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 Set 1.1: B 6 LYS NZ :NH3+ -174:sc= 1.62 (180deg=0.92) USER MOD Set 1.2: B 12 THR OG1 : rot 180:sc= 0.549 USER MOD Single : A 688 GLN :FLIP amide:sc= -0.343 F(o=-4!,f=-0.34) USER MOD Single : A 691 TYR OH : rot 180:sc= 0 USER MOD Single : A 698 GLN :FLIP amide:sc= -0.106 F(o=-3.5!,f=-0.11) USER MOD Single : A 699 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0883) USER MOD Single : A 702 MET CE :methyl 160:sc= -3.43 (180deg=-4.68) USER MOD Single : B 1 MET CE :methyl -161:sc= 0 (180deg=-0.112) USER MOD Single : B 1 MET N :NH3+ -142:sc= 1.41 (180deg=0.451) USER MOD Single : B 2 GLN : amide:sc= -1.45 X(o=-1.5,f=-1.9) USER MOD Single : B 7 THR OG1 : rot 180:sc= 0.00387 USER MOD Single : B 9 THR OG1 : rot 180:sc= 0 USER MOD Single : B 11 LYS NZ :NH3+ -116:sc= 0.437 (180deg=-0.22) USER MOD Single : B 14 THR OG1 : rot 180:sc=-0.00353 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 22 THR OG1 : rot 180:sc= -0.183 USER MOD Single : B 25 ASN : amide:sc= -0.0546 X(o=-0.055,f=-0.24) USER MOD Single : B 27 LYS NZ :NH3+ -136:sc= 0.148 (180deg=0) USER MOD Single : B 29 LYS NZ :NH3+ -167:sc= 1.06 (180deg=0.932) USER MOD Single : B 31 GLN : amide:sc= -2.22 K(o=-2.2,f=-5.7!) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 GLN : amide:sc= 1.02 K(o=1,f=-0.6) USER MOD Single : B 41 GLN : amide:sc= -0.114 K(o=-0.11,f=-4.2!) USER MOD Single : B 48 LYS NZ :NH3+ -162:sc= -0.0282 (180deg=-0.272) USER MOD Single : B 49 GLN : amide:sc= -3.77! C(o=-3.8!,f=-4.2!) 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 150:sc= -2.65 USER MOD Single : B 60 ASN : amide:sc= -0.215 X(o=-0.21,f=-0.27) USER MOD Single : B 62 GLN : amide:sc= 0.938 K(o=0.94,f=-0.069) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 SER OG : rot -120:sc= 0.535 USER MOD Single : B 66 THR OG1 : rot 180:sc= 0 USER MOD Single : B 68 HIS : no HD1:sc=-0.00112 X(o=-0.0011,f=0) USER MOD ----------------------------------------------------------------- ATOM 63 N LEU A 679 18.441 -2.760 4.246 1.00 0.00 N ATOM 64 CA LEU A 679 17.111 -3.031 3.749 1.00 0.00 C ATOM 65 C LEU A 679 17.119 -3.200 2.220 1.00 0.00 C ATOM 66 O LEU A 679 18.125 -2.914 1.574 1.00 0.00 O ATOM 67 CB LEU A 679 16.191 -1.912 4.231 1.00 0.00 C ATOM 68 CG LEU A 679 16.424 -1.533 5.701 1.00 0.00 C ATOM 69 CD1 LEU A 679 15.372 -0.529 6.142 1.00 0.00 C ATOM 70 CD2 LEU A 679 16.319 -2.754 6.613 1.00 0.00 C ATOM 0 HA LEU A 679 16.735 -3.977 4.139 1.00 0.00 H new ATOM 0 HB2 LEU A 679 16.342 -1.031 3.607 1.00 0.00 H new ATOM 0 HB3 LEU A 679 15.154 -2.221 4.101 1.00 0.00 H new ATOM 0 HG LEU A 679 17.426 -1.110 5.778 1.00 0.00 H new ATOM 0 HD11 LEU A 679 15.539 -0.261 7.185 1.00 0.00 H new ATOM 0 HD12 LEU A 679 15.440 0.365 5.523 1.00 0.00 H new ATOM 0 HD13 LEU A 679 14.381 -0.970 6.035 1.00 0.00 H new ATOM 0 HD21 LEU A 679 16.489 -2.452 7.646 1.00 0.00 H new ATOM 0 HD22 LEU A 679 15.325 -3.192 6.522 1.00 0.00 H new ATOM 0 HD23 LEU A 679 17.068 -3.491 6.322 1.00 0.00 H new ATOM 82 N PRO A 680 16.004 -3.663 1.636 1.00 0.00 N ATOM 83 CA PRO A 680 15.864 -4.062 0.237 1.00 0.00 C ATOM 84 C PRO A 680 16.118 -2.973 -0.810 1.00 0.00 C ATOM 85 O PRO A 680 15.784 -3.163 -1.978 1.00 0.00 O ATOM 86 CB PRO A 680 14.438 -4.606 0.106 1.00 0.00 C ATOM 87 CG PRO A 680 14.051 -4.969 1.538 1.00 0.00 C ATOM 88 CD PRO A 680 14.761 -3.889 2.336 1.00 0.00 C ATOM 0 HA PRO A 680 16.642 -4.793 0.018 1.00 0.00 H new ATOM 0 HB2 PRO A 680 13.763 -3.860 -0.314 1.00 0.00 H new ATOM 0 HB3 PRO A 680 14.401 -5.475 -0.551 1.00 0.00 H new ATOM 0 HG2 PRO A 680 12.972 -4.945 1.688 1.00 0.00 H new ATOM 0 HG3 PRO A 680 14.389 -5.968 1.812 1.00 0.00 H new ATOM 0 HD2 PRO A 680 14.164 -2.978 2.385 1.00 0.00 H new ATOM 0 HD3 PRO A 680 14.939 -4.209 3.363 1.00 0.00 H new ATOM 96 N PHE A 681 16.699 -1.842 -0.410 1.00 0.00 N ATOM 97 CA PHE A 681 17.014 -0.734 -1.301 1.00 0.00 C ATOM 98 C PHE A 681 18.110 -1.128 -2.296 1.00 0.00 C ATOM 99 O PHE A 681 18.831 -2.099 -2.067 1.00 0.00 O ATOM 100 CB PHE A 681 17.512 0.444 -0.457 1.00 0.00 C ATOM 101 CG PHE A 681 16.519 0.959 0.557 1.00 0.00 C ATOM 102 CD1 PHE A 681 15.232 1.338 0.153 1.00 0.00 C ATOM 103 CD2 PHE A 681 16.892 1.074 1.903 1.00 0.00 C ATOM 104 CE1 PHE A 681 14.316 1.821 1.098 1.00 0.00 C ATOM 105 CE2 PHE A 681 15.977 1.561 2.846 1.00 0.00 C ATOM 106 CZ PHE A 681 14.687 1.926 2.442 1.00 0.00 C ATOM 0 H PHE A 681 16.967 -1.671 0.559 1.00 0.00 H new ATOM 0 HA PHE A 681 16.118 -0.463 -1.859 1.00 0.00 H new ATOM 0 HB2 PHE A 681 18.420 0.141 0.065 1.00 0.00 H new ATOM 0 HB3 PHE A 681 17.786 1.261 -1.124 1.00 0.00 H new ATOM 0 HD1 PHE A 681 14.946 1.258 -0.885 1.00 0.00 H new ATOM 0 HD2 PHE A 681 17.886 0.787 2.214 1.00 0.00 H new ATOM 0 HE1 PHE A 681 13.323 2.112 0.788 1.00 0.00 H new ATOM 0 HE2 PHE A 681 16.266 1.655 3.882 1.00 0.00 H new ATOM 0 HZ PHE A 681 13.977 2.289 3.170 1.00 0.00 H new ATOM 116 N PRO A 682 18.256 -0.384 -3.403 1.00 0.00 N ATOM 117 CA PRO A 682 17.375 0.682 -3.858 1.00 0.00 C ATOM 118 C PRO A 682 16.169 0.266 -4.724 1.00 0.00 C ATOM 119 O PRO A 682 15.333 1.133 -4.971 1.00 0.00 O ATOM 120 CB PRO A 682 18.293 1.560 -4.707 1.00 0.00 C ATOM 121 CG PRO A 682 19.185 0.527 -5.395 1.00 0.00 C ATOM 122 CD PRO A 682 19.390 -0.519 -4.301 1.00 0.00 C ATOM 0 HA PRO A 682 16.915 1.146 -2.985 1.00 0.00 H new ATOM 0 HB2 PRO A 682 17.733 2.158 -5.426 1.00 0.00 H new ATOM 0 HB3 PRO A 682 18.871 2.254 -4.097 1.00 0.00 H new ATOM 0 HG2 PRO A 682 18.707 0.102 -6.277 1.00 0.00 H new ATOM 0 HG3 PRO A 682 20.130 0.961 -5.723 1.00 0.00 H new ATOM 0 HD2 PRO A 682 19.436 -1.523 -4.724 1.00 0.00 H new ATOM 0 HD3 PRO A 682 20.329 -0.353 -3.772 1.00 0.00 H new ATOM 130 N PRO A 683 16.003 -0.979 -5.210 1.00 0.00 N ATOM 131 CA PRO A 683 14.911 -1.286 -6.121 1.00 0.00 C ATOM 132 C PRO A 683 13.563 -1.392 -5.410 1.00 0.00 C ATOM 133 O PRO A 683 13.492 -1.469 -4.185 1.00 0.00 O ATOM 134 CB PRO A 683 15.280 -2.622 -6.761 1.00 0.00 C ATOM 135 CG PRO A 683 16.030 -3.322 -5.634 1.00 0.00 C ATOM 136 CD PRO A 683 16.806 -2.171 -4.997 1.00 0.00 C ATOM 0 HA PRO A 683 14.791 -0.487 -6.853 1.00 0.00 H new ATOM 0 HB2 PRO A 683 14.398 -3.182 -7.072 1.00 0.00 H new ATOM 0 HB3 PRO A 683 15.903 -2.491 -7.646 1.00 0.00 H new ATOM 0 HG2 PRO A 683 15.350 -3.796 -4.926 1.00 0.00 H new ATOM 0 HG3 PRO A 683 16.693 -4.101 -6.009 1.00 0.00 H new ATOM 0 HD2 PRO A 683 16.965 -2.349 -3.933 1.00 0.00 H new ATOM 0 HD3 PRO A 683 17.790 -2.065 -5.453 1.00 0.00 H new ATOM 144 N ASP A 684 12.499 -1.396 -6.222 1.00 0.00 N ATOM 145 CA ASP A 684 11.095 -1.565 -5.852 1.00 0.00 C ATOM 146 C ASP A 684 10.521 -0.557 -4.848 1.00 0.00 C ATOM 147 O ASP A 684 9.300 -0.448 -4.755 1.00 0.00 O ATOM 148 CB ASP A 684 10.864 -3.000 -5.367 1.00 0.00 C ATOM 149 CG ASP A 684 11.272 -4.023 -6.426 1.00 0.00 C ATOM 150 OD1 ASP A 684 10.656 -4.006 -7.515 1.00 0.00 O ATOM 151 OD2 ASP A 684 12.200 -4.813 -6.139 1.00 0.00 O ATOM 0 H ASP A 684 12.609 -1.272 -7.228 1.00 0.00 H new ATOM 0 HA ASP A 684 10.540 -1.356 -6.767 1.00 0.00 H new ATOM 0 HB2 ASP A 684 11.434 -3.173 -4.454 1.00 0.00 H new ATOM 0 HB3 ASP A 684 9.812 -3.135 -5.116 1.00 0.00 H new ATOM 156 N ILE A 685 11.353 0.179 -4.103 1.00 0.00 N ATOM 157 CA ILE A 685 10.878 1.161 -3.137 1.00 0.00 C ATOM 158 C ILE A 685 11.931 2.229 -2.859 1.00 0.00 C ATOM 159 O ILE A 685 13.102 2.095 -3.207 1.00 0.00 O ATOM 160 CB ILE A 685 10.507 0.516 -1.785 1.00 0.00 C ATOM 161 CG1 ILE A 685 11.240 -0.795 -1.477 1.00 0.00 C ATOM 162 CG2 ILE A 685 8.996 0.335 -1.658 1.00 0.00 C ATOM 163 CD1 ILE A 685 12.656 -0.485 -1.006 1.00 0.00 C ATOM 0 H ILE A 685 12.369 0.107 -4.156 1.00 0.00 H new ATOM 0 HA ILE A 685 9.992 1.608 -3.588 1.00 0.00 H new ATOM 0 HB ILE A 685 10.852 1.224 -1.031 1.00 0.00 H new ATOM 0 HG12 ILE A 685 10.704 -1.353 -0.709 1.00 0.00 H new ATOM 0 HG13 ILE A 685 11.270 -1.425 -2.366 1.00 0.00 H new ATOM 0 HG21 ILE A 685 8.764 -0.121 -0.696 1.00 0.00 H new ATOM 0 HG22 ILE A 685 8.506 1.306 -1.726 1.00 0.00 H new ATOM 0 HG23 ILE A 685 8.638 -0.309 -2.461 1.00 0.00 H new ATOM 0 HD11 ILE A 685 13.178 -1.416 -0.787 1.00 0.00 H new ATOM 0 HD12 ILE A 685 13.190 0.055 -1.788 1.00 0.00 H new ATOM 0 HD13 ILE A 685 12.614 0.128 -0.106 1.00 0.00 H new ATOM 175 N ASP A 686 11.469 3.295 -2.209 1.00 0.00 N ATOM 176 CA ASP A 686 12.282 4.350 -1.637 1.00 0.00 C ATOM 177 C ASP A 686 11.567 4.757 -0.356 1.00 0.00 C ATOM 178 O ASP A 686 10.342 4.881 -0.357 1.00 0.00 O ATOM 179 CB ASP A 686 12.388 5.537 -2.593 1.00 0.00 C ATOM 180 CG ASP A 686 13.083 5.170 -3.902 1.00 0.00 C ATOM 181 OD1 ASP A 686 14.335 5.139 -3.902 1.00 0.00 O ATOM 182 OD2 ASP A 686 12.359 4.920 -4.893 1.00 0.00 O ATOM 0 H ASP A 686 10.471 3.448 -2.064 1.00 0.00 H new ATOM 0 HA ASP A 686 13.302 4.014 -1.447 1.00 0.00 H new ATOM 0 HB2 ASP A 686 11.389 5.916 -2.809 1.00 0.00 H new ATOM 0 HB3 ASP A 686 12.937 6.344 -2.107 1.00 0.00 H new ATOM 187 N PRO A 687 12.293 4.968 0.745 1.00 0.00 N ATOM 188 CA PRO A 687 11.660 5.181 2.026 1.00 0.00 C ATOM 189 C PRO A 687 10.985 6.543 2.056 1.00 0.00 C ATOM 190 O PRO A 687 10.094 6.779 2.859 1.00 0.00 O ATOM 191 CB PRO A 687 12.780 5.051 3.051 1.00 0.00 C ATOM 192 CG PRO A 687 14.056 5.395 2.284 1.00 0.00 C ATOM 193 CD PRO A 687 13.740 5.013 0.836 1.00 0.00 C ATOM 0 HA PRO A 687 10.869 4.462 2.237 1.00 0.00 H new ATOM 0 HB2 PRO A 687 12.628 5.730 3.890 1.00 0.00 H new ATOM 0 HB3 PRO A 687 12.825 4.042 3.461 1.00 0.00 H new ATOM 0 HG2 PRO A 687 14.300 6.454 2.372 1.00 0.00 H new ATOM 0 HG3 PRO A 687 14.912 4.838 2.665 1.00 0.00 H new ATOM 0 HD2 PRO A 687 14.153 5.743 0.140 1.00 0.00 H new ATOM 0 HD3 PRO A 687 14.178 4.048 0.582 1.00 0.00 H new ATOM 201 N GLN A 688 11.409 7.437 1.167 1.00 0.00 N ATOM 202 CA GLN A 688 10.846 8.771 0.999 1.00 0.00 C ATOM 203 C GLN A 688 9.503 8.711 0.280 1.00 0.00 C ATOM 204 O GLN A 688 8.959 9.752 -0.090 1.00 0.00 O ATOM 205 CB GLN A 688 11.812 9.643 0.196 1.00 0.00 C ATOM 206 CG GLN A 688 12.444 8.841 -0.945 1.00 0.00 C ATOM 207 CD GLN A 688 13.917 8.576 -0.658 1.00 0.00 C ATOM 208 OE1 GLN A 688 14.215 8.115 0.555 1.00 0.00 O flip ATOM 209 NE2 GLN A 688 14.775 8.784 -1.509 1.00 0.00 N flip ATOM 0 H GLN A 688 12.178 7.246 0.524 1.00 0.00 H new ATOM 0 HA GLN A 688 10.692 9.202 1.988 1.00 0.00 H new ATOM 0 HB2 GLN A 688 11.281 10.505 -0.209 1.00 0.00 H new ATOM 0 HB3 GLN A 688 12.592 10.029 0.852 1.00 0.00 H new ATOM 0 HG2 GLN A 688 11.916 7.896 -1.069 1.00 0.00 H new ATOM 0 HG3 GLN A 688 12.343 9.388 -1.882 1.00 0.00 H new ATOM 0 HE21 GLN A 688 14.507 9.138 -2.427 1.00 0.00 H new ATOM 0 HE22 GLN A 688 15.757 8.603 -1.298 1.00 0.00 H new ATOM 218 N VAL A 689 8.961 7.508 0.074 1.00 0.00 N ATOM 219 CA VAL A 689 7.708 7.340 -0.629 1.00 0.00 C ATOM 220 C VAL A 689 6.752 6.536 0.257 1.00 0.00 C ATOM 221 O VAL A 689 5.604 6.300 -0.109 1.00 0.00 O ATOM 222 CB VAL A 689 7.972 6.703 -2.000 1.00 0.00 C ATOM 223 CG1 VAL A 689 6.712 6.722 -2.862 1.00 0.00 C ATOM 224 CG2 VAL A 689 9.037 7.498 -2.758 1.00 0.00 C ATOM 0 H VAL A 689 9.383 6.635 0.391 1.00 0.00 H new ATOM 0 HA VAL A 689 7.227 8.298 -0.828 1.00 0.00 H new ATOM 0 HB VAL A 689 8.298 5.679 -1.820 1.00 0.00 H new ATOM 0 HG11 VAL A 689 6.925 6.265 -3.828 1.00 0.00 H new ATOM 0 HG12 VAL A 689 5.921 6.162 -2.363 1.00 0.00 H new ATOM 0 HG13 VAL A 689 6.389 7.752 -3.011 1.00 0.00 H new ATOM 0 HG21 VAL A 689 9.214 7.035 -3.729 1.00 0.00 H new ATOM 0 HG22 VAL A 689 8.693 8.522 -2.902 1.00 0.00 H new ATOM 0 HG23 VAL A 689 9.964 7.504 -2.184 1.00 0.00 H new ATOM 234 N PHE A 690 7.230 6.118 1.437 1.00 0.00 N ATOM 235 CA PHE A 690 6.378 5.511 2.452 1.00 0.00 C ATOM 236 C PHE A 690 6.587 6.118 3.844 1.00 0.00 C ATOM 237 O PHE A 690 5.754 5.921 4.720 1.00 0.00 O ATOM 238 CB PHE A 690 6.519 3.993 2.422 1.00 0.00 C ATOM 239 CG PHE A 690 7.877 3.407 2.730 1.00 0.00 C ATOM 240 CD1 PHE A 690 8.295 3.248 4.060 1.00 0.00 C ATOM 241 CD2 PHE A 690 8.698 2.983 1.680 1.00 0.00 C ATOM 242 CE1 PHE A 690 9.528 2.639 4.340 1.00 0.00 C ATOM 243 CE2 PHE A 690 9.932 2.383 