1.00 0.00 H new ATOM 0 HB3 MET B 1 -13.495 12.707 -14.652 1.00 0.00 H new ATOM 0 HG2 MET B 1 -13.634 10.412 -15.794 1.00 0.00 H new ATOM 0 HG3 MET B 1 -13.092 9.715 -14.280 1.00 0.00 H new ATOM 0 HE1 MET B 1 -15.978 10.643 -11.789 1.00 0.00 H new ATOM 0 HE2 MET B 1 -14.278 10.153 -11.983 1.00 0.00 H new ATOM 0 HE3 MET B 1 -14.739 11.861 -12.177 1.00 0.00 H new ATOM 594 N GLN B 2 -9.590 10.957 -14.002 1.00 0.00 N ATOM 595 CA GLN B 2 -8.644 9.886 -13.702 1.00 0.00 C ATOM 596 C GLN B 2 -7.643 10.271 -12.618 1.00 0.00 C ATOM 597 O GLN B 2 -6.792 11.136 -12.821 1.00 0.00 O ATOM 598 CB GLN B 2 -7.902 9.503 -14.978 1.00 0.00 C ATOM 599 CG GLN B 2 -7.544 10.726 -15.823 1.00 0.00 C ATOM 600 CD GLN B 2 -6.557 10.426 -16.944 1.00 0.00 C ATOM 601 OE1 GLN B 2 -5.619 11.188 -17.170 1.00 0.00 O ATOM 602 NE2 GLN B 2 -6.744 9.324 -17.663 1.00 0.00 N ATOM 0 H GLN B 2 -9.372 11.848 -13.556 1.00 0.00 H new ATOM 0 HA GLN B 2 -9.215 9.039 -13.320 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -6.992 8.962 -14.719 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -8.519 8.824 -15.566 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -8.456 11.139 -16.254 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -7.122 11.494 -15.175 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -7.530 8.707 -17.456 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -6.102 9.095 -18.422 1.00 0.00 H new ATOM 611 N ILE B 3 -7.753 9.621 -11.459 1.00 0.00 N ATOM 612 CA ILE B 3 -7.007 10.015 -10.267 1.00 0.00 C ATOM 613 C ILE B 3 -5.555 9.562 -10.348 1.00 0.00 C ATOM 614 O ILE B 3 -5.231 8.602 -11.043 1.00 0.00 O ATOM 615 CB ILE B 3 -7.688 9.546 -8.971 1.00 0.00 C ATOM 616 CG1 ILE B 3 -7.562 8.043 -8.679 1.00 0.00 C ATOM 617 CG2 ILE B 3 -9.157 9.973 -8.974 1.00 0.00 C ATOM 618 CD1 ILE B 3 -8.125 7.150 -9.779 1.00 0.00 C ATOM 0 H ILE B 3 -8.358 8.812 -11.322 1.00 0.00 H new ATOM 0 HA ILE B 3 -7.006 11.105 -10.234 1.00 0.00 H new ATOM 0 HB ILE B 3 -7.149 10.034 -8.159 1.00 0.00 H new ATOM 0 HG12 ILE B 3 -6.510 7.799 -8.529 1.00 0.00 H new ATOM 0 HG13 ILE B 3 -8.077 7.820 -7.745 1.00 0.00 H new ATOM 0 HG21 ILE B 3 -9.635 9.638 -8.053 1.00 0.00 H new ATOM 0 HG22 ILE B 3 -9.220 11.059 -9.041 1.00 0.00 H new ATOM 0 HG23 ILE B 3 -9.664 9.526 -9.829 1.00 0.00 H new ATOM 0 HD11 ILE B 3 -7.999 6.104 -9.499 1.00 0.00 H new ATOM 0 HD12 ILE B 3 -9.185 7.364 -9.914 1.00 0.00 H new ATOM 0 HD13 ILE B 3 -7.594 7.343 -10.711 1.00 0.00 H new ATOM 630 N PHE B 4 -4.692 10.273 -9.625 1.00 0.00 N ATOM 631 CA PHE B 4 -3.248 10.114 -9.705 1.00 0.00 C ATOM 632 C PHE B 4 -2.772 9.290 -8.516 1.00 0.00 C ATOM 633 O PHE B 4 -2.495 9.819 -7.442 1.00 0.00 O ATOM 634 CB PHE B 4 -2.582 11.488 -9.702 1.00 0.00 C ATOM 635 CG PHE B 4 -2.707 12.296 -10.983 1.00 0.00 C ATOM 636 CD1 PHE B 4 -3.879 12.260 -11.756 1.00 0.00 C ATOM 637 CD2 PHE B 4 -1.634 13.095 -11.405 1.00 0.00 C ATOM 638 CE1 PHE B 4 -3.966 12.978 -12.955 1.00 0.00 C ATOM 639 CE2 PHE B 4 -1.723 13.828 -12.596 1.00 0.00 C ATOM 640 CZ PHE B 4 -2.887 13.764 -13.378 1.00 0.00 C ATOM 0 H PHE B 4 -4.985 10.986 -8.957 1.00 0.00 H new ATOM 0 HA PHE B 4 -2.980 9.599 -10.627 1.00 0.00 H new ATOM 0 HB2 PHE B 4 -3.006 12.073 -8.885 1.00 0.00 H new ATOM 0 HB3 PHE B 4 -1.523 11.355 -9.483 1.00 0.00 H new ATOM 0 HD1 PHE B 4 -4.722 11.673 -11.422 1.00 0.00 H new ATOM 0 HD2 PHE B 4 -0.735 13.145 -10.809 1.00 0.00 H new ATOM 0 HE1 PHE B 4 -4.864 12.926 -13.553 1.00 0.00 H new ATOM 0 HE2 PHE B 4 -0.894 14.444 -12.913 1.00 0.00 H new ATOM 0 HZ PHE B 4 -2.950 14.319 -14.302 1.00 0.00 H new ATOM 650 N VAL B 5 -2.676 7.980 -8.713 1.00 0.00 N ATOM 651 CA VAL B 5 -2.254 7.060 -7.670 1.00 0.00 C ATOM 652 C VAL B 5 -0.737 6.900 -7.693 1.00 0.00 C ATOM 653 O VAL B 5 -0.192 6.196 -8.542 1.00 0.00 O ATOM 654 CB VAL B 5 -2.943 5.704 -7.846 1.00 0.00 C ATOM 655 CG1 VAL B 5 -2.592 4.795 -6.668 1.00 0.00 C ATOM 656 CG2 VAL B 5 -4.461 5.873 -7.901 1.00 0.00 C ATOM 0 H VAL B 5 -2.889 7.528 -9.602 1.00 0.00 H new ATOM 0 HA VAL B 5 -2.544 7.468 -6.702 1.00 0.00 H new ATOM 0 HB VAL B 5 -2.598 5.262 -8.781 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -3.083 3.830 -6.794 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -1.512 4.651 -6.629 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -2.930 5.255 -5.740 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -4.931 4.898 -8.026 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -4.810 6.328 -6.974 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -4.725 6.514 -8.742 1.00 0.00 H new ATOM 666 N LYS B 6 -0.052 7.553 -6.754 1.00 0.00 N ATOM 667 CA LYS B 6 1.393 7.455 -6.612 1.00 0.00 C ATOM 668 C LYS B 6 1.745 6.059 -6.111 1.00 0.00 C ATOM 669 O LYS B 6 1.104 5.534 -5.205 1.00 0.00 O ATOM 670 CB LYS B 6 1.833 8.540 -5.623 1.00 0.00 C ATOM 671 CG LYS B 6 3.294 8.377 -5.192 1.00 0.00 C ATOM 672 CD LYS B 6 4.310 8.672 -6.290 1.00 0.00 C ATOM 673 CE LYS B 6 4.182 10.094 -6.832 1.00 0.00 C ATOM 674 NZ LYS B 6 4.464 11.103 -5.793 1.00 0.00 N ATOM 0 H LYS B 6 -0.491 8.168 -6.068 1.00 0.00 H new ATOM 0 HA LYS B 6 1.907 7.607 -7.561 1.00 0.00 H new ATOM 0 HB2 LYS B 6 1.699 9.521 -6.080 1.00 0.00 H new ATOM 0 HB3 LYS B 6 1.191 8.508 -4.743 1.00 0.00 H new ATOM 0 HG2 LYS B 6 3.487 9.039 -4.348 1.00 0.00 H new ATOM 0 HG3 LYS B 6 3.445 7.357 -4.839 1.00 0.00 H new ATOM 0 HD2 LYS B 6 5.317 8.524 -5.900 1.00 0.00 H new ATOM 0 HD3 LYS B 6 4.177 7.961 -7.106 1.00 0.00 H new ATOM 0 HE2 LYS B 6 4.871 10.229 -7.666 1.00 0.00 H new ATOM 0 HE3 LYS B 6 3.176 10.245 -7.222 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 4.467 12.051 -6.221 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 3.730 11.058 -5.057 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 5.394 10.912 -5.367 1.00 0.00 H new ATOM 688 N THR B 7 2.777 5.472 -6.717 1.00 0.00 N ATOM 689 CA THR B 7 3.289 4.155 -6.358 1.00 0.00 C ATOM 690 C THR B 7 4.576 4.298 -5.549 1.00 0.00 C ATOM 691 O THR B 7 5.163 5.376 -5.487 1.00 0.00 O ATOM 692 CB THR B 7 3.505 3.337 -7.638 1.00 0.00 C ATOM 693 OG1 THR B 7 3.532 1.968 -7.309 1.00 0.00 O ATOM 694 CG2 THR B 7 4.821 3.707 -8.304 1.00 0.00 C ATOM 0 H THR B 7 3.288 5.908 -7.484 1.00 0.00 H new ATOM 0 HA THR B 7 2.570 3.627 -5.732 1.00 0.00 H new ATOM 0 HB THR B 7 2.689 3.552 -8.329 1.00 0.00 H new ATOM 0 HG1 THR B 7 3.668 1.439 -8.122 1.00 0.00 H new ATOM 0 HG21 THR B 7 4.950 3.113 -9.209 1.00 0.00 H new ATOM 0 HG22 THR B 7 4.813 4.766 -8.563 1.00 0.00 H new ATOM 0 HG23 THR B 7 5.645 3.507 -7.618 1.00 0.00 H new ATOM 702 N LEU B 8 5.007 3.196 -4.930 1.00 0.00 N ATOM 703 CA LEU B 8 6.165 3.114 -4.043 1.00 0.00 C ATOM 704 C LEU B 8 7.512 3.351 -4.741 1.00 0.00 C ATOM 705 O LEU B 8 8.552 3.012 -4.176 1.00 0.00 O ATOM 706 CB LEU B 8 6.143 1.733 -3.382 1.00 0.00 C ATOM 707 CG LEU B 8 4.998 1.565 -2.377 1.00 0.00 C ATOM 708 CD1 LEU B 8 5.148 0.199 -1.715 1.00 0.00 C ATOM 709 CD2 LEU B 8 5.038 2.645 -1.294 1.00 0.00 C ATOM 0 H LEU B 8 4.536 2.298 -5.040 1.00 0.00 H new ATOM 0 HA LEU B 8 6.083 3.917 -3.311 1.00 0.00 H new ATOM 0 HB2 LEU B 8 6.056 0.969 -4.154 1.00 0.00 H new ATOM 0 HB3 LEU B 8 7.092 1.565 -2.873 1.00 0.00 H new ATOM 0 HG LEU B 8 4.049 1.652 -2.906 1.00 0.00 H new ATOM 0 HD11 LEU B 8 4.344 0.054 -0.994 1.00 0.00 H new ATOM 0 HD12 LEU B 8 5.099 -0.581 -2.475 1.00 0.00 H new ATOM 0 HD13 LEU B 8 6.109 0.146 -1.203 1.00 0.00 H new ATOM 0 HD21 LEU B 8 4.212 2.494 -0.599 1.00 0.00 H new ATOM 0 HD22 LEU B 8 5.982 2.583 -0.753 1.00 0.00 H new ATOM 0 HD23 LEU B 8 4.948 3.628 -1.757 1.00 0.00 H new ATOM 721 N THR B 9 7.525 3.921 -5.951 1.00 0.00 N ATOM 722 CA THR B 9 8.767 4.187 -6.672 1.00 0.00 C ATOM 723 C THR B 9 8.820 5.610 -7.229 1.00 0.00 C ATOM 724 O THR B 9 9.782 5.969 -7.905 1.00 0.00 O ATOM 725 CB THR B 9 8.967 3.175 -7.801 1.00 0.00 C ATOM 726 OG1 THR B 9 7.931 3.312 -8.752 1.00 0.00 O ATOM 727 CG2 THR B 9 8.975 1.743 -7.270 1.00 0.00 C ATOM 0 H THR B 9 6.683 4.207 -6.451 1.00 0.00 H new ATOM 0 HA THR B 9 9.578 4.084 -5.951 1.00 0.00 H new ATOM 0 HB THR B 9 9.932 3.376 -8.265 1.00 0.00 H new ATOM 0 HG1 THR B 9 8.063 2.664 -9.475 1.00 0.00 H new ATOM 0 HG21 THR B 9 9.119 1.049 -8.098 1.00 0.00 H new ATOM 0 HG22 THR B 9 9.787 1.626 -6.552 1.00 0.00 H new ATOM 0 HG23 THR B 9 8.025 1.531 -6.780 1.00 0.00 H new ATOM 735 N GLY B 10 7.794 6.428 -6.954 1.00 0.00 N ATOM 736 CA GLY B 10 7.775 7.827 -7.358 1.00 0.00 C ATOM 737 C GLY B 10 6.946 8.049 -8.619 1.00 0.00 C ATOM 738 O GLY B 10 6.803 9.186 -9.071 1.00 0.00 O ATOM 0 H GLY B 10 6.960 6.132 -6.447 1.00 0.00 H new ATOM 0 HA2 GLY B 10 7.370 8.433 -6.547 1.00 0.00 H new ATOM 0 HA3 GLY B 