USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 684 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 89 HIS : no HD1:sc= 0.993 K(o=2.3,f=-5.2!) USER MOD Set 1.2: A 119 THR OG1 : rot 81:sc= 1.34 USER MOD Set 2.1: A 22 TYR OH : rot 177:sc= 0.258 USER MOD Set 2.2: A 102 HIS : no HE2:sc= -1.34 X(o=-0.41,f=-0.56!) USER MOD Set 2.3: A 105 SER OG : rot -163:sc= 0.665 USER MOD Set 3.1: A 64 MET CE :methyl -163:sc=-0.00358 (180deg=-0.0684) USER MOD Set 3.2: A 67 GLN : amide:sc= 1.15 K(o=1.1,f=-0.6) USER MOD Set 4.1: A 57 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 61 SER OG : rot 180:sc= 0.376 USER MOD Set 4.3: A 65 GLN : amide:sc= 0.397 X(o=0.77,f=1.1) USER MOD Set 5.1: A 28 HIS : no HE2:sc= 1.28 K(o=1.9,f=-6.9!) USER MOD Set 5.2: A 40 SER OG : rot 170:sc= 0.621 USER MOD Single : A 21 LYS NZ :NH3+ 156:sc= 2.23 (180deg=1.35) USER MOD Single : A 29 SER OG : rot 118:sc= 0.0433 USER MOD Single : A 41 LYS NZ :NH3+ 136:sc= 2.38 (180deg=0.543) USER MOD Single : A 47 TYR OH : rot -9:sc= 1.09 USER MOD Single : A 48 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.119) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= 1.08 K(o=1.1,f=-4.4!) USER MOD Single : A 59 LYS NZ :NH3+ 178:sc= 1.04 (180deg=1.03) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 170:sc=-0.00181 USER MOD Single : A 71 CYS SG : rot -117:sc= -1.55 USER MOD Single : A 73 CYS SG : rot 129:sc= 1.35 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 100:sc= 0.392 USER MOD Single : A 95 MET CE :methyl -172:sc= 0 (180deg=-0.078) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.234 X(o=-0.23,f=-0.23) USER MOD Single : A 106 THR OG1 : rot -142:sc= 0.128 USER MOD Single : A 108 LYS NZ :NH3+ -175:sc= 2.46 (180deg=2.31) USER MOD Single : A 110 LYS NZ :NH3+ -174:sc= 1.3 (180deg=1.2) USER MOD ----------------------------------------------------------------- ATOM 46 N ALA A 4 -7.936 -7.924 15.656 1.00 0.00 N ATOM 47 CA ALA A 4 -7.589 -8.639 14.437 1.00 0.00 C ATOM 48 C ALA A 4 -6.256 -9.360 14.689 1.00 0.00 C ATOM 49 O ALA A 4 -5.827 -9.502 15.836 1.00 0.00 O ATOM 50 CB ALA A 4 -7.473 -7.630 13.280 1.00 0.00 C ATOM 0 HA ALA A 4 -8.350 -9.371 14.167 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -7.213 -8.157 12.362 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -8.426 -7.118 13.147 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -6.698 -6.899 13.511 1.00 0.00 H new ATOM 56 N ASP A 5 -5.590 -9.776 13.617 1.00 0.00 N ATOM 57 CA ASP A 5 -4.224 -10.288 13.584 1.00 0.00 C ATOM 58 C ASP A 5 -3.639 -9.834 12.246 1.00 0.00 C ATOM 59 O ASP A 5 -4.404 -9.636 11.296 1.00 0.00 O ATOM 60 CB ASP A 5 -4.220 -11.819 13.686 1.00 0.00 C ATOM 61 CG ASP A 5 -2.792 -12.372 13.568 1.00 0.00 C ATOM 62 OD1 ASP A 5 -2.097 -12.470 14.603 1.00 0.00 O ATOM 63 OD2 ASP A 5 -2.361 -12.688 12.438 1.00 0.00 O ATOM 0 H ASP A 5 -6.016 -9.764 12.690 1.00 0.00 H new ATOM 0 HA ASP A 5 -3.636 -9.915 14.422 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -4.656 -12.125 14.637 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -4.844 -12.242 12.899 1.00 0.00 H new ATOM 68 N LEU A 6 -2.315 -9.663 12.140 1.00 0.00 N ATOM 69 CA LEU A 6 -1.669 -9.191 10.919 1.00 0.00 C ATOM 70 C LEU A 6 -2.063 -10.028 9.699 1.00 0.00 C ATOM 71 O LEU A 6 -2.236 -9.466 8.616 1.00 0.00 O ATOM 72 CB LEU A 6 -0.137 -9.190 11.072 1.00 0.00 C ATOM 73 CG LEU A 6 0.457 -8.176 12.071 1.00 0.00 C ATOM 74 CD1 LEU A 6 1.985 -8.251 12.002 1.00 0.00 C ATOM 75 CD2 LEU A 6 0.025 -6.733 11.790 1.00 0.00 C ATOM 0 H LEU A 6 -1.664 -9.850 12.903 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.015 -8.170 10.756 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.176 -10.189 11.375 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.303 -9.001 10.093 1.00 0.00 H new ATOM 0 HG LEU A 6 0.084 -8.442 13.060 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.416 -7.538 12.705 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.312 -9.258 12.261 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.316 -8.010 10.992 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.476 -6.068 12.527 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.352 -6.443 10.791 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.061 -6.660 11.852 1.00 0.00 H new ATOM 87 N ALA A 7 -2.245 -11.343 9.852 1.00 0.00 N ATOM 88 CA ALA A 7 -2.617 -12.226 8.755 1.00 0.00 C ATOM 89 C ALA A 7 -4.005 -11.902 8.182 1.00 0.00 C ATOM 90 O ALA A 7 -4.268 -12.209 7.019 1.00 0.00 O ATOM 91 CB ALA A 7 -2.571 -13.683 9.227 1.00 0.00 C ATOM 0 H ALA A 7 -2.137 -11.822 10.746 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.896 -12.070 7.952 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.850 -14.341 8.404 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.562 -13.926 9.560 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.269 -13.820 10.053 1.00 0.00 H new ATOM 97 N LEU A 8 -4.896 -11.302 8.981 1.00 0.00 N ATOM 98 CA LEU A 8 -6.266 -10.994 8.573 1.00 0.00 C ATOM 99 C LEU A 8 -6.338 -9.674 7.802 1.00 0.00 C ATOM 100 O LEU A 8 -7.301 -9.466 7.062 1.00 0.00 O ATOM 101 CB LEU A 8 -7.197 -10.923 9.799 1.00 0.00 C ATOM 102 CG LEU A 8 -7.286 -12.218 10.632 1.00 0.00 C ATOM 103 CD1 LEU A 8 -8.211 -11.997 11.833 1.00 0.00 C ATOM 104 CD2 LEU A 8 -7.798 -13.412 9.815 1.00 0.00 C ATOM 0 H LEU A 8 -4.681 -11.016 9.936 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.595 -11.798 7.915 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.857 -10.116 10.447 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -8.199 -10.659 9.460 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.275 -12.455 10.964 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.272 -12.914 12.419 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.815 -11.194 12.455 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -9.206 -11.725 11.481 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.841 -14.296 10.451 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.795 -13.191 9.433 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.123 -13.598 8.980 1.00 0.00 H new ATOM 116 N ILE A 9 -5.359 -8.777 7.969 1.00 0.00 N ATOM 117 CA ILE A 9 -5.343 -7.491 7.272 1.00 0.00 C ATOM 118 C ILE A 9 -5.157 -7.783 5.771 1.00 0.00 C ATOM 119 O ILE A 9 -4.240 -8.541 5.437 1.00 0.00 O ATOM 120 CB ILE A 9 -4.224 -6.557 7.803 1.00 0.00 C ATOM 121 CG1 ILE A 9 -4.152 -6.534 9.348 1.00 0.00 C ATOM 122 CG2 ILE A 9 -4.458 -5.137 7.254 1.00 0.00 C ATOM 123 CD1 ILE A 9 -3.035 -5.660 9.930 1.00 0.00 C ATOM 0 H ILE A 9 -4.561 -8.923 8.588 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.281 -6.964 7.448 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.266 -6.945 7.455 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.108 -6.183 9.736 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.018 -7.555 9.706 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.677 -4.472 7.621 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.433 -5.159 6.165 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.430 -4.774 7.587 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.065 -5.708 11.019 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.069 -6.022 9.577 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.175 -4.628 9.608 1.00 0.00 H new ATOM 135 N PRO A 10 -5.960 -7.193 4.862 1.00 0.00 N ATOM 136 CA PRO A 10 -5.724 -7.277 3.426 1.00 0.00 C ATOM 137 C PRO A 10 -4.280 -6.905 3.091 1.00 0.00 C ATOM 138 O PRO A 10 -3.791 -5.857 3.521 1.00 0.00 O ATOM 139 CB PRO A 10 -6.727 -6.316 2.777 1.00 0.00 C ATOM 140 CG PRO A 10 -7.870 -6.267 3.788 1.00 0.00 C ATOM 141 CD PRO A 10 -7.153 -6.401 5.130 1.00 0.00 C ATOM 0 HA PRO A 10 -5.865 -8.291 3.052 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.292 -5.330 2.614 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -7.064 -6.681 1.807 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.428 -5.333 3.721 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.583 -7.076 3.630 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.891 -5.423 5.533 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.790 -6.890 5.867 1.00 0.00 H new ATOM 149 N ASP A 11 -3.591 -7.751 2.329 1.00 0.00 N ATOM 150 CA ASP A 11 -2.181 -7.561 1.987 1.00 0.00 C ATOM 151 C ASP A 11 -2.020 -6.457 0.937 1.00 0.00 C ATOM 152 O ASP A 11 -1.199 -5.550 1.087 1.00 0.00 O ATOM 153 CB ASP A 11 -1.626 -8.896 1.481 1.00 0.00 C ATOM 154 CG ASP A 11 -0.117 -8.832 1.236 1.00 0.00 C ATOM 155 OD1 ASP A 11 0.629 -8.536 2.196 1.00 0.00 O ATOM 156 OD2 ASP A 11 0.320 -9.140 0.107 1.00 0.00 O ATOM 0 H ASP A 11 -3.998 -8.596 1.927 1.00 0.00 H new ATOM 0 HA ASP A 11 -1.622 -7.245 2.868 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.843 -9.678 2.209 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.132 -9.172 0.556 1.00 0.00 H new ATOM 161 N VAL A 12 -2.909 -6.448 -0.059 1.00 0.00 N ATOM 162 CA VAL A 12 -2.986 -5.474 -1.141 1.00 0.00 C ATOM 163 C VAL A 12 -4.470 -5.142 -1.286 1.00 0.00 C ATOM 164 O VAL A 12 -5.295 -6.051 -1.401 1.00 0.00 O ATOM 165 CB VAL A 12 -2.395 -6.096 -2.429 1.00 0.00 C ATOM 166 CG1 VAL A 12 -2.632 -5.256 -3.694 1.00 0.00 C ATOM 167 CG2 VAL A 12 -0.893 -6.354 -2.307 1.00 0.00 C ATOM 0 H VAL A 12 -3.634 -7.162 -0.133 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.415 -4.567 -0.944 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.934 -7.037 -2.536 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.188 -5.759 -4.553 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.703 -5.137 -3.857 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.173 -4.275 -3.571 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.522 -6.791 -3.234 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.376 -5.413 -2.117 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.708 -7.042 -1.482 1.00 0.00 H new ATOM 177 N ASP A 13 -4.817 -3.856 -1.294 1.00 0.00 N ATOM 178 CA ASP A 13 -6.161 -3.384 -1.612 1.00 0.00 C ATOM 179 C ASP A 13 -5.997 -1.986 -2.187 1.00 0.00 C ATOM 180 O ASP A 13 -5.527 -1.086 -1.490 1.00 0.00 O ATOM 181 CB ASP A 13 -7.080 -3.361 -0.384 1.00 0.00 C ATOM 182 CG ASP A 13 -8.474 -2.851 -0.782 1.00 0.00 C ATOM 183 OD1 ASP A 13 -9.119 -3.477 -1.653 1.00 0.00 O ATOM 184 OD2 ASP A 13 -8.935 -1.834 -0.219 1.00 0.00 O ATOM 0 H ASP A 13 -4.163 -3.104 -1.077 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.637 -4.061 -2.321 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.157 -4.361 0.042 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.655 -2.718 0.387 1.00 0.00 H new ATOM 189 N ILE A 14 -6.285 -1.842 -3.478 1.00 0.00 N ATOM 190 CA ILE A 14 -5.998 -0.656 -4.272 1.00 0.00 C ATOM 191 C ILE A 14 -7.084 -0.496 -5.345 1.00 0.00 C ATOM 192 O ILE A 14 -7.765 -1.467 -5.690 1.00 0.00 O ATOM 193 CB ILE A 14 -4.584 -0.743 -4.908 1.00 0.00 C ATOM 194 CG1 ILE A 14 -4.277 -2.131 -5.522 1.00 0.00 C ATOM 195 CG2 ILE A 14 -3.489 -0.355 -3.898 1.00 0.00 C ATOM 196 CD1 ILE A 14 -2.972 -2.189 -6.327 1.00 0.00 C ATOM 0 H ILE A 14 -6.742 -2.577 -4.018 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.005 0.222 -3.627 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.583 -0.023 -5.727 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.229 -2.868 -4.720 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.104 -2.420 -6.171 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.512 -0.427 -4.375 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.653 0.668 -3.559 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.526 -1.031 -3.044 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.833 -3.195 -6.722 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.022 -1.479 -7.152 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.133 -1.934 -5.679 1.00 0.00 H new ATOM 266 N PHE A 20 -4.003 6.468 -9.808 1.00 0.00 N ATOM 267 CA PHE A 20 -4.241 6.885 -8.424 1.00 0.00 C ATOM 268 C PHE A 20 -2.921 6.873 -7.644 1.00 0.00 C ATOM 269 O PHE A 20 -1.915 6.318 -8.096 1.00 0.00 O ATOM 270 CB PHE A 20 -5.271 5.983 -7.720 1.00 0.00 C ATOM 271 CG PHE A 20 -4.902 4.510 -7.705 1.00 0.00 C ATOM 272 CD1 PHE A 20 -5.125 3.725 -8.848 1.00 0.00 C ATOM 273 CD2 PHE A 20 -4.289 3.930 -6.580 1.00 0.00 C ATOM 274 CE1 PHE A 20 -4.694 2.391 -8.893 1.00 0.00 C ATOM 275 CE2 PHE A 20 -3.896 2.581 -6.605 1.00 0.00 C ATOM 276 CZ PHE A 20 -4.090 1.811 -7.766 1.00 0.00 C ATOM 0 HA PHE A 20 -4.649 7.896 -8.448 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.395 6.325 -6.693 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.236 6.099 -8.213 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -5.633 4.152 -9.700 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.120 4.523 -5.694 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.827 1.810 -9.794 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -3.444 2.135 -5.731 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.776 0.778 -7.790 1.00 0.00 H new ATOM 286 N LYS A 21 -2.928 7.472 -6.451 1.00 0.00 N ATOM 287 CA LYS A 21 -1.783 7.538 -5.551 1.00 0.00 C ATOM 288 C LYS A 21 -1.938 6.463 -4.476 1.00 0.00 C ATOM 289 O LYS A 21 -3.061 6.086 -4.131 1.00 0.00 O ATOM 290 CB LYS A 21 -1.733 8.943 -4.943 1.00 0.00 C ATOM 291 CG LYS A 21 -1.197 9.970 -5.956 1.00 0.00 C ATOM 292 CD LYS A 21 -1.660 11.385 -5.597 1.00 0.00 C ATOM 293 CE LYS A 21 -1.093 12.404 -6.595 1.00 0.00 C ATOM 294 NZ LYS A 21 -1.854 13.674 -6.565 1.00 0.00 N ATOM 0 H LYS A 21 -3.756 7.937 -6.077 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.848 7.354 -6.080 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.731 9.237 -4.617 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.098 8.936 -4.057 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.108 9.933 -5.975 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.542 9.713 -6.957 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.749 11.430 -5.601 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.334 11.636 -4.587 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.047 12.600 -6.361 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.122 11.985 -7.