1.959 1.00 0.00 C ATOM 244 CZ PHE A 690 10.346 2.209 3.289 1.00 0.00 C ATOM 0 H PHE A 690 8.211 6.193 1.707 1.00 0.00 H new ATOM 0 HA PHE A 690 5.342 5.744 2.207 1.00 0.00 H new ATOM 0 HB2 PHE A 690 5.805 3.576 3.132 1.00 0.00 H new ATOM 0 HB3 PHE A 690 6.222 3.648 1.432 1.00 0.00 H new ATOM 0 HD1 PHE A 690 7.668 3.594 4.868 1.00 0.00 H new ATOM 0 HD2 PHE A 690 8.381 3.118 0.656 1.00 0.00 H new ATOM 0 HE1 PHE A 690 9.845 2.503 5.363 1.00 0.00 H new ATOM 0 HE2 PHE A 690 10.566 2.053 1.149 1.00 0.00 H new ATOM 0 HZ PHE A 690 11.297 1.743 3.501 1.00 0.00 H new ATOM 254 N TYR A 691 7.682 6.855 4.060 1.00 0.00 N ATOM 255 CA TYR A 691 7.875 7.714 5.223 1.00 0.00 C ATOM 256 C TYR A 691 6.887 8.887 5.159 1.00 0.00 C ATOM 257 O TYR A 691 6.718 9.613 6.137 1.00 0.00 O ATOM 258 CB TYR A 691 9.304 8.277 5.239 1.00 0.00 C ATOM 259 CG TYR A 691 10.403 7.312 5.653 1.00 0.00 C ATOM 260 CD1 TYR A 691 10.085 6.066 6.216 1.00 0.00 C ATOM 261 CD2 TYR A 691 11.750 7.677 5.489 1.00 0.00 C ATOM 262 CE1 TYR A 691 11.097 5.219 6.682 1.00 0.00 C ATOM 263 CE2 TYR A 691 12.770 6.840 5.970 1.00 0.00 C ATOM 264 CZ TYR A 691 12.446 5.607 6.574 1.00 0.00 C ATOM 265 OH TYR A 691 13.435 4.794 7.040 1.00 0.00 O ATOM 0 H TYR A 691 8.472 6.868 3.415 1.00 0.00 H new ATOM 0 HA TYR A 691 7.707 7.125 6.124 1.00 0.00 H new ATOM 0 HB2 TYR A 691 9.535 8.652 4.242 1.00 0.00 H new ATOM 0 HB3 TYR A 691 9.327 9.132 5.914 1.00 0.00 H new ATOM 0 HD1 TYR A 691 9.052 5.759 6.290 1.00 0.00 H new ATOM 0 HD2 TYR A 691 12.001 8.603 4.992 1.00 0.00 H new ATOM 0 HE1 TYR A 691 10.843 4.267 7.125 1.00 0.00 H new ATOM 0 HE2 TYR A 691 13.803 7.141 5.877 1.00 0.00 H new ATOM 0 HH TYR A 691 14.306 5.216 6.884 1.00 0.00 H new ATOM 275 N GLU A 692 6.236 9.069 4.004 1.00 0.00 N ATOM 276 CA GLU A 692 5.217 10.089 3.758 1.00 0.00 C ATOM 277 C GLU A 692 3.900 9.730 4.454 1.00 0.00 C ATOM 278 O GLU A 692 2.824 10.144 4.026 1.00 0.00 O ATOM 279 CB GLU A 692 4.997 10.216 2.246 1.00 0.00 C ATOM 280 CG GLU A 692 6.288 10.599 1.520 1.00 0.00 C ATOM 281 CD GLU A 692 6.818 11.952 1.989 1.00 0.00 C ATOM 282 OE1 GLU A 692 6.248 12.976 1.547 1.00 0.00 O ATOM 283 OE2 GLU A 692 7.782 11.958 2.784 1.00 0.00 O ATOM 0 H GLU A 692 6.413 8.486 3.186 1.00 0.00 H new ATOM 0 HA GLU A 692 5.560 11.040 4.166 1.00 0.00 H new ATOM 0 HB2 GLU A 692 4.623 9.271 1.851 1.00 0.00 H new ATOM 0 HB3 GLU A 692 4.232 10.968 2.051 1.00 0.00 H new ATOM 0 HG2 GLU A 692 7.044 9.832 1.692 1.00 0.00 H new ATOM 0 HG3 GLU A 692 6.106 10.632 0.446 1.00 0.00 H new ATOM 290 N LEU A 693 3.996 8.950 5.529 1.00 0.00 N ATOM 291 CA LEU A 693 2.890 8.346 6.243 1.00 0.00 C ATOM 292 C LEU A 693 3.262 8.266 7.717 1.00 0.00 C ATOM 293 O LEU A 693 4.414 8.507 8.080 1.00 0.00 O ATOM 294 CB LEU A 693 2.726 6.915 5.724 1.00 0.00 C ATOM 295 CG LEU A 693 2.128 6.834 4.316 1.00 0.00 C ATOM 296 CD1 LEU A 693 2.112 5.373 3.873 1.00 0.00 C ATOM 297 CD2 LEU A 693 0.699 7.376 4.285 1.00 0.00 C ATOM 0 H LEU A 693 4.899 8.714 5.941 1.00 0.00 H new ATOM 0 HA LEU A 693 1.976 8.924 6.105 1.00 0.00 H new ATOM 0 HB2 LEU A 693 3.699 6.424 5.724 1.00 0.00 H new ATOM 0 HB3 LEU A 693 2.089 6.359 6.412 1.00 0.00 H new ATOM 0 HG LEU A 693 2.739 7.439 3.646 1.00 0.00 H new ATOM 0 HD11 LEU A 693 1.688 5.301 2.871 1.00 0.00 H new ATOM 0 HD12 LEU A 693 3.130 4.984 3.865 1.00 0.00 H new ATOM 0 HD13 LEU A 693 1.506 4.789 4.566 1.00 0.00 H new ATOM 0 HD21 LEU A 693 0.304 7.304 3.271 1.00 0.00 H new ATOM 0 HD22 LEU A 693 0.074 6.792 4.960 1.00 0.00 H new ATOM 0 HD23 LEU A 693 0.699 8.419 4.601 1.00 0.00 H new ATOM 309 N PRO A 694 2.309 7.922 8.587 1.00 0.00 N ATOM 310 CA PRO A 694 2.618 7.585 9.957 1.00 0.00 C ATOM 311 C PRO A 694 3.339 6.244 9.934 1.00 0.00 C ATOM 312 O PRO A 694 3.027 5.377 9.116 1.00 0.00 O ATOM 313 CB PRO A 694 1.269 7.489 10.666 1.00 0.00 C ATOM 314 CG PRO A 694 0.331 7.066 9.540 1.00 0.00 C ATOM 315 CD PRO A 694 0.891 7.804 8.325 1.00 0.00 C ATOM 0 HA PRO A 694 3.254 8.309 10.466 1.00 0.00 H new ATOM 0 HB2 PRO A 694 1.287 6.758 11.475 1.00 0.00 H new ATOM 0 HB3 PRO A 694 0.973 8.442 11.104 1.00 0.00 H new ATOM 0 HG2 PRO A 694 0.338 5.986 9.394 1.00 0.00 H new ATOM 0 HG3 PRO A 694 -0.700 7.353 9.746 1.00 0.00 H new ATOM 0 HD2 PRO A 694 0.703 7.251 7.405 1.00 0.00 H new ATOM 0 HD3 PRO A 694 0.427 8.783 8.208 1.00 0.00 H new ATOM 323 N GLU A 695 4.306 6.072 10.830 1.00 0.00 N ATOM 324 CA GLU A 695 5.038 4.835 10.989 1.00 0.00 C ATOM 325 C GLU A 695 4.146 3.608 11.012 1.00 0.00 C ATOM 326 O GLU A 695 4.575 2.549 10.601 1.00 0.00 O ATOM 327 CB GLU A 695 5.910 4.915 12.223 1.00 0.00 C ATOM 328 CG GLU A 695 5.099 4.985 13.505 1.00 0.00 C ATOM 329 CD GLU A 695 5.123 6.380 14.120 1.00 0.00 C ATOM 330 OE1 GLU A 695 4.602 7.310 13.463 1.00 0.00 O ATOM 331 OE2 GLU A 695 5.661 6.510 15.242 1.00 0.00 O ATOM 0 H GLU A 695 4.603 6.805 11.474 1.00 0.00 H new ATOM 0 HA GLU A 695 5.670 4.714 10.109 1.00 0.00 H new ATOM 0 HB2 GLU A 695 6.565 4.044 12.258 1.00 0.00 H new ATOM 0 HB3 GLU A 695 6.551 5.794 12.154 1.00 0.00 H new ATOM 0 HG2 GLU A 695 4.068 4.698 13.298 1.00 0.00 H new ATOM 0 HG3 GLU A 695 5.493 4.265 14.223 1.00 0.00 H new ATOM 338 N GLU A 696 2.912 3.729 11.476 1.00 0.00 N ATOM 339 CA GLU A 696 1.918 2.672 11.464 1.00 0.00 C ATOM 340 C GLU A 696 1.861 1.932 10.125 1.00 0.00 C ATOM 341 O GLU A 696 1.305 0.840 10.048 1.00 0.00 O ATOM 342 CB GLU A 696 0.576 3.286 11.859 1.00 0.00 C ATOM 343 CG GLU A 696 -0.479 2.195 11.859 1.00 0.00 C ATOM 344 CD GLU A 696 -1.784 2.678 12.487 1.00 0.00 C ATOM 345 OE1 GLU A 696 -2.587 3.298 11.756 1.00 0.00 O ATOM 346 OE2 GLU A 696 -1.971 2.424 13.699 1.00 0.00 O ATOM 0 H GLU A 696 2.565 4.597 11.885 1.00 0.00 H new ATOM 0 HA GLU A 696 2.192 1.903 12.186 1.00 0.00 H new ATOM 0 HB2 GLU A 696 0.646 3.744 12.846 1.00 0.00 H new ATOM 0 HB3 GLU A 696 0.302 4.076 11.160 1.00 0.00 H new ATOM 0 HG2 GLU A 696 -0.666 1.868 10.836 1.00 0.00 H new ATOM 0 HG3 GLU A 696 -0.109 1.329 12.408 1.00 0.00 H new ATOM 353 N VAL A 697 2.436 2.514 9.070 1.00 0.00 N ATOM 354 CA VAL A 697 2.631 1.824 7.805 1.00 0.00 C ATOM 355 C VAL A 697 4.092 1.943 7.364 1.00 0.00 C ATOM 356 O VAL A 697 4.603 1.061 6.677 1.00 0.00 O ATOM 357 CB VAL A 697 1.660 2.396 6.771 1.00 0.00 C ATOM 358 CG1 VAL A 697 1.991 1.932 5.354 1.00 0.00 C ATOM 359 CG2 VAL A 697 0.243 1.929 7.093 1.00 0.00 C ATOM 0 H VAL A 697 2.777 3.475 9.074 1.00 0.00 H new ATOM 0 HA VAL A 697 2.418 0.760 7.913 1.00 0.00 H new ATOM 0 HB VAL A 697 1.745 3.482 6.816 1.00 0.00 H new ATOM 0 HG11 VAL A 697 1.275 2.363 4.654 1.00 0.00 H new ATOM 0 HG12 VAL A 697 2.997 2.257 5.090 1.00 0.00 H new ATOM 0 HG13 VAL A 697 1.937 0.844 5.305 1.00 0.00 H new ATOM 0 HG21 VAL A 697 -0.450 2.336 6.357 1.00 0.00 H new ATOM 0 HG22 VAL A 697 0.204 0.840 7.065 1.00 0.00 H new ATOM 0 HG23 VAL A 697 -0.038 2.277 8.087 1.00 0.00 H new ATOM 369 N GLN A 698 4.769 3.026 7.755 1.00 0.00 N ATOM 370 CA GLN A 698 6.189 3.226 7.490 1.00 0.00 C ATOM 371 C GLN A 698 7.052 2.259 8.320 1.00 0.00 C ATOM 372 O GLN A 698 8.261 2.187 8.114 1.00 0.00 O ATOM 373 CB GLN A 698 6.514 4.710 7.742 1.00 0.00 C ATOM 374 CG GLN A 698 7.688 4.995 8.686 1.00 0.00 C ATOM 375 CD GLN A 698 7.739 6.482 9.025 1.00 0.00 C ATOM 376 OE1 GLN A 698 6.581 7.058 9.332 1.00 0.00 O flip ATOM 377 NE2 GLN A 698 8.799 7.102 9.009 1.00 0.00 N flip ATOM 0 H GLN A 698 4.339 3.794 8.270 1.00 0.00 H new ATOM 0 HA GLN A 698 6.426 2.993 6.452 1.00 0.00 H new ATOM 0 HB2 GLN A 698 6.724 5.183 6.782 1.00 0.00 H new ATOM 0 HB3 GLN A 698 5.624 5.192 8.147 1.00 0.00 H new ATOM 0 HG2 GLN A 698 7.581 4.409 9.599 1.00 0.00 H new ATOM 0 HG3 GLN A 698 8.624 4.688 8.218 1.00 0.00 H new ATOM 0 HE21 GLN A 698 9.667 6.623 8.768 1.00 0.00 H new ATOM 0 HE22 GLN A 698 8.812 8.096 9.237 1.00 0.00 H new ATOM 386 N LYS A 699 6.436 1.519 9.253 1.00 0.00 N ATOM 387 CA LYS A 699 7.090 0.563 10.136 1.00 0.00 C ATOM 388 C LYS A 699 6.644 -0.866 9.846 1.00 0.00 C ATOM 389 O LYS A 699 7.323 -1.823 10.214 1.00 0.00 O ATOM 390 CB LYS A 699 6.804 0.961 11.587 1.00 0.00 C ATOM 391 CG LYS A 699 5.476 0.433 12.149 1.00 0.00 C ATOM 392 CD LYS A 699 5.171 1.162 13.454 1.00 0.00 C ATOM 393 CE LYS A 699 3.856 0.643 14.023 1.00 0.00 C ATOM 394 NZ LYS A 699 3.996 -0.727 14.558 1.00 0.00 N ATOM 0 H LYS A 699 5.430 1.578 9.413 1.00 0.00 H new ATOM 0 HA LYS A 699 8.166 0.587 9.961 1.00 0.00 H new ATOM 0 HB2 LYS A 699 7.618 0.599 12.215 1.00 0.00 H new ATOM 0 HB3 LYS A 699 6.806 2.049 11.658 1.00 0.00 H new ATOM 0 HG2 LYS A 699 4.672 0.593 11.431 1.00 0.00 H new ATOM 0 HG3 LYS A 699 5.540 -0.641 12.323 1.00 0.00 H new ATOM 0 HD2 LYS A 699 5.978 1.004 14.170 1.00 0.00 H new ATOM 0 HD3 LYS A 699 5.106 2.236 13.278 1.00 0.00 H new ATOM 0 HE2 LYS A 699 3.513 1.310 14.814 1.00 0.00 H new ATOM 0 HE3 LYS A 699 3.093 0.654 13.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 699 3.144 -0.977 15.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 699 4.115 -1.396 13.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 699 4.828 -0.773 15.181 1.00 0.00 H new ATOM 408 N GLU A 700 5.498 -1.018 9.181 1.00 0.00 N ATOM 409 CA GLU A 700 5.004 -2.332 8.811 1.00 0.00 C ATOM 410 C GLU A 700 5.877 -2.825 7.673 1.00 0.00 C ATOM 411 O GLU A 700 6.160 -4.013 7.561 1.00 0.00 O ATOM 412 CB GLU A 700 3.552 -2.236 8.356 1.00 0.00 C ATOM 413 CG GLU A 700 2.625 -2.033 9.552 1.00 0.00 C ATOM 414 CD GLU A 700 1.152 -2.094 9.136 1.00 0.00 C ATOM 415 OE1 GLU A 700 0.849 -1.707 7.984 1.00 0.00 O ATOM 416 OE2 GLU A 700 0.337 -2.532 9.978 1.00 0.00 O ATOM 0 H GLU A 700 4.900 -0.245 8.891 1.00 0.00 H new ATOM 0 HA GLU A 700 5.043 -3.018 9.657 1.00 0.00 H new ATOM 0 HB2 GLU A 700 3.439 -1.408 7.657 1.00 0.00 H new ATOM 0 HB3 GLU A 700 3.272 -3.144 7.822 1.00 0.00 H new ATOM 0 HG2 GLU A 700 2.824 -2.798 10.302 1.00 0.00 H new ATOM 0 HG3 GLU A 700 2.834 -1.069 10.016 1.00 0.00 H new ATOM 423 N LEU A 701 6.300 -1.882 6.830 1.00 0.00 N ATOM 424 CA LEU A 701 7.254 -2.129 5.771 1.00 0.00 C ATOM 425 C LEU A 701 8.621 -2.464 6.373 1.00 0.00 C ATOM 426 O LEU A 701 9.311 -3.358 5.889 1.00 0.00 O ATOM 427 CB LEU A 701 7.329 -0.856 4.924 1.00 0.00 C ATOM 428 CG LEU A 701 6.556 -1.014 3.613 1.00 0.00 C ATOM 429 CD1 LEU A 701 5.078 -1.286 3.887 1.00 0.00 C ATOM 430 CD2 LEU A 701 6.683 0.265 2.790 1.00 0.00 C ATOM 0 H LEU A 701 5.979 -0.915 6.872 1.00 0.00 H new ATOM 0 HA LEU A 701 6.949 -2.974 5.154 1.00 0.00 H new ATOM 0 HB2 LEU A 701 6.924 -0.017 5.489 1.00 0.00 H new ATOM 0 HB3 LEU A 701 8.371 -0.621 4.708 1.00 0.00 H new ATOM 0 HG LEU A 701 6.975 -1.857 3.064 1.00 0.00 H new ATOM 0 HD11 LEU A 701 4.547 -1.395 2.942 1.00 0.00 H new ATOM 0 HD12 LEU A 701 4.978 -2.203 4.467 1.00 0.00 H new ATOM 0 HD13 LEU A 701 4.653 -0.454 4.448 1.00 0.00 H new ATOM 0 HD21 LEU A 701 6.132 0.153 1.856 1.00 0.00 H new ATOM 0 HD22 LEU A 701 6.273 1.103 3.354 1.00 0.00 H new ATOM 0 HD23 LEU A 701 7.734 0.454 2.571 1.00 0.00 H new ATOM 442 N MET A 702 9.011 -1.750 7.436 1.00 0.00 N ATOM 443 CA MET A 702 10.277 -1.998 8.113 1.00 0.00 C ATOM 444 C MET A 702 10.259 -3.332 8.864 1.00 0.00 C ATOM 445 O MET A 702 11.305 -3.780 9.325 1.00 0.00 O ATOM 446 CB MET A 702 10.564 -0.880 9.119 1.00 0.00 C ATOM 447 CG MET A 702 10.744 0.496 8.475 1.00 0.00 C ATOM 448 SD MET A 702 12.388 0.828 7.785 1.00 0.00 S ATOM 449 CE MET A 702 12.134 0.305 6.070 1.00 0.00 C ATOM 0 H MET A 702 8.461 -0.994 7.843 1.00 0.00 H new ATOM 0 HA MET A 702 11.053 -2.031 7.348 1.00 0.00 H new ATOM 0 HB2 MET A 702 9.746 -0.831 9.837 1.00 0.00 H new ATOM 0 HB3 MET A 702 11.465 -1.130 9.679 1.00 0.00 H new ATOM 0 HG2 MET A 702 10.007 0.604 7.679 1.00 0.00 H new ATOM 0 HG3 MET A 702 10.522 1.259 9.221 1.00 0.00 H new ATOM 0 HE1 MET A 702 12.896 0.757 5.435 1.00 0.00 H new ATOM 0 HE2 MET A 702 12.205 -0.781 6.006 1.00 0.00 H new ATOM 0 HE3 MET A 702 11.147 0.624 5.735 1.00 0.00 H new ATOM 459 N ALA A 703 9.090 -3.972 8.995 1.00 0.00 N ATOM 460 CA ALA A 703 8.972 -5.249 9.687 1.00 0.00 C ATOM 461 C ALA A 703 8.675 -6.370 8.698 1.00 0.00 C ATOM 462 O ALA A 703 