10 8.796 8.168 -7.531 1.00 0.00 H new ATOM 742 N LYS B 11 6.402 6.973 -9.190 1.00 0.00 N ATOM 743 CA LYS B 11 5.618 7.022 -10.409 1.00 0.00 C ATOM 744 C LYS B 11 4.157 7.234 -10.050 1.00 0.00 C ATOM 745 O LYS B 11 3.693 6.780 -9.006 1.00 0.00 O ATOM 746 CB LYS B 11 5.863 5.705 -11.153 1.00 0.00 C ATOM 747 CG LYS B 11 4.943 5.487 -12.348 1.00 0.00 C ATOM 748 CD LYS B 11 3.631 4.788 -11.971 1.00 0.00 C ATOM 749 CE LYS B 11 2.753 4.685 -13.221 1.00 0.00 C ATOM 750 NZ LYS B 11 3.311 3.732 -14.200 1.00 0.00 N ATOM 0 H LYS B 11 6.500 6.033 -8.807 1.00 0.00 H new ATOM 0 HA LYS B 11 5.905 7.849 -11.058 1.00 0.00 H new ATOM 0 HB2 LYS B 11 6.898 5.680 -11.495 1.00 0.00 H new ATOM 0 HB3 LYS B 11 5.738 4.877 -10.455 1.00 0.00 H new ATOM 0 HG2 LYS B 11 4.717 6.450 -12.807 1.00 0.00 H new ATOM 0 HG3 LYS B 11 5.464 4.891 -13.097 1.00 0.00 H new ATOM 0 HD2 LYS B 11 3.834 3.795 -11.569 1.00 0.00 H new ATOM 0 HD3 LYS B 11 3.115 5.348 -11.192 1.00 0.00 H new ATOM 0 HE2 LYS B 11 1.749 4.369 -12.936 1.00 0.00 H new ATOM 0 HE3 LYS B 11 2.659 5.668 -13.682 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 2.682 3.675 -15.026 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 4.252 4.056 -14.503 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 3.393 2.792 -13.762 1.00 0.00 H new ATOM 764 N THR B 12 3.424 7.924 -10.919 1.00 0.00 N ATOM 765 CA THR B 12 2.037 8.259 -10.661 1.00 0.00 C ATOM 766 C THR B 12 1.164 7.588 -11.711 1.00 0.00 C ATOM 767 O THR B 12 1.182 7.959 -12.883 1.00 0.00 O ATOM 768 CB THR B 12 1.869 9.775 -10.697 1.00 0.00 C ATOM 769 OG1 THR B 12 2.586 10.350 -9.628 1.00 0.00 O ATOM 770 CG2 THR B 12 0.397 10.150 -10.561 1.00 0.00 C ATOM 0 H THR B 12 3.776 8.262 -11.814 1.00 0.00 H new ATOM 0 HA THR B 12 1.736 7.904 -9.676 1.00 0.00 H new ATOM 0 HB THR B 12 2.248 10.147 -11.649 1.00 0.00 H new ATOM 0 HG1 THR B 12 2.481 11.324 -9.650 1.00 0.00 H new ATOM 0 HG21 THR B 12 0.294 11.235 -10.588 1.00 0.00 H new ATOM 0 HG22 THR B 12 -0.168 9.711 -11.383 1.00 0.00 H new ATOM 0 HG23 THR B 12 0.011 9.773 -9.614 1.00 0.00 H new ATOM 778 N ILE B 13 0.396 6.593 -11.276 1.00 0.00 N ATOM 779 CA ILE B 13 -0.530 5.874 -12.121 1.00 0.00 C ATOM 780 C ILE B 13 -1.759 6.755 -12.287 1.00 0.00 C ATOM 781 O ILE B 13 -2.128 7.480 -11.365 1.00 0.00 O ATOM 782 CB ILE B 13 -0.920 4.549 -11.449 1.00 0.00 C ATOM 783 CG1 ILE B 13 0.282 3.843 -10.806 1.00 0.00 C ATOM 784 CG2 ILE B 13 -1.546 3.627 -12.495 1.00 0.00 C ATOM 785 CD1 ILE B 13 -0.168 2.712 -9.887 1.00 0.00 C ATOM 0 H ILE B 13 0.406 6.265 -10.310 1.00 0.00 H new ATOM 0 HA ILE B 13 -0.084 5.647 -13.089 1.00 0.00 H new ATOM 0 HB ILE B 13 -1.630 4.776 -10.654 1.00 0.00 H new ATOM 0 HG12 ILE B 13 0.932 3.445 -11.585 1.00 0.00 H new ATOM 0 HG13 ILE B 13 0.869 4.564 -10.238 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -1.826 2.683 -12.027 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -2.433 4.102 -12.914 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -0.826 3.438 -13.291 1.00 0.00 H new ATOM 0 HD11 ILE B 13 0.706 2.231 -9.447 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -0.798 3.116 -9.094 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -0.734 1.979 -10.462 1.00 0.00 H new ATOM 797 N THR B 14 -2.394 6.700 -13.454 1.00 0.00 N ATOM 798 CA THR B 14 -3.557 7.533 -13.732 1.00 0.00 C ATOM 799 C THR B 14 -4.600 6.745 -14.513 1.00 0.00 C ATOM 800 O THR B 14 -4.372 6.383 -15.666 1.00 0.00 O ATOM 801 CB THR B 14 -3.122 8.785 -14.491 1.00 0.00 C ATOM 802 OG1 THR B 14 -2.091 9.456 -13.801 1.00 0.00 O ATOM 803 CG2 THR B 14 -4.312 9.729 -14.616 1.00 0.00 C ATOM 0 H THR B 14 -2.122 6.087 -14.222 1.00 0.00 H new ATOM 0 HA THR B 14 -4.014 7.842 -12.792 1.00 0.00 H new ATOM 0 HB THR B 14 -2.758 8.486 -15.474 1.00 0.00 H new ATOM 0 HG1 THR B 14 -1.826 10.254 -14.304 1.00 0.00 H new ATOM 0 HG21 THR B 14 -4.010 10.626 -15.157 1.00 0.00 H new ATOM 0 HG22 THR B 14 -5.116 9.231 -15.159 1.00 0.00 H new ATOM 0 HG23 THR B 14 -4.663 10.006 -13.622 1.00 0.00 H new ATOM 811 N LEU B 15 -5.747 6.484 -13.877 1.00 0.00 N ATOM 812 CA LEU B 15 -6.831 5.699 -14.445 1.00 0.00 C ATOM 813 C LEU B 15 -8.172 6.279 -14.034 1.00 0.00 C ATOM 814 O LEU B 15 -8.303 6.937 -13.003 1.00 0.00 O ATOM 815 CB LEU B 15 -6.697 4.203 -14.090 1.00 0.00 C ATOM 816 CG LEU B 15 -6.365 3.817 -12.633 1.00 0.00 C ATOM 817 CD1 LEU B 15 -5.019 4.344 -12.151 1.00 0.00 C ATOM 818 CD2 LEU B 15 -7.443 4.253 -11.651 1.00 0.00 C ATOM 0 H LEU B 15 -5.945 6.822 -12.935 1.00 0.00 H new ATOM 0 HA LEU B 15 -6.769 5.757 -15.532 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -7.634 3.714 -14.357 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -5.923 3.779 -14.730 1.00 0.00 H new ATOM 0 HG LEU B 15 -6.316 2.728 -12.655 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -4.855 4.033 -11.119 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -4.225 3.944 -12.781 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -5.013 5.433 -12.207 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -7.158 3.956 -10.642 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -7.556 5.336 -11.692 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -8.389 3.779 -11.915 1.00 0.00 H new ATOM 830 N GLU B 16 -9.173 6.025 -14.868 1.00 0.00 N ATOM 831 CA GLU B 16 -10.460 6.663 -14.754 1.00 0.00 C ATOM 832 C GLU B 16 -11.315 5.957 -13.719 1.00 0.00 C ATOM 833 O GLU B 16 -11.134 4.769 -13.457 1.00 0.00 O ATOM 834 CB GLU B 16 -11.158 6.609 -16.107 1.00 0.00 C ATOM 835 CG GLU B 16 -10.284 7.182 -17.220 1.00 0.00 C ATOM 836 CD GLU B 16 -9.084 6.308 -17.575 1.00 0.00 C ATOM 837 OE1 GLU B 16 -9.255 5.072 -17.624 1.00 0.00 O ATOM 838 OE2 GLU B 16 -7.999 6.889 -17.792 1.00 0.00 O ATOM 0 H GLU B 16 -9.105 5.366 -15.643 1.00 0.00 H new ATOM 0 HA GLU B 16 -10.319 7.698 -14.442 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -11.415 5.576 -16.342 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -12.093 7.167 -16.056 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -10.895 7.324 -18.112 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -9.927 8.167 -16.918 1.00 0.00 H new ATOM 845 N VAL B 17 -12.250 6.700 -13.136 1.00 0.00 N ATOM 846 CA VAL B 17 -13.111 6.203 -12.070 1.00 0.00 C ATOM 847 C VAL B 17 -14.460 6.906 -12.110 1.00 0.00 C ATOM 848 O VAL B 17 -14.678 7.793 -12.931 1.00 0.00 O ATOM 849 CB VAL B 17 -12.462 6.416 -10.695 1.00 0.00 C ATOM 850 CG1 VAL B 17 -11.220 5.544 -10.517 1.00 0.00 C ATOM 851 CG2 VAL B 17 -12.078 7.882 -10.488 1.00 0.00 C ATOM 0 H VAL B 17 -12.432 7.670 -13.392 1.00 0.00 H new ATOM 0 HA VAL B 17 -13.255 5.134 -12.227 1.00 0.00 H new ATOM 0 HB VAL B 17 -13.204 6.128 -9.950 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -10.788 5.722 -9.532 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -11.497 4.494 -10.607 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -10.487 5.793 -11.285 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -11.621 8.003 -9.506 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -11.369 8.185 -11.258 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -12.971 8.504 -10.552 1.00 0.00 H new ATOM 861 N GLU B 18 -15.364 6.507 -11.212 1.00 0.00 N ATOM 862 CA GLU B 18 -16.689 7.094 -11.123 1.00 0.00 C ATOM 863 C GLU B 18 -17.080 7.210 -9.656 1.00 0.00 C ATOM 864 O GLU B 18 -16.536 6.496 -8.813 1.00 0.00 O ATOM 865 CB GLU B 18 -17.694 6.212 -11.877 1.00 0.00 C ATOM 866 CG GLU B 18 -17.309 6.102 -13.348 1.00 0.00 C ATOM 867 CD GLU B 18 -18.388 5.385 -14.159 1.00 0.00 C ATOM 868 OE1 GLU B 18 -19.439 6.021 -14.408 1.00 0.00 O ATOM 869 OE2 GLU B 18 -18.162 4.210 -14.523 1.00 0.00 O ATOM 0 H GLU B 18 -15.191 5.768 -10.530 1.00 0.00 H new ATOM 0 HA GLU B 18 -16.690 8.086 -11.575 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -17.724 5.219 -11.428 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -18.695 6.633 -11.788 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -17.147 7.099 -13.758 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -16.366 5.563 -13.439 1.00 0.00 H new ATOM 876 N PRO B 19 -18.025 8.100 -9.334 1.00 0.00 N ATOM 877 CA PRO B 19 -18.520 8.272 -7.983 1.00 0.00 C ATOM 878 C PRO B 19 -19.395 7.087 -7.575 1.00 0.00 C ATOM 879 O PRO B 19 -20.013 7.109 -6.510 1.00 0.00 O ATOM 880 CB PRO B 19 -19.315 9.571 -8.010 1.00 0.00 C ATOM 881 CG PRO B 19 -19.807 9.657 -9.453 1.00 0.00 C ATOM 882 CD PRO B 19 -18.687 9.002 -10.258 1.00 0.00 C ATOM 0 HA PRO B 19 -17.713 8.316 -7.251 1.00 0.00 H new ATOM 0 HB2 PRO B 19 -20.145 9.549 -7.304 1.00 0.00 H new ATOM 0 HB3 PRO B 19 -18.694 10.427 -7.746 1.00 0.00 H new ATOM 0 