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.251 14.448 -6.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.692 13.591 -7.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.154 13.876 -5.590 1.00 0.00 H new ATOM 308 N TYR A 22 -0.825 5.968 -3.941 1.00 0.00 N ATOM 309 CA TYR A 22 -0.792 4.855 -3.000 1.00 0.00 C ATOM 310 C TYR A 22 0.305 5.117 -1.953 1.00 0.00 C ATOM 311 O TYR A 22 1.195 5.942 -2.178 1.00 0.00 O ATOM 312 CB TYR A 22 -0.605 3.526 -3.776 1.00 0.00 C ATOM 313 CG TYR A 22 0.778 2.940 -3.646 1.00 0.00 C ATOM 314 CD1 TYR A 22 1.836 3.498 -4.379 1.00 0.00 C ATOM 315 CD2 TYR A 22 1.027 1.976 -2.653 1.00 0.00 C ATOM 316 CE1 TYR A 22 3.158 3.154 -4.064 1.00 0.00 C ATOM 317 CE2 TYR A 22 2.346 1.622 -2.338 1.00 0.00 C ATOM 318 CZ TYR A 22 3.413 2.227 -3.028 1.00 0.00 C ATOM 319 OH TYR A 22 4.682 1.919 -2.663 1.00 0.00 O ATOM 0 H TYR A 22 0.100 6.339 -4.156 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.734 4.766 -2.459 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.334 2.799 -3.416 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.820 3.698 -4.831 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.633 4.190 -5.183 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.203 1.509 -2.134 1.00 0.00 H new ATOM 0 HE1 TYR A 22 3.978 3.595 -4.611 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.543 0.889 -1.570 1.00 0.00 H new ATOM 0 HH TYR A 22 4.663 1.301 -1.902 1.00 0.00 H new ATOM 329 N VAL A 23 0.265 4.410 -0.823 1.00 0.00 N ATOM 330 CA VAL A 23 1.297 4.439 0.208 1.00 0.00 C ATOM 331 C VAL A 23 1.637 3.015 0.636 1.00 0.00 C ATOM 332 O VAL A 23 0.819 2.091 0.540 1.00 0.00 O ATOM 333 CB VAL A 23 0.895 5.309 1.421 1.00 0.00 C ATOM 334 CG1 VAL A 23 0.865 6.803 1.074 1.00 0.00 C ATOM 335 CG2 VAL A 23 -0.447 4.884 2.032 1.00 0.00 C ATOM 0 H VAL A 23 -0.508 3.785 -0.596 1.00 0.00 H new ATOM 0 HA VAL A 23 2.185 4.905 -0.220 1.00 0.00 H new ATOM 0 HB VAL A 23 1.670 5.145 2.170 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.578 7.376 1.956 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.854 7.119 0.742 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.142 6.977 0.277 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.681 5.528 2.880 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.233 4.972 1.282 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.382 3.849 2.369 1.00 0.00 H new ATOM 345 N LEU A 24 2.856 2.866 1.148 1.00 0.00 N ATOM 346 CA LEU A 24 3.397 1.617 1.648 1.00 0.00 C ATOM 347 C LEU A 24 3.403 1.787 3.160 1.00 0.00 C ATOM 348 O LEU A 24 4.081 2.691 3.654 1.00 0.00 O ATOM 349 CB LEU A 24 4.819 1.444 1.080 1.00 0.00 C ATOM 350 CG LEU A 24 5.413 0.025 1.147 1.00 0.00 C ATOM 351 CD1 LEU A 24 5.295 -0.642 2.520 1.00 0.00 C ATOM 352 CD2 LEU A 24 4.761 -0.861 0.087 1.00 0.00 C ATOM 0 H LEU A 24 3.513 3.642 1.226 1.00 0.00 H new ATOM 0 HA LEU A 24 2.828 0.733 1.360 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.812 1.763 0.038 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.486 2.120 1.616 1.00 0.00 H new ATOM 0 HG LEU A 24 6.480 0.138 0.956 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.737 -1.637 2.480 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.820 -0.041 3.263 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.244 -0.723 2.796 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.186 -1.864 0.140 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.687 -0.912 0.266 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.945 -0.441 -0.902 1.00 0.00 H new ATOM 364 N ILE A 25 2.645 0.980 3.902 1.00 0.00 N ATOM 365 CA ILE A 25 2.477 1.165 5.340 1.00 0.00 C ATOM 366 C ILE A 25 2.962 -0.096 6.037 1.00 0.00 C ATOM 367 O ILE A 25 2.408 -1.181 5.856 1.00 0.00 O ATOM 368 CB ILE A 25 1.019 1.561 5.685 1.00 0.00 C ATOM 369 CG1 ILE A 25 0.740 2.995 5.176 1.00 0.00 C ATOM 370 CG2 ILE A 25 0.757 1.486 7.203 1.00 0.00 C ATOM 371 CD1 ILE A 25 -0.723 3.437 5.308 1.00 0.00 C ATOM 0 H ILE A 25 2.133 0.183 3.524 1.00 0.00 H new ATOM 0 HA ILE A 25 3.080 1.998 5.702 1.00 0.00 H new ATOM 0 HB ILE A 25 0.349 0.855 5.194 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.370 3.693 5.728 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.034 3.060 4.128 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.275 1.770 7.409 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.929 0.468 7.552 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.431 2.167 7.723 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.832 4.453 4.929 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.360 2.765 4.733 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.019 3.408 6.357 1.00 0.00 H new ATOM 383 N ARG A 26 4.032 0.051 6.816 1.00 0.00 N ATOM 384 CA ARG A 26 4.478 -0.982 7.732 1.00 0.00 C ATOM 385 C ARG A 26 3.467 -0.984 8.871 1.00 0.00 C ATOM 386 O ARG A 26 3.014 0.084 9.287 1.00 0.00 O ATOM 387 CB ARG A 26 5.887 -0.644 8.233 1.00 0.00 C ATOM 388 CG ARG A 26 6.515 -1.802 9.025 1.00 0.00 C ATOM 389 CD ARG A 26 7.950 -1.471 9.450 1.00 0.00 C ATOM 390 NE ARG A 26 7.977 -0.367 10.426 1.00 0.00 N ATOM 391 CZ ARG A 26 8.921 0.570 10.569 1.00 0.00 C ATOM 392 NH1 ARG A 26 9.986 0.597 9.770 1.00 0.00 N ATOM 393 NH2 ARG A 26 8.787 1.478 11.530 1.00 0.00 N ATOM 0 H ARG A 26 4.610 0.891 6.826 1.00 0.00 H new ATOM 0 HA ARG A 26 4.533 -1.965 7.264 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.524 -0.400 7.383 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.843 0.244 8.864 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.911 -2.012 9.908 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.513 -2.706 8.416 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.416 -2.355 9.885 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.538 -1.199 8.573 1.00 0.00 H new ATOM 0 HE ARG A 26 7.185 -0.311 11.066 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.091 -0.103 9.036 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.697 1.318 9.892 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.974 1.454 12.145 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.498 2.199 11.653 1.00 0.00 H new ATOM 407 N VAL A 27 3.146 -2.156 9.393 1.00 0.00 N ATOM 408 CA VAL A 27 2.184 -2.355 10.458 1.00 0.00 C ATOM 409 C VAL A 27 2.781 -3.403 11.401 1.00 0.00 C ATOM 410 O VAL A 27 3.515 -4.294 10.965 1.00 0.00 O ATOM 411 CB VAL A 27 0.807 -2.706 9.841 1.00 0.00 C ATOM 412 CG1 VAL A 27 0.825 -3.891 8.860 1.00 0.00 C ATOM 413 CG2 VAL A 27 -0.246 -2.963 10.923 1.00 0.00 C ATOM 0 H VAL A 27 3.567 -3.028 9.072 1.00 0.00 H new ATOM 0 HA VAL A 27 1.994 -1.463 11.055 1.00 0.00 H new ATOM 0 HB VAL A 27 