8.838 -7.550 9.011 1.00 0.00 O ATOM 463 CB ALA A 703 7.825 -5.159 10.690 1.00 0.00 C ATOM 0 H ALA A 703 8.208 -3.617 8.625 1.00 0.00 H new ATOM 0 HA ALA A 703 9.912 -5.466 10.194 1.00 0.00 H new ATOM 0 HB1 ALA A 703 7.726 -6.109 11.215 1.00 0.00 H new ATOM 0 HB2 ALA A 703 8.032 -4.367 11.409 1.00 0.00 H new ATOM 0 HB3 ALA A 703 6.897 -4.937 10.163 1.00 0.00 H new ATOM 469 N GLU A 704 8.238 -6.002 7.496 1.00 0.00 N ATOM 470 CA GLU A 704 7.868 -6.916 6.459 1.00 0.00 C ATOM 471 C GLU A 704 9.138 -7.349 5.742 1.00 0.00 C ATOM 472 O GLU A 704 9.194 -8.422 5.147 1.00 0.00 O ATOM 473 CB GLU A 704 6.936 -6.138 5.530 1.00 0.00 C ATOM 474 CG GLU A 704 6.662 -7.023 4.344 1.00 0.00 C ATOM 475 CD GLU A 704 5.490 -6.536 3.499 1.00 0.00 C ATOM 476 OE1 GLU A 704 5.497 -5.342 3.130 1.00 0.00 O ATOM 477 OE2 GLU A 704 4.593 -7.368 3.232 1.00 0.00 O ATOM 0 H GLU A 704 8.134 -5.024 7.225 1.00 0.00 H new ATOM 0 HA GLU A 704 7.366 -7.811 6.827 1.00 0.00 H new ATOM 0 HB2 GLU A 704 6.009 -5.880 6.041 1.00 0.00 H new ATOM 0 HB3 GLU A 704 7.398 -5.202 5.215 1.00 0.00 H new ATOM 0 HG2 GLU A 704 7.555 -7.075 3.722 1.00 0.00 H new ATOM 0 HG3 GLU A 704 6.457 -8.035 4.692 1.00 0.00 H new ATOM 484 N TRP A 705 10.155 -6.492 5.811 1.00 0.00 N ATOM 485 CA TRP A 705 11.428 -6.704 5.157 1.00 0.00 C ATOM 486 C TRP A 705 12.333 -7.511 6.072 1.00 0.00 C ATOM 487 O TRP A 705 13.192 -8.262 5.617 1.00 0.00 O ATOM 488 CB TRP A 705 12.016 -5.324 4.893 1.00 0.00 C ATOM 489 CG TRP A 705 11.252 -4.525 3.891 1.00 0.00 C ATOM 490 CD1 TRP A 705 10.186 -4.952 3.176 1.00 0.00 C ATOM 491 CD2 TRP A 705 11.478 -3.150 3.476 1.00 0.00 C ATOM 492 NE1 TRP A 705 9.744 -3.943 2.352 1.00 0.00 N ATOM 493 CE2 TRP A 705 10.511 -2.806 2.490 1.00 0.00 C ATOM 494 CE3 TRP A 705 12.413 -2.166 3.831 1.00 0.00 C ATOM 495 CZ2 TRP A 705 10.482 -1.550 1.879 1.00 0.00 C ATOM 496 CZ3 TRP A 705 12.419 -0.914 3.198 1.00 0.00 C ATOM 497 CH2 TRP A 705 11.460 -0.608 2.224 1.00 0.00 C ATOM 0 H TRP A 705 10.108 -5.618 6.334 1.00 0.00 H new ATOM 0 HA TRP A 705 11.320 -7.256 4.224 1.00 0.00 H new ATOM 0 HB2 TRP A 705 12.055 -4.771 5.831 1.00 0.00 H new ATOM 0 HB3 TRP A 705 13.043 -5.437 4.546 1.00 0.00 H new ATOM 0 HD1 TRP A 705 9.748 -5.937 3.242 1.00 0.00 H new ATOM 0 HE1 TRP A 705 8.949 -4.026 1.719 1.00 0.00 H new ATOM 0 HE3 TRP A 705 13.139 -2.375 4.603 1.00 0.00 H new ATOM 0 HZ2 TRP A 705 9.719 -1.309 1.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 705 13.167 -0.182 3.463 1.00 0.00 H new ATOM 0 HH2 TRP A 705 11.475 0.356 1.738 1.00 0.00 H new ATOM 575 N MET B 1 -12.360 11.419 -16.833 1.00 0.00 N ATOM 576 CA MET B 1 -12.050 11.422 -15.388 1.00 0.00 C ATOM 577 C MET B 1 -11.085 10.300 -15.043 1.00 0.00 C ATOM 578 O MET B 1 -11.276 9.173 -15.486 1.00 0.00 O ATOM 579 CB MET B 1 -13.318 11.295 -14.537 1.00 0.00 C ATOM 580 CG MET B 1 -13.980 9.915 -14.659 1.00 0.00 C ATOM 581 SD MET B 1 -14.716 9.558 -16.279 1.00 0.00 S ATOM 582 CE MET B 1 -15.361 7.903 -15.940 1.00 0.00 C ATOM 0 H1 MET B 1 -12.430 12.399 -17.175 1.00 0.00 H new ATOM 0 H2 MET B 1 -11.604 10.925 -17.349 1.00 0.00 H new ATOM 0 H3 MET B 1 -13.264 10.931 -16.993 1.00 0.00 H new ATOM 0 HA MET B 1 -11.582 12.380 -15.161 1.00 0.00 H new ATOM 0 HB2 MET B 1 -13.069 11.483 -13.492 1.00 0.00 H new ATOM 0 HB3 MET B 1 -14.031 12.063 -14.838 1.00 0.00 H new ATOM 0 HG2 MET B 1 -13.235 9.151 -14.439 1.00 0.00 H new ATOM 0 HG3 MET B 1 -14.756 9.832 -13.898 1.00 0.00 H new ATOM 0 HE1 MET B 1 -15.545 7.385 -16.881 1.00 0.00 H new ATOM 0 HE2 MET B 1 -14.634 7.342 -15.353 1.00 0.00 H new ATOM 0 HE3 MET B 1 -16.294 7.983 -15.381 1.00 0.00 H new ATOM 594 N GLN B 2 -10.049 10.596 -14.259 1.00 0.00 N ATOM 595 CA GLN B 2 -9.082 9.616 -13.796 1.00 0.00 C ATOM 596 C GLN B 2 -8.273 10.212 -12.645 1.00 0.00 C ATOM 597 O GLN B 2 -8.125 11.431 -12.570 1.00 0.00 O ATOM 598 CB GLN B 2 -8.171 9.251 -14.976 1.00 0.00 C ATOM 599 CG GLN B 2 -7.714 10.507 -15.725 1.00 0.00 C ATOM 600 CD GLN B 2 -6.798 10.221 -16.912 1.00 0.00 C ATOM 601 OE1 GLN B 2 -5.913 11.019 -17.214 1.00 0.00 O ATOM 602 NE2 GLN B 2 -6.984 9.100 -17.603 1.00 0.00 N ATOM 0 H GLN B 2 -9.860 11.541 -13.925 1.00 0.00 H new ATOM 0 HA GLN B 2 -9.579 8.717 -13.432 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -7.301 8.703 -14.613 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -8.703 8.589 -15.659 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -8.592 11.047 -16.078 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -7.195 11.165 -15.028 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -7.725 8.452 -17.334 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -6.386 8.888 -18.402 1.00 0.00 H new ATOM 611 N ILE B 3 -7.745 9.367 -11.752 1.00 0.00 N ATOM 612 CA ILE B 3 -6.970 9.830 -10.603 1.00 0.00 C ATOM 613 C ILE B 3 -5.510 9.421 -10.743 1.00 0.00 C ATOM 614 O ILE B 3 -5.190 8.464 -11.446 1.00 0.00 O ATOM 615 CB ILE B 3 -7.574 9.359 -9.264 1.00 0.00 C ATOM 616 CG1 ILE B 3 -7.202 7.914 -8.903 1.00 0.00 C ATOM 617 CG2 ILE B 3 -9.097 9.508 -9.202 1.00 0.00 C ATOM 618 CD1 ILE B 3 -7.692 6.874 -9.903 1.00 0.00 C ATOM 0 H ILE B 3 -7.843 8.353 -11.807 1.00 0.00 H new ATOM 0 HA ILE B 3 -7.015 10.919 -10.590 1.00 0.00 H new ATOM 0 HB ILE B 3 -7.126 10.028 -8.529 1.00 0.00 H new ATOM 0 HG12 ILE B 3 -6.118 7.840 -8.821 1.00 0.00 H new ATOM 0 HG13 ILE B 3 -7.613 7.679 -7.921 1.00 0.00 H new ATOM 0 HG21 ILE B 3 -9.458 9.159 -8.234 1.00 0.00 H new ATOM 0 HG22 ILE B 3 -9.366 10.556 -9.333 1.00 0.00 H new ATOM 0 HG23 ILE B 3 -9.553 8.915 -9.995 1.00 0.00 H new ATOM 0 HD11 ILE B 3 -7.387 5.881 -9.574 1.00 0.00 H new ATOM 0 HD12 ILE B 3 -8.779 6.917 -9.969 1.00 0.00 H new ATOM 0 HD13 ILE B 3 -7.260 7.080 -10.883 1.00 0.00 H new ATOM 630 N PHE B 4 -4.625 10.157 -10.063 1.00 0.00 N ATOM 631 CA PHE B 4 -3.191 9.964 -10.182 1.00 0.00 C ATOM 632 C PHE B 4 -2.699 9.208 -8.957 1.00 0.00 C ATOM 633 O PHE B 4 -2.385 9.800 -7.925 1.00 0.00 O ATOM 634 CB PHE B 4 -2.478 11.307 -10.293 1.00 0.00 C ATOM 635 CG PHE B 4 -2.635 12.056 -11.606 1.00 0.00 C ATOM 636 CD1 PHE B 4 -3.816 11.980 -12.361 1.00 0.00 C ATOM 637 CD2 PHE B 4 -1.570 12.839 -12.079 1.00 0.00 C ATOM 638 CE1 PHE B 4 -3.924 12.655 -13.584 1.00 0.00 C ATOM 639 CE2 PHE B 4 -1.679 13.525 -13.298 1.00 0.00 C ATOM 640 CZ PHE B 4 -2.856 13.430 -14.053 1.00 0.00 C ATOM 0 H PHE B 4 -4.890 10.901 -9.417 1.00 0.00 H new ATOM 0 HA PHE B 4 -2.973 9.392 -11.084 1.00 0.00 H new ATOM 0 HB2 PHE B 4 -2.837 11.950 -9.489 1.00 0.00 H new ATOM 0 HB3 PHE B 4 -1.414 11.143 -10.120 1.00 0.00 H new ATOM 0 HD1 PHE B 4 -4.648 11.396 -11.996 1.00 0.00 H new ATOM 0 HD2 PHE B 4 -0.661 12.914 -11.501 1.00 0.00 H new ATOM 0 HE1 PHE B 4 -4.831 12.578 -14.165 1.00 0.00 H new ATOM 0 HE2 PHE B 4 -0.856 14.126 -13.655 1.00 0.00 H new ATOM 0 HZ PHE B 4 -2.939 13.953 -14.994 1.00 0.00 H new ATOM 650 N VAL B 5 -2.638 7.887 -9.071 1.00 0.00 N ATOM 651 CA VAL B 5 -2.220 7.033 -7.972 1.00 0.00 C ATOM 652 C VAL B 5 -0.700 6.956 -7.946 1.00 0.00 C ATOM 653 O VAL B 5 -0.092 6.311 -8.799 1.00 0.00 O ATOM 654 CB VAL B 5 -2.823 5.637 -8.134 1.00 0.00 C ATOM 655 CG1 VAL B 5 -2.449 4.773 -6.932 1.00 0.00 C ATOM 656 CG2 VAL B 5 -4.348 5.720 -8.230 1.00 0.00 C ATOM 0 H VAL B 5 -2.876 7.382 -9.924 1.00 0.00 H new ATOM 0 HA VAL B 5 -2.573 7.452 -7.030 1.00 0.00 H new ATOM 0 HB VAL B 5 -2.429 5.195 -9.049 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -2.880 3.779 -7.050 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -1.364 4.692 -6.865 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -2.836 5.230 -6.021 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -4.760 4.718 -8.345 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -4.746 6.174 -7.322 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -4.626 6.328 -9.091 1.00 0.00 H new ATOM 666 N LYS B 6 -0.075 7.613 -6.967 1.00 0.00 N ATOM 667 CA LYS B 6 1.367 7.585 -6.805 1.00 0.00 C ATOM 668 C LYS B 6 1.781 6.242 -6.218 1.00 0.00 C ATOM 669 O LYS B 6 1.223 5.793 -5.215 1.00 0.00 O ATOM 670 CB LYS B 6 1.774 8.743 -5.888 1.00 0.00 C ATOM 671 CG LYS B 6 3.286 8.752 -5.679 1.00 0.00 C ATOM 672 CD LYS B 6 4.008 9.202 -6.945 1.00 0.00 C ATOM 673 CE LYS B 6 4.124 10.723 -7.000 1.00 0.00 C ATOM 674 NZ LYS B 6 4.590 11.165 -8.330 1.00 0.00 N ATOM 0 H LYS B 6 -0.560 8.177 -6.269 1.00 0.00 H new ATOM 0 HA LYS B 6 1.869 7.702 -7.765 1.00 0.00 H new ATOM 0 HB2 LYS B 6 1.455 9.690 -6.324 1.00 0.00 H new ATOM 0 HB3 LYS B 6 1.268 8.649 -4.927 1.00 0.00 H new ATOM 0 HG2 LYS B 6 3.539 9.419 -4.855 1.00 0.00 H new ATOM 0 HG3 LYS B 6 3.624 7.755 -5.398 1.00 0.00 H new ATOM 0 HD2 LYS B 6 5.002 8.757 -6.978 1.00 0.00 H new ATOM 0 HD3 LYS B 6 3.469 8.843 -7.822 1.00 0.00 H new ATOM 0 HE2 LYS B 6 3.157 11.174 -6.780 1.00 0.00 H new ATOM 0 HE3 LYS B 6 4.818 11.067 -6.233 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 4.759 12.191 -8.315 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 5.474 10.672 -8.570 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 3.866 10.944 -9.043 1.00 0.00 H new ATOM 688 N THR B 7 2.769 5.610 -6.849 1.00 0.00 N ATOM 689 CA THR B 7 3.300 4.333 -6.406 1.00 0.00 C ATOM 690 C THR B 7 4.514 4.546 -5.506 1.00 0.00 C ATOM 691 O THR B 7 5.021 5.660 -5.380 1.00 0.00 O ATOM 692 CB THR B 7 3.645 3.467 -7.622 1.00 0.00 C ATOM 693 OG1 THR B 7 3.742 2.121 -7.215 1.00 0.00 O ATOM 694 CG2 THR B 7 4.968 3.893 -8.242 1.00 0.00 C ATOM 0 H THR B 7 3.223 5.976 -7.686 1.00 0.00 H new ATOM 0 HA THR B 7 2.545 3.810 -5.819 1.00 0.00 H new ATOM 0 HB THR B 7 2.858 3.588 -8.367 1.00 0.00 H new ATOM 0 HG1 THR B 7 3.961 1.560 -7.988 1.00 0.00 H new ATOM 0 HG21 THR B 7 5.187 3.261 -9.103 1.00 0.00 H new ATOM 0 HG22 THR B 7 4.901 4.933 -8.563 1.00 0.00 H new ATOM 0 HG23 THR B 7 5.765 3.791 -7.505 1.00 0.00 H new ATOM 702 N LEU B 8 4.975 3.464 -4.881 1.00 0.00 N ATOM 703 CA LEU B 8 6.063 3.451 -3.909 1.00 0.00 C ATOM 704 C LEU B 8 7.440 3.796 -4.494 1.00 0.00 C ATOM 705 O LEU B 8 8.454 3.518 -3.853 1.00 0.00 O ATOM 706 CB LEU B 8 6.089 2.072 -3.253 1.00 0.00 C ATOM 707 CG LEU B 8 4.927 1.848 -2.281 1.00 0.00 C ATOM 708 CD1 LEU B 8 5.100 0.471 -1.643 1.00 0.00 C ATOM 709 CD2 LEU B 8 4.914 2.899 -1.172 1.00 0.00 C ATOM 0 H LEU B 8 4.584 2.536 -5.046 1.00 0.00 H new ATOM 0 HA LEU B 8 5.865 4.239 -3.182 1.00 0.00 H new ATOM 0 HB2 LEU B 8 6.059 1.307 -4.028 1.00 0.00 H new ATOM 0 HB3 LEU B 8 7.031 1.948 -2.719 1.00 0.00 H new ATOM 0 HG LEU B 8 3.990 1.921 -2.833 1.00 0.00 H new ATOM 0 HD11 LEU B 8 4.283 0.288 -0.945 1.00 0.00 H new ATOM 0 HD12 LEU B 8 5.092 -0.294 -2.420 1.00 0.00 H new ATOM 0 HD13 LEU B 8 6.049 0.435 -1.108 1.00 0.00 H new ATOM 0 HD21 LEU B 8 4.076 2.709 -0.501 1.00 0.00 H new ATOM 0 HD22 LEU B 8 5.847 2.848 -0.611 1.00 0.00 H new ATOM 0 HD23 LEU B 8 4.809 3.891 -1.612 1.00 0.00 H new ATOM 721 N THR B 9 7.511 4.394 -5.690 1.00 0.00 N ATOM 722 CA THR B 9 8.785 4.749 -6.314 1.00 0.00 C ATOM 723 C THR B 9 8.769 6.167 -6.888 1.00 0.00 C ATOM 724 O THR B 9 9.725 6.577 -7.544 1.00 0.00 O ATOM 725 CB THR B 9 9.144 3.743 -7.412 1.00 0.00 C ATOM 726 OG1 THR B 9 8.163 3.775 -8.423 1.00 0.00 O ATOM 727 CG2 THR B 9 9.237 2.325 -6.852 1.00 0.00 C ATOM 0 H THR B 9 6.693 4.642 -6.246 1.00 0.00 H new ATOM 0 HA THR B 9 9.545 4.717 -5.533 1.00 0.00 H new ATOM 0 HB THR B 9 10.115 4.021 -7.821 1.00 0.00 H new ATOM 0 HG1 THR B 9 8.396 3.132 -9.125 1.00 0.00 H new ATOM 0 HG21 THR B 9 9.493 1.633 -7.654 1.00 0.00 H new ATOM 0 HG22 THR B 9 10.007 2.288 -6.081 1.00 0.00 H new ATOM 0 HG23 THR B 9 8.277 2.041 -6.420 1.00 0.00 H new ATOM 735 N GLY B 10 7.691 6.922 -6.651 1.00 0.00 N ATOM 736 CA GLY B 10 7.577 8.299 -7.116 1.00 0.00 C ATOM 737 C GLY B 10 6.922 8.395 -8.494 1.00 0.00 C ATOM 738 O GLY B 10 6.804 9.489 -9.044 1.00 0.00 O ATOM 0 H GLY B 10 6.877 6.592 -6.132 1.00 0.00 H new ATOM 0 HA2 GLY B 10 6.993 8.875 -6.398 1.00 0.00 H new ATOM 0 HA3 GLY B 10 8.569 8.750 -7.156 1.00 0.00 H new ATOM 742 N LYS B 11 6.496 7.260 -9.052 1.00 0.00 N ATOM 743 CA LYS B 11 5.840 7.178 -10.347 1.00 0.00 C ATOM 744 