HG2 PRO B 19 -20.754 9.133 -9.585 1.00 0.00 H new ATOM 0 HG3 PRO B 19 -19.969 10.690 -9.760 1.00 0.00 H new ATOM 0 HD2 PRO B 19 -19.085 8.462 -11.117 1.00 0.00 H new ATOM 0 HD3 PRO B 19 -17.993 9.748 -10.644 1.00 0.00 H new ATOM 890 N SER B 20 -19.445 6.055 -8.421 1.00 0.00 N ATOM 891 CA SER B 20 -20.197 4.842 -8.172 1.00 0.00 C ATOM 892 C SER B 20 -19.271 3.633 -8.197 1.00 0.00 C ATOM 893 O SER B 20 -19.713 2.506 -7.965 1.00 0.00 O ATOM 894 CB SER B 20 -21.317 4.720 -9.199 1.00 0.00 C ATOM 895 OG SER B 20 -20.776 4.745 -10.507 1.00 0.00 O ATOM 0 H SER B 20 -18.951 6.048 -9.313 1.00 0.00 H new ATOM 0 HA SER B 20 -20.648 4.884 -7.181 1.00 0.00 H new ATOM 0 HB2 SER B 20 -21.867 3.792 -9.041 1.00 0.00 H new ATOM 0 HB3 SER B 20 -22.027 5.537 -9.074 1.00 0.00 H new ATOM 0 HG SER B 20 -21.500 4.665 -11.162 1.00 0.00 H new ATOM 901 N ASP B 21 -17.983 3.856 -8.475 1.00 0.00 N ATOM 902 CA ASP B 21 -16.973 2.847 -8.282 1.00 0.00 C ATOM 903 C ASP B 21 -16.589 2.915 -6.810 1.00 0.00 C ATOM 904 O ASP B 21 -17.025 3.792 -6.066 1.00 0.00 O ATOM 905 CB ASP B 21 -15.747 3.111 -9.161 1.00 0.00 C ATOM 906 CG ASP B 21 -16.006 2.922 -10.652 1.00 0.00 C ATOM 907 OD1 ASP B 21 -16.960 2.188 -10.994 1.00 0.00 O ATOM 908 OD2 ASP B 21 -15.236 3.515 -11.437 1.00 0.00 O ATOM 0 H ASP B 21 -17.627 4.740 -8.837 1.00 0.00 H new ATOM 0 HA ASP B 21 -17.350 1.863 -8.560 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -15.400 4.130 -8.988 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -14.941 2.444 -8.854 1.00 0.00 H new ATOM 913 N THR B 22 -15.762 1.967 -6.408 1.00 0.00 N ATOM 914 CA THR B 22 -15.373 1.743 -5.024 1.00 0.00 C ATOM 915 C THR B 22 -13.875 1.484 -4.954 1.00 0.00 C ATOM 916 O THR B 22 -13.222 1.346 -5.989 1.00 0.00 O ATOM 917 CB THR B 22 -16.181 0.566 -4.460 1.00 0.00 C ATOM 918 OG1 THR B 22 -15.821 0.327 -3.117 1.00 0.00 O ATOM 919 CG2 THR B 22 -15.950 -0.715 -5.260 1.00 0.00 C ATOM 0 H THR B 22 -15.328 1.309 -7.056 1.00 0.00 H new ATOM 0 HA THR B 22 -15.587 2.624 -4.419 1.00 0.00 H new ATOM 0 HB THR B 22 -17.234 0.838 -4.529 1.00 0.00 H new ATOM 0 HG1 THR B 22 -16.215 1.018 -2.545 1.00 0.00 H new ATOM 0 HG21 THR B 22 -16.539 -1.524 -4.829 1.00 0.00 H new ATOM 0 HG22 THR B 22 -16.253 -0.557 -6.295 1.00 0.00 H new ATOM 0 HG23 THR B 22 -14.893 -0.979 -5.227 1.00 0.00 H new ATOM 927 N ILE B 23 -13.308 1.417 -3.748 1.00 0.00 N ATOM 928 CA ILE B 23 -11.880 1.199 -3.598 1.00 0.00 C ATOM 929 C ILE B 23 -11.457 -0.091 -4.300 1.00 0.00 C ATOM 930 O ILE B 23 -10.357 -0.171 -4.843 1.00 0.00 O ATOM 931 CB ILE B 23 -11.534 1.158 -2.106 1.00 0.00 C ATOM 932 CG1 ILE B 23 -11.940 2.440 -1.367 1.00 0.00 C ATOM 933 CG2 ILE B 23 -10.036 0.930 -1.939 1.00 0.00 C ATOM 934 CD1 ILE B 23 -11.558 3.723 -2.118 1.00 0.00 C ATOM 0 H ILE B 23 -13.818 1.511 -2.870 1.00 0.00 H new ATOM 0 HA ILE B 23 -11.334 2.018 -4.065 1.00 0.00 H new ATOM 0 HB ILE B 23 -12.101 0.338 -1.666 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -13.018 2.431 -1.204 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -11.469 2.449 -0.384 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -9.789 0.901 -0.878 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -9.758 -0.016 -2.403 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -9.489 1.743 -2.417 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -11.874 4.591 -1.540 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -10.478 3.754 -2.258 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -12.051 3.736 -3.090 1.00 0.00 H new ATOM 946 N GLU B 24 -12.325 -1.110 -4.297 1.00 0.00 N ATOM 947 CA GLU B 24 -12.028 -2.378 -4.949 1.00 0.00 C ATOM 948 C GLU B 24 -11.902 -2.203 -6.464 1.00 0.00 C ATOM 949 O GLU B 24 -11.124 -2.909 -7.105 1.00 0.00 O ATOM 950 CB GLU B 24 -13.132 -3.380 -4.601 1.00 0.00 C ATOM 951 CG GLU B 24 -13.011 -4.637 -5.462 1.00 0.00 C ATOM 952 CD GLU B 24 -13.873 -5.767 -4.911 1.00 0.00 C ATOM 953 OE1 GLU B 24 -15.071 -5.814 -5.274 1.00 0.00 O ATOM 954 OE2 GLU B 24 -13.328 -6.578 -4.129 1.00 0.00 O ATOM 0 H GLU B 24 -13.240 -1.074 -3.847 1.00 0.00 H new ATOM 0 HA GLU B 24 -11.070 -2.754 -4.591 1.00 0.00 H new ATOM 0 HB2 GLU B 24 -13.068 -3.648 -3.546 1.00 0.00 H new ATOM 0 HB3 GLU B 24 -14.109 -2.921 -4.754 1.00 0.00 H new ATOM 0 HG2 GLU B 24 -13.313 -4.411 -6.485 1.00 0.00 H new ATOM 0 HG3 GLU B 24 -11.969 -4.956 -5.500 1.00 0.00 H new ATOM 961 N ASN B 25 -12.655 -1.266 -7.044 1.00 0.00 N ATOM 962 CA ASN B 25 -12.595 -0.973 -8.458 1.00 0.00 C ATOM 963 C ASN B 25 -11.325 -0.195 -8.771 1.00 0.00 C ATOM 964 O ASN B 25 -10.723 -0.400 -9.823 1.00 0.00 O ATOM 965 CB ASN B 25 -13.803 -0.118 -8.804 1.00 0.00 C ATOM 966 CG ASN B 25 -15.022 -0.948 -9.150 1.00 0.00 C ATOM 967 OD1 ASN B 25 -15.216 -2.046 -8.642 1.00 0.00 O ATOM 968 ND2 ASN B 25 -15.857 -0.411 -10.032 1.00 0.00 N ATOM 0 H ASN B 25 -13.325 -0.691 -6.533 1.00 0.00 H new ATOM 0 HA ASN B 25 -12.593 -1.897 -9.036 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -14.037 0.532 -7.961 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -13.557 0.529 -9.646 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -16.698 -0.916 -10.311 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -15.657 0.506 -10.431 1.00 0.00 H new ATOM 975 N VAL B 26 -10.908 0.696 -7.867 1.00 0.00 N ATOM 976 CA VAL B 26 -9.686 1.461 -8.072 1.00 0.00 C ATOM 977 C VAL B 26 -8.499 0.507 -8.068 1.00 0.00 C ATOM 978 O VAL B 26 -7.542 0.717 -8.809 1.00 0.00 O ATOM 979 CB VAL B 26 -9.558 2.548 -7.001 1.00 0.00 C ATOM 980 CG1 VAL B 26 -8.298 3.378 -7.236 1.00 0.00 C ATOM 981 CG2 VAL B 26 -10.759 3.492 -7.070 1.00 0.00 C ATOM 0 H VAL B 26 -11.397 0.901 -6.995 1.00 0.00 H new ATOM 0 HA VAL B 26 -9.713 1.967 -9.037 1.00 0.00 H new ATOM 0 HB VAL B 26 -9.511 2.059 -6.028 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -8.220 4.147 -6.467 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -7.422 2.730 -7.192 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -8.351 3.850 -8.217 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -10.661 4.262 -6.305 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -10.798 3.960 -8.054 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -11.676 2.927 -6.900 1.00 0.00 H new ATOM 991 N LYS B 27 -8.551 -0.547 -7.245 1.00 0.00 N ATOM 992 CA LYS B 27 -7.509 -1.568 -7.250 1.00 0.00 C ATOM 993 C LYS B 27 -7.537 -2.355 -8.557 1.00 0.00 C ATOM 994 O LYS B 27 -6.487 -2.778 -9.031 1.00 0.00 O ATOM 995 CB LYS B 27 -7.700 -2.535 -6.076 1.00 0.00 C ATOM 996 CG LYS B 27 -7.479 -1.858 -4.723 1.00 0.00 C ATOM 997 CD LYS B 27 -7.723 -2.883 -3.617 1.00 0.00 C ATOM 998 CE LYS B 27 -7.458 -2.257 -2.250 1.00 0.00 C ATOM 999 NZ LYS B 27 -7.610 -3.257 -1.175 1.00 0.00 N ATOM 0 H LYS B 27 -9.301 -0.711 -6.573 1.00 0.00 H new ATOM 0 HA LYS B 27 -6.546 -1.066 -7.152 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -8.707 -2.951 -6.111 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -7.007 -3.370 -6.179 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -6.464 -1.466 -4.658 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -8.156 -1.011 -4.609 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -8.750 -3.245 -3.666 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -7.074 -3.746 -3.762 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -6.451 -1.841 -2.225 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -8.149 -1.430 -2.084 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -8.258 -2.891 -0.449 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -7.996 -4.137 -1.572 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -6.682 -3.449 -0.746 1.00 0.00 H new ATOM 1013 N ALA B 28 -8.723 -2.549 -9.138 1.00 0.00 N ATOM 1014 CA ALA B 28 -8.871 -3.287 -10.385 1.00 0.00 C ATOM 1015 C ALA B 28 -8.361 -2.470 -11.574 1.00 0.00 C ATOM 1016 O ALA B 28 -7.864 -3.041 -12.544 1.00 0.00 O ATOM 1017 CB ALA B 28 -10.354 -3.629 -10.575 1.00 0.00 C ATOM 0 H ALA B 28 -9.602 -2.199 -8.756 1.00 0.00 H new ATOM 0 HA ALA B 28 -8.277 -4.200 -10.335 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -10.484 -4.182 -11.505 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -10.697 -4.239 -9.739 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -10.937 -2.709 -10.616 1.00 0.00 H new ATOM 1023 N LYS B 29 -8.472 -1.139 -11.507 1.00 0.00 N ATOM 1024 CA LYS B 29 -7.936 -0.266 -12.546 1.00 0.00 C ATOM 1025 C LYS B 29 -6.417 -0.181 -12.423 1.00 0.00 C ATOM 1026 O LYS B 29 -5.719 -0.055 -13.427 1.00 0.00 O ATOM 1027 CB LYS B 29 -8.560 1.123 -12.409 1.00 0.00 C ATOM 1028 CG LYS B 29 -10.046 1.090 -12.760 1.00 0.00 C