0.542 -1.822 9.261 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.182 -4.063 8.479 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.494 -3.666 8.029 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.176 -4.785 9.376 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.199 -3.206 10.453 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.072 -3.796 11.550 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.362 -2.070 11.537 1.00 0.00 H new ATOM 423 N HIS A 28 2.496 -3.286 12.694 1.00 0.00 N ATOM 424 CA HIS A 28 3.113 -4.066 13.756 1.00 0.00 C ATOM 425 C HIS A 28 2.009 -4.690 14.601 1.00 0.00 C ATOM 426 O HIS A 28 0.950 -4.078 14.785 1.00 0.00 O ATOM 427 CB HIS A 28 3.967 -3.140 14.632 1.00 0.00 C ATOM 428 CG HIS A 28 5.074 -2.440 13.887 1.00 0.00 C ATOM 429 ND1 HIS A 28 6.272 -2.999 13.517 1.00 0.00 N ATOM 430 CD2 HIS A 28 5.089 -1.135 13.468 1.00 0.00 C ATOM 431 CE1 HIS A 28 7.002 -2.053 12.911 1.00 0.00 C ATOM 432 NE2 HIS A 28 6.321 -0.892 12.841 1.00 0.00 N ATOM 0 H HIS A 28 1.804 -2.621 13.041 1.00 0.00 H new ATOM 0 HA HIS A 28 3.746 -4.846 13.333 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.320 -2.391 15.089 1.00 0.00 H new ATOM 0 HB3 HIS A 28 4.402 -3.724 15.444 1.00 0.00 H new ATOM 0 HD1 HIS A 28 6.557 -3.966 13.676 1.00 0.00 H new ATOM 0 HD2 HIS A 28 4.292 -0.418 13.598 1.00 0.00 H new ATOM 0 HE1 HIS A 28 8.002 -2.201 12.530 1.00 0.00 H new ATOM 440 N SER A 29 2.259 -5.888 15.132 1.00 0.00 N ATOM 441 CA SER A 29 1.341 -6.582 16.015 1.00 0.00 C ATOM 442 C SER A 29 1.098 -5.780 17.298 1.00 0.00 C ATOM 443 O SER A 29 1.913 -5.785 18.222 1.00 0.00 O ATOM 444 CB SER A 29 1.868 -7.979 16.347 1.00 0.00 C ATOM 445 OG SER A 29 2.001 -8.762 15.176 1.00 0.00 O ATOM 0 H SER A 29 3.120 -6.405 14.953 1.00 0.00 H new ATOM 0 HA SER A 29 0.388 -6.685 15.496 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.833 -7.898 16.846 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.189 -8.472 17.043 1.00 0.00 H new ATOM 0 HG SER A 29 2.943 -9.001 15.047 1.00 0.00 H new ATOM 451 N ALA A 30 -0.035 -5.083 17.333 1.00 0.00 N ATOM 452 CA ALA A 30 -0.601 -4.432 18.500 1.00 0.00 C ATOM 453 C ALA A 30 -2.153 -4.468 18.521 1.00 0.00 C ATOM 454 O ALA A 30 -2.715 -3.588 19.173 1.00 0.00 O ATOM 455 CB ALA A 30 -0.044 -2.998 18.587 1.00 0.00 C ATOM 0 H ALA A 30 -0.610 -4.953 16.500 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.301 -4.987 19.389 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.462 -2.498 19.461 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.042 -3.034 18.675 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.317 -2.446 17.688 1.00 0.00 H new ATOM 461 N PRO A 31 -2.900 -5.383 17.844 1.00 0.00 N ATOM 462 CA PRO A 31 -4.363 -5.385 17.916 1.00 0.00 C ATOM 463 C PRO A 31 -4.943 -5.248 19.331 1.00 0.00 C ATOM 464 O PRO A 31 -4.328 -5.668 20.316 1.00 0.00 O ATOM 465 CB PRO A 31 -4.838 -6.691 17.281 1.00 0.00 C ATOM 466 CG PRO A 31 -3.739 -7.038 16.292 1.00 0.00 C ATOM 467 CD PRO A 31 -2.484 -6.428 16.905 1.00 0.00 C ATOM 0 HA PRO A 31 -4.722 -4.502 17.388 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.966 -7.475 18.028 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.799 -6.566 16.782 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.639 -8.116 16.169 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.944 -6.622 15.306 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.901 -7.192 17.419 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.845 -6.009 16.127 1.00 0.00 H new ATOM 561 N GLU A 39 5.165 -9.491 15.824 1.00 0.00 N ATOM 562 CA GLU A 39 5.543 -9.545 14.419 1.00 0.00 C ATOM 563 C GLU A 39 5.264 -8.185 13.748 1.00 0.00 C ATOM 564 O GLU A 39 4.700 -7.270 14.362 1.00 0.00 O ATOM 565 CB GLU A 39 4.789 -10.693 13.717 1.00 0.00 C ATOM 566 CG GLU A 39 5.080 -12.090 14.295 1.00 0.00 C ATOM 567 CD GLU A 39 6.569 -12.477 14.216 1.00 0.00 C ATOM 568 OE1 GLU A 39 7.095 -12.680 13.098 1.00 0.00 O ATOM 569 OE2 GLU A 39 7.225 -12.613 15.274 1.00 0.00 O ATOM 0 HA GLU A 39 6.611 -9.746 14.333 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.718 -10.502 13.782 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.050 -10.689 12.659 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.757 -12.121 15.336 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.489 -12.830 13.756 1.00 0.00 H new ATOM 576 N SER A 40 5.637 -8.068 12.472 1.00 0.00 N ATOM 577 CA SER A 40 5.396 -6.899 11.635 1.00 0.00 C ATOM 578 C SER A 40 5.086 -7.365 10.206 1.00 0.00 C ATOM 579 O SER A 40 5.403 -8.497 9.826 1.00 0.00 O ATOM 580 CB SER A 40 6.612 -5.960 11.647 1.00 0.00 C ATOM 581 OG SER A 40 7.086 -5.692 12.962 1.00 0.00 O ATOM 0 H SER A 40 6.132 -8.812 11.980 1.00 0.00 H new ATOM 0 HA SER A 40 4.546 -6.342 12.028 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.415 -6.405 11.059 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.345 -5.021 11.163 1.00 0.00 H new ATOM 0 HG SER A 40 7.947 -5.227 12.911 1.00 0.00 H new ATOM 587 N LYS A 41 4.450 -6.496 9.423 1.00 0.00 N ATOM 588 CA LYS A 41 3.954 -6.738 8.070 1.00 0.00 C ATOM 589 C LYS A 41 4.016 -5.406 7.319 1.00 0.00 C ATOM 590 O LYS A 41 4.128 -4.350 7.940 1.00 0.00 O ATOM 591 CB LYS A 41 2.525 -7.321 8.191 1.00 0.00 C ATOM 592 CG LYS A 41 1.646 -7.273 6.930 1.00 0.00 C ATOM 593 CD LYS A 41 0.330 -8.020 7.151 1.00 0.00 C ATOM 594 CE LYS A 41 -0.525 -8.051 5.877 1.00 0.00 C ATOM 595 NZ LYS A 41 -1.554 -9.119 5.932 1.00 0.00 N ATOM 0 H LYS A 41 4.255 -5.545 9.736 1.00 0.00 H new ATOM 0 HA LYS A 41 4.548 -7.459 7.509 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.608 -8.361 8.507 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.006 -6.786 8.987 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.440 -6.236 6.665 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.183 -7.715 6.091 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.540 -9.040 7.473 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.230 -7.541 7.954 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.011 -7.085 5.741 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.118 -8.209 5.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.461 -8.745 5.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.259 -9.917 5.