C LYS B 11 4.335 7.260 -10.135 1.00 0.00 C ATOM 745 O LYS B 11 3.840 6.927 -9.063 1.00 0.00 O ATOM 746 CB LYS B 11 6.293 5.862 -10.992 1.00 0.00 C ATOM 747 CG LYS B 11 5.481 5.427 -12.214 1.00 0.00 C ATOM 748 CD LYS B 11 4.294 4.537 -11.826 1.00 0.00 C ATOM 749 CE LYS B 11 3.503 4.145 -13.075 1.00 0.00 C ATOM 750 NZ LYS B 11 4.299 3.291 -13.978 1.00 0.00 N ATOM 0 H LYS B 11 6.603 6.352 -8.599 1.00 0.00 H new ATOM 0 HA LYS B 11 6.106 7.997 -11.015 1.00 0.00 H new ATOM 0 HB2 LYS B 11 7.338 5.960 -11.285 1.00 0.00 H new ATOM 0 HB3 LYS B 11 6.245 5.072 -10.243 1.00 0.00 H new ATOM 0 HG2 LYS B 11 5.116 6.309 -12.740 1.00 0.00 H new ATOM 0 HG3 LYS B 11 6.128 4.888 -12.906 1.00 0.00 H new ATOM 0 HD2 LYS B 11 4.651 3.642 -11.316 1.00 0.00 H new ATOM 0 HD3 LYS B 11 3.646 5.065 -11.126 1.00 0.00 H new ATOM 0 HE2 LYS B 11 2.596 3.617 -12.781 1.00 0.00 H new ATOM 0 HE3 LYS B 11 3.191 5.045 -13.606 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 4.454 3.788 -14.878 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 5.217 3.079 -13.536 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 3.788 2.403 -14.156 1.00 0.00 H new ATOM 764 N THR B 12 3.602 7.701 -11.155 1.00 0.00 N ATOM 765 CA THR B 12 2.171 7.923 -11.041 1.00 0.00 C ATOM 766 C THR B 12 1.436 7.068 -12.059 1.00 0.00 C ATOM 767 O THR B 12 1.856 6.949 -13.209 1.00 0.00 O ATOM 768 CB THR B 12 1.892 9.409 -11.266 1.00 0.00 C ATOM 769 OG1 THR B 12 2.511 10.169 -10.248 1.00 0.00 O ATOM 770 CG2 THR B 12 0.395 9.704 -11.245 1.00 0.00 C ATOM 0 H THR B 12 3.985 7.912 -12.077 1.00 0.00 H new ATOM 0 HA THR B 12 1.818 7.639 -10.050 1.00 0.00 H new ATOM 0 HB THR B 12 2.292 9.676 -12.244 1.00 0.00 H new ATOM 0 HG1 THR B 12 2.332 11.121 -10.396 1.00 0.00 H new ATOM 0 HG21 THR B 12 0.232 10.769 -11.408 1.00 0.00 H new ATOM 0 HG22 THR B 12 -0.099 9.136 -12.034 1.00 0.00 H new ATOM 0 HG23 THR B 12 -0.019 9.417 -10.278 1.00 0.00 H new ATOM 778 N ILE B 13 0.329 6.475 -11.617 1.00 0.00 N ATOM 779 CA ILE B 13 -0.547 5.665 -12.441 1.00 0.00 C ATOM 780 C ILE B 13 -1.819 6.476 -12.648 1.00 0.00 C ATOM 781 O ILE B 13 -2.206 7.237 -11.765 1.00 0.00 O ATOM 782 CB ILE B 13 -0.871 4.352 -11.713 1.00 0.00 C ATOM 783 CG1 ILE B 13 0.378 3.700 -11.101 1.00 0.00 C ATOM 784 CG2 ILE B 13 -1.528 3.375 -12.696 1.00 0.00 C ATOM 785 CD1 ILE B 13 -0.014 2.645 -10.069 1.00 0.00 C ATOM 0 H ILE B 13 0.014 6.550 -10.650 1.00 0.00 H new ATOM 0 HA ILE B 13 -0.082 5.416 -13.395 1.00 0.00 H new ATOM 0 HB ILE B 13 -1.551 4.588 -10.895 1.00 0.00 H new ATOM 0 HG12 ILE B 13 0.977 3.241 -11.888 1.00 0.00 H new ATOM 0 HG13 ILE B 13 0.999 4.463 -10.631 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -1.759 2.442 -12.182 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -2.448 3.813 -13.084 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -0.845 3.175 -13.521 1.00 0.00 H new ATOM 0 HD11 ILE B 13 0.886 2.196 -9.648 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -0.593 3.113 -9.273 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -0.615 1.872 -10.549 1.00 0.00 H new ATOM 797 N THR B 14 -2.476 6.326 -13.798 1.00 0.00 N ATOM 798 CA THR B 14 -3.653 7.124 -14.103 1.00 0.00 C ATOM 799 C THR B 14 -4.707 6.284 -14.811 1.00 0.00 C ATOM 800 O THR B 14 -4.504 5.847 -15.942 1.00 0.00 O ATOM 801 CB THR B 14 -3.260 8.336 -14.951 1.00 0.00 C ATOM 802 OG1 THR B 14 -2.158 9.008 -14.382 1.00 0.00 O ATOM 803 CG2 THR B 14 -4.434 9.307 -15.010 1.00 0.00 C ATOM 0 H THR B 14 -2.212 5.663 -14.526 1.00 0.00 H new ATOM 0 HA THR B 14 -4.085 7.481 -13.168 1.00 0.00 H new ATOM 0 HB THR B 14 -2.993 7.987 -15.949 1.00 0.00 H new ATOM 0 HG1 THR B 14 -1.921 9.778 -14.939 1.00 0.00 H new ATOM 0 HG21 THR B 14 -4.160 10.173 -15.613 1.00 0.00 H new ATOM 0 HG22 THR B 14 -5.295 8.810 -15.458 1.00 0.00 H new ATOM 0 HG23 THR B 14 -4.688 9.633 -14.001 1.00 0.00 H new ATOM 811 N LEU B 15 -5.833 6.061 -14.128 1.00 0.00 N ATOM 812 CA LEU B 15 -6.942 5.247 -14.605 1.00 0.00 C ATOM 813 C LEU B 15 -8.245 5.903 -14.183 1.00 0.00 C ATOM 814 O LEU B 15 -8.300 6.668 -13.220 1.00 0.00 O ATOM 815 CB LEU B 15 -6.820 3.780 -14.137 1.00 0.00 C ATOM 816 CG LEU B 15 -6.442 3.487 -12.672 1.00 0.00 C ATOM 817 CD1 LEU B 15 -5.081 4.047 -12.266 1.00 0.00 C ATOM 818 CD2 LEU B 15 -7.501 3.976 -11.690 1.00 0.00 C ATOM 0 H LEU B 15 -5.998 6.455 -13.202 1.00 0.00 H new ATOM 0 HA LEU B 15 -6.921 5.197 -15.694 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -7.775 3.293 -14.333 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -6.078 3.294 -14.771 1.00 0.00 H new ATOM 0 HG LEU B 15 -6.382 2.400 -12.622 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -4.883 3.802 -11.222 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -4.305 3.610 -12.895 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -5.081 5.130 -12.390 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -7.187 3.746 -10.672 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -7.626 5.054 -11.796 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -8.448 3.479 -11.899 1.00 0.00 H new ATOM 830 N GLU B 16 -9.300 5.592 -14.925 1.00 0.00 N ATOM 831 CA GLU B 16 -10.566 6.275 -14.802 1.00 0.00 C ATOM 832 C GLU B 16 -11.427 5.629 -13.730 1.00 0.00 C ATOM 833 O GLU B 16 -11.333 4.427 -13.488 1.00 0.00 O ATOM 834 CB GLU B 16 -11.293 6.196 -16.140 1.00 0.00 C ATOM 835 CG GLU B 16 -10.443 6.775 -17.270 1.00 0.00 C ATOM 836 CD GLU B 16 -9.229 5.922 -17.631 1.00 0.00 C ATOM 837 OE1 GLU B 16 -9.402 4.694 -17.796 1.00 0.00 O ATOM 838 OE2 GLU B 16 -8.131 6.512 -17.739 1.00 0.00 O ATOM 0 H GLU B 16 -9.294 4.855 -15.630 1.00 0.00 H new ATOM 0 HA GLU B 16 -10.384 7.312 -14.521 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -11.538 5.157 -16.362 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -12.236 6.739 -16.076 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -11.067 6.895 -18.156 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -10.103 7.770 -16.983 1.00 0.00 H new ATOM 845 N VAL B 17 -12.268 6.440 -13.095 1.00 0.00 N ATOM 846 CA VAL B 17 -13.108 5.987 -11.990 1.00 0.00 C ATOM 847 C VAL B 17 -14.422 6.760 -11.954 1.00 0.00 C ATOM 848 O VAL B 17 -14.621 7.699 -12.723 1.00 0.00 O ATOM 849 CB VAL B 17 -12.378 6.138 -10.647 1.00 0.00 C ATOM 850 CG1 VAL B 17 -11.138 5.247 -10.572 1.00 0.00 C ATOM 851 CG2 VAL B 17 -11.963 7.590 -10.407 1.00 0.00 C ATOM 0 H VAL B 17 -12.387 7.425 -13.330 1.00 0.00 H new ATOM 0 HA VAL B 17 -13.326 4.931 -12.153 1.00 0.00 H new ATOM 0 HB VAL B 17 -13.081 5.827 -9.874 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -10.650 5.383 -9.607 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -11.432 4.204 -10.686 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -10.446 5.518 -11.370 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -11.448 7.668 -9.449 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -11.295 7.914 -11.205 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -12.849 8.225 -10.395 1.00 0.00 H new ATOM 861 N GLU B 18 -15.319 6.358 -11.053 1.00 0.00 N ATOM 862 CA GLU B 18 -16.631 6.966 -10.905 1.00 0.00 C ATOM 863 C GLU B 18 -16.974 7.081 -9.427 1.00 0.00 C ATOM 864 O GLU B 18 -16.417 6.358 -8.601 1.00 0.00 O ATOM 865 CB GLU B 18 -17.682 6.093 -11.597 1.00 0.00 C ATOM 866 CG GLU B 18 -17.337 5.890 -13.069 1.00 0.00 C ATOM 867 CD GLU B 18 -18.419 5.095 -13.796 1.00 0.00 C ATOM 868 OE1 GLU B 18 -19.590 5.537 -13.761 1.00 0.00 O ATOM 869 OE2 GLU B 18 -18.072 4.045 -14.386 1.00 0.00 O ATOM 0 H GLU B 18 -15.148 5.592 -10.401 1.00 0.00 H new ATOM 0 HA GLU B 18 -16.621 7.957 -11.359 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -17.744 5.126 -11.097 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -18.663 6.560 -11.510 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -17.212 6.860 -13.551 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -16.384 5.368 -13.151 1.00 0.00 H new ATOM 876 N PRO B 19 -17.897 7.984 -9.075 1.00 0.00 N ATOM 877 CA PRO B 19 -18.354 8.168 -7.712 1.00 0.00 C ATOM 878 C PRO B 19 -19.274 7.024 -7.280 1.00 0.00 C ATOM 879 O PRO B 19 -19.886 7.093 -6.216 1.00 0.00 O ATOM 880 CB PRO B 19 -19.103 9.494 -7.719 1.00 0.00 C ATOM 881 CG PRO B 19 -19.652 9.579 -9.142 1.00 0.00 C ATOM 882 CD PRO B 19 -18.570 8.897 -9.978 1.00 0.00 C ATOM 0 HA PRO B 19 -17.524 8.172 -7.005 1.00 0.00 H new ATOM 0 HB2 PRO B 19 -19.902 9.509 -6.978 1.00 0.00 H new ATOM 0 HB3 PRO B 19 -18.442 10.331 -7.492 1.00 0.00 H new ATOM 0 HG2 PRO B 19 -20.612 9.070 -9.234 1.00 0.00 H new ATOM 0 HG3 PRO B 19 -19.808 10.612 -9.452 1.00 0.00 H new ATOM 0 HD2 PRO B 19 -19.006 8.363 -10.823 1.00 0.00 H new ATOM 0 HD3 PRO B 19 -17.873 9.628 -10.388 1.00 0.00 H new ATOM 890 N SER B 20 -19.369 5.979 -8.105 1.00 0.00 N ATOM 891 CA SER B 20 -20.196 4.818 -7.831 1.00 0.00 C ATOM 892 C SER B 20 -19.388 3.528 -7.961 1.00 0.00 C ATOM 893 O SER B 20 -19.949 2.436 -7.866 1.00 0.00 O ATOM 894 CB SER B 20 -21.406 4.807 -8.759 1.00 0.00 C ATOM 895 OG SER B 20 -22.150 6.000 -8.609 1.00 0.00 O ATOM 0 H SER B 20 -18.865 5.921 -8.990 1.00 0.00 H new ATOM 0 HA SER B 20 -20.552 4.878 -6.802 1.00 0.00 H new ATOM 0 HB2 SER B 20 -21.079 4.702 -9.793 1.00 0.00 H new ATOM 0 HB3 SER B 20 -22.037 3.946 -8.535 1.00 0.00 H new ATOM 0 HG SER B 20 -22.923 5.981 -9.211 1.00 0.00 H new ATOM 901 N ASP B 21 -18.073 3.651 -8.178 1.00 0.00 N ATOM 902 CA ASP B 21 -17.156 2.522 -8.080 1.00 0.00 C ATOM 903 C ASP B 21 -17.002 2.154 -6.596 1.00 0.00 C ATOM 904 O ASP B 21 -17.975 2.153 -5.848 1.00 0.00 O ATOM 905 CB ASP B 21 -15.822 2.890 -8.736 1.00 0.00 C ATOM 906 CG ASP B 21 -15.923 3.026 -10.254 1.00 0.00 C ATOM 907 OD1 ASP B 21 -16.947 2.582 -10.819 1.00 0.00 O ATOM 908 OD2 ASP B 21 -14.962 3.577 -10.831 1.00 0.00 O ATOM 0 H ASP B 21 -17.622 4.532 -8.425 1.00 0.00 H new ATOM 0 HA ASP B 21 -17.541 1.650 -8.609 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -15.463 3.829 -8.315 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -15.081 2.128 -8.493 1.00 0.00 H new ATOM 913 N THR B 22 -15.782 1.838 -6.167 1.00 0.00 N ATOM 914 CA THR B 22 -15.442 1.473 -4.800 1.00 0.00 C ATOM 915 C THR B 22 -13.922 1.350 -4.733 1.00 0.00 C ATOM 916 O THR B 22 -13.265 1.336 -5.773 1.00 0.00 O ATOM 917 CB THR B 22 -16.140 0.165 -4.401 1.00 0.00 C ATOM 918 OG1 THR B 22 -15.612 -0.319 -3.187 1.00 0.00 O ATOM 919 CG2 THR B 22 -15.979 -0.912 -5.474 1.00 0.00 C ATOM 0 H THR B 22 -14.974 1.830 -6.789 1.00 0.00 H new ATOM 0 HA THR B 22 -15.784 2.230 -4.094 1.00 0.00 H new ATOM 0 HB THR B 22 -17.201 0.387 -4.287 1.00 0.00 H new ATOM 0 HG1 THR B 22 -16.066 -1.152 -2.942 1.00 0.00 H new ATOM 0 HG21 THR B 22 -16.487 -1.822 -5.155 1.00 0.00 H new ATOM 0 HG22 THR B 22 -16.416 -0.562 -6.409 1.00 0.00 H new ATOM 0 HG23 THR B 22 -14.920 -1.121 -5.624 1.00 0.00 H new ATOM 927 N ILE B 23 -13.334 1.258 -3.538 1.00 0.00 N ATOM 928 CA ILE B 23 -11.891 1.169 -3.433 1.00 0.00 C ATOM 929 C ILE B 23 -11.365 -0.080 -4.139 1.00 0.00 C ATOM 930 O ILE B 23 -10.267 -0.052 -4.687 1.00 0.00 O ATOM 931 CB ILE B 23 -11.492 1.186 -1.954 1.00 0.00 C ATOM 932 CG1 ILE B 23 -11.893 2.504 -1.276 1.00 0.00 C ATOM 933 CG2 ILE B 23 -9.983 0.984 -1.808 1.00 0.00 C ATOM 934 CD1 ILE B 23 -11.458 3.749 -2.061 1.00 0.00 C ATOM 0 H ILE B 23 -13.832 1.244 -2.648 1.00 0.00 H new ATOM 0 HA ILE B 23 -11.440 2.028 -3.930 1.00 0.00 H new ATOM 0 HB ILE B 23 -12.023 0.369 -1.465 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -12.975 2.524 -1.148 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -11.453 2.540 -0.279 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -9.714 0.998 -0.752 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -9.701 0.024 -2.241 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -9.457 1.785 -2.327 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -11.773 4.645 -1.526 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -10.373 3.752 -2.167 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -11.919 3.736 -3.049 1.00 0.00 H new ATOM 946 N GLU B 24 -12.127 -1.180 -4.144 1.00 0.00 N ATOM 947 CA GLU B 24 -11.657 -2.395 -4.797 1.00 0.00 C ATOM 948 C GLU B 24 -11.725 -2.276 -6.321 1.00 0.00 C ATOM 949 O GLU B 24 -11.066 -3.037 -7.025 1.00 0.00 O ATOM 950 CB GLU B 24 -12.428 -3.622 -4.297 1.00 0.00 C ATOM 951 CG GLU B 24 -13.859 -3.665 -4.832 1.00 0.00 C ATOM 952 CD GLU B 24 -14.599 -4.899 -4.322 1.00 0.00 C ATOM 953 OE1 GLU B 24 -14.403 -5.980 -4.923 1.00 0.00 O ATOM 954 OE2 GLU B 24 -15.357 -4.758 -3.335 1.00 0.00 O ATOM 0 H GLU B 24 -13.049 -1.249 -3.713 1.00 0.00 H new ATOM 0 HA GLU B 24 -10.609 -2.529 -4.530 1.00 0.00 H new ATOM 0 HB2 GLU B 24 -11.902 -4.527 -4.600 1.00 0.00 H new ATOM 0 HB3 GLU B 24 -12.450 -3.615 -3.207 1.00 0.00 H new ATOM 0 HG2 GLU B 24 -14.392 -2.765 -4.526 1.00 0.00 H new ATOM 0 HG3 GLU B 24 -13.843 -3.671 -5.922 1.00 0.00 H new ATOM 961 N ASN B 25 -12.514 -1.327 -6.848 1.00 0.00 N ATOM 962 CA ASN B 25 -12.559 -1.062 -8.267 1.00 0.00 C ATOM 963 C ASN B 25 -11.307 -0.286 -8.655 1.00 0.00 C ATOM 964 O ASN B 25 -10.769 -0.485 -9.740 1.00 0.00 O ATOM 965 CB ASN B 25 -13.798 -0.221 -8.560 1.00 0.00 C ATOM 966 CG ASN B 25 -15.010 -1.065 -8.898 1.00 0.00 C ATOM 967 OD1 ASN B 25 -15.168 -2.183 -8.416 1.00 0.00 O ATOM 968 ND2 ASN B 25 -15.881 -0.522 -9.741 1.00 0.00 N ATOM 0 H ASN B 25 -13.130 -0.733 -6.293 1.00 0.00 H new ATOM 0 HA ASN B 25 -12.603 -1.991 -8.835 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -14.023 0.401 -7.694 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -13.587 0.453 -9.390 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -16.719 -1.037 -10.010 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -15.712 0.410 -10.119 1.00 0.00 H new ATOM 975 N VAL B 26 -10.832 0.598 -7.769 1.00 0.00 N ATOM 976 CA VAL B 26 -9.601 1.330 -8.017 1.00 0.00 C ATOM 977 C VAL B 26 -8.438 0.349 -8.007 1.00 0.00 C ATOM 978 O VAL B 26 -7.514 0.479 -8.808 1.00 0.00 O ATOM 979 CB VAL B 26 -9.411 2.440 -6.983 1.00 0.00 C ATOM 980 CG1 VAL B 26 -8.202 3.297 -7.366 1.00 0.00 C ATOM 981 CG2 VAL B 26 -10.638 3.355 -6.938 1.00 0.00 C ATOM 0 H VAL B 26 -11.284 0.817 -6.881 1.00 0.00 H new ATOM 0 HA VAL B 26 -9.649 1.813 -8.993 1.00 0.00 H new ATOM 0 HB VAL B 26 -9.264 1.972 -6.010 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -8.068 4.088 -6.628 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -7.309 2.673 -7.396 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -8.367 3.741 -8.348 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -10.481 4.138 -6.196 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -10.789 3.809 -7.917 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -11.518 2.771 -6.669 1.00 0.00 H new ATOM 991 N LYS B 27 -8.474 -0.642 -7.109 1.00 0.00 N ATOM 992 CA LYS B 27 -7.456 -1.685 -7.094 1.00 0.00 C ATOM 993 C LYS B 27 -7.542 -2.529 -8.361 1.00 0.00 C ATOM 994 O LYS B 27 -6.518 -2.958 -8.886 1.00 0.00 O ATOM 995 CB LYS B 27 -7.632 -2.592 -5.875 1.00 0.00 C ATOM 996 CG LYS B 27 -7.342 -1.862 -4.564 1.00 0.00 C ATOM 997 CD LYS B 27 -7.417 -2.866 -3.414 1.00 0.00 C ATOM 998 CE LYS B 27 -7.043 -2.194 -2.094 1.00 0.00 C ATOM 999 NZ LYS B 27 -7.002 -3.178 -0.994 1.00 0.00 N ATOM 0 H LYS B 27 -9.192 -0.739 -6.391 1.00 0.00 H new ATOM 0 HA LYS B 27 -6.480 -1.202 -7.044 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -8.651 -2.978 -5.856 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -6.967 -3.451 -5.965 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -6.355 -1.401 -4.599 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -8.063 -1.059 -4.412 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -8.424 -3.277 -3.347 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -6.744 -3.701 -3.608 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -6.071 -1.710 -2.190 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -7.767 -1.413 -1.861 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -7.474 -2.782 -0.156 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -7.491 -4.048 -1.288 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -6.012 -3.398 -0.762 1.00 0.00 H new ATOM 1013 N ALA B 28 -8.761 -2.764 -8.853 1.00 0.00 N ATOM 1014 CA ALA B 28 -8.982 -3.556 -10.049 1.00 0.00 C ATOM 1015 C ALA B 28 -8.444 -2.845 -11.291 1.00 0.00 C ATOM 1016 O ALA B 28 -8.092 -3.498 -12.270 1.00 0.00 O ATOM 1017 CB ALA B 28 -10.481 -3.836 -10.192 1.00 0.00 C ATOM 0 H ALA B 28 -9.617 -2.408 -8.428 1.00 0.00 H new ATOM 0 HA ALA B 28 -8.442 -4.498 -9.956 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -10.656 -4.431 -11.088 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -10.834 -4.384 -9.318 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -11.021 -2.893 -10.271 1.00 0.00 H new ATOM 1023 N LYS B 29 -8.375 -1.507 -11.258 1.00 0.00 N ATOM 1024 CA LYS B 29 -7.823 -0.725 -12.358 1.00 0.00 C ATOM 1025 C LYS B 29 -6.305 -0.614 -12.230 1.00 0.00 C ATOM 1026 O LYS B 29 -5.614 -0.511 -13.238 1.00 0.00 O ATOM 1027 CB LYS B 29 -8.454 0.671 -12.349 1.00 0.00 C ATOM 1028 CG LYS B 29 -9.955 0.614 -12.638 1.00 0.00 C ATOM 1029 CD LYS B 29 -10.699 1.719 -11.892 1.00 0.00 C ATOM 1030 CE LYS B 29 -12.214 1.531 -12.007 1.00 0.00 C ATOM 1031 NZ LYS B 29 -12.708 1.951 -13.331 1.00 0.00 N ATOM 0 H LYS B 29 -8.700 -0.945 -10.471 1.00 0.00 H new ATOM 0 HA LYS B 29 -8.050 -1.224 -13.300 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -8.287 1.140 -11.379 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -7.963 1.297 -13.094 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -10.127 0.715 -13.710 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -10.349 -0.358 -12.342 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -10.407 1.715 -10.842 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -10.417 2.691 -12.298 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -12.466 0.484 -11.838 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -12.714 2.109 -11.230 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -13.745 2.022 -13.308 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -12.303 2.877 -13.575 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -12.425 1.250 -14.045 1.00 0.00 H new ATOM 1045 N ILE B 30 -5.776 -0.636 -11.003 1.00 0.00 N ATOM 1046 CA ILE B 30 -4.335 -0.579 -10.775 1.00 0.00 C ATOM 1047 C ILE B 30 -3.694 -1.926 -11.088 1.00 0.00 C ATOM 1048 O ILE B 30 -2.555 -1.975 -11.546 1.00 0.00 O ATOM 1049 CB ILE B 30 -4.081 -0.177 -9.321 1.00 0.00 C ATOM 1050 CG1 ILE B 30 -4.483 1.289 -9.138 1.00 0.00 C ATOM 1051 CG2 ILE B 30 -2.605 -0.356 -8.951 1.00 0.00 C ATOM 1052 CD1 ILE B 30 -4.577 1.654 -7.656 1.00 0.00 C ATOM 0 H ILE B 30 -6.331 -0.693 -10.149 1.00 0.00 H new ATOM 0 HA ILE B 30 -3.886 0.162 -11.436 1.00 0.00 H new ATOM 0 HB ILE B 30 -4.674 -0.817 -8.668 1.00 0.00 H new ATOM 0 HG12 ILE B 30 -3.753 1.933 -9.629 1.00 0.00 H new ATOM 0 HG13 ILE B 30 -5.443 1.469 -9.622 1.00 0.00 H new ATOM 0 HG21 ILE B 30 -2.452 -0.063 -7.912 1.00 0.00 H new ATOM 0 HG22 ILE B 30 -2.322 -1.401 -9.079 1.00 0.00 H new ATOM 0 HG23 ILE B 30 -1.989 0.268 -9.598 1.00 0.00 H new ATOM 0 HD11 ILE B 30 -4.864 2.701 -7.557 1.00 0.00 H new ATOM 0 HD12 ILE B 30 -5.325 1.025 -7.173 1.00 0.00 H new ATOM 0 HD13 ILE B 30 -3.609 1.497 -7.180 1.00 0.00 H new ATOM 1064 N GLN B 31 -4.413 -3.025 -10.848 1.00 0.00 N ATOM 1065 CA GLN B 31 -3.941 -4.349 -11.221 1.00 0.00 C ATOM 1066 C GLN B 31 -3.840 -4.423 -12.742 1.00 0.00 C ATOM 1067 O GLN B 31 -3.029 -5.167 -13.286 1.00 0.00 O ATOM 1068 CB GLN B 31 -4.941 -5.375 -10.691 1.00 0.00 C ATOM 1069 CG GLN B 31 -4.763 -6.779 -11.271 1.00 0.00 C ATOM 1070 CD GLN B 31 -3.645 -7.624 -10.682 1.00 0.00 C ATOM 1071 OE1 GLN B 31 -2.472 -7.340 -10.872 1.00 0.00 O ATOM 1072 NE2 GLN B 31 -4.004 -8.681 -9.958 1.00 0.00 N ATOM 0 H GLN B 31 -5.327 -3.018 -10.395 1.00 0.00 H new ATOM 0 HA GLN B 31 -2.958 -4.554 -10.798 1.00 0.00 H new ATOM 0 HB2 GLN B 31 -4.850 -5.428 -9.606 1.00 0.00 H new ATOM 0 HB3 GLN B 31 -5.951 -5.029 -10.910 1.00 0.00 H new ATOM 0 HG2 GLN B 31 -5.701 -7.320 -11.146 1.00 0.00 H new ATOM 0 HG3 GLN B 31 -4.590 -6.685 -12.343 1.00 0.00 H new ATOM 0 HE21 GLN B 31 -4.992 -8.891 -9.818 1.00 0.00 H new ATOM 0 HE22 GLN B 31 -3.291 -9.281 -9.543 1.00 0.00 H new ATOM 1081 N ASP B 32 -4.672 -3.642 -13.435 1.00 0.00 N ATOM 1082 CA ASP B 32 -4.667 -3.611 -14.885 1.00 0.00 C ATOM 1083 C ASP B 32 -3.478 -2.802 -15.390 1.00 0.00 C ATOM 1084 O ASP B 32 -2.840 -3.156 -16.380 1.00 0.00 O ATOM 1085 CB ASP B 32 -5.941 -2.920 -15.352 1.00 0.00 C ATOM 1086 CG ASP B 32 -6.444 -3.503 -16.667 1.00 0.00 C ATOM 1087 OD1 ASP B 32 -6.986 -4.631 -16.626 1.00 0.00 O ATOM 1088 OD2 ASP B 32 -6.284 -2.819 -17.702 1.00 0.00 O ATOM 0 H ASP B 32 -5.358 -3.022 -13.005 1.00 0.00 H new ATOM 0 HA ASP B 32 -4.604 -4.630 -15.268 1.00 0.00 H new ATOM 0 HB2 ASP B 32 -6.712 -3.023 -14.589 1.00 0.00 H new ATOM 0 HB3 ASP B 32 -5.754 -1.853 -15.474 1.00 0.00 H new ATOM 1093 N LYS B 33 -3.198 -1.703 -14.683 1.00 0.00 N ATOM 1094 CA LYS B 33 -2.160 -0.755 -15.048 1.00 0.00 C ATOM 1095 C LYS B 33 -0.759 -1.221 -14.685 1.00 0.00 C ATOM 1096 O LYS B 33 0.195 -0.896 -15.390 1.00 0.00 O ATOM 1097 CB LYS B 33 -2.437 0.547 -14.302 1.00 0.00 C ATOM 1098 CG LYS B 33 -3.581 1.346 -14.917 1.00 0.00 C ATOM 1099 CD LYS B 33 -3.186 1.883 -16.291 1.00 0.00 C ATOM 1100 CE LYS B 33 -4.166 2.984 -16.678 1.00 0.00 C ATOM 1101 NZ LYS B 33 -3.960 3.438 -18.065 1.00 0.00 N ATOM 0 H LYS B 33 -3.697 -1.450 -13.830 1.00 0.00 H new ATOM 0 HA LYS B 33 -2.188 -0.638 -16.131 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -2.674 0.322 -13.262 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -1.534 1.158 -14.298 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -4.465 0.714 -15.008 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -3.847 2.174 -14.260 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -2.168 2.272 -16.268 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -3.204 1.082 -17.030 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -5.187 2.619 -16.563 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -4.051 3.828 -15.998 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -4.645 4.187 -18.291 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -2.994 3.810 -18.169 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -4.095 2.638 -18.716 1.00 0.00 H new ATOM 1115 N GLU B 34 -0.628 -1.977 -13.596 1.00 0.00 N ATOM 1116 CA GLU B 34 0.680 -2.368 -13.099 1.00 0.00 C ATOM 1117 C GLU B 34 0.818 -3.864 -12.835 1.00 0.00 C ATOM 1118 O GLU B 34 1.938 -4.339 -12.651 1.00 0.00 O ATOM 1119 CB GLU B 34 0.935 -1.623 -11.793 1.00 0.00 C ATOM 1120 CG GLU B 34 1.159 -0.126 -12.009 1.00 0.00 C ATOM 1121 CD GLU B 34 2.403 0.163 -12.846 1.00 0.00 C ATOM 1122 OE1 GLU B 34 3.424 -0.531 -12.631 1.00 0.00 O ATOM 1123 OE2 GLU B 34 2.325 1.076 -13.697 1.00 0.00 O ATOM 0 H GLU B 34 -1.412 -2.328 -13.046 1.00 0.00 H new ATOM 0 HA GLU B 34 1.404 -2.117 -13.874 1.00 0.00 H new ATOM 0 HB2 GLU B 34 0.087 -1.768 -11.124 1.00 0.00 H new ATOM 0 HB3 GLU B 34 1.807 -2.050 -11.299 1.00 0.00 H new ATOM 0 HG2 GLU B 34 0.286 0.302 -12.502 1.00 0.00 H new ATOM 0 HG3 GLU B 34 1.253 0.368 -11.042 1.00 0.00 H new ATOM 1130 N GLY B 35 -0.281 -4.620 -12.809 1.00 0.00 N ATOM 1131 CA GLY B 35 -0.162 -6.049 -12.558 1.00 0.00 C ATOM 1132 C GLY B 35 0.135 -6.301 -11.080 1.00 0.00 C ATOM 1133 O GLY B 35 0.967 -7.146 -10.745 1.00 0.00 O ATOM 0 H GLY B 35 -1.231 -4.278 -12.954 1.00 0.00 H new ATOM 0 HA2 GLY B 35 -1.085 -6.554 -12.842 1.00 0.00 H new ATOM 0 HA3 GLY B 35 0.634 -6.469 -13.173 1.00 0.00 H new ATOM 1137 N ILE B 36 -0.548 -5.564 -10.200 1.00 0.00 N ATOM 1138 CA ILE B 36 -0.386 -5.669 -8.762 1.00 0.00 C ATOM 1139 C ILE B 36 -1.699 -6.172 -8.187 1.00 0.00 C ATOM 1140 O ILE B 36 -2.756 -5.626 -8.496 1.00 0.00 O ATOM 1141 CB ILE B 36 -0.067 -4.292 -8.185 1.00 0.00 C ATOM 1142 CG1 ILE B 36 1.312 -3.849 -8.668 1.00 0.00 C ATOM 1143 CG2 ILE B 36 -0.100 -4.333 -6.653 1.00 0.00 C ATOM 1144 CD1 ILE B 36 1.491 -2.343 -8.478 1.00 