ATOM 1029 CD LYS B 29 -10.838 2.044 -11.868 1.00 0.00 C ATOM 1030 CE LYS B 29 -12.339 1.919 -12.132 1.00 0.00 C ATOM 1031 NZ LYS B 29 -12.700 2.423 -13.470 1.00 0.00 N ATOM 0 H LYS B 29 -8.930 -0.646 -10.741 1.00 0.00 H new ATOM 0 HA LYS B 29 -8.180 -0.673 -13.527 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -8.431 1.485 -11.389 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -8.043 1.824 -13.064 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -10.183 1.365 -13.806 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -10.429 0.076 -12.645 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -10.630 1.826 -10.821 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -10.517 3.070 -12.050 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -12.639 0.875 -12.043 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -12.890 2.474 -11.373 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -13.727 2.578 -13.517 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -12.206 3.321 -13.648 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -12.421 1.726 -14.190 1.00 0.00 H new ATOM 1045 N ILE B 30 -5.895 -0.255 -11.196 1.00 0.00 N ATOM 1046 CA ILE B 30 -4.457 -0.290 -10.961 1.00 0.00 C ATOM 1047 C ILE B 30 -3.916 -1.662 -11.345 1.00 0.00 C ATOM 1048 O ILE B 30 -2.767 -1.780 -11.765 1.00 0.00 O ATOM 1049 CB ILE B 30 -4.187 0.016 -9.484 1.00 0.00 C ATOM 1050 CG1 ILE B 30 -4.529 1.482 -9.219 1.00 0.00 C ATOM 1051 CG2 ILE B 30 -2.726 -0.258 -9.118 1.00 0.00 C ATOM 1052 CD1 ILE B 30 -4.649 1.755 -7.722 1.00 0.00 C ATOM 0 H ILE B 30 -6.457 -0.292 -10.345 1.00 0.00 H new ATOM 0 HA ILE B 30 -3.953 0.459 -11.571 1.00 0.00 H new ATOM 0 HB ILE B 30 -4.808 -0.634 -8.867 1.00 0.00 H new ATOM 0 HG12 ILE B 30 -3.758 2.122 -9.648 1.00 0.00 H new ATOM 0 HG13 ILE B 30 -5.466 1.736 -9.715 1.00 0.00 H new ATOM 0 HG21 ILE B 30 -2.566 -0.031 -8.064 1.00 0.00 H new ATOM 0 HG22 ILE B 30 -2.495 -1.307 -9.303 1.00 0.00 H new ATOM 0 HG23 ILE B 30 -2.075 0.369 -9.727 1.00 0.00 H new ATOM 0 HD11 ILE B 30 -4.893 2.805 -7.562 1.00 0.00 H new ATOM 0 HD12 ILE B 30 -5.437 1.131 -7.300 1.00 0.00 H new ATOM 0 HD13 ILE B 30 -3.703 1.524 -7.233 1.00 0.00 H new ATOM 1064 N GLN B 31 -4.739 -2.704 -11.212 1.00 0.00 N ATOM 1065 CA GLN B 31 -4.353 -4.040 -11.616 1.00 0.00 C ATOM 1066 C GLN B 31 -4.273 -4.131 -13.140 1.00 0.00 C ATOM 1067 O GLN B 31 -3.762 -5.096 -13.700 1.00 0.00 O ATOM 1068 CB GLN B 31 -5.339 -5.059 -11.037 1.00 0.00 C ATOM 1069 CG GLN B 31 -4.807 -6.433 -11.413 1.00 0.00 C ATOM 1070 CD GLN B 31 -5.316 -7.573 -10.549 1.00 0.00 C ATOM 1071 OE1 GLN B 31 -6.468 -7.588 -10.123 1.00 0.00 O ATOM 1072 NE2 GLN B 31 -4.439 -8.540 -10.292 1.00 0.00 N ATOM 0 H GLN B 31 -5.680 -2.638 -10.824 1.00 0.00 H new ATOM 0 HA GLN B 31 -3.362 -4.268 -11.224 1.00 0.00 H new ATOM 0 HB2 GLN B 31 -5.414 -4.955 -9.955 1.00 0.00 H new ATOM 0 HB3 GLN B 31 -6.339 -4.905 -11.443 1.00 0.00 H new ATOM 0 HG2 GLN B 31 -5.070 -6.637 -12.451 1.00 0.00 H new ATOM 0 HG3 GLN B 31 -3.719 -6.413 -11.358 1.00 0.00 H new ATOM 0 HE21 GLN B 31 -3.493 -8.483 -10.668 1.00 0.00 H new ATOM 0 HE22 GLN B 31 -4.713 -9.338 -9.719 1.00 0.00 H new ATOM 1081 N ASP B 32 -4.783 -3.108 -13.820 1.00 0.00 N ATOM 1082 CA ASP B 32 -4.723 -3.005 -15.269 1.00 0.00 C ATOM 1083 C ASP B 32 -3.480 -2.229 -15.684 1.00 0.00 C ATOM 1084 O ASP B 32 -2.817 -2.562 -16.666 1.00 0.00 O ATOM 1085 CB ASP B 32 -5.947 -2.226 -15.744 1.00 0.00 C ATOM 1086 CG ASP B 32 -6.384 -2.675 -17.136 1.00 0.00 C ATOM 1087 OD1 ASP B 32 -7.018 -3.752 -17.223 1.00 0.00 O ATOM 1088 OD2 ASP B 32 -6.080 -1.940 -18.101 1.00 0.00 O ATOM 0 H ASP B 32 -5.254 -2.321 -13.373 1.00 0.00 H new ATOM 0 HA ASP B 32 -4.695 -4.004 -15.704 1.00 0.00 H new ATOM 0 HB2 ASP B 32 -6.767 -2.368 -15.040 1.00 0.00 H new ATOM 0 HB3 ASP B 32 -5.719 -1.160 -15.758 1.00 0.00 H new ATOM 1093 N LYS B 33 -3.183 -1.184 -14.907 1.00 0.00 N ATOM 1094 CA LYS B 33 -2.075 -0.275 -15.149 1.00 0.00 C ATOM 1095 C LYS B 33 -0.730 -0.852 -14.733 1.00 0.00 C ATOM 1096 O LYS B 33 0.287 -0.520 -15.338 1.00 0.00 O ATOM 1097 CB LYS B 33 -2.332 0.986 -14.330 1.00 0.00 C ATOM 1098 CG LYS B 33 -3.432 1.860 -14.927 1.00 0.00 C ATOM 1099 CD LYS B 33 -2.985 2.465 -16.258 1.00 0.00 C ATOM 1100 CE LYS B 33 -3.961 3.579 -16.631 1.00 0.00 C ATOM 1101 NZ LYS B 33 -3.681 4.113 -17.977 1.00 0.00 N ATOM 0 H LYS B 33 -3.723 -0.947 -14.075 1.00 0.00 H new ATOM 0 HA LYS B 33 -2.024 -0.080 -16.220 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -2.608 0.705 -13.314 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -1.411 1.564 -14.262 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -4.333 1.265 -15.077 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -3.689 2.657 -14.229 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -1.972 2.860 -16.175 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -2.966 1.701 -17.035 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -4.981 3.198 -16.594 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -3.895 4.383 -15.898 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -4.361 4.867 -18.200 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -2.715 4.498 -18.004 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -3.769 3.350 -18.678 1.00 0.00 H new ATOM 1115 N GLU B 34 -0.712 -1.706 -13.709 1.00 0.00 N ATOM 1116 CA GLU B 34 0.525 -2.263 -13.180 1.00 0.00 C ATOM 1117 C GLU B 34 0.464 -3.772 -12.960 1.00 0.00 C ATOM 1118 O GLU B 34 1.499 -4.403 -12.742 1.00 0.00 O ATOM 1119 CB GLU B 34 0.822 -1.582 -11.851 1.00 0.00 C ATOM 1120 CG GLU B 34 1.178 -0.104 -12.013 1.00 0.00 C ATOM 1121 CD GLU B 34 2.480 0.113 -12.784 1.00 0.00 C ATOM 1122 OE1 GLU B 34 3.322 -0.815 -12.799 1.00 0.00 O ATOM 1123 OE2 GLU B 34 2.629 1.218 -13.354 1.00 0.00 O ATOM 0 H GLU B 34 -1.552 -2.027 -13.228 1.00 0.00 H new ATOM 0 HA GLU B 34 1.308 -2.084 -13.917 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -0.046 -1.673 -11.199 1.00 0.00 H new ATOM 0 HB3 GLU B 34 1.646 -2.098 -11.359 1.00 0.00 H new ATOM 0 HG2 GLU B 34 0.366 0.406 -12.531 1.00 0.00 H new ATOM 0 HG3 GLU B 34 1.264 0.354 -11.028 1.00 0.00 H new ATOM 1130 N GLY B 35 -0.733 -4.362 -13.011 1.00 0.00 N ATOM 1131 CA GLY B 35 -0.894 -5.799 -12.799 1.00 0.00 C ATOM 1132 C GLY B 35 -0.743 -6.160 -11.327 1.00 0.00 C ATOM 1133 O GLY B 35 -0.538 -7.323 -10.986 1.00 0.00 O ATOM 0 H GLY B 35 -1.604 -3.865 -13.197 1.00 0.00 H new ATOM 0 HA2 GLY B 35 -1.875 -6.114 -13.154 1.00 0.00 H new ATOM 0 HA3 GLY B 35 -0.153 -6.341 -13.387 1.00 0.00 H new ATOM 1137 N ILE B 36 -0.842 -5.159 -10.448 1.00 0.00 N ATOM 1138 CA ILE B 36 -0.669 -5.358 -9.019 1.00 0.00 C ATOM 1139 C ILE B 36 -1.907 -6.057 -8.469 1.00 0.00 C ATOM 1140 O ILE B 36 -3.028 -5.672 -8.800 1.00 0.00 O ATOM 1141 CB ILE B 36 -0.468 -3.999 -8.340 1.00 0.00 C ATOM 1142 CG1 ILE B 36 0.877 -3.421 -8.778 1.00 0.00 C ATOM 1143 CG2 ILE B 36 -0.479 -4.132 -6.817 1.00 0.00 C ATOM 1144 CD1 ILE B 36 0.941 -1.918 -8.506 1.00 0.00 C ATOM 0 H ILE B 36 -1.044 -4.195 -10.712 1.00 0.00 H new ATOM 0 HA ILE B 36 0.207 -5.977 -8.823 1.00 0.00 H new ATOM 0 HB ILE B 36 -1.286 -3.342 -8.634 1.00 0.00 H new ATOM 0 HG12 ILE B 36 1.684 -3.925 -8.247 1.00 0.00 H new ATOM 0 HG13 ILE B 36 1.029 -3.609 -9.841 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -0.334 -3.151 -6.365 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -1.436 -4.542 -6.495 1.00 0.00 H new ATOM 0 HG23 ILE B 36 0.325 -4.798 -6.504 1.00 0.00 H new ATOM 0 HD11 ILE B 36 1.908 -1.531 -8.827 1.00 0.00 H new ATOM 0 HD12 ILE B 36 0.148 -1.414 -9.058 1.00 0.00 H new ATOM 0 HD13 ILE B 36 0.813 -1.736 -7.439 1.00 0.00 H new ATOM 1156 N PRO B 37 -1.728 -7.077 -7.627 1.00 0.00 N ATOM 1157 CA PRO B 37 -2.830 -7.817 -7.048 1.00 0.00 C ATOM 1158 C PRO B 37 -3.558 -6.947 -6.028 1.00 0.00 C ATOM 1159 O PRO B 37 -2.925 -6.396 -5.130 1.00 0.00 O ATOM 1160 CB PRO B 37 -2.196 -9.032 -6.376 1.00 0.00 C ATOM 1161 CG PRO B 37 -0.766 -8.588 -6.070 1.00 0.00 C ATOM 1162 CD PRO B 37 -0.443 -7.589 -7.184 1.00 0.00 C ATOM 0 HA PRO B 37 -3.566 -8.117 -7.794 1.00 0.00 H new ATOM 0 HB2 PRO B 37 -2.730 -9.308 -5.467 1.00 0.00 H new ATOM 0 HB3 PRO B 37 -2.211 -9.903 -7.032 1.00 0.00 H new ATOM 0 HG2 PRO B 37 -0.693 -8.126 -5.086 1.00 0.00 H new ATOM 0 HG3 PRO B 37 -0.076 -9.432 -6.078 1.00 0.00 H new ATOM 0 HD2 PRO B 37 0.195 -6.785 -6.818 1.00 0.00 H new ATOM 0 HD3 PRO B 37 0.091 -8.072 -8.002 1.00 0.00 H new ATOM 1170 N PRO B 38 -4.885 -6.814 -6.146 1.00 0.00 N ATOM 1171 CA PRO B 38 -5.723 -6.134 -5.168 1.00 0.00 C ATOM 1172 C PRO B 38 -5.523 -6.678 -3.754 1.00 0.00 C ATOM 