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.664 -9.445 6.913 1.00 0.00 H new ATOM 609 N GLU A 42 3.895 -5.432 5.995 1.00 0.00 N ATOM 610 CA GLU A 42 3.724 -4.238 5.181 1.00 0.00 C ATOM 611 C GLU A 42 2.458 -4.440 4.353 1.00 0.00 C ATOM 612 O GLU A 42 2.331 -5.469 3.690 1.00 0.00 O ATOM 613 CB GLU A 42 4.936 -4.012 4.264 1.00 0.00 C ATOM 614 CG GLU A 42 6.260 -3.713 4.990 1.00 0.00 C ATOM 615 CD GLU A 42 6.953 -4.966 5.567 1.00 0.00 C ATOM 616 OE1 GLU A 42 7.217 -5.930 4.812 1.00 0.00 O ATOM 617 OE2 GLU A 42 7.291 -4.978 6.771 1.00 0.00 O ATOM 0 H GLU A 42 3.914 -6.296 5.452 1.00 0.00 H new ATOM 0 HA GLU A 42 3.640 -3.356 5.816 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.072 -4.898 3.644 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.713 -3.183 3.592 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.941 -3.221 4.296 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.068 -3.010 5.801 1.00 0.00 H new ATOM 624 N ILE A 43 1.541 -3.476 4.385 1.00 0.00 N ATOM 625 CA ILE A 43 0.337 -3.442 3.559 1.00 0.00 C ATOM 626 C ILE A 43 0.456 -2.346 2.491 1.00 0.00 C ATOM 627 O ILE A 43 1.177 -1.357 2.664 1.00 0.00 O ATOM 628 CB ILE A 43 -0.931 -3.278 4.437 1.00 0.00 C ATOM 629 CG1 ILE A 43 -0.906 -2.033 5.355 1.00 0.00 C ATOM 630 CG2 ILE A 43 -1.147 -4.570 5.240 1.00 0.00 C ATOM 631 CD1 ILE A 43 -2.235 -1.738 6.071 1.00 0.00 C ATOM 0 H ILE A 43 1.618 -2.671 5.007 1.00 0.00 H new ATOM 0 HA ILE A 43 0.236 -4.394 3.038 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.774 -3.105 3.768 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.126 -2.167 6.105 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.629 -1.164 4.759 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.036 -4.467 5.862 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.278 -5.407 4.554 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.280 -4.753 5.874 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.124 -0.849 6.692 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.017 -1.569 5.331 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.507 -2.587 6.698 1.00 0.00 H new ATOM 643 N VAL A 44 -0.280 -2.528 1.392 1.00 0.00 N ATOM 644 CA VAL A 44 -0.260 -1.664 0.213 1.00 0.00 C ATOM 645 C VAL A 44 -1.680 -1.110 0.051 1.00 0.00 C ATOM 646 O VAL A 44 -2.606 -1.898 -0.182 1.00 0.00 O ATOM 647 CB VAL A 44 0.195 -2.493 -1.016 1.00 0.00 C ATOM 648 CG1 VAL A 44 0.380 -1.618 -2.262 1.00 0.00 C ATOM 649 CG2 VAL A 44 1.502 -3.271 -0.776 1.00 0.00 C ATOM 0 H VAL A 44 -0.929 -3.309 1.297 1.00 0.00 H new ATOM 0 HA VAL A 44 0.441 -0.835 0.312 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.611 -3.208 -1.178 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.699 -2.239 -3.099 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.564 -1.133 -2.509 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.137 -0.859 -2.064 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.763 -3.829 -1.675 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.303 -2.572 -0.537 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.366 -3.964 0.055 1.00 0.00 H new ATOM 659 N ARG A 45 -1.869 0.209 0.198 1.00 0.00 N ATOM 660 CA ARG A 45 -3.170 0.891 0.117 1.00 0.00 C ATOM 661 C ARG A 45 -3.047 2.047 -0.870 1.00 0.00 C ATOM 662 O ARG A 45 -1.995 2.682 -0.919 1.00 0.00 O ATOM 663 CB ARG A 45 -3.579 1.481 1.487 1.00 0.00 C ATOM 664 CG ARG A 45 -3.874 0.500 2.634 1.00 0.00 C ATOM 665 CD ARG A 45 -5.062 -0.434 2.388 1.00 0.00 C ATOM 666 NE ARG A 45 -4.606 -1.675 1.764 1.00 0.00 N ATOM 667 CZ ARG A 45 -4.355 -2.829 2.383 1.00 0.00 C ATOM 668 NH1 ARG A 45 -4.802 -3.101 3.604 1.00 0.00 N ATOM 669 NH2 ARG A 45 -3.603 -3.718 1.763 1.00 0.00 N ATOM 0 H ARG A 45 -1.098 0.851 0.382 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.921 0.166 -0.198 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.782 2.149 1.815 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.467 2.095 1.335 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.985 -0.105 2.814 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.061 1.071 3.543 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.562 -0.655 3.331 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.794 0.057 1.746 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.466 -1.656 0.754 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.362 -2.413 4.107 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -4.585 -3.998 4.038 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.231 -3.513 0.836 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.393 -4.610 2.211 1.00 0.00 H new ATOM 683 N GLY A 46 -4.105 2.377 -1.608 1.00 0.00 N ATOM 684 CA GLY A 46 -4.105 3.518 -2.514 1.00 0.00 C ATOM 685 C GLY A 46 -5.388 3.586 -3.312 1.00 0.00 C ATOM 686 O GLY A 46 -5.869 2.559 -3.794 1.00 0.00 O ATOM 0 H GLY A 46 -4.984 1.860 -1.593 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.980 4.438 -1.943 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.255 3.446 -3.193 1.00 0.00 H new ATOM 690 N TYR A 47 -5.938 4.790 -3.461 1.00 0.00 N ATOM 691 CA TYR A 47 -7.271 4.983 -4.009 1.00 0.00 C ATOM 692 C TYR A 47 -7.360 6.356 -4.651 1.00 0.00 C ATOM 693 O TYR A 47 -6.679 7.290 -4.224 1.00 0.00 O ATOM 694 CB TYR A 47 -8.320 4.904 -2.888 1.00 0.00 C ATOM 695 CG TYR A 47 -8.207 3.696 -1.980 1.00 0.00 C ATOM 696 CD1 TYR A 47 -8.884 2.502 -2.291 1.00 0.00 C ATOM 697 CD2 TYR A 47 -7.401 3.774 -0.828 1.00 0.00 C ATOM 698 CE1 TYR A 47 -8.778 1.390 -1.437 1.00 0.00 C ATOM 699 CE2 TYR A 47 -7.304 2.672 0.040 1.00 0.00 C ATOM 700 CZ TYR A 47 -7.999 1.477 -0.260 1.00 0.00 C ATOM 701 OH TYR A 47 -7.923 0.429 0.602 1.00 0.00 O ATOM 0 H TYR A 47 -5.468 5.658 -3.203 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.461 4.204 -4.748 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.245 5.805 -2.278 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.312 4.907 -3.340 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -9.485 2.440 -3.186 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -6.857 4.681 -0.611 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -9.291 0.471 -1.680 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.701 2.738 0.933 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.574 -0.256 0.343 1.00 0.00 H new ATOM 711 N LYS A 48 -8.261 6.499 -5.625 1.00 0.00 N ATOM 712 CA LYS A 48 -8.531 7.784 -6.272 1.00 0.00 C ATOM 713 C LYS A 48 -8.947 8.867 -5.275 1.00 0.00 C ATOM 714 O LYS A 48 -8.591 10.028 -5.483 1.00 0.00 O ATOM 715 CB LYS A 48 -9.604 7.618 -7.359 1.00 0.00 C ATOM 716 CG LYS A 48 -9.041 6.916 -8.602 1.00 0.00 C ATOM 717 CD LYS A 48 -10.120 6.776 -9.686 1.00 0.00 C ATOM 718 CE LYS A 48 -9.543 6.307 -11.029 1.00 0.00 C ATOM 719 NZ LYS A 48 -8.657 7.327 -11.648 1.00 0.00 N ATOM 0 H LYS A 48 -8.823 5.729 -5.987 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.599 8.114 -6.730 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.440 7.042 -6.962 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.995 8.596 -7.638 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.197 7.483 -8.994 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.664 5.931 -8.329 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.877 6.067 -9.352 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.620 7.735 -9.823 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.982 5.385 -10.879 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.360 6.076 -11.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.455 7.060 -12.