0.00 C ATOM 0 H ILE B 36 -1.239 -4.868 -10.480 1.00 0.00 H new ATOM 0 HA ILE B 36 0.427 -6.351 -8.513 1.00 0.00 H new ATOM 0 HB ILE B 36 -0.818 -3.579 -8.526 1.00 0.00 H new ATOM 0 HG12 ILE B 36 2.085 -4.385 -8.118 1.00 0.00 H new ATOM 0 HG13 ILE B 36 1.434 -4.105 -9.720 1.00 0.00 H new ATOM 0 HG21 ILE B 36 0.130 -3.344 -6.258 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -1.092 -4.636 -6.318 1.00 0.00 H new ATOM 0 HG23 ILE B 36 0.639 -5.048 -6.292 1.00 0.00 H new ATOM 0 HD11 ILE B 36 2.480 -2.047 -8.828 1.00 0.00 H new ATOM 0 HD12 ILE B 36 0.730 -1.811 -9.049 1.00 0.00 H new ATOM 0 HD13 ILE B 36 1.391 -2.095 -7.421 1.00 0.00 H new ATOM 1156 N PRO B 37 -1.652 -7.208 -7.349 1.00 0.00 N ATOM 1157 CA PRO B 37 -2.842 -7.850 -6.846 1.00 0.00 C ATOM 1158 C PRO B 37 -3.562 -6.931 -5.869 1.00 0.00 C ATOM 1159 O PRO B 37 -2.924 -6.309 -5.020 1.00 0.00 O ATOM 1160 CB PRO B 37 -2.346 -9.117 -6.147 1.00 0.00 C ATOM 1161 CG PRO B 37 -0.921 -8.759 -5.729 1.00 0.00 C ATOM 1162 CD PRO B 37 -0.447 -7.828 -6.843 1.00 0.00 C ATOM 0 HA PRO B 37 -3.555 -8.082 -7.637 1.00 0.00 H new ATOM 0 HB2 PRO B 37 -2.965 -9.369 -5.286 1.00 0.00 H new ATOM 0 HB3 PRO B 37 -2.364 -9.978 -6.816 1.00 0.00 H new ATOM 0 HG2 PRO B 37 -0.900 -8.266 -4.757 1.00 0.00 H new ATOM 0 HG3 PRO B 37 -0.291 -9.645 -5.651 1.00 0.00 H new ATOM 0 HD2 PRO B 37 0.252 -7.082 -6.464 1.00 0.00 H new ATOM 0 HD3 PRO B 37 0.071 -8.381 -7.626 1.00 0.00 H new ATOM 1170 N PRO B 38 -4.893 -6.839 -5.975 1.00 0.00 N ATOM 1171 CA PRO B 38 -5.731 -6.156 -5.001 1.00 0.00 C ATOM 1172 C PRO B 38 -5.480 -6.658 -3.579 1.00 0.00 C ATOM 1173 O PRO B 38 -5.775 -5.955 -2.615 1.00 0.00 O ATOM 1174 CB PRO B 38 -7.174 -6.426 -5.441 1.00 0.00 C ATOM 1175 CG PRO B 38 -7.063 -7.605 -6.411 1.00 0.00 C ATOM 1176 CD PRO B 38 -5.703 -7.389 -7.046 1.00 0.00 C ATOM 0 HA PRO B 38 -5.510 -5.089 -4.972 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -7.810 -6.670 -4.590 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -7.612 -5.553 -5.925 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -7.120 -8.562 -5.893 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -7.862 -7.596 -7.152 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -5.286 -8.323 -7.421 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -5.763 -6.704 -7.892 1.00 0.00 H new ATOM 1184 N ASP B 39 -4.940 -7.873 -3.451 1.00 0.00 N ATOM 1185 CA ASP B 39 -4.607 -8.462 -2.162 1.00 0.00 C ATOM 1186 C ASP B 39 -3.370 -7.827 -1.513 1.00 0.00 C ATOM 1187 O ASP B 39 -3.191 -7.956 -0.302 1.00 0.00 O ATOM 1188 CB ASP B 39 -4.391 -9.960 -2.352 1.00 0.00 C ATOM 1189 CG ASP B 39 -4.159 -10.675 -1.023 1.00 0.00 C ATOM 1190 OD1 ASP B 39 -5.105 -10.700 -0.206 1.00 0.00 O ATOM 1191 OD2 ASP B 39 -3.033 -11.189 -0.836 1.00 0.00 O ATOM 0 H ASP B 39 -4.723 -8.474 -4.246 1.00 0.00 H new ATOM 0 HA ASP B 39 -5.439 -8.273 -1.483 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -5.259 -10.392 -2.850 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -3.535 -10.123 -3.006 1.00 0.00 H new ATOM 1196 N GLN B 40 -2.513 -7.143 -2.284 1.00 0.00 N ATOM 1197 CA GLN B 40 -1.299 -6.553 -1.718 1.00 0.00 C ATOM 1198 C GLN B 40 -1.304 -5.033 -1.764 1.00 0.00 C ATOM 1199 O GLN B 40 -0.647 -4.410 -0.935 1.00 0.00 O ATOM 1200 CB GLN B 40 -0.055 -7.089 -2.433 1.00 0.00 C ATOM 1201 CG GLN B 40 0.052 -8.590 -2.179 1.00 0.00 C ATOM 1202 CD GLN B 40 1.164 -9.268 -2.973 1.00 0.00 C ATOM 1203 OE1 GLN B 40 0.946 -10.298 -3.605 1.00 0.00 O ATOM 1204 NE2 GLN B 40 2.366 -8.708 -2.951 1.00 0.00 N ATOM 0 H GLN B 40 -2.637 -6.988 -3.284 1.00 0.00 H new ATOM 0 HA GLN B 40 -1.275 -6.846 -0.668 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -0.121 -6.891 -3.503 1.00 0.00 H new ATOM 0 HB3 GLN B 40 0.838 -6.580 -2.069 1.00 0.00 H new ATOM 0 HG2 GLN B 40 0.222 -8.758 -1.116 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -0.899 -9.061 -2.428 1.00 0.00 H new ATOM 0 HE21 GLN B 40 2.520 -7.852 -2.418 1.00 0.00 H new ATOM 0 HE22 GLN B 40 3.136 -9.133 -3.467 1.00 0.00 H new ATOM 1213 N GLN B 41 -2.016 -4.405 -2.698 1.00 0.00 N ATOM 1214 CA GLN B 41 -2.013 -2.952 -2.736 1.00 0.00 C ATOM 1215 C GLN B 41 -2.930 -2.371 -1.659 1.00 0.00 C ATOM 1216 O GLN B 41 -3.925 -2.979 -1.272 1.00 0.00 O ATOM 1217 CB GLN B 41 -2.384 -2.449 -4.129 1.00 0.00 C ATOM 1218 CG GLN B 41 -3.746 -2.958 -4.591 1.00 0.00 C ATOM 1219 CD GLN B 41 -4.070 -2.432 -5.980 1.00 0.00 C ATOM 1220 OE1 GLN B 41 -4.201 -1.230 -6.178 1.00 0.00 O ATOM 1221 NE2 GLN B 41 -4.206 -3.328 -6.955 1.00 0.00 N ATOM 0 H GLN B 41 -2.582 -4.863 -3.413 1.00 0.00 H new ATOM 0 HA GLN B 41 -1.003 -2.605 -2.518 1.00 0.00 H new ATOM 0 HB2 GLN B 41 -2.388 -1.359 -4.129 1.00 0.00 H new ATOM 0 HB3 GLN B 41 -1.621 -2.765 -4.841 1.00 0.00 H new ATOM 0 HG2 GLN B 41 -3.749 -4.048 -4.599 1.00 0.00 H new ATOM 0 HG3 GLN B 41 -4.516 -2.642 -3.888 1.00 0.00 H new ATOM 0 HE21 GLN B 41 -4.090 -4.321 -6.755 1.00 0.00 H new ATOM 0 HE22 GLN B 41 -4.426 -3.021 -7.903 1.00 0.00 H new ATOM 1230 N ARG B 42 -2.569 -1.175 -1.190 1.00 0.00 N ATOM 1231 CA ARG B 42 -3.326 -0.407 -0.207 1.00 0.00 C ATOM 1232 C ARG B 42 -3.429 1.023 -0.712 1.00 0.00 C ATOM 1233 O ARG B 42 -2.481 1.510 -1.326 1.00 0.00 O ATOM 1234 CB ARG B 42 -2.594 -0.418 1.133 1.00 0.00 C ATOM 1235 CG ARG B 42 -2.381 -1.835 1.668 1.00 0.00 C ATOM 1236 CD ARG B 42 -1.418 -1.791 2.852 1.00 0.00 C ATOM 1237 NE ARG B 42 -1.952 -1.000 3.969 1.00 0.00 N ATOM 1238 CZ ARG B 42 -1.435 -1.018 5.201 1.00 0.00 C ATOM 1239 NH1 ARG B 42 -0.370 -1.763 5.485 1.00 0.00 N ATOM 1240 NH2 ARG B 42 -1.983 -0.285 6.165 1.00 0.00 N ATOM 0 H ARG B 42 -1.717 -0.703 -1.494 1.00 0.00 H new ATOM 0 HA ARG B 42 -4.317 -0.841 -0.070 1.00 0.00 H new ATOM 0 HB2 ARG B 42 -1.628 0.074 1.021 1.00 0.00 H new ATOM 0 HB3 ARG B 42 -3.164 0.160 1.860 1.00 0.00 H new ATOM 0 HG2 ARG B 42 -3.334 -2.266 1.976 1.00 0.00 H new ATOM 0 HG3 ARG B 42 -1.980 -2.476 0.883 1.00 0.00 H new ATOM 0 HD2 ARG B 42 -1.215 -2.807 3.192 1.00 0.00 H new ATOM 0 HD3 ARG B 42 -0.467 -1.367 2.530 1.00 0.00 H new ATOM 0 HE ARG B 42 -2.762 -0.405 3.795 1.00 0.00 H new ATOM 0 HH11 ARG B 42 0.064 -2.331 4.757 1.00 0.00 H new ATOM 0 HH12 ARG B 42 0.013 -1.766 6.430 1.00 0.00 H new ATOM 0 HH21 ARG B 42 -2.800 0.293 5.965 1.00 0.00 H new ATOM 0 HH22 ARG B 42 -1.587 -0.300 7.105 1.00 0.00 H new ATOM 1254 N LEU B 43 -4.555 1.695 -0.467 1.00 0.00 N ATOM 1255 CA LEU B 43 -4.770 3.044 -0.972 1.00 0.00 C ATOM 1256 C LEU B 43 -4.951 4.012 0.188 1.00 0.00 C ATOM 1257 O LEU B 43 -5.489 3.652 1.235 1.00 0.00 O ATOM 1258 CB LEU B 43 -5.999 3.097 -1.890 1.00 0.00 C ATOM 1259 CG LEU B 43 -5.749 2.536 -3.294 1.00 0.00 C ATOM 1260 CD1 LEU B 43 -5.644 1.014 -3.312 1.00 0.00 C ATOM 1261 CD2 LEU B 43 -6.919 2.929 -4.189 1.00 0.00 C ATOM 0 H LEU B 43 -5.331 1.323 0.080 1.00 0.00 H new ATOM 0 HA LEU B 43 -3.894 3.334 -1.552 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -6.812 2.539 -1.426 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -6.332 4.131 -1.976 1.00 0.00 H new ATOM 0 HG LEU B 43 -4.802 2.947 -3.643 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -5.467 0.674 -4.332 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -4.817 0.699 -2.676 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -6.573 0.581 -2.941 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -6.757 2.537 -5.193 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -7.842 2.516 -3.783 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -6.996 4.015 -4.232 1.00 0.00 H new ATOM 1273 N ILE B 44 -4.491 5.249 -0.014 1.00 0.00 N ATOM 1274 CA ILE B 44 -4.517 6.298 0.996 1.00 0.00 C ATOM 1275 C ILE B 44 -4.703 7.645 0.292 1.00 0.00 C ATOM 1276 O ILE B 44 -4.308 7.787 -0.864 1.00 0.00 O ATOM 1277 CB ILE B 44 -3.197 6.255 1.791 1.00 0.00 C ATOM 1278 CG1 ILE B 44 -2.993 4.878 2.442 1.00 0.00 C ATOM 1279 CG2 ILE B 44 -3.189 7.351 2.855 1.00 0.00 C ATOM 1280 CD1 ILE B 44 -1.751 4.828 3.328 1.00 0.00 C ATOM 0 H ILE B 44 -4.084 5.550 -0.900 1.00 0.00 H new ATOM 0 HA ILE B 44 -5.341 6.154 1.694 1.00 0.00 H new ATOM 0 HB ILE B 44 -2.374 6.428 1.098 1.00 0.00 H new ATOM 0 HG12 ILE B 44 -3.871 4.628 3.038 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -2.910 4.120 1.663 1.00 0.00 H new ATOM 0 HG21 ILE B 44 -2.252 7.312 3.411 1.00 0.00 H new ATOM 0 HG22 ILE B 44 -3.286 8.325 2.375 1.00 0.00 H new ATOM 0 HG23 ILE B 44 -4.024 7.200 3.540 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -1.654 3.833 3.763 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -0.868 5.050 2.729 1.00 0.00 H new ATOM 0 HD13 ILE B 44 -1.843 5.565 4.125 1.00 0.00 H new ATOM 1292 N PHE B 45 -5.297 8.633 0.974 1.00 0.00 N ATOM 1293 CA PHE B 45 -5.524 9.942 0.367 1.00 0.00 C ATOM 1294 C PHE B 45 -5.194 11.092 1.314 1.00 0.00 C ATOM 1295 O PHE B 45 -5.217 12.256 0.920 1.00 0.00 O ATOM 1296 CB PHE B 45 -6.971 9.988 -0.138 1.00 0.00 C ATOM 1297 CG PHE B 45 -7.440 11.316 -0.689 1.00 0.00 C ATOM 1298 CD1 PHE B 45 -6.702 11.980 -1.677 1.00 0.00 C ATOM 1299 CD2 PHE B 45 -8.629 11.887 -0.208 1.00 0.00 C ATOM 1300 CE1 PHE B 45 -7.152 13.208 -2.181 1.00 0.00 C ATOM 1301 CE2 PHE B 45 -9.077 13.118 -0.708 1.00 0.00 C ATOM 1302 CZ PHE B 45 -8.338 13.778 -1.696 1.00 0.00 C ATOM 0 H PHE B 45 -5.625 8.548 1.936 1.00 0.00 H new ATOM 0 HA PHE B 45 -4.843 10.076 -0.474 1.00 0.00 H new ATOM 0 HB2 PHE B 45 -7.087 9.233 -0.916 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -7.630 9.705 0.682 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -5.786 11.546 -2.050 1.00 0.00 H new ATOM 0 HD2 PHE B 45 -9.202 11.375 0.551 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -6.584 13.717 -2.945 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -9.990 13.555 -0.332 1.00 0.00 H new ATOM 0 HZ PHE B 45 -8.681 14.726 -2.085 1.00 0.00 H new ATOM 1312 N ALA B 46 -4.886 10.748 2.562 1.00 0.00 N ATOM 1313 CA ALA B 46 -4.537 11.697 3.612 1.00 0.00 C ATOM 1314 C ALA B 46 -4.140 10.948 4.889 1.00 0.00 C ATOM 1315 O ALA B 46 -4.242 11.481 5.992 1.00 0.00 O ATOM 1316 CB ALA B 46 -5.729 12.622 3.859 1.00 0.00 C ATOM 0 H ALA B 46 -4.872 9.778 2.877 1.00 0.00 H new ATOM 0 HA ALA B 46 -3.682 12.298 3.303 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -5.479 13.336 4.643 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -5.969 13.159 2.942 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -6.591 12.030 4.169 1.00 0.00 H new ATOM 1322 N GLY B 47 -3.691 9.699 4.731 1.00 0.00 N ATOM 1323 CA GLY B 47 -3.471 8.774 5.835 1.00 0.00 C ATOM 1324 C GLY B 47 -4.794 8.212 6.352 1.00 0.00 C ATOM 1325 O GLY B 47 -4.800 7.414 7.286 1.00 0.00 O ATOM 0 H GLY B 47 -3.469 9.302 3.818 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -2.829 7.957 5.507 1.00 0.00 H new ATOM 0 HA3 GLY B 47 -2.948 9.285 6.644 1.00 0.00 H new ATOM 1329 N LYS B 48 -5.910 8.626 5.742 1.00 0.00 N ATOM 1330 CA LYS B 48 -7.248 8.166 6.105 1.00 0.00 C ATOM 1331 C LYS B 48 -7.579 6.862 5.392 1.00 0.00 C ATOM 1332 O LYS B 48 -8.706 6.657 4.950 1.00 0.00 O ATOM 1333 CB LYS B 48 -8.275 9.269 5.831 1.00 0.00 C ATOM 1334 CG LYS B 48 -8.554 9.559 4.353 1.00 0.00 C ATOM 1335 CD LYS B 48 -10.049 9.374 4.059 1.00 0.00 C ATOM 1336 CE LYS B 48 -10.449 10.074 2.761 1.00 0.00 C ATOM 1337 NZ LYS B 48 -10.428 11.541 2.923 1.00 0.00 N ATOM 0 H LYS B 48 -5.906 9.297 4.974 1.00 0.00 H new ATOM 0 HA LYS B 48 -7.282 7.953 7.173 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -9.214 8.995 6.313 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -7.930 10.188 6.305 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -8.249 10.577 4.109 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -7.965 8.891 3.725 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -10.279 8.311 3.988 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -10.637 9.773 4.886 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -9.767 9.783 1.962 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -11.447 9.752 2.462 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -10.980 