1173 O PRO B 38 -5.825 -5.990 -2.780 1.00 0.00 O ATOM 1174 CB PRO B 38 -7.166 -6.339 -5.645 1.00 0.00 C ATOM 1175 CG PRO B 38 -7.072 -7.497 -6.637 1.00 0.00 C ATOM 1176 CD PRO B 38 -5.696 -7.297 -7.243 1.00 0.00 C ATOM 0 HA PRO B 38 -5.464 -5.077 -5.105 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -7.830 -6.579 -4.814 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -7.560 -5.440 -6.119 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -7.161 -8.464 -6.142 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -7.858 -7.451 -7.391 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -5.301 -8.229 -7.648 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -5.724 -6.579 -8.063 1.00 0.00 H new ATOM 1184 N ASP B 39 -5.016 -7.908 -3.638 1.00 0.00 N ATOM 1185 CA ASP B 39 -4.698 -8.509 -2.352 1.00 0.00 C ATOM 1186 C ASP B 39 -3.577 -7.753 -1.632 1.00 0.00 C ATOM 1187 O ASP B 39 -3.535 -7.737 -0.403 1.00 0.00 O ATOM 1188 CB ASP B 39 -4.291 -9.962 -2.568 1.00 0.00 C ATOM 1189 CG ASP B 39 -3.947 -10.650 -1.249 1.00 0.00 C ATOM 1190 OD1 ASP B 39 -4.880 -11.219 -0.636 1.00 0.00 O ATOM 1191 OD2 ASP B 39 -2.759 -10.604 -0.863 1.00 0.00 O ATOM 0 H ASP B 39 -4.816 -8.511 -4.436 1.00 0.00 H new ATOM 0 HA ASP B 39 -5.585 -8.456 -1.720 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -5.103 -10.499 -3.059 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -3.431 -10.004 -3.237 1.00 0.00 H new ATOM 1196 N GLN B 40 -2.668 -7.115 -2.379 1.00 0.00 N ATOM 1197 CA GLN B 40 -1.587 -6.342 -1.776 1.00 0.00 C ATOM 1198 C GLN B 40 -1.910 -4.857 -1.709 1.00 0.00 C ATOM 1199 O GLN B 40 -1.327 -4.146 -0.894 1.00 0.00 O ATOM 1200 CB GLN B 40 -0.323 -6.477 -2.620 1.00 0.00 C ATOM 1201 CG GLN B 40 0.324 -7.849 -2.477 1.00 0.00 C ATOM 1202 CD GLN B 40 1.690 -7.855 -3.148 1.00 0.00 C ATOM 1203 OE1 GLN B 40 2.337 -6.819 -3.292 1.00 0.00 O ATOM 1204 NE2 GLN B 40 2.146 -9.026 -3.570 1.00 0.00 N ATOM 0 H GLN B 40 -2.663 -7.121 -3.399 1.00 0.00 H new ATOM 0 HA GLN B 40 -1.451 -6.733 -0.768 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -0.568 -6.301 -3.667 1.00 0.00 H new ATOM 0 HB3 GLN B 40 0.392 -5.708 -2.326 1.00 0.00 H new ATOM 0 HG2 GLN B 40 0.427 -8.103 -1.422 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -0.314 -8.609 -2.927 1.00 0.00 H new ATOM 0 HE21 GLN B 40 1.587 -9.869 -3.437 1.00 0.00 H new ATOM 0 HE22 GLN B 40 3.056 -9.084 -4.028 1.00 0.00 H new ATOM 1213 N GLN B 41 -2.822 -4.374 -2.550 1.00 0.00 N ATOM 1214 CA GLN B 41 -3.062 -2.944 -2.630 1.00 0.00 C ATOM 1215 C GLN B 41 -3.678 -2.402 -1.346 1.00 0.00 C ATOM 1216 O GLN B 41 -4.663 -2.928 -0.833 1.00 0.00 O ATOM 1217 CB GLN B 41 -3.948 -2.617 -3.828 1.00 0.00 C ATOM 1218 CG GLN B 41 -3.214 -2.924 -5.133 1.00 0.00 C ATOM 1219 CD GLN B 41 -3.987 -2.411 -6.338 1.00 0.00 C ATOM 1220 OE1 GLN B 41 -4.377 -1.249 -6.375 1.00 0.00 O ATOM 1221 NE2 GLN B 41 -4.216 -3.265 -7.329 1.00 0.00 N ATOM 0 H GLN B 41 -3.395 -4.943 -3.173 1.00 0.00 H new ATOM 0 HA GLN B 41 -2.097 -2.456 -2.762 1.00 0.00 H new ATOM 0 HB2 GLN B 41 -4.869 -3.197 -3.776 1.00 0.00 H new ATOM 0 HB3 GLN B 41 -4.232 -1.565 -3.802 1.00 0.00 H new ATOM 0 HG2 GLN B 41 -2.225 -2.467 -5.112 1.00 0.00 H new ATOM 0 HG3 GLN B 41 -3.066 -4.000 -5.225 1.00 0.00 H new ATOM 0 HE21 GLN B 41 -3.876 -4.225 -7.264 1.00 0.00 H new ATOM 0 HE22 GLN B 41 -4.731 -2.961 -8.155 1.00 0.00 H new ATOM 1230 N ARG B 42 -3.071 -1.325 -0.840 1.00 0.00 N ATOM 1231 CA ARG B 42 -3.593 -0.545 0.275 1.00 0.00 C ATOM 1232 C ARG B 42 -3.664 0.920 -0.139 1.00 0.00 C ATOM 1233 O ARG B 42 -2.784 1.712 0.193 1.00 0.00 O ATOM 1234 CB ARG B 42 -2.703 -0.691 1.505 1.00 0.00 C ATOM 1235 CG ARG B 42 -2.657 -2.123 2.039 1.00 0.00 C ATOM 1236 CD ARG B 42 -1.698 -2.193 3.227 1.00 0.00 C ATOM 1237 NE ARG B 42 -2.140 -1.337 4.337 1.00 0.00 N ATOM 1238 CZ ARG B 42 -1.516 -1.265 5.516 1.00 0.00 C ATOM 1239 NH1 ARG B 42 -0.425 -1.985 5.754 1.00 0.00 N ATOM 1240 NH2 ARG B 42 -1.985 -0.471 6.474 1.00 0.00 N ATOM 0 H ARG B 42 -2.187 -0.968 -1.203 1.00 0.00 H new ATOM 0 HA ARG B 42 -4.587 -0.912 0.531 1.00 0.00 H new ATOM 0 HB2 ARG B 42 -1.692 -0.369 1.256 1.00 0.00 H new ATOM 0 HB3 ARG B 42 -3.065 -0.027 2.290 1.00 0.00 H new ATOM 0 HG2 ARG B 42 -3.654 -2.441 2.344 1.00 0.00 H new ATOM 0 HG3 ARG B 42 -2.331 -2.805 1.254 1.00 0.00 H new ATOM 0 HD2 ARG B 42 -1.621 -3.224 3.572 1.00 0.00 H new ATOM 0 HD3 ARG B 42 -0.701 -1.888 2.908 1.00 0.00 H new ATOM 0 HE ARG B 42 -2.972 -0.764 4.199 1.00 0.00 H new ATOM 0 HH11 ARG B 42 -0.054 -2.602 5.032 1.00 0.00 H new ATOM 0 HH12 ARG B 42 0.041 -1.920 6.659 1.00 0.00 H new ATOM 0 HH21 ARG B 42 -2.824 0.086 6.310 1.00 0.00 H new ATOM 0 HH22 ARG B 42 -1.506 -0.419 7.373 1.00 0.00 H new ATOM 1254 N LEU B 43 -4.719 1.272 -0.870 1.00 0.00 N ATOM 1255 CA LEU B 43 -4.979 2.648 -1.272 1.00 0.00 C ATOM 1256 C LEU B 43 -5.142 3.529 -0.039 1.00 0.00 C ATOM 1257 O LEU B 43 -5.677 3.091 0.978 1.00 0.00 O ATOM 1258 CB LEU B 43 -6.245 2.690 -2.131 1.00 0.00 C ATOM 1259 CG LEU B 43 -5.953 2.224 -3.561 1.00 0.00 C ATOM 1260 CD1 LEU B 43 -7.261 1.903 -4.276 1.00 0.00 C ATOM 1261 CD2 LEU B 43 -5.233 3.330 -4.332 1.00 0.00 C ATOM 0 H LEU B 43 -5.419 0.607 -1.200 1.00 0.00 H new ATOM 0 HA LEU B 43 -4.138 3.025 -1.854 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -7.011 2.055 -1.687 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -6.643 3.705 -2.149 1.00 0.00 H new ATOM 0 HG LEU B 43 -5.325 1.334 -3.517 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -7.048 1.572 -5.293 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -7.785 1.112 -3.739 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -7.886 2.795 -4.308 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -5.029 2.992 -5.348 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -5.862 4.219 -4.365 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -4.294 3.569 -3.833 1.00 0.00 H new ATOM 1273 N ILE B 44 -4.678 4.775 -0.136 1.00 0.00 N ATOM 1274 CA ILE B 44 -4.738 5.727 0.965 1.00 0.00 C ATOM 1275 C ILE B 44 -4.986 7.135 0.431 1.00 0.00 C ATOM 1276 O ILE B 44 -4.600 7.464 -0.691 1.00 0.00 O ATOM 1277 CB ILE B 44 -3.423 5.668 1.755 1.00 0.00 C ATOM 1278 CG1 ILE B 44 -3.308 4.320 2.484 1.00 0.00 C ATOM 1279 CG2 ILE B 44 -3.339 6.828 2.750 1.00 0.00 C ATOM 1280 CD1 ILE B 44 -2.129 4.283 3.455 1.00 0.00 C ATOM 0 H ILE B 44 -4.250 5.150 -0.983 1.00 0.00 H new ATOM 0 HA ILE B 44 -5.563 5.468 1.628 1.00 0.00 H new ATOM 0 HB ILE B 44 -2.591 5.761 1.057 1.00 0.00 H new ATOM 0 HG12 ILE B 44 -4.231 4.125 3.030 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -3.197 3.521 1.751 1.00 0.00 H new ATOM 0 HG21 ILE B 44 -2.400 6.768 3.300 1.00 0.00 H new ATOM 0 HG22 ILE B 44 -3.384 7.774 2.211 1.00 0.00 H new ATOM 0 HG23 ILE B 44 -4.173 6.769 3.449 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -2.091 3.310 3.945 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -1.201 4.450 2.908 1.00 0.00 H new ATOM 0 HD13 ILE B 44 -2.252 5.063 4.207 1.00 0.00 H new ATOM 1292 N PHE B 45 -5.633 7.967 1.251 1.00 0.00 N ATOM 1293 CA PHE B 45 -5.876 9.368 0.962 1.00 0.00 C ATOM 1294 C PHE B 45 -5.826 10.103 2.297 1.00 0.00 C ATOM 1295 O PHE B 45 -6.641 9.831 3.177 1.00 0.00 O ATOM 1296 CB PHE B 45 -7.238 9.500 0.282 1.00 0.00 C ATOM 1297 CG PHE B 45 -7.637 10.920 -0.044 1.00 0.00 C ATOM 1298 CD1 PHE B 45 -7.061 11.571 -1.144 1.00 0.00 C ATOM 1299 CD2 PHE B 45 -8.584 11.588 0.743 1.00 0.00 C ATOM 1300 CE1 PHE B 45 -7.434 12.885 -1.461 1.00 0.00 C ATOM 1301 CE2 PHE B 45 -8.957 12.905 0.428 1.00 0.00 C ATOM 1302 CZ PHE B 45 -8.382 13.551 -0.672 1.00 0.00 C ATOM 0 H PHE B 45 -6.008 7.671 2.152 1.00 0.00 H new ATOM 0 HA PHE B 45 -5.134 9.794 0.286 1.00 0.00 H new ATOM 0 HB2 PHE B 45 -7.229 8.917 -0.639 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -7.998 9.061 0.929 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -6.328 11.059 -1.749 1.00 0.00 H new ATOM 0 HD2 PHE B 45 -9.028 11.090 1.593 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -6.992 13.383 -2.311 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -9.688 13.419 1.035 1.00 0.00 H new ATOM 0 HZ PHE B 45 -8.669 14.564 -0.913 1.00 0.00 H new ATOM 1312 N ALA B 46 -4.876 11.031 2.447 1.00 0.00 N ATOM 1313 CA ALA B 46 -4.640 11.749 3.693 1.00 0.00 C ATOM 1314 C ALA B 46 -4.401 10.792 4.865 1.00 0.00 C ATOM 1315 O ALA B 46 -4.550 11.175 6.024 1.00 0.00 O ATOM 1316 CB ALA B 46 -5.787 12.729 3.947 1.00 0.00 C ATOM 0 H ALA B 46 -4.244 11.305 1.694 1.00 0.00 H new ATOM 0 HA ALA B 46 -3.722 12.329 3.600 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -5.608 13.265 