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.129 8.253 -11.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.766 7.383 -11.115 1.00 0.00 H new ATOM 733 N TRP A 49 -9.676 8.522 -4.204 1.00 0.00 N ATOM 734 CA TRP A 49 -10.092 9.516 -3.216 1.00 0.00 C ATOM 735 C TRP A 49 -8.900 10.121 -2.461 1.00 0.00 C ATOM 736 O TRP A 49 -8.980 11.276 -2.040 1.00 0.00 O ATOM 737 CB TRP A 49 -11.184 8.972 -2.276 1.00 0.00 C ATOM 738 CG TRP A 49 -11.032 7.607 -1.661 1.00 0.00 C ATOM 739 CD1 TRP A 49 -11.780 6.527 -1.984 1.00 0.00 C ATOM 740 CD2 TRP A 49 -10.168 7.159 -0.566 1.00 0.00 C ATOM 741 NE1 TRP A 49 -11.456 5.462 -1.168 1.00 0.00 N ATOM 742 CE2 TRP A 49 -10.467 5.794 -0.269 1.00 0.00 C ATOM 743 CE3 TRP A 49 -9.168 7.766 0.220 1.00 0.00 C ATOM 744 CZ2 TRP A 49 -9.799 5.078 0.739 1.00 0.00 C ATOM 745 CZ3 TRP A 49 -8.439 7.037 1.178 1.00 0.00 C ATOM 746 CH2 TRP A 49 -8.736 5.686 1.423 1.00 0.00 C ATOM 0 H TRP A 49 -9.985 7.571 -4.005 1.00 0.00 H new ATOM 0 HA TRP A 49 -10.546 10.340 -3.766 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -11.295 9.686 -1.459 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -12.122 8.975 -2.831 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.523 6.502 -2.767 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -11.895 4.543 -1.224 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -8.956 8.816 0.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -10.101 4.070 0.984 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -7.645 7.520 1.729 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -8.151 5.120 2.132 1.00 0.00 H new ATOM 757 N ALA A 50 -7.784 9.395 -2.320 1.00 0.00 N ATOM 758 CA ALA A 50 -6.572 9.915 -1.708 1.00 0.00 C ATOM 759 C ALA A 50 -5.719 10.610 -2.770 1.00 0.00 C ATOM 760 O ALA A 50 -4.687 10.099 -3.202 1.00 0.00 O ATOM 761 CB ALA A 50 -5.809 8.820 -0.974 1.00 0.00 C ATOM 0 H ALA A 50 -7.704 8.427 -2.631 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.840 10.655 -0.954 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.908 9.241 -0.528 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.440 8.399 -0.191 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.532 8.035 -1.678 1.00 0.00 H new ATOM 767 N GLU A 51 -6.160 11.790 -3.201 1.00 0.00 N ATOM 768 CA GLU A 51 -5.425 12.629 -4.148 1.00 0.00 C ATOM 769 C GLU A 51 -4.121 13.190 -3.523 1.00 0.00 C ATOM 770 O GLU A 51 -3.321 13.823 -4.212 1.00 0.00 O ATOM 771 CB GLU A 51 -6.385 13.739 -4.623 1.00 0.00 C ATOM 772 CG GLU A 51 -5.917 14.573 -5.826 1.00 0.00 C ATOM 773 CD GLU A 51 -5.657 13.721 -7.080 1.00 0.00 C ATOM 774 OE1 GLU A 51 -6.608 13.459 -7.852 1.00 0.00 O ATOM 775 OE2 GLU A 51 -4.490 13.334 -7.315 1.00 0.00 O ATOM 0 H GLU A 51 -7.046 12.195 -2.900 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.097 12.042 -5.006 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.341 13.280 -4.876 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.567 14.415 -3.788 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.671 15.326 -6.055 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.004 15.106 -5.559 1.00 0.00 H new ATOM 782 N TYR A 52 -3.873 12.953 -2.231 1.00 0.00 N ATOM 783 CA TYR A 52 -2.648 13.291 -1.512 1.00 0.00 C ATOM 784 C TYR A 52 -2.319 12.107 -0.600 1.00 0.00 C ATOM 785 O TYR A 52 -3.227 11.404 -0.143 1.00 0.00 O ATOM 786 CB TYR A 52 -2.770 14.622 -0.749 1.00 0.00 C ATOM 787 CG TYR A 52 -4.143 15.000 -0.227 1.00 0.00 C ATOM 788 CD1 TYR A 52 -5.092 15.528 -1.120 1.00 0.00 C ATOM 789 CD2 TYR A 52 -4.458 14.873 1.138 1.00 0.00 C ATOM 790 CE1 TYR A 52 -6.365 15.910 -0.664 1.00 0.00 C ATOM 791 CE2 TYR A 52 -5.726 15.261 1.608 1.00 0.00 C ATOM 792 CZ TYR A 52 -6.688 15.778 0.708 1.00 0.00 C ATOM 793 OH TYR A 52 -7.913 16.152 1.175 1.00 0.00 O ATOM 0 H TYR A 52 -4.559 12.496 -1.630 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.828 13.455 -2.211 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.084 14.590 0.098 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.427 15.421 -1.407 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.841 15.641 -2.164 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.726 14.477 1.826 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -7.094 16.303 -1.357 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.965 15.164 2.657 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.959 15.990 2.140 1.00 0.00 H new ATOM 803 N HIS A 53 -1.035 11.845 -0.353 1.00 0.00 N ATOM 804 CA HIS A 53 -0.596 10.625 0.318 1.00 0.00 C ATOM 805 C HIS A 53 -0.920 10.697 1.804 1.00 0.00 C ATOM 806 O HIS A 53 -1.256 9.674 2.408 1.00 0.00 O ATOM 807 CB HIS A 53 0.906 10.411 0.100 1.00 0.00 C ATOM 808 CG HIS A 53 1.269 10.239 -1.354 1.00 0.00 C ATOM 809 ND1 HIS A 53 1.890 11.188 -2.172 1.00 0.00 N ATOM 810 CD2 HIS A 53 1.020 9.122 -2.090 1.00 0.00 C ATOM 811 CE1 HIS A 53 2.018 10.611 -3.376 1.00 0.00 C ATOM 812 NE2 HIS A 53 1.503 9.373 -3.351 1.00 0.00 N ATOM 0 H HIS A 53 -0.273 12.472 -0.612 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.129 9.776 -0.109 1.00 0.00 H new ATOM 0 HB2 HIS A 53 1.452 11.262 0.507 1.00 0.00 H new ATOM 0 HB3 HIS A 53 1.227 9.530 0.656 1.00 0.00 H new ATOM 0 HD2 HIS A 53 0.538 8.217 -1.750 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.470 11.076 -4.240 1.00 0.00 H new ATOM 0 HE2 HIS A 53 1.475 8.725 -4.138 1.00 0.00 H new ATOM 820 N ALA A 54 -0.901 11.903 2.379 1.00 0.00 N ATOM 821 CA ALA A 54 -1.375 12.127 3.736 1.00 0.00 C ATOM 822 C ALA A 54 -2.813 11.634 3.947 1.00 0.00 C ATOM 823 O ALA A 54 -3.141 11.254 5.070 1.00 0.00 O ATOM 824 CB ALA A 54 -1.259 13.612 4.098 1.00 0.00 C ATOM 0 H ALA A 54 -0.557 12.744 1.915 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.739 11.541 4.400 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.617 13.767 5.116 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.217 13.923 4.028 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.861 14.203 3.408 1.00 0.00 H new ATOM 830 N ASP A 55 -3.667 11.617 2.912 1.00 0.00 N ATOM 831 CA ASP A 55 -5.062 11.212 3.085 1.00 0.00 C ATOM 832 C ASP A 55 -5.155 9.728 3.428 1.00 0.00 C ATOM 833 O ASP A 55 -5.796 9.359 4.413 1.00 0.00 O ATOM 834 CB ASP A 55 -5.899 11.475 1.829 1.00 0.00 C ATOM 835 CG ASP A 55 -7.392 11.397 2.182 1.00 0.00 C ATOM 836 OD1 ASP A 55 -7.939 12.387 2.720 1.00 0.00 O ATOM 837 OD2 ASP A 55 -8.019 10.350 1.925 1.00 0.00 O ATOM 0 H ASP A 55 -3.416 11.877 1.958 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.459 11.813 3.903 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.662 12.457 1.420 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.658 10.743 1.059 1.00 0.00 H new ATOM 842 N ILE A 56 -4.468 8.879 2.652 1.00 0.00 N ATOM 843 CA ILE A 56 -4.426 7.446 2.915 1.00 0.00 C ATOM 844 C ILE A 56 -3.669 7.175 4.205 1.00 0.00 C ATOM 845 O ILE A 56 -4.102 6.300 4.948 1.00 0.00 O ATOM 846 CB ILE A 56 -3.861 6.581 1.754 1.00 0.00 C ATOM 847 