11.982 2.160 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -10.843 11.795 3.842 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -9.446 11.881 2.881 1.00 0.00 H new ATOM 1351 N GLN B 49 -6.561 6.003 5.294 1.00 0.00 N ATOM 1352 CA GLN B 49 -6.536 4.763 4.532 1.00 0.00 C ATOM 1353 C GLN B 49 -7.943 4.235 4.252 1.00 0.00 C ATOM 1354 O GLN B 49 -8.645 3.790 5.162 1.00 0.00 O ATOM 1355 CB GLN B 49 -5.641 3.742 5.240 1.00 0.00 C ATOM 1356 CG GLN B 49 -4.460 4.432 5.939 1.00 0.00 C ATOM 1357 CD GLN B 49 -3.361 3.449 6.314 1.00 0.00 C ATOM 1358 OE1 GLN B 49 -3.555 2.234 6.306 1.00 0.00 O ATOM 1359 NE2 GLN B 49 -2.186 3.973 6.647 1.00 0.00 N ATOM 0 H GLN B 49 -5.679 6.171 5.778 1.00 0.00 H new ATOM 0 HA GLN B 49 -6.104 4.959 3.551 1.00 0.00 H new ATOM 0 HB2 GLN B 49 -6.227 3.186 5.972 1.00 0.00 H new ATOM 0 HB3 GLN B 49 -5.267 3.018 4.516 1.00 0.00 H new ATOM 0 HG2 GLN B 49 -4.050 5.200 5.283 1.00 0.00 H new ATOM 0 HG3 GLN B 49 -4.816 4.937 6.837 1.00 0.00 H new ATOM 0 HE21 GLN B 49 -2.059 4.985 6.643 1.00 0.00 H new ATOM 0 HE22 GLN B 49 -1.411 3.363 6.906 1.00 0.00 H new ATOM 1368 N LEU B 50 -8.340 4.303 2.978 1.00 0.00 N ATOM 1369 CA LEU B 50 -9.707 4.091 2.541 1.00 0.00 C ATOM 1370 C LEU B 50 -10.246 2.700 2.876 1.00 0.00 C ATOM 1371 O LEU B 50 -9.499 1.760 3.145 1.00 0.00 O ATOM 1372 CB LEU B 50 -9.822 4.364 1.035 1.00 0.00 C ATOM 1373 CG LEU B 50 -9.377 5.760 0.564 1.00 0.00 C ATOM 1374 CD1 LEU B 50 -9.957 6.863 1.442 1.00 0.00 C ATOM 1375 CD2 LEU B 50 -7.861 5.932 0.525 1.00 0.00 C ATOM 0 H LEU B 50 -7.700 4.512 2.212 1.00 0.00 H new ATOM 0 HA LEU B 50 -10.326 4.796 3.096 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -9.230 3.618 0.505 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -10.860 4.216 0.738 1.00 0.00 H new ATOM 0 HG LEU B 50 -9.761 5.844 -0.453 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -9.620 7.833 1.077 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -11.046 6.821 1.408 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -9.621 6.725 2.470 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -7.618 6.938 0.184 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -7.452 5.778 1.523 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -7.430 5.203 -0.161 1.00 0.00 H new ATOM 1387 N GLU B 51 -11.577 2.601 2.851 1.00 0.00 N ATOM 1388 CA GLU B 51 -12.346 1.410 3.179 1.00 0.00 C ATOM 1389 C GLU B 51 -12.410 0.444 1.994 1.00 0.00 C ATOM 1390 O GLU B 51 -11.561 0.471 1.107 1.00 0.00 O ATOM 1391 CB GLU B 51 -13.750 1.849 3.592 1.00 0.00 C ATOM 1392 CG GLU B 51 -13.679 2.727 4.838 1.00 0.00 C ATOM 1393 CD GLU B 51 -13.188 1.952 6.060 1.00 0.00 C ATOM 1394 OE1 GLU B 51 -13.908 1.020 6.481 1.00 0.00 O ATOM 1395 OE2 GLU B 51 -12.095 2.295 6.569 1.00 0.00 O ATOM 0 H GLU B 51 -12.170 3.388 2.589 1.00 0.00 H new ATOM 0 HA GLU B 51 -11.861 0.878 3.997 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -14.222 2.398 2.777 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -14.370 0.974 3.789 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -13.012 3.568 4.651 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -14.665 3.142 5.045 1.00 0.00 H new ATOM 1402 N ASP B 52 -13.433 -0.417 1.984 1.00 0.00 N ATOM 1403 CA ASP B 52 -13.655 -1.405 0.939 1.00 0.00 C ATOM 1404 C ASP B 52 -15.145 -1.528 0.594 1.00 0.00 C ATOM 1405 O ASP B 52 -15.552 -2.493 -0.050 1.00 0.00 O ATOM 1406 CB ASP B 52 -13.084 -2.741 1.408 1.00 0.00 C ATOM 1407 CG ASP B 52 -13.650 -3.167 2.762 1.00 0.00 C ATOM 1408 OD1 ASP B 52 -14.786 -3.689 2.781 1.00 0.00 O ATOM 1409 OD2 ASP B 52 -12.939 -2.965 3.772 1.00 0.00 O ATOM 0 H ASP B 52 -14.140 -0.442 2.719 1.00 0.00 H new ATOM 0 HA ASP B 52 -13.148 -1.090 0.027 1.00 0.00 H new ATOM 0 HB2 ASP B 52 -13.304 -3.509 0.666 1.00 0.00 H new ATOM 0 HB3 ASP B 52 -11.999 -2.666 1.477 1.00 0.00 H new ATOM 1414 N GLY B 53 -15.961 -0.556 1.020 1.00 0.00 N ATOM 1415 CA GLY B 53 -17.401 -0.563 0.788 1.00 0.00 C ATOM 1416 C GLY B 53 -17.946 0.852 0.594 1.00 0.00 C ATOM 1417 O GLY B 53 -19.143 1.086 0.753 1.00 0.00 O ATOM 0 H GLY B 53 -15.634 0.260 1.538 1.00 0.00 H new ATOM 0 HA2 GLY B 53 -17.625 -1.164 -0.093 1.00 0.00 H new ATOM 0 HA3 GLY B 53 -17.904 -1.035 1.632 1.00 0.00 H new ATOM 1421 N ARG B 54 -17.060 1.793 0.254 1.00 0.00 N ATOM 1422 CA ARG B 54 -17.353 3.204 0.065 1.00 0.00 C ATOM 1423 C ARG B 54 -17.218 3.588 -1.406 1.00 0.00 C ATOM 1424 O ARG B 54 -17.199 2.715 -2.275 1.00 0.00 O ATOM 1425 CB ARG B 54 -16.324 3.965 0.888 1.00 0.00 C ATOM 1426 CG ARG B 54 -16.552 3.814 2.384 1.00 0.00 C ATOM 1427 CD ARG B 54 -17.849 4.521 2.771 1.00 0.00 C ATOM 1428 NE ARG B 54 -17.723 5.174 4.075 1.00 0.00 N ATOM 1429 CZ ARG B 54 -17.989 4.602 5.250 1.00 0.00 C ATOM 1430 NH1 ARG B 54 -18.406 3.339 5.316 1.00 0.00 N ATOM 1431 NH2 ARG B 54 -17.839 5.296 6.375 1.00 0.00 N ATOM 0 H ARG B 54 -16.076 1.575 0.098 1.00 0.00 H new ATOM 0 HA ARG B 54 -18.372 3.435 0.374 1.00 0.00 H new ATOM 0 HB2 ARG B 54 -15.325 3.607 0.637 1.00 0.00 H new ATOM 0 HB3 ARG B 54 -16.360 5.022 0.623 1.00 0.00 H new ATOM 0 HG2 ARG B 54 -16.606 2.758 2.650 1.00 0.00 H new ATOM 0 HG3 ARG B 54 -15.714 4.239 2.936 1.00 0.00 H new ATOM 0 HD2 ARG B 54 -18.104 5.262 2.013 1.00 0.00 H new ATOM 0 HD3 ARG B 54 -18.666 3.800 2.799 1.00 0.00 H new ATOM 0 HE ARG B 54 -17.407 6.144 4.086 1.00 0.00 H new ATOM 0 HH11 ARG B 54 -18.526 2.796 4.461 1.00 0.00 H new ATOM 0 HH12 ARG B 54 -18.606 2.915 6.222 1.00 0.00 H new ATOM 0 HH21 ARG B 54 -17.521 6.264 6.338 1.00 0.00 H new ATOM 0 HH22 ARG B 54 -18.042 4.860 7.274 1.00 0.00 H new ATOM 1445 N THR B 55 -17.125 4.891 -1.688 1.00 0.00 N ATOM 1446 CA THR B 55 -16.999 5.392 -3.055 1.00 0.00 C ATOM 1447 C THR B 55 -16.087 6.605 -3.102 1.00 0.00 C ATOM 1448 O THR B 55 -15.825 7.227 -2.077 1.00 0.00 O ATOM 1449 CB THR B 55 -18.359 5.799 -3.617 1.00 0.00 C ATOM 1450 OG1 THR B 55 -19.022 6.654 -2.715 1.00 0.00 O ATOM 1451 CG2 THR B 55 -19.218 4.573 -3.888 1.00 0.00 C ATOM 0 H THR B 55 -17.135 5.623 -0.977 1.00 0.00 H new ATOM 0 HA THR B 55 -16.578 4.585 -3.654 1.00 0.00 H new ATOM 0 HB THR B 55 -18.195 6.326 -4.557 1.00 0.00 H new ATOM 0 HG1 THR B 55 -19.892 6.910 -3.086 1.00 0.00 H new ATOM 0 HG21 THR B 55 -20.183 4.886 -4.288 1.00 0.00 H new ATOM 0 HG22 THR B 55 -18.716 3.930 -4.611 1.00 0.00 H new ATOM 0 HG23 THR B 55 -19.371 4.024 -2.959 1.00 0.00 H new ATOM 1459 N LEU B 56 -15.603 6.941 -4.304 1.00 0.00 N ATOM 1460 CA LEU B 56 -14.685 8.058 -4.495 1.00 0.00 C ATOM 1461 C LEU B 56 -15.335 9.332 -3.961 1.00 0.00 C ATOM 1462 O LEU B 56 -14.689 10.164 -3.325 1.00 0.00 O ATOM 1463 CB LEU B 56 -14.406 8.224 -5.994 1.00 0.00 C ATOM 1464 CG LEU B 56 -13.522 7.142 -6.632 1.00 0.00 C ATOM 1465 CD1 LEU B 56 -12.067 7.352 -6.220 1.00 0.00 C ATOM 1466 CD2 LEU B 56 -13.925 5.710 -6.278 1.00 0.00 C ATOM 0 H LEU B 56 -15.838 6.446 -5.164 1.00 0.00 H new ATOM 0 HA LEU B 56 -13.752 7.869 -3.964 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -15.359 8.246 -6.522 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -13.932 9.193 -6.151 1.00 0.00 H new ATOM 0 HG LEU B 56 -13.656 7.253 -7.708 1.00 0.00 H new ATOM 0 HD11 LEU B 56 -11.445 6.582 -6.676 1.00 0.00 H new ATOM 0 HD12 LEU B 56 -11.732 8.334 -6.555 1.00 0.00 H new ATOM 0 HD13 LEU B 56 -11.984 7.291 -5.135 1.00 0.00 H new ATOM 0 HD21 LEU B 56 -13.250 5.010 -6.770 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -13.868 5.572 -5.198 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -14.946 5.526 -6.613 1.00 0.00 H new ATOM 1478 N SER B 57 -16.635 9.466 -4.231 1.00 0.00 N ATOM 1479 CA SER B 57 -17.453 10.578 -3.769 1.00 0.00 C ATOM 1480 C SER B 57 -17.481 10.674 -2.245 1.00 0.00 C ATOM 1481 O SER B 57 -17.583 11.767 -1.692 1.00 0.00 O ATOM 1482 CB SER B 57 -18.875 10.376 -4.285 1.00 0.00 C ATOM 1483 OG SER B 57 -19.638 11.547 -4.085 1.00 0.00 O ATOM 0 H SER B 57 -17.155 8.788 -4.789 1.00 0.00 H new ATOM 0 HA SER B 57 -17.022 11.504 -4.149 1.00 0.00 H new ATOM 0 HB2 SER B 57 -18.852 10.125 -5.345 1.00 0.00 H new ATOM 0 HB3 SER B 57 -19.341 9.537 -3.768 1.00 0.00 H new ATOM 0 HG SER B 57 -20.548 11.406 -4.421 1.00 0.00 H new ATOM 1489 N ASP B 58 -17.389 9.532 -1.558 1.00 0.00 N ATOM 1490 CA ASP B 58 -17.413 9.499 -0.100 1.00 0.00 C ATOM 1491 C ASP B 58 -16.192 10.196 0.499 1.00 0.00 C ATOM 1492 O ASP B 58 -16.183 10.514 1.688 1.00 0.00 O ATOM 1493 CB ASP B 58 -17.490 8.057 0.396 1.00 0.00 C ATOM 1494 CG ASP B 58 -17.831 8.003 1.882 1.00 0.00 C ATOM 1495 OD1 ASP B 58 -18.983 8.355 2.222 1.00 0.00 O ATOM 1496 OD2 ASP B 58 -16.940 7.615 2.670 1.00 0.00 O ATOM 0 H ASP B 58 -17.297 8.615 -1.995 1.00 0.00 H new ATOM 0 HA ASP B 58 -18.301 10.039 0.228 1.00 0.00 H new ATOM 0 HB2 ASP B 58 -18.244 7.514 -0.173 1.00 0.00 H new ATOM 0 HB3 ASP B 58 -16.537 7.558 0.220 1.00 0.00 H new ATOM 1501 N TYR B 59 -15.157 10.439 -0.314 1.00 0.00 N ATOM 1502 CA TYR B 59 -13.947 11.103 0.132 1.00 0.00 C ATOM 1503 C TYR B 59 -13.797 12.465 -0.547 1.00 0.00 C ATOM 1504 O TYR B 59 -12.749 13.096 -0.437 1.00 0.00 O ATOM 1505 CB TYR B 59 -12.746 10.222 -0.203 1.00 0.00 C ATOM 1506 CG TYR B 59 -13.013 8.736 -0.223 1.00 0.00 C ATOM 1507 CD1 TYR B 59 -13.296 8.032 0.953 1.00 0.00 C ATOM 1508 CD2 TYR B 59 -12.976 8.064 -1.448 1.00 0.00 C ATOM 1509 CE1 TYR B 59 -13.525 6.655 0.909 1.00 0.00 C ATOM 1510 CE2 TYR B 59 -13.189 6.681 -1.506 1.00 0.00 C ATOM 1511 CZ TYR B 59 -13.473 5.979 -0.322 1.00 0.00 C ATOM 1512 OH TYR B 59 -13.692 4.643 -0.369 1.00 0.00 O ATOM 0 H TYR B 59 -15.144 10.177 -1.300 1.00 0.00 H new ATOM 0 HA TYR B 59 -14.003 11.263 1.209 1.00 0.00 H new ATOM 0 HB2 TYR B 59 -12.362 10.517 -1.180 1.00 0.00 H new ATOM 0 HB3 TYR B 59 -11.958 10.422 0.523 1.00 0.00 H new ATOM 0 HD1 TYR B 59 -13.337 8.555 1.897 1.00 0.00 H new ATOM 0 HD2 TYR B 59 -12.782 8.615 -2.356 1.00 0.00 H new ATOM 0 HE1 TYR B 59 -13.741 6.112 1.817 1.00 0.00 H new ATOM 0 HE2 TYR B 59 -13.136 6.160 -2.450 1.00 0.00 H new ATOM 0 HH TYR B 59 -14.085 4.406 -1.235 1.00 0.00 H new ATOM 1522 N ASN B 60 -14.845 12.912 -1.250 1.00 0.00 N ATOM 1523 CA ASN B 60 -14.835 14.110 -2.074 1.00 0.00 C ATOM 1524 C ASN B 60 -13.661 14.112 -3.058 1.00 0.00 C ATOM 1525 O ASN B 60 -13.208 15.165 -3.501 1.00 0.00 O ATOM 1526 CB ASN B 60 -14.879 15.350 -1.181 1.00 0.00 C ATOM 1527 CG ASN B 60 -15.233 16.598 -1.979 1.00 0.00 C ATOM 1528 OD1 ASN B 60 -16.301 16.672 -2.579 1.00 0.00 O ATOM 1529 ND2 ASN B 60 -14.345 17.588 -1.997 1.00 0.00 N ATOM 0 H ASN B 60 -15.745 12.431 -1.256 1.00 0.00 H new ATOM 0 HA ASN B 60 -15.730 14.124 -2.697 1.00 0.00 H new ATOM 0 HB2 ASN B 60 -15.612 15.203 -0.388 1.00 0.00 H new ATOM 0 HB3 ASN B 60 -13.911 15.487 -0.699 1.00 0.00 H new ATOM 0 HD21 ASN B 60 -14.543 18.441 -2.520 1.00 0.00 H new ATOM 0 HD22 ASN B 60 -13.466 17.494 -1.487 1.00 0.00 H new ATOM 1536 N ILE B 61 -13.166 12.920 -3.400 1.00 0.00 N ATOM 1537 CA ILE B 61 -12.113 12.750 -4.386 1.00 0.00 C ATOM 1538 C ILE B 61 -12.643 13.109 -5.772 1.00 0.00 C ATOM 1539 O ILE B 61 -13.651 12.566 -6.221 1.00 0.00 O ATOM 1540 CB ILE B 61 -11.604 11.305 -4.321 1.00 0.00 C ATOM 1541 CG1 ILE B 61 -10.577 11.244 -3.185 1.00 0.00 C ATOM 1542 CG2 ILE B 61 -10.976 10.857 -5.640 1.00 0.00 C ATOM 1543 CD1 ILE B 61 -10.100 9.823 -2.904 1.00 0.00 C ATOM 0 H ILE B 61 -13.492 12.043 -2.993 1.00 0.00 H new ATOM 0 HA ILE B 61 -11.277 13.417 -4.175 1.00 0.00 H new ATOM 0 HB ILE B 61 -12.438 10.627 -4.138 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -9.720 11.867 -3.440 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -11.017 11.662 -2.279 1.00 0.00 H new ATOM 0 HG21 ILE B 61 -10.630 9.828 -5.547 1.00 0.00 H new ATOM 0 HG22 ILE B 61 -11.718 10.920 -6.436 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -10.132 11.504 -5.879 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -9.374 9.837 -2.091 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -10.951 9.203 -2.620 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -9.634 9.412 -3.799 1.00 0.00 H new ATOM 1555 N GLN B 62 -11.947 