4.879 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -5.845 13.442 3.124 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -6.726 12.180 4.018 1.00 0.00 H new ATOM 1322 N GLY B 47 -4.027 9.541 4.568 1.00 0.00 N ATOM 1323 CA GLY B 47 -3.760 8.528 5.577 1.00 0.00 C ATOM 1324 C GLY B 47 -5.027 8.042 6.266 1.00 0.00 C ATOM 1325 O GLY B 47 -4.944 7.408 7.315 1.00 0.00 O ATOM 0 H GLY B 47 -3.902 9.209 3.612 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -3.256 7.681 5.112 1.00 0.00 H new ATOM 0 HA3 GLY B 47 -3.078 8.935 6.323 1.00 0.00 H new ATOM 1329 N LYS B 48 -6.202 8.330 5.692 1.00 0.00 N ATOM 1330 CA LYS B 48 -7.475 7.930 6.280 1.00 0.00 C ATOM 1331 C LYS B 48 -7.900 6.551 5.789 1.00 0.00 C ATOM 1332 O LYS B 48 -9.078 6.210 5.787 1.00 0.00 O ATOM 1333 CB LYS B 48 -8.508 9.041 6.070 1.00 0.00 C ATOM 1334 CG LYS B 48 -9.225 9.056 4.715 1.00 0.00 C ATOM 1335 CD LYS B 48 -10.678 8.588 4.861 1.00 0.00 C ATOM 1336 CE LYS B 48 -11.565 9.262 3.816 1.00 0.00 C ATOM 1337 NZ LYS B 48 -12.989 9.045 4.131 1.00 0.00 N ATOM 0 H LYS B 48 -6.291 8.843 4.815 1.00 0.00 H new ATOM 0 HA LYS B 48 -7.375 7.811 7.359 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -9.261 8.961 6.854 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -8.010 10.001 6.204 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -9.203 10.063 4.298 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -8.699 8.409 4.013 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -10.731 7.505 4.747 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -11.043 8.822 5.861 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -11.352 10.331 3.784 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -11.340 8.863 2.827 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -13.579 9.552 3.440 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -13.203 8.028 4.089 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -13.191 9.402 5.087 1.00 0.00 H new ATOM 1351 N GLN B 49 -6.885 5.792 5.379 1.00 0.00 N ATOM 1352 CA GLN B 49 -6.906 4.453 4.804 1.00 0.00 C ATOM 1353 C GLN B 49 -8.318 3.959 4.490 1.00 0.00 C ATOM 1354 O GLN B 49 -9.032 3.469 5.366 1.00 0.00 O ATOM 1355 CB GLN B 49 -6.135 3.510 5.727 1.00 0.00 C ATOM 1356 CG GLN B 49 -4.852 4.178 6.243 1.00 0.00 C ATOM 1357 CD GLN B 49 -3.825 3.167 6.740 1.00 0.00 C ATOM 1358 OE1 GLN B 49 -2.607 3.634 6.997 1.00 0.00 O flip ATOM 1359 NE2 GLN B 49 -4.110 1.980 6.895 1.00 0.00 N flip ATOM 0 H GLN B 49 -5.929 6.139 5.450 1.00 0.00 H new ATOM 0 HA GLN B 49 -6.411 4.479 3.833 1.00 0.00 H new ATOM 0 HB2 GLN B 49 -6.765 3.223 6.569 1.00 0.00 H new ATOM 0 HB3 GLN B 49 -5.883 2.595 5.191 1.00 0.00 H new ATOM 0 HG2 GLN B 49 -4.412 4.776 5.445 1.00 0.00 H new ATOM 0 HG3 GLN B 49 -5.104 4.863 7.053 1.00 0.00 H new ATOM 0 HE21 GLN B 49 -5.053 1.651 6.689 1.00 0.00 H new ATOM 0 HE22 GLN B 49 -3.403 1.325 7.229 1.00 0.00 H new ATOM 1368 N LEU B 50 -8.712 4.103 3.222 1.00 0.00 N ATOM 1369 CA LEU B 50 -10.073 3.897 2.755 1.00 0.00 C ATOM 1370 C LEU B 50 -10.587 2.477 3.011 1.00 0.00 C ATOM 1371 O LEU B 50 -9.815 1.547 3.243 1.00 0.00 O ATOM 1372 CB LEU B 50 -10.153 4.222 1.257 1.00 0.00 C ATOM 1373 CG LEU B 50 -9.694 5.628 0.843 1.00 0.00 C ATOM 1374 CD1 LEU B 50 -10.266 6.700 1.765 1.00 0.00 C ATOM 1375 CD2 LEU B 50 -8.173 5.769 0.801 1.00 0.00 C ATOM 0 H LEU B 50 -8.071 4.374 2.477 1.00 0.00 H new ATOM 0 HA LEU B 50 -10.715 4.568 3.325 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -9.552 3.492 0.715 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -11.185 4.089 0.932 1.00 0.00 H new ATOM 0 HG LEU B 50 -10.078 5.772 -0.167 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -9.919 7.681 1.441 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -11.355 6.669 1.727 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -9.933 6.517 2.787 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -7.910 6.784 0.502 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -7.761 5.563 1.789 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -7.762 5.061 0.082 1.00 0.00 H new ATOM 1387 N GLU B 51 -11.913 2.331 2.960 1.00 0.00 N ATOM 1388 CA GLU B 51 -12.613 1.068 3.159 1.00 0.00 C ATOM 1389 C GLU B 51 -12.649 0.249 1.868 1.00 0.00 C ATOM 1390 O GLU B 51 -11.808 0.413 0.987 1.00 0.00 O ATOM 1391 CB GLU B 51 -14.036 1.349 3.669 1.00 0.00 C ATOM 1392 CG GLU B 51 -13.962 2.059 5.014 1.00 0.00 C ATOM 1393 CD GLU B 51 -15.353 2.370 5.559 1.00 0.00 C ATOM 1394 OE1 GLU B 51 -16.128 1.410 5.765 1.00 0.00 O ATOM 1395 OE2 GLU B 51 -15.637 3.572 5.768 1.00 0.00 O ATOM 0 H GLU B 51 -12.543 3.111 2.774 1.00 0.00 H new ATOM 0 HA GLU B 51 -12.076 0.479 3.903 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -14.577 1.965 2.950 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -14.589 0.415 3.769 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -13.422 1.436 5.727 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -13.396 2.985 4.907 1.00 0.00 H new ATOM 1402 N ASP B 52 -13.637 -0.639 1.763 1.00 0.00 N ATOM 1403 CA ASP B 52 -13.811 -1.540 0.635 1.00 0.00 C ATOM 1404 C ASP B 52 -15.282 -1.664 0.217 1.00 0.00 C ATOM 1405 O ASP B 52 -15.637 -2.569 -0.539 1.00 0.00 O ATOM 1406 CB ASP B 52 -13.231 -2.901 1.013 1.00 0.00 C ATOM 1407 CG ASP B 52 -13.835 -3.442 2.311 1.00 0.00 C ATOM 1408 OD1 ASP B 52 -14.952 -4.004 2.240 1.00 0.00 O ATOM 1409 OD2 ASP B 52 -13.178 -3.287 3.364 1.00 0.00 O ATOM 0 H ASP B 52 -14.354 -0.751 2.480 1.00 0.00 H new ATOM 0 HA ASP B 52 -13.283 -1.135 -0.228 1.00 0.00 H new ATOM 0 HB2 ASP B 52 -13.414 -3.610 0.205 1.00 0.00 H new ATOM 0 HB3 ASP B 52 -12.150 -2.816 1.124 1.00 0.00 H new ATOM 1414 N GLY B 53 -16.143 -0.765 0.704 1.00 0.00 N ATOM 1415 CA GLY B 53 -17.568 -0.770 0.385 1.00 0.00 C ATOM 1416 C GLY B 53 -18.109 0.647 0.190 1.00 0.00 C ATOM 1417 O GLY B 53 -19.320 0.862 0.166 1.00 0.00 O ATOM 0 H GLY B 53 -15.867 -0.011 1.333 1.00 0.00 H new ATOM 0 HA2 GLY B 53 -17.736 -1.352 -0.521 1.00 0.00 H new ATOM 0 HA3 GLY B 53 -18.119 -1.263 1.186 1.00 0.00 H new ATOM 1421 N ARG B 54 -17.198 1.613 0.050 1.00 0.00 N ATOM 1422 CA ARG B 54 -17.487 3.023 -0.137 1.00 0.00 C ATOM 1423 C ARG B 54 -17.335 3.416 -1.601 1.00 0.00 C ATOM 1424 O ARG B 54 -17.265 2.545 -2.467 1.00 0.00 O ATOM 1425 CB ARG B 54 -16.468 3.774 0.704 1.00 0.00 C ATOM 1426 CG ARG B 54 -16.762 3.687 2.192 1.00 0.00 C ATOM 1427 CD ARG B 54 -18.091 4.380 2.486 1.00 0.00 C ATOM 1428 NE ARG B 54 -18.091 4.999 3.814 1.00 0.00 N ATOM 1429 CZ ARG B 54 -18.616 4.455 4.917 1.00 0.00 C ATOM 1430 NH1 ARG B 54 -19.176 3.249 4.887 1.00 0.00 N ATOM 1431 NH2 ARG B 54 -18.582 5.123 6.067 1.00 0.00 N ATOM 0 H ARG B 54 -16.197 1.417 0.066 1.00 0.00 H new ATOM 0 HA ARG B 54 -18.511 3.255 0.157 1.00 0.00 H new ATOM 0 HB2 ARG B 54 -15.474 3.371 0.509 1.00 0.00 H new ATOM 0 HB3 ARG B 54 -16.453 4.821 0.401 1.00 0.00 H new ATOM 0 HG2 ARG B 54 -16.806 2.644 2.505 1.00 0.00 H new ATOM 0 HG3 ARG B 54 -15.960 4.157 2.761 1.00 0.00 H new ATOM 0 HD2 ARG B 54 -18.281 5.141 1.729 1.00 0.00 H new ATOM 0 HD3 ARG B 54 -18.903 3.655 2.421 1.00 0.00 H new ATOM 0 HE ARG B 54 -17.656 5.917 3.904 1.00 0.00 H new ATOM 0 HH11 ARG B 54 -19.210 2.724 4.013 1.00 0.00 H new ATOM 0 HH12 ARG B 54 -19.572 2.849 5.738 1.00 0.00 H new ATOM 0 HH21 ARG B 54 -18.156 6.049 6.107 1.00 0.00 H new ATOM 0 HH22 ARG B 54 -18.982 4.709 6.909 1.00 0.00 H new ATOM 1445 N THR B 55 -17.284 4.720 -1.885 1.00 0.00 N ATOM 1446 CA THR B 55 -17.129 5.215 -3.250 1.00 0.00 C ATOM 1447 C THR B 55 -16.247 6.449 -3.285 1.00 0.00 C ATOM 1448 O THR B 55 -16.022 7.080 -2.257 1.00 0.00 O ATOM 1449 CB THR B 55 -18.488 5.565 -3.857 1.00 0.00 C ATOM 1450 OG1 THR B 55 -19.170 6.482 -3.032 1.00 0.00 O ATOM 1451 CG2 THR B 55 -19.343 4.316 -4.041 1.00 0.00 C ATOM 0 H THR B 55 -17.349 5.455 -1.180 1.00 0.00 H new ATOM 0 HA THR B 55 -16.662 4.420 -3.832 1.00 0.00 H new ATOM 0 HB THR B 55 -18.311 6.016 -4.834 1.00 0.00 H new ATOM 0 HG1 THR B 55 -20.038 6.699 -3.432 1.00 0.00 H new ATOM 0 HG21 THR B 55 -20.304 4.593 -4.474 1.00 0.00 H new ATOM 0 HG22 THR B 55 -18.832 3.620 -4.707 1.00 0.00 H new ATOM 0 HG23 THR B 55 -19.505 3.840 -3.074 1.00 0.00 H new ATOM 1459 N LEU B 56 -15.742 6.797 -4.474 1.00 0.00 N ATOM 1460 CA LEU B 56 -14.846 7.938 -4.630 1.00 0.00 C ATOM 1461 C LEU B 56 -15.541 9.197 -4.117 1.00 0.00 C ATOM 1462 O LEU B 56 -14.940 10.036 -3.447 1.00 0.00 O ATOM 1463 CB LEU B 56 -14.518 8.132 -6.113 1.00 0.00 C ATOM 1464 CG LEU B 56 -13.587 7.086 -6.734 1.00 0.00 C ATOM 1465 CD1 LEU B 56 -12.175 7.247 -6.179 1.00 0.00 C ATOM 1466 CD2 LEU B 56 -14.045 5.643 -6.521 1.00 