CG1 ILE A 56 -2.909 7.309 0.771 1.00 0.00 C ATOM 848 CG2 ILE A 56 -5.016 5.814 1.088 1.00 0.00 C ATOM 849 CD1 ILE A 56 -2.724 6.618 -0.586 1.00 0.00 C ATOM 0 H ILE A 56 -3.933 9.169 1.833 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.466 7.136 3.013 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.175 5.857 2.193 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.289 8.316 0.600 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.933 7.413 1.245 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.626 5.205 0.272 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.497 5.170 1.824 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.745 6.523 0.695 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.041 7.203 -1.202 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.311 5.621 -0.433 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.688 6.538 -1.088 1.00 0.00 H new ATOM 861 N TYR A 57 -2.583 7.893 4.511 1.00 0.00 N ATOM 862 CA TYR A 57 -1.891 7.615 5.761 1.00 0.00 C ATOM 863 C TYR A 57 -2.790 7.936 6.960 1.00 0.00 C ATOM 864 O TYR A 57 -2.866 7.125 7.880 1.00 0.00 O ATOM 865 CB TYR A 57 -0.531 8.315 5.847 1.00 0.00 C ATOM 866 CG TYR A 57 0.228 7.927 7.107 1.00 0.00 C ATOM 867 CD1 TYR A 57 0.498 6.567 7.372 1.00 0.00 C ATOM 868 CD2 TYR A 57 0.620 8.906 8.041 1.00 0.00 C ATOM 869 CE1 TYR A 57 1.157 6.185 8.551 1.00 0.00 C ATOM 870 CE2 TYR A 57 1.287 8.533 9.222 1.00 0.00 C ATOM 871 CZ TYR A 57 1.562 7.168 9.481 1.00 0.00 C ATOM 872 OH TYR A 57 2.205 6.784 10.619 1.00 0.00 O ATOM 0 H TYR A 57 -2.183 8.636 3.937 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.674 6.547 5.786 1.00 0.00 H new ATOM 0 HB2 TYR A 57 0.065 8.059 4.971 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -0.677 9.395 5.829 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.195 5.813 6.661 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.408 9.947 7.850 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.354 5.141 8.747 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.590 9.288 9.932 1.00 0.00 H new ATOM 0 HH TYR A 57 2.420 7.575 11.156 1.00 0.00 H new ATOM 882 N ASP A 58 -3.533 9.047 6.942 1.00 0.00 N ATOM 883 CA ASP A 58 -4.462 9.381 8.020 1.00 0.00 C ATOM 884 C ASP A 58 -5.582 8.341 8.132 1.00 0.00 C ATOM 885 O ASP A 58 -5.830 7.819 9.220 1.00 0.00 O ATOM 886 CB ASP A 58 -5.060 10.775 7.810 1.00 0.00 C ATOM 887 CG ASP A 58 -6.084 11.091 8.912 1.00 0.00 C ATOM 888 OD1 ASP A 58 -5.672 11.408 10.051 1.00 0.00 O ATOM 889 OD2 ASP A 58 -7.305 11.046 8.643 1.00 0.00 O ATOM 0 H ASP A 58 -3.507 9.732 6.187 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.897 9.377 8.952 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.267 11.523 7.817 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.540 10.828 6.833 1.00 0.00 H new ATOM 894 N LYS A 59 -6.218 7.997 7.006 1.00 0.00 N ATOM 895 CA LYS A 59 -7.286 6.998 6.932 1.00 0.00 C ATOM 896 C LYS A 59 -6.806 5.657 7.477 1.00 0.00 C ATOM 897 O LYS A 59 -7.426 5.097 8.381 1.00 0.00 O ATOM 898 CB LYS A 59 -7.723 6.885 5.459 1.00 0.00 C ATOM 899 CG LYS A 59 -8.846 5.868 5.196 1.00 0.00 C ATOM 900 CD LYS A 59 -10.273 6.338 5.510 1.00 0.00 C ATOM 901 CE LYS A 59 -10.723 7.590 4.736 1.00 0.00 C ATOM 902 NZ LYS A 59 -10.927 7.350 3.283 1.00 0.00 N ATOM 0 H LYS A 59 -5.998 8.416 6.102 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.136 7.300 7.544 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.053 7.866 5.116 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.856 6.612 4.857 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.805 5.576 4.147 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.643 4.973 5.784 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.965 5.525 5.292 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.347 6.542 6.578 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.653 7.960 5.169 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -9.977 8.374 4.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -11.261 8.225 2.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -10.028 7.058 2.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.635 6.600 3.151 1.00 0.00 H new ATOM 916 N VAL A 60 -5.716 5.133 6.926 1.00 0.00 N ATOM 917 CA VAL A 60 -5.283 3.775 7.190 1.00 0.00 C ATOM 918 C VAL A 60 -4.618 3.703 8.555 1.00 0.00 C ATOM 919 O VAL A 60 -4.940 2.786 9.299 1.00 0.00 O ATOM 920 CB VAL A 60 -4.368 3.276 6.057 1.00 0.00 C ATOM 921 CG1 VAL A 60 -3.886 1.842 6.342 1.00 0.00 C ATOM 922 CG2 VAL A 60 -5.097 3.309 4.700 1.00 0.00 C ATOM 0 H VAL A 60 -5.110 5.643 6.283 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.146 3.110 7.214 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.508 3.944 6.011 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.241 1.507 5.530 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.329 1.825 7.279 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.747 1.177 6.419 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.427 2.951 3.918 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.978 2.668 4.744 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.403 4.331 4.476 1.00 0.00 H new ATOM 932 N SER A 61 -3.739 4.637 8.933 1.00 0.00 N ATOM 933 CA SER A 61 -3.140 4.595 10.260 1.00 0.00 C ATOM 934 C SER A 61 -4.238 4.752 11.315 1.00 0.00 C ATOM 935 O SER A 61 -4.194 4.057 12.328 1.00 0.00 O ATOM 936 CB SER A 61 -2.030 5.643 10.395 1.00 0.00 C ATOM 937 OG SER A 61 -1.209 5.351 11.512 1.00 0.00 O ATOM 0 H SER A 61 -3.434 5.415 8.348 1.00 0.00 H new ATOM 0 HA SER A 61 -2.661 3.629 10.419 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.427 5.662 9.487 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.469 6.634 10.507 1.00 0.00 H new ATOM 0 HG SER A 61 -0.504 6.027 11.585 1.00 0.00 H new ATOM 943 N GLY A 62 -5.260 5.580 11.061 1.00 0.00 N ATOM 944 CA GLY A 62 -6.427 5.682 11.921 1.00 0.00 C ATOM 945 C GLY A 62 -7.143 4.339 12.040 1.00 0.00 C ATOM 946 O GLY A 62 -7.392 3.883 13.153 1.00 0.00 O ATOM 0 H GLY A 62 -5.292 6.196 10.249 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.124 6.025 12.910 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.113 6.429 11.521 1.00 0.00 H new ATOM 950 N ASP A 63 -7.452 3.675 10.923 1.00 0.00 N ATOM 951 CA ASP A 63 -8.151 2.390 10.941 1.00 0.00 C ATOM 952 C ASP A 63 -7.334 1.311 11.649 1.00 0.00 C ATOM 953 O ASP A 63 -7.858 0.620 12.520 1.00 0.00 O ATOM 954 CB ASP A 63 -8.512 1.928 9.529 1.00 0.00 C ATOM 955 CG ASP A 63 -9.358 0.647 9.610 1.00 0.00 C ATOM 956 OD1 ASP A 63 -10.600 0.755 9.719 1.00 0.00 O ATOM 957 OD2 ASP A 63 -8.787 -0.462 9.558 1.00 0.00 O ATOM 0 H ASP A 63 -7.226 4.011 9.987 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.073 2.545 11.502 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.066 2.710 9.009 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.606 1.742 8.953 1.00 0.00 H new ATOM 962 N MET