14.029 -6.442 1.00 0.00 N ATOM 1556 CA GLN B 62 -12.208 14.405 -7.820 1.00 0.00 C ATOM 1557 C GLN B 62 -11.285 13.590 -8.725 1.00 0.00 C ATOM 1558 O GLN B 62 -10.677 12.625 -8.267 1.00 0.00 O ATOM 1559 CB GLN B 62 -11.978 15.904 -7.996 1.00 0.00 C ATOM 1560 CG GLN B 62 -12.683 16.688 -6.887 1.00 0.00 C ATOM 1561 CD GLN B 62 -14.176 16.390 -6.809 1.00 0.00 C ATOM 1562 OE1 GLN B 62 -14.874 16.369 -7.819 1.00 0.00 O ATOM 1563 NE2 GLN B 62 -14.672 16.154 -5.598 1.00 0.00 N ATOM 0 H GLN B 62 -11.169 14.541 -6.026 1.00 0.00 H new ATOM 0 HA GLN B 62 -13.244 14.195 -8.088 1.00 0.00 H new ATOM 0 HB2 GLN B 62 -10.909 16.119 -7.978 1.00 0.00 H new ATOM 0 HB3 GLN B 62 -12.351 16.223 -8.969 1.00 0.00 H new ATOM 0 HG2 GLN B 62 -12.219 16.450 -5.930 1.00 0.00 H new ATOM 0 HG3 GLN B 62 -12.539 17.755 -7.055 1.00 0.00 H new ATOM 0 HE21 GLN B 62 -14.060 16.180 -4.782 1.00 0.00 H new ATOM 0 HE22 GLN B 62 -15.664 15.947 -5.485 1.00 0.00 H new ATOM 1572 N LYS B 63 -11.170 13.963 -10.003 1.00 0.00 N ATOM 1573 CA LYS B 63 -10.310 13.249 -10.941 1.00 0.00 C ATOM 1574 C LYS B 63 -8.832 13.318 -10.533 1.00 0.00 C ATOM 1575 O LYS B 63 -8.363 12.472 -9.783 1.00 0.00 O ATOM 1576 CB LYS B 63 -10.615 13.706 -12.371 1.00 0.00 C ATOM 1577 CG LYS B 63 -10.409 15.199 -12.640 1.00 0.00 C ATOM 1578 CD LYS B 63 -11.254 15.603 -13.844 1.00 0.00 C ATOM 1579 CE LYS B 63 -12.712 15.808 -13.424 1.00 0.00 C ATOM 1580 NZ LYS B 63 -13.541 16.253 -14.564 1.00 0.00 N ATOM 0 H LYS B 63 -11.664 14.758 -10.409 1.00 0.00 H new ATOM 0 HA LYS B 63 -10.534 12.183 -10.909 1.00 0.00 H new ATOM 0 HB2 LYS B 63 -9.985 13.140 -13.058 1.00 0.00 H new ATOM 0 HB3 LYS B 63 -11.649 13.451 -12.603 1.00 0.00 H new ATOM 0 HG2 LYS B 63 -10.695 15.783 -11.765 1.00 0.00 H new ATOM 0 HG3 LYS B 63 -9.356 15.406 -12.831 1.00 0.00 H new ATOM 0 HD2 LYS B 63 -10.862 16.521 -14.281 1.00 0.00 H new ATOM 0 HD3 LYS B 63 -11.195 14.833 -14.613 1.00 0.00 H new ATOM 0 HE2 LYS B 63 -13.112 14.877 -13.023 1.00 0.00 H new ATOM 0 HE3 LYS B 63 -12.762 16.547 -12.625 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 -14.523 16.383 -14.249 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 -13.172 17.154 -14.930 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 -13.511 15.535 -15.316 1.00 0.00 H new ATOM 1594 N GLU B 64 -8.075 14.309 -11.003 1.00 0.00 N ATOM 1595 CA GLU B 64 -6.647 14.447 -10.731 1.00 0.00 C ATOM 1596 C GLU B 64 -6.331 14.760 -9.259 1.00 0.00 C ATOM 1597 O GLU B 64 -5.260 15.287 -8.963 1.00 0.00 O ATOM 1598 CB GLU B 64 -6.064 15.506 -11.666 1.00 0.00 C ATOM 1599 CG GLU B 64 -6.743 16.859 -11.457 1.00 0.00 C ATOM 1600 CD GLU B 64 -6.148 17.922 -12.374 1.00 0.00 C ATOM 1601 OE1 GLU B 64 -6.635 18.037 -13.522 1.00 0.00 O ATOM 1602 OE2 GLU B 64 -5.209 18.616 -11.923 1.00 0.00 O ATOM 0 H GLU B 64 -8.446 15.052 -11.595 1.00 0.00 H new ATOM 0 HA GLU B 64 -6.177 13.482 -10.922 1.00 0.00 H new ATOM 0 HB2 GLU B 64 -4.993 15.602 -11.489 1.00 0.00 H new ATOM 0 HB3 GLU B 64 -6.188 15.189 -12.702 1.00 0.00 H new ATOM 0 HG2 GLU B 64 -7.812 16.766 -11.649 1.00 0.00 H new ATOM 0 HG3 GLU B 64 -6.632 17.168 -10.418 1.00 0.00 H new ATOM 1609 N SER B 65 -7.242 14.448 -8.331 1.00 0.00 N ATOM 1610 CA SER B 65 -7.054 14.701 -6.904 1.00 0.00 C ATOM 1611 C SER B 65 -5.808 14.017 -6.340 1.00 0.00 C ATOM 1612 O SER B 65 -5.355 14.391 -5.262 1.00 0.00 O ATOM 1613 CB SER B 65 -8.283 14.215 -6.141 1.00 0.00 C ATOM 1614 OG SER B 65 -9.332 15.143 -6.308 1.00 0.00 O ATOM 0 H SER B 65 -8.136 14.010 -8.554 1.00 0.00 H new ATOM 0 HA SER B 65 -6.918 15.775 -6.781 1.00 0.00 H new ATOM 0 HB2 SER B 65 -8.588 13.234 -6.506 1.00 0.00 H new ATOM 0 HB3 SER B 65 -8.047 14.102 -5.083 1.00 0.00 H new ATOM 0 HG SER B 65 -9.604 15.491 -5.433 1.00 0.00 H new ATOM 1620 N THR B 66 -5.266 13.031 -7.067 1.00 0.00 N ATOM 1621 CA THR B 66 -4.088 12.253 -6.688 1.00 0.00 C ATOM 1622 C THR B 66 -4.320 11.432 -5.418 1.00 0.00 C ATOM 1623 O THR B 66 -5.067 11.824 -4.522 1.00 0.00 O ATOM 1624 CB THR B 66 -2.877 13.190 -6.538 1.00 0.00 C ATOM 1625 OG1 THR B 66 -2.707 13.929 -7.730 1.00 0.00 O ATOM 1626 CG2 THR B 66 -1.577 12.436 -6.257 1.00 0.00 C ATOM 0 H THR B 66 -5.653 12.746 -7.967 1.00 0.00 H new ATOM 0 HA THR B 66 -3.885 11.534 -7.482 1.00 0.00 H new ATOM 0 HB THR B 66 -3.083 13.840 -5.688 1.00 0.00 H new ATOM 0 HG1 THR B 66 -1.937 14.528 -7.636 1.00 0.00 H new ATOM 0 HG21 THR B 66 -0.757 13.148 -6.161 1.00 0.00 H new ATOM 0 HG22 THR B 66 -1.677 11.871 -5.331 1.00 0.00 H new ATOM 0 HG23 THR B 66 -1.368 11.751 -7.079 1.00 0.00 H new ATOM 1634 N LEU B 67 -3.663 10.274 -5.348 1.00 0.00 N ATOM 1635 CA LEU B 67 -3.682 9.380 -4.199 1.00 0.00 C ATOM 1636 C LEU B 67 -2.313 8.723 -4.088 1.00 0.00 C ATOM 1637 O LEU B 67 -1.406 9.026 -4.862 1.00 0.00 O ATOM 1638 CB LEU B 67 -4.758 8.291 -4.352 1.00 0.00 C ATOM 1639 CG LEU B 67 -6.183 8.787 -4.079 1.00 0.00 C ATOM 1640 CD1 LEU B 67 -6.872 9.216 -5.375 1.00 0.00 C ATOM 1641 CD2 LEU B 67 -6.985 7.639 -3.463 1.00 0.00 C ATOM 0 H LEU B 67 -3.087 9.925 -6.114 1.00 0.00 H new ATOM 0 HA LEU B 67 -3.916 9.956 -3.304 1.00 0.00 H new ATOM 0 HB2 LEU B 67 -4.711 7.887 -5.363 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -4.532 7.471 -3.670 1.00 0.00 H new ATOM 0 HG LEU B 67 -6.134 9.643 -3.407 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -7.881 9.563 -5.153 1.00 0.00 H new ATOM 0 HD12 LEU B 67 -6.304 10.023 -5.839 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -6.922 8.368 -6.058 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -8.003 7.973 -3.262 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -7.010 6.799 -4.157 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -6.515 7.326 -2.531 1.00 0.00 H new ATOM 1653 N HIS B 68 -2.163 7.814 -3.124 1.00 0.00 N ATOM 1654 CA HIS B 68 -0.932 7.070 -2.934 1.00 0.00 C ATOM 1655 C HIS B 68 -1.241 5.587 -2.834 1.00 0.00 C ATOM 1656 O HIS B 68 -2.386 5.194 -2.611 1.00 0.00 O ATOM 1657 CB HIS B 68 -0.231 7.537 -1.660 1.00 0.00 C ATOM 1658 CG HIS B 68 0.184 8.982 -1.709 1.00 0.00 C ATOM 1659 ND1 HIS B 68 -0.588 10.067 -1.284 1.00 0.00 N ATOM 1660 CD2 HIS B 68 1.382 9.437 -2.178 1.00 0.00 C ATOM 1661 CE1 HIS B 68 0.170 11.152 -1.510 1.00 0.00 C ATOM 1662 NE2 HIS B 68 1.354 10.806 -2.047 1.00 0.00 N ATOM 0 H HIS B 68 -2.896 7.578 -2.456 1.00 0.00 H new ATOM 0 HA HIS B 68 -0.275 7.245 -3.786 1.00 0.00 H new ATOM 0 HB2 HIS B 68 -0.896 7.385 -0.810 1.00 0.00 H new ATOM 0 HB3 HIS B 68 0.650 6.918 -1.490 1.00 0.00 H new ATOM 0 HD2 HIS B 68 2.191 8.841 -2.573 1.00 0.00 H new ATOM 0 HE1 HIS B 68 -0.130 12.166 -1.290 1.00 0.00 H new ATOM 0 HE2 HIS B 68 2.102 11.448 -2.311 1.00 0.00 H new ATOM 1670 N LEU B 69 -0.202 4.767 -3.001 1.00 0.00 N ATOM 1671 CA LEU B 69 -0.324 3.325 -2.933 1.00 0.00 C ATOM 1672 C LEU B 69 0.737 2.750 -1.999 1.00 0.00 C ATOM 1673 O LEU B 69 1.822 3.313 -1.867 1.00 0.00 O ATOM 1674 CB LEU B 69 -0.176 2.769 -4.352 1.00 0.00 C ATOM 1675 CG LEU B 69 -0.932 1.456 -4.545 1.00 0.00 C ATOM 1676 CD1 LEU B 69 -2.436 1.716 -4.538 1.00 0.00 C ATOM 1677 CD2 LEU B 69 -0.551 0.859 -5.898 1.00 0.00 C ATOM 0 H LEU B 69 0.746 5.093 -3.187 1.00 0.00 H new ATOM 0 HA LEU B 69 -1.297 3.041 -2.531 1.00 0.00 H new ATOM 0 HB2 LEU B 69 -0.543 3.505 -5.068 1.00 0.00 H new ATOM 0 HB3 LEU B 69 0.881 2.612 -4.569 1.00 0.00 H new ATOM 0 HG LEU B 69 -0.674 0.772 -3.737 1.00 0.00 H new ATOM 0 HD11 LEU B 69 -2.969 0.775 -4.676 1.00 0.00 H new ATOM 0 HD12 LEU B 69 -2.724 2.159 -3.585 1.00 0.00 H new ATOM 0 HD13 LEU B 69 -2.691 2.399 -5.348 1.00 0.00 H new ATOM 0 HD21 LEU B 69 -1.086 -0.079 -6.045 1.00 0.00 H new ATOM 0 HD22 LEU B 69 -0.817 1.557 -6.692 1.00 0.00 H new ATOM 0 HD23 LEU B 69 0.523 0.673 -5.924 1.00 0.00 H new ATOM 1689 N VAL B 70 0.422 1.622 -1.356 1.00 0.00 N ATOM 1690 CA VAL B 70 1.330 0.968 -0.422 1.00 0.00 C ATOM 1691 C VAL B 70 1.219 -0.544 -0.578 1.00 0.00 C ATOM 1692 O VAL B 70 0.372 -1.179 0.045 1.00 0.00 O ATOM 1693 CB VAL B 70 1.026 1.364 1.030 1.00 0.00 C ATOM 1694 CG1 VAL B 70 2.232 0.997 1.890 1.00 0.00 C ATOM 1695 CG2 VAL B 70 0.700 2.847 1.191 1.00 0.00 C ATOM 0 H VAL B 70 -0.470 1.140 -1.471 1.00 0.00 H new ATOM 0 HA VAL B 70 2.345 1.292 -0.652 1.00 0.00 H new ATOM 0 HB VAL B 70 0.136 0.821 1.348 1.00 0.00 H new ATOM 0 HG11 VAL B 70 2.036 1.271 2.927 1.00 0.00 H new ATOM 0 HG12 VAL B 70 2.412 -0.076 1.826 1.00 0.00 H new ATOM 0 HG13 VAL B 70 3.111 1.534 1.533 1.00 0.00 H new ATOM 0 HG21 VAL B 70 0.495 3.063 2.240 1.00 0.00 H new ATOM 0 HG22 VAL B 70 1.548 3.444 0.857 1.00 0.00 H new ATOM 0 HG23 VAL B 70 -0.176 3.094 0.592 1.00 0.00 H new ATOM 1705 N LEU B 71 2.075 -1.130 -1.416 1.00 0.00 N ATOM 1706 CA LEU B 71 2.044 -2.561 -1.663 1.00 0.00 C ATOM 1707 C LEU B 71 2.499 -3.348 -0.438 1.00 0.00 C ATOM 1708 O LEU B 71 3.330 -2.877 0.339 1.00 0.00 O ATOM 1709 CB LEU B 71 2.955 -2.883 -2.849 1.00 0.00 C ATOM 1710 CG LEU B 71 2.657 -2.018 -4.078 1.00 0.00 C ATOM 1711 CD1 LEU B 71 3.384 -2.597 -5.289 1.00 0.00 C ATOM 1712 CD2 LEU B 71 1.160 -1.963 -4.364 1.00 0.00 C ATOM 0 H LEU B 71 2.798 -0.629 -1.933 1.00 0.00 H new ATOM 0 HA LEU B 71 1.017 -2.851 -1.885 1.00 0.00 H new ATOM 0 HB2 LEU B 71 3.994 -2.740 -2.553 1.00 0.00 H new ATOM 0 HB3 LEU B 71 2.841 -3.934 -3.114 1.00 0.00 H new ATOM 0 HG LEU B 71 3.004 -1.004 -3.878 1.00 0.00 H new ATOM 0 HD11 LEU B 71 3.175 -1.985 -6.166 1.00 0.00 H new ATOM 0 HD12 LEU B 71 4.457 -2.605 -5.100 1.00 0.00 H new ATOM 0 HD13 LEU B 71 3.040 -3.616 -5.467 1.00 0.00 H new ATOM 0 HD21 LEU B 71 0.980 -1.342 -5.242 1.00 0.00 H new ATOM 0 HD22 LEU B 71 0.788 -2.971 -4.550 1.00 0.00 H new ATOM 0 HD23 LEU B 71 0.641 -1.537 -3.505 1.00 0.00 H new ATOM 1724 N ARG B 72 1.954 -4.556 -0.267 1.00 0.00 N ATOM 1725 CA ARG B 72 2.428 -5.505 0.724 1.00 0.00 C ATOM 1726 C ARG B 72 3.485 -6.339 0.010 1.00 0.00 C ATOM 1727 O ARG B 72 3.141 -7.103 -0.885 1.00 0.00 O ATOM 1728 CB ARG B 72 1.251 -6.370 1.178 1.00 0.00 C ATOM 1729 CG ARG B 72 0.236 -5.551 1.977 1.00 0.00 C ATOM 1730 CD ARG B 72 -1.024 -6.377 2.251 1.00 0.00 C ATOM 1731 NE ARG B 72 -0.735 -7.564 3.068 1.00 0.00 N ATOM 1732 CZ ARG B 72 -1.528 -8.637 3.139 1.00 0.00 C ATOM 1733 NH1 ARG B 72 -2.625 -8.730 2.396 1.00 0.00 N ATOM 1734 NH2 ARG B 72 -1.225 -9.635 3.964 1.00 0.00 N ATOM 0 H ARG B 72 1.167 -4.897 -0.819 1.00 0.00 H new ATOM 0 HA ARG B 72 2.846 -5.029 1.611 1.00 0.00 H new ATOM 0 HB2 ARG B 72 0.763 -6.810 0.308 1.00 0.00 H new ATOM 0 HB3 ARG B 72 1.617 -7.195 1.789 1.00 0.00 H new ATOM 0 HG2 ARG B 72 0.680 -5.231 2.920 1.00 0.00 H new ATOM 0 HG3 ARG B 72 -0.027 -4.648 1.425 1.00 0.00 H new ATOM 0 HD2 ARG B 72 -1.761 -5.756 2.761 1.00 0.00 H new ATOM 0 HD3 ARG B 72 -1.468 -6.687 1.305 1.00 0.00 H new ATOM 0 HE ARG B 72 0.126 -7.569 3.616 1.00 0.00 H new ATOM 0 HH11 ARG B 72 -2.874 -7.974 1.758 1.00 0.00 H new ATOM 0 HH12 ARG B 72 -3.218 -9.557 2.464 1.00 0.00 H new ATOM 0 HH21 ARG B 72 -0.387 -9.582 4.543 1.00 0.00 H new ATOM 0 HH22 ARG B 72 -1.831 -10.454 4.018 1.00 0.00 H new ATOM 1748 N LEU B 73 4.759 -6.205 0.380 1.00 0.00 N ATOM 1749 CA LEU B 73 5.832 -6.848 -0.372 1.00 0.00 C ATOM 1750 C LEU B 73 5.760 -8.372 -0.300 1.00 0.00 C ATOM 1751 O LEU B 73 6.109 -9.027 -1.280 1.00 0.00 O ATOM 1752 CB LEU B 73 7.198 -6.365 0.124 1.00 0.00 C ATOM 1753 CG LEU B 73 7.606 -4.961 -0.347 1.00 0.00 C ATOM 1754 CD1 LEU B 73 7.684 -4.890 -1.872 1.00 0.00 C ATOM 1755 CD2 LEU B 73 6.656 -3.873 0.144 1.00 0.00 C ATOM 0 H LEU B 73 5.069 -5.663 1.187 1.00 0.00 H new ATOM 0 HA LEU B 73 5.703 -6.563 -1.416 1.00 0.00 H new ATOM 0 HB2 LEU B 73 7.197 -6.379 1.214 1.00 0.00 H new ATOM 0 HB3 LEU B 73 7.957 -7.075 -0.203 1.00 0.00 H new ATOM 0 HG LEU B 73 8.589 -4.780 0.087 1.00 0.00 H new ATOM 0 HD11 LEU B 73 7.975 -3.884 -2.175 1.00 0.00 H new ATOM 0 HD12 LEU B 73 8.423 -5.606 -2.232 1.00 0.00 H new ATOM 0 HD13 LEU B 73 6.710 -5.130 -2.298 1.00 0.00 H new ATOM 0 HD21 LEU B 73 6.995 -2.903 -0.220 1.00 0.00 H new ATOM 0 HD22 LEU B 73 5.652 -4.071 -0.231 1.00 0.00 H new ATOM 0 HD23 LEU B 73 6.642 -3.867 1.234 1.00 0.00 H new