0.00 C ATOM 0 H LEU B 56 -15.942 6.300 -5.342 1.00 0.00 H new ATOM 0 HA LEU B 56 -13.930 7.757 -4.067 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -15.452 8.138 -6.674 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -14.064 9.115 -6.239 1.00 0.00 H new ATOM 0 HG LEU B 56 -13.608 7.270 -7.808 1.00 0.00 H new ATOM 0 HD11 LEU B 56 -11.521 6.499 -6.627 1.00 0.00 H new ATOM 0 HD12 LEU B 56 -11.802 8.243 -6.416 1.00 0.00 H new ATOM 0 HD13 LEU B 56 -12.192 7.114 -5.097 1.00 0.00 H new ATOM 0 HD21 LEU B 56 -13.334 4.963 -6.990 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -14.099 5.432 -5.453 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -15.029 5.504 -6.968 1.00 0.00 H new ATOM 1478 N SER B 57 -16.829 9.307 -4.449 1.00 0.00 N ATOM 1479 CA SER B 57 -17.687 10.404 -4.029 1.00 0.00 C ATOM 1480 C SER B 57 -17.770 10.502 -2.510 1.00 0.00 C ATOM 1481 O SER B 57 -17.867 11.598 -1.965 1.00 0.00 O ATOM 1482 CB SER B 57 -19.081 10.161 -4.590 1.00 0.00 C ATOM 1483 OG SER B 57 -19.855 11.337 -4.500 1.00 0.00 O ATOM 0 H SER B 57 -17.309 8.619 -5.029 1.00 0.00 H new ATOM 0 HA SER B 57 -17.268 11.339 -4.402 1.00 0.00 H new ATOM 0 HB2 SER B 57 -19.012 9.841 -5.630 1.00 0.00 H new ATOM 0 HB3 SER B 57 -19.567 9.355 -4.040 1.00 0.00 H new ATOM 0 HG SER B 57 -20.749 11.169 -4.865 1.00 0.00 H new ATOM 1489 N ASP B 58 -17.732 9.357 -1.822 1.00 0.00 N ATOM 1490 CA ASP B 58 -17.793 9.329 -0.364 1.00 0.00 C ATOM 1491 C ASP B 58 -16.598 10.041 0.272 1.00 0.00 C ATOM 1492 O ASP B 58 -16.644 10.401 1.447 1.00 0.00 O ATOM 1493 CB ASP B 58 -17.872 7.884 0.133 1.00 0.00 C ATOM 1494 CG ASP B 58 -18.201 7.839 1.626 1.00 0.00 C ATOM 1495 OD1 ASP B 58 -19.368 8.136 1.968 1.00 0.00 O ATOM 1496 OD2 ASP B 58 -17.288 7.508 2.417 1.00 0.00 O ATOM 0 H ASP B 58 -17.659 8.437 -2.256 1.00 0.00 H new ATOM 0 HA ASP B 58 -18.693 9.865 -0.063 1.00 0.00 H new ATOM 0 HB2 ASP B 58 -18.634 7.343 -0.428 1.00 0.00 H new ATOM 0 HB3 ASP B 58 -16.923 7.380 -0.050 1.00 0.00 H new ATOM 1501 N TYR B 59 -15.522 10.252 -0.495 1.00 0.00 N ATOM 1502 CA TYR B 59 -14.334 10.925 0.001 1.00 0.00 C ATOM 1503 C TYR B 59 -14.186 12.310 -0.630 1.00 0.00 C ATOM 1504 O TYR B 59 -13.158 12.957 -0.444 1.00 0.00 O ATOM 1505 CB TYR B 59 -13.107 10.079 -0.332 1.00 0.00 C ATOM 1506 CG TYR B 59 -13.319 8.586 -0.326 1.00 0.00 C ATOM 1507 CD1 TYR B 59 -13.605 7.903 0.859 1.00 0.00 C ATOM 1508 CD2 TYR B 59 -13.220 7.884 -1.533 1.00 0.00 C ATOM 1509 CE1 TYR B 59 -13.761 6.516 0.854 1.00 0.00 C ATOM 1510 CE2 TYR B 59 -13.375 6.494 -1.554 1.00 0.00 C ATOM 1511 CZ TYR B 59 -13.647 5.812 -0.356 1.00 0.00 C ATOM 1512 OH TYR B 59 -13.798 4.465 -0.361 1.00 0.00 O ATOM 0 H TYR B 59 -15.458 9.960 -1.470 1.00 0.00 H new ATOM 0 HA TYR B 59 -14.426 11.049 1.080 1.00 0.00 H new ATOM 0 HB2 TYR B 59 -12.744 10.372 -1.317 1.00 0.00 H new ATOM 0 HB3 TYR B 59 -12.319 10.318 0.382 1.00 0.00 H new ATOM 0 HD1 TYR B 59 -13.706 8.451 1.784 1.00 0.00 H new ATOM 0 HD2 TYR B 59 -13.023 8.417 -2.451 1.00 0.00 H new ATOM 0 HE1 TYR B 59 -13.968 5.988 1.773 1.00 0.00 H new ATOM 0 HE2 TYR B 59 -13.286 5.950 -2.483 1.00 0.00 H new ATOM 0 HH TYR B 59 -13.361 4.084 0.429 1.00 0.00 H new ATOM 1522 N ASN B 60 -15.201 12.765 -1.378 1.00 0.00 N ATOM 1523 CA ASN B 60 -15.141 14.000 -2.144 1.00 0.00 C ATOM 1524 C ASN B 60 -13.939 14.003 -3.094 1.00 0.00 C ATOM 1525 O ASN B 60 -13.488 15.057 -3.537 1.00 0.00 O ATOM 1526 CB ASN B 60 -15.196 15.187 -1.178 1.00 0.00 C ATOM 1527 CG ASN B 60 -15.305 16.517 -1.877 1.00 0.00 C ATOM 1528 OD1 ASN B 60 -14.330 17.239 -2.058 1.00 0.00 O ATOM 1529 ND2 ASN B 60 -16.519 16.846 -2.274 1.00 0.00 N ATOM 0 H ASN B 60 -16.092 12.275 -1.464 1.00 0.00 H new ATOM 0 HA ASN B 60 -16.006 14.088 -2.801 1.00 0.00 H new ATOM 0 HB2 ASN B 60 -16.048 15.064 -0.510 1.00 0.00 H new ATOM 0 HB3 ASN B 60 -14.301 15.183 -0.556 1.00 0.00 H new ATOM 0 HD21 ASN B 60 -16.676 17.733 -2.753 1.00 0.00 H new ATOM 0 HD22 ASN B 60 -17.301 16.214 -2.102 1.00 0.00 H new ATOM 1536 N ILE B 61 -13.417 12.815 -3.408 1.00 0.00 N ATOM 1537 CA ILE B 61 -12.305 12.659 -4.331 1.00 0.00 C ATOM 1538 C ILE B 61 -12.725 13.075 -5.734 1.00 0.00 C ATOM 1539 O ILE B 61 -13.713 12.579 -6.276 1.00 0.00 O ATOM 1540 CB ILE B 61 -11.798 11.213 -4.275 1.00 0.00 C ATOM 1541 CG1 ILE B 61 -10.811 11.144 -3.103 1.00 0.00 C ATOM 1542 CG2 ILE B 61 -11.118 10.798 -5.581 1.00 0.00 C ATOM 1543 CD1 ILE B 61 -10.328 9.724 -2.809 1.00 0.00 C ATOM 0 H ILE B 61 -13.760 11.934 -3.024 1.00 0.00 H new ATOM 0 HA ILE B 61 -11.481 13.311 -4.041 1.00 0.00 H new ATOM 0 HB ILE B 61 -12.631 10.524 -4.136 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -9.950 11.776 -3.323 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -11.286 11.552 -2.211 1.00 0.00 H new ATOM 0 HG21 ILE B 61 -10.773 9.767 -5.500 1.00 0.00 H new ATOM 0 HG22 ILE B 61 -11.829 10.879 -6.403 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -10.267 11.451 -5.772 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -9.633 9.743 -1.970 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -11.182 9.094 -2.559 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -9.825 9.321 -3.688 1.00 0.00 H new ATOM 1555 N GLN B 62 -11.954 13.996 -6.318 1.00 0.00 N ATOM 1556 CA GLN B 62 -12.133 14.482 -7.673 1.00 0.00 C ATOM 1557 C GLN B 62 -11.139 13.801 -8.609 1.00 0.00 C ATOM 1558 O GLN B 62 -10.321 12.984 -8.184 1.00 0.00 O ATOM 1559 CB GLN B 62 -11.952 15.997 -7.684 1.00 0.00 C ATOM 1560 CG GLN B 62 -12.840 16.624 -6.610 1.00 0.00 C ATOM 1561 CD GLN B 62 -14.313 16.283 -6.803 1.00 0.00 C ATOM 1562 OE1 GLN B 62 -14.843 16.362 -7.908 1.00 0.00 O ATOM 1563 NE2 GLN B 62 -14.984 15.901 -5.723 1.00 0.00 N ATOM 0 H GLN B 62 -11.166 14.432 -5.839 1.00 0.00 H new ATOM 0 HA GLN B 62 -13.137 14.244 -8.025 1.00 0.00 H new ATOM 0 HB2 GLN B 62 -10.908 16.251 -7.501 1.00 0.00 H new ATOM 0 HB3 GLN B 62 -12.210 16.398 -8.664 1.00 0.00 H new ATOM 0 HG2 GLN B 62 -12.516 16.280 -5.628 1.00 0.00 H new ATOM 0 HG3 GLN B 62 -12.715 17.707 -6.626 1.00 0.00 H new ATOM 0 HE21 GLN B 62 -14.511 15.847 -4.821 1.00 0.00 H new ATOM 0 HE22 GLN B 62 -15.973 15.662 -5.795 1.00 0.00 H new ATOM 1572 N LYS B 63 -11.216 14.142 -9.895 1.00 0.00 N ATOM 1573 CA LYS B 63 -10.511 13.462 -10.975 1.00 0.00 C ATOM 1574 C LYS B 63 -8.999 13.546 -10.969 1.00 0.00 C ATOM 1575 O LYS B 63 -8.348 12.859 -11.742 1.00 0.00 O ATOM 1576 CB LYS B 63 -11.017 14.024 -12.286 1.00 0.00 C ATOM 1577 CG LYS B 63 -10.592 15.485 -12.448 1.00 0.00 C ATOM 1578 CD LYS B 63 -11.305 16.078 -13.657 1.00 0.00 C ATOM 1579 CE LYS B 63 -12.771 16.350 -13.315 1.00 0.00 C ATOM 1580 NZ LYS B 63 -13.473 16.996 -14.438 1.00 0.00 N ATOM 0 H LYS B 63 -11.788 14.921 -10.221 1.00 0.00 H new ATOM 0 HA LYS B 63 -10.725 12.403 -10.831 1.00 0.00 H new ATOM 0 HB2 LYS B 63 -10.628 13.433 -13.115 1.00 0.00 H new ATOM 0 HB3 LYS B 63 -12.104 13.950 -12.324 1.00 0.00 H new ATOM 0 HG2 LYS B 63 -10.840 16.051 -11.550 1.00 0.00 H new ATOM 0 HG3 LYS B 63 -9.512 15.551 -12.578 1.00 0.00 H new ATOM 0 HD2 LYS B 63 -10.816 17.003 -13.961 1.00 0.00 H new ATOM 0 HD3 LYS B 63 -11.241 15.391 -14.501 1.00 0.00 H new ATOM 0 HE2 LYS B 63 -13.268 15.413 -13.064 1.00 0.00 H new ATOM 0 HE3 LYS B 63 -12.828 16.988 -12.433 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 -14.465 17.167 -14.175 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 -13.012 17.901 -14.661 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 -13.438 16.376 -15.272 1.00 0.00 H new ATOM 1594 N GLU B 64 -8.450 14.379 -10.111 1.00 0.00 N ATOM 1595 CA GLU B 64 -7.009 14.513 -9.964 1.00 0.00 C ATOM 1596 C GLU B 64 -6.651 14.756 -8.501 1.00 0.00 C ATOM 1597 O GLU B 64 -5.594 15.307 -8.195 1.00 0.00 O ATOM 1598 CB GLU B 64 -6.482 15.619 -10.884 1.00 0.00 C ATOM 1599 CG GLU B 64 -7.100 16.969 -10.539 1.00 0.00 C ATOM 1600 CD GLU B 64 -6.559 18.069 -11.444 1.00 0.00 C ATOM 1601 OE1 GLU B 64 -7.134 18.254 -12.540 1.00 0.00 O ATOM 1602 OE2 GLU B 64 -5.573 18.723 -11.036 1.00 0.00 O ATOM 0 H GLU B 64 -8.988 14.986 -9.492 1.00 0.00 H new ATOM 0 HA GLU B 64 -6.524 13.585 -10.267 1.00 0.00 H new ATOM 0 HB2 GLU B 64 -5.397 15.681 -10.797 1.00 0.00 H new ATOM 0 HB3 GLU B 64 -6.705 15.369 -11.921 1.00 0.00 H new ATOM 0 HG2 GLU B 64 -8.184 16.912 -10.639 1.00 0.00 H new ATOM 0 HG3 GLU B 64 -6.888 17.214 -9.498 1.00 0.00 H new ATOM 1609 N SER B 65 -7.541 14.342 -7.592 1.00 0.00 N ATOM 1610 CA SER B 65 -7.317 14.552 -6.161 1.00 0.00 C ATOM 1611 C SER B 65 -6.091 13.811 -5.617 1.00 0.00 C ATOM 1612 O SER B 65 -5.685 14.072 -4.485 1.00 0.00 O ATOM 1613 CB SER B 65 -8.556 14.143 -5.371 1.00 0.00 C ATOM 1614 OG SER B 65 -9.556 15.123 -5.539 1.00 0.00 O ATOM 0 H SER B 65 -8.413 13.865 -7.820 1.00 0.00 H new ATOM 0 HA SER B 65 -7.120 15.617 -6.036 1.00 0.00 H new ATOM 0 HB2 SER B 65 -8.918 13.174 -5.715 1.00 0.00 H new ATOM 0 HB3 SER B 65 -8.309 14.035 -4.315 1.00 0.00 H new ATOM 0 HG SER B 65 -9.908 15.385 -4.663 1.00 0.00 H new ATOM 1620 N THR B 66 -5.507 12.905 -6.410 1.00 0.00 N ATOM 1621 CA THR B 66 -4.330 12.112 -6.054 1.00 0.00 C ATOM 1622 C THR B 66 -4.584 11.180 -4.868 1.00 0.00 C ATOM 1623 O THR B 66 -5.390 11.463 -3.985 1.00 0.00 O ATOM 1624 CB THR B 66 -3.139 13.045 -5.781 1.00 0.00 C ATOM 1625 OG1 THR B 66 -2.944 13.890 -6.895 1.00 0.00 O ATOM 1626 CG2 THR B 66 -1.827 12.298 -5.522 1.00 0.00 C ATOM 0 H THR B 66 -5.854 12.699 -7.347 1.00 0.00 H new ATOM 0 HA THR B 66 -4.096 11.468 -6.901 1.00 0.00 H new ATOM 0 HB THR B 66 -3.388 13.605 -4.880 1.00 0.00 H new ATOM 0 HG1 THR B 66 -2.186 14.488 -6.724 1.00 0.00 H new ATOM 0 HG21 THR B 66 -1.029 13.017 -5.337 1.00 0.00 H new ATOM 0 HG22 THR B 66 -1.942 11.652 -4.652 1.00 0.00 H new ATOM 0 HG23 THR B 66 -1.575 11.693 -6.393 1.00 0.00 H new ATOM 1634 N LEU B 67 -3.874 10.050 -4.859 1.00 0.00 N ATOM 1635 CA LEU B 67 -3.882 9.065 -3.786 1.00 0.00 C ATOM 1636 C LEU B 67 -2.485 8.465 -3.693 1.00 0.00 C ATOM 1637 O LEU B 67 -1.600 8.811 -4.478 1.00 0.00 O ATOM 1638 CB LEU B 67 -4.897 7.942 -4.054 1.00 0.00 C ATOM 1639 CG LEU B 67 -6.351 8.376 -3.843 1.00 0.00 C ATOM 1640 CD1 LEU B 67 -6.980 8.828 -5.156 1.00 0.00 C ATOM 1641 CD2 LEU B 67 -7.161 7.197 -3.311 1.00 0.00 C ATOM 0 H LEU B 67 -3.257 9.790 -5.628 1.00 0.00 H new ATOM 0 HA LEU B 67 -4.169 9.555 -2.856 1.00 0.00 H new ATOM 0 HB2 LEU B 67 -4.776 7.589 -5.078 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -4.678 7.099 -3.398 1.00 0.00 H new ATOM 0 HG LEU B 67 -6.357 9.204 -3.134 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -8.012 9.131 -4.980 1.00 0.00 H new ATOM 0 HD12 LEU B 67 -6.418 9.671 -5.558 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -6.960 8.005 -5.871 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -8.196 7.505 -3.161 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -7.127 6.378 -4.030 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -6.740 6.865 -2.362 1.00 0.00 H new ATOM 1653 N HIS B 68 -2.274 7.561 -2.736 1.00 0.00 N ATOM 1654 CA HIS B 68 -1.009 6.873 -2.595 1.00 0.00 C ATOM 1655 C HIS B 68 -1.265 5.381 -2.586 1.00 0.00 C ATOM 1656 O HIS B 68 -2.388 4.934 -2.352 1.00 0.00 O ATOM 1657 CB HIS B 68 -0.332 7.287 -1.292 1.00 0.00 C ATOM 1658 CG HIS B 68 0.085 8.731 -1.274 1.00 0.00 C ATOM 1659 ND1 HIS B 68 -0.694 9.802 -0.825 1.00 0.00 N ATOM 1660 CD2 HIS B 68 1.294 9.200 -1.698 1.00 0.00 C ATOM 1661 CE1 HIS B 68 0.072 10.893 -0.994 1.00 0.00 C ATOM 1662 NE2 HIS B 68 1.267 10.564 -1.514 1.00 0.00 N ATOM 0 H HIS B 68 -2.975 7.293 -2.046 1.00 0.00 H new ATOM 0 HA HIS B 68 -0.355 7.133 -3.427 1.00 0.00 H new ATOM 0 HB2 HIS B 68 -1.013 7.102 -0.461 1.00 0.00 H new ATOM 0 HB3 HIS B 68 0.545 6.660 -1.131 1.00 0.00 H new ATOM 0 HD2 HIS B 68 2.110 8.617 -2.098 1.00 0.00 H new ATOM 0 HE1 HIS B 68 -0.232 11.899 -0.745 1.00 0.00 H new ATOM 0 HE2 HIS B 68 2.023 11.213 -1.734 1.00 0.00 H new ATOM 1670 N LEU B 69 -0.209 4.617 -2.841 1.00 0.00 N ATOM 1671 CA LEU B 69 -0.284 3.175 -2.830 1.00 0.00 C ATOM 1672 C LEU B 69 0.891 2.625 -2.037 1.00 0.00 C ATOM 1673 O LEU B 69 2.017 3.101 -2.166 1.00 0.00 O ATOM 1674 CB LEU B 69 -0.291 2.683 -4.275 1.00 0.00 C ATOM 1675 CG LEU B 69 -0.872 1.277 -4.410 1.00 0.00 C ATOM 1676 CD1 LEU B 69 -2.347 1.279 -4.010 1.00 0.00 C ATOM 1677 CD2 LEU B 69 -0.756 0.838 -5.867 1.00 0.00 C ATOM 0 H LEU B 69 0.717 4.986 -3.060 1.00 0.00 H new ATOM 0 HA LEU B 69 -1.197 2.825 -2.348 1.00 0.00 H new ATOM 0 HB2 LEU B 69 -0.871 3.373 -4.888 1.00 0.00 H new ATOM 0 HB3 LEU B 69 0.727 2.691 -4.663 1.00 0.00 H new ATOM 0 HG LEU B 69 -0.325 0.595 -3.760 1.00 0.00 H new ATOM 0 HD11 LEU B 69 -2.752 0.272 -4.110 1.00 0.00 H new ATOM 0 HD12 LEU B 69 -2.443 1.608 -2.975 1.00 0.00 H new ATOM 0 HD13 LEU B 69 -2.899 1.958 -4.659 1.00 0.00 H new ATOM 0 HD21 LEU B 69 -1.167 -0.165 -5.979 1.00 0.00 H new ATOM 0 HD22 LEU B 69 -1.310 1.530 -6.501 1.00 0.00 H new ATOM 0 HD23 LEU B 69 0.293 0.835 -6.164 1.00 0.00 H new ATOM 1689 N VAL B 70 0.611 1.616 -1.215 1.00 0.00 N ATOM 1690 CA VAL B 70 1.585 1.020 -0.318 1.00 0.00 C ATOM 1691 C VAL B 70 1.287 -0.472 -0.214 1.00 0.00 C ATOM 1692 O VAL B 70 0.596 -0.933 0.693 1.00 0.00 O ATOM 1693 CB VAL B 70 1.598 1.785 1.015 1.00 0.00 C ATOM 1694 CG1 VAL B 70 0.200 2.044 1.583 1.00 0.00 C ATOM 1695 CG2 VAL B 70 2.457 1.064 2.054 1.00 0.00 C ATOM 0 H VAL B 70 -0.313 1.187 -1.156 1.00 0.00 H new ATOM 0 HA VAL B 70 2.604 1.103 -0.696 1.00 0.00 H new ATOM 0 HB VAL B 70 2.035 2.758 0.792 1.00 0.00 H new ATOM 0 HG11 VAL B 70 0.285 2.588 2.524 1.00 0.00 H new ATOM 0 HG12 VAL B 70 -0.377 2.636 0.873 1.00 0.00 H new ATOM 0 HG13 VAL B 70 -0.304 1.093 1.757 1.00 0.00 H new ATOM 0 HG21 VAL B 70 2.448 1.627 2.987 1.00 0.00 H new ATOM 0 HG22 VAL B 70 2.055 0.066 2.229 1.00 0.00 H new ATOM 0 HG23 VAL B 70 3.481 0.984 1.688 1.00 0.00 H new ATOM 1705 N LEU B 71 1.825 -1.220 -1.181 1.00 0.00 N ATOM 1706 CA LEU B 71 1.587 -2.645 -1.337 1.00 0.00 C ATOM 1707 C LEU B 71 2.024 -3.441 -0.113 1.00 0.00 C ATOM 1708 O LEU B 71 2.760 -2.939 0.738 1.00 0.00 O ATOM 1709 CB LEU B 71 2.335 -3.139 -2.579 1.00 0.00 C ATOM 1710 CG LEU B 71 2.016 -2.310 -3.828 1.00 0.00 C ATOM 1711 CD1 LEU B 71 2.673 -2.963 -5.042 1.00 0.00 C ATOM 1712 CD2 LEU B 71 0.509 -2.220 -4.056 1.00 0.00 C ATOM 0 H LEU B 71 2.451 -0.837 -1.889 1.00 0.00 H new ATOM 0 HA LEU B 71 0.514 -2.800 -1.451 1.00 0.00 H new ATOM 0 HB2 LEU B 71 3.408 -3.106 -2.390 1.00 0.00 H new ATOM 0 HB3 LEU B 71 2.076 -4.182 -2.764 1.00 0.00 H new ATOM 0 HG LEU B 71 2.403 -1.301 -3.684 1.00 0.00 H new ATOM 0 HD11 LEU B 71 2.450 -2.378 -5.935 1.00 0.00 H new ATOM 0 HD12 LEU B 71 3.752 -3.003 -4.894 1.00 0.00 H new ATOM 0 HD13 LEU B 71 2.286 -3.975 -5.165 1.00 0.00 H new ATOM 0 HD21 LEU B 71 0.311 -1.626 -4.948 1.00 0.00 H new ATOM 0 HD22 LEU B 71 0.101 -3.222 -4.189 1.00 0.00 H new ATOM 0 HD23 LEU B 71 0.038 -1.747 -3.194 1.00 0.00 H new ATOM 1724 N ARG B 72 1.564 -4.694 -0.027 1.00 0.00 N ATOM 1725 CA ARG B 72 1.937 -5.589 1.058 1.00 0.00 C ATOM 1726 C ARG B 72 3.158 -6.437 0.699 1.00 0.00 C ATOM 1727 O ARG B 72 3.641 -7.188 1.539 1.00 0.00 O ATOM 1728 CB ARG B 72 0.746 -6.468 1.431 1.00 0.00 C ATOM 1729 CG ARG B 72 -0.350 -5.632 2.092 1.00 0.00 C ATOM 1730 CD ARG B 72 -1.277 -6.529 2.907 1.00 0.00 C ATOM 1731 NE ARG B 72 -1.803 -7.633 2.100 1.00 0.00 N ATOM 1732 CZ ARG B 72 -2.475 -8.672 2.607 1.00 0.00 C ATOM 1733 NH1 ARG B 72 -2.726 -8.746 3.913 1.00 0.00 N ATOM 1734 NH2 ARG B 72 -2.902 -9.648 1.810 1.00 0.00 N ATOM 0 H ARG B 72 0.926 -5.108 -0.707 1.00 0.00 H new ATOM 0 HA ARG B 72 2.216 -4.985 1.921 1.00 0.00 H new ATOM 0 HB2 ARG B 72 0.352 -6.955 0.539 1.00 0.00 H new ATOM 0 HB3 ARG B 72 1.068 -7.258 2.109 1.00 0.00 H new ATOM 0 HG2 ARG B 72 0.098 -4.877 2.738 1.00 0.00 H new ATOM 0 HG3 ARG B 72 -0.922 -5.101 1.331 1.00 0.00 H new ATOM 0 HD2 ARG B 72 -0.736 -6.929 3.764 1.00 0.00 H new ATOM 0 HD3 ARG B 72 -2.104 -5.938 3.300 1.00 0.00 H new ATOM 0 HE ARG B 72 -1.647 -7.608 1.092 1.00 0.00 H new ATOM 0 HH11 ARG B 72 -2.405 -8.006 4.537 1.00 0.00 H new ATOM 0 HH12 ARG B 72 -3.239 -9.543 4.289 1.00 0.00 H new ATOM 0 HH21 ARG B 72 -2.717 -9.606 0.808 1.00 0.00 H new ATOM 0 HH22 ARG B 72 -3.414 -10.439 2.201 1.00 0.00 H new ATOM 1748 N LEU B 73 3.647 -6.316 -0.539 1.00 0.00 N ATOM 1749 CA LEU B 73 4.789 -7.031 -1.108 1.00 0.00 C ATOM 1750 C LEU B 73 4.690 -8.562 -1.049 1.00 0.00 C ATOM 1751 O LEU B 73 4.647 -9.183 -2.108 1.00 0.00 O ATOM 1752 CB LEU B 73 6.107 -6.561 -0.478 1.00 0.00 C ATOM 1753 CG LEU B 73 6.564 -5.139 -0.839 1.00 0.00 C ATOM 1754 CD1 LEU B 73 6.653 -4.947 -2.351 1.00 0.00 C ATOM 1755 CD2 LEU B 73 5.654 -4.059 -0.254 1.00 0.00 C ATOM 0 H LEU B 73 3.227 -5.674 -1.212 1.00 0.00 H new ATOM 0 HA LEU B 73 4.772 -6.776 -2.168 1.00 0.00 H new ATOM 0 HB2 LEU B 73 6.010 -6.625 0.606 1.00 0.00 H new ATOM 0 HB3 LEU B 73 6.893 -7.258 -0.769 1.00 0.00 H new ATOM 0 HG LEU B 73 7.554 -5.028 -0.397 1.00 0.00 H new ATOM 0 HD11 LEU B 73 6.979 -3.930 -2.570 1.00 0.00 H new ATOM 0 HD12 LEU B 73 7.370 -5.655 -2.766 1.00 0.00 H new ATOM 0 HD13 LEU B 73 5.674 -5.118 -2.798 1.00 0.00 H new ATOM 0 HD21 LEU B 73 6.025 -3.075 -0.541 1.00 0.00 H new ATOM 0 HD22 LEU B 73 4.642 -4.190 -0.636 1.00 0.00 H new ATOM 0 HD23 LEU B 73 5.645 -4.140 0.833 1.00 0.00 H new