A 64 -6.040 1.210 11.339 1.00 0.00 N ATOM 963 CA MET A 64 -5.129 0.284 11.996 1.00 0.00 C ATOM 964 C MET A 64 -5.117 0.537 13.499 1.00 0.00 C ATOM 965 O MET A 64 -5.293 -0.403 14.268 1.00 0.00 O ATOM 966 CB MET A 64 -3.716 0.420 11.412 1.00 0.00 C ATOM 967 CG MET A 64 -3.630 -0.055 9.954 1.00 0.00 C ATOM 968 SD MET A 64 -3.862 -1.834 9.727 1.00 0.00 S ATOM 969 CE MET A 64 -5.542 -1.807 9.061 1.00 0.00 C ATOM 0 H MET A 64 -5.595 1.777 10.617 1.00 0.00 H new ATOM 0 HA MET A 64 -5.475 -0.734 11.820 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.402 1.462 11.470 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.019 -0.157 12.020 1.00 0.00 H new ATOM 0 HG2 MET A 64 -4.382 0.474 9.368 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.657 0.226 9.551 1.00 0.00 H new ATOM 0 HE1 MET A 64 -5.979 -2.803 9.136 1.00 0.00 H new ATOM 0 HE2 MET A 64 -6.147 -1.101 9.630 1.00 0.00 H new ATOM 0 HE3 MET A 64 -5.514 -1.501 8.015 1.00 0.00 H new ATOM 979 N GLN A 65 -4.984 1.790 13.931 1.00 0.00 N ATOM 980 CA GLN A 65 -4.971 2.143 15.338 1.00 0.00 C ATOM 981 C GLN A 65 -6.327 1.882 16.003 1.00 0.00 C ATOM 982 O GLN A 65 -6.348 1.507 17.174 1.00 0.00 O ATOM 983 CB GLN A 65 -4.534 3.605 15.483 1.00 0.00 C ATOM 984 CG GLN A 65 -3.022 3.790 15.264 1.00 0.00 C ATOM 985 CD GLN A 65 -2.635 5.269 15.328 1.00 0.00 C ATOM 986 OE1 GLN A 65 -2.753 5.913 16.369 1.00 0.00 O ATOM 987 NE2 GLN A 65 -2.167 5.855 14.238 1.00 0.00 N ATOM 0 H GLN A 65 -4.882 2.589 13.306 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.254 1.507 15.858 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.080 4.217 14.765 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.801 3.964 16.477 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.471 3.233 16.022 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.738 3.378 14.296 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.069 5.321 13.374 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.904 6.840 14.261 1.00 0.00 H new ATOM 996 N LYS A 66 -7.452 1.994 15.285 1.00 0.00 N ATOM 997 CA LYS A 66 -8.760 1.567 15.791 1.00 0.00 C ATOM 998 C LYS A 66 -8.810 0.044 15.947 1.00 0.00 C ATOM 999 O LYS A 66 -9.416 -0.434 16.908 1.00 0.00 O ATOM 1000 CB LYS A 66 -9.892 2.111 14.899 1.00 0.00 C ATOM 1001 CG LYS A 66 -10.107 3.619 15.136 1.00 0.00 C ATOM 1002 CD LYS A 66 -11.200 4.246 14.255 1.00 0.00 C ATOM 1003 CE LYS A 66 -10.811 4.338 12.769 1.00 0.00 C ATOM 1004 NZ LYS A 66 -11.866 5.003 11.960 1.00 0.00 N ATOM 0 H LYS A 66 -7.480 2.381 14.342 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.911 1.990 16.784 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.650 1.935 13.851 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.816 1.571 15.108 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -10.365 3.778 16.183 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.167 4.141 14.956 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -12.113 3.658 14.348 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.426 5.246 14.626 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -9.877 4.891 12.672 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.631 3.337 12.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.566 5.045 10.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.751 4.462 12.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.020 5.968 12.316 1.00 0.00 H new ATOM 1018 N GLN A 67 -8.159 -0.731 15.070 1.00 0.00 N ATOM 1019 CA GLN A 67 -7.974 -2.169 15.284 1.00 0.00 C ATOM 1020 C GLN A 67 -6.934 -2.439 16.389 1.00 0.00 C ATOM 1021 O GLN A 67 -6.846 -3.561 16.885 1.00 0.00 O ATOM 1022 CB GLN A 67 -7.578 -2.876 13.973 1.00 0.00 C ATOM 1023 CG GLN A 67 -8.657 -2.777 12.879 1.00 0.00 C ATOM 1024 CD GLN A 67 -8.312 -3.618 11.646 1.00 0.00 C ATOM 1025 OE1 GLN A 67 -8.031 -4.808 11.745 1.00 0.00 O ATOM 1026 NE2 GLN A 67 -8.335 -3.056 10.449 1.00 0.00 N ATOM 0 H GLN A 67 -7.751 -0.383 14.203 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.928 -2.580 15.615 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -6.651 -2.442 13.600 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -7.377 -3.927 14.181 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -9.614 -3.106 13.284 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.777 -1.735 12.583 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.567 -2.067 10.354 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -8.121 -3.611 9.621 1.00 0.00 H new ATOM 1035 N GLY A 68 -6.139 -1.436 16.774 1.00 0.00 N ATOM 1036 CA GLY A 68 -5.124 -1.461 17.822 1.00 0.00 C ATOM 1037 C GLY A 68 -3.703 -1.386 17.255 1.00 0.00 C ATOM 1038 O GLY A 68 -2.789 -0.926 17.939 1.00 0.00 O ATOM 0 H GLY A 68 -6.195 -0.521 16.327 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.286 -0.625 18.502 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.232 -2.374 18.408 1.00 0.00 H new ATOM 1042 N CYS A 69 -3.528 -1.827 16.007 1.00 0.00 N ATOM 1043 CA CYS A 69 -2.256 -1.940 15.312 1.00 0.00 C ATOM 1044 C CYS A 69 -1.502 -0.608 15.279 1.00 0.00 C ATOM 1045 O CYS A 69 -2.103 0.463 15.196 1.00 0.00 O ATOM 1046 CB CYS A 69 -2.527 -2.428 13.888 1.00 0.00 C ATOM 1047 SG CYS A 69 -3.113 -4.145 13.918 1.00 0.00 S ATOM 0 H CYS A 69 -4.313 -2.129 15.430 1.00 0.00 H new ATOM 0 HA CYS A 69 -1.625 -2.649 15.847 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -3.271 -1.790 13.412 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.618 -2.356 13.291 1.00 0.00 H new ATOM 0 HG CYS A 69 -3.541 -4.478 12.737 1.00 0.00 H new ATOM 1053 N ASP A 70 -0.173 -0.691 15.272 1.00 0.00 N ATOM 1054 CA ASP A 70 0.724 0.460 15.192 1.00 0.00 C ATOM 1055 C ASP A 70 1.367 0.451 13.808 1.00 0.00 C ATOM 1056 O ASP A 70 1.660 -0.632 13.295 1.00 0.00 O ATOM 1057 CB ASP A 70 1.772 0.361 16.302 1.00 0.00 C ATOM 1058 CG ASP A 70 2.813 1.484 16.177 1.00 0.00 C ATOM 1059 OD1 ASP A 70 2.431 2.673 16.249 1.00 0.00 O ATOM 1060 OD2 ASP A 70 4.017 1.182 16.025 1.00 0.00 O ATOM 0 H ASP A 70 0.322 -1.582 15.323 1.00 0.00 H new ATOM 0 HA ASP A 70 0.186 1.398 15.330 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.284 0.419 17.275 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.269 -0.608 16.253 1.00 0.00 H new ATOM 1065 N CYS A 71 1.588 1.625 13.206 1.00 0.00 N ATOM 1066 CA CYS A 71 1.972 1.750 11.802 1.00 0.00 C ATOM 1067 C CYS A 71 3.005 2.848 11.543 1.00 0.00 C ATOM 1068 O CYS A 71 3.189 3.747 12.367 1.00 0.00 O ATOM 1069 CB CYS A 71 0.711 2.084 10.992 1.00 0.00 C ATOM 1070 SG CYS A 71 -0.402 0.666 10.961 1.00 0.00 S ATOM 0 H CYS A 71 1.504 2.521 13.687 1.00 0.00 H new ATOM 0 HA CYS A 71 2.427 0.804 11.508 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.205 2.944 11.431 1.00 0.00 H new ATOM 0 HB3 CYS A 71 0.986 2.362 9.975 1.00 0.00 H new ATOM 0 HG CYS A 71 -0.545 0.253 9.737 1.00 0.00 H new ATOM 1076 N GLU A 72 3.621 2.806 10.358 1.00 0.00 N ATOM 1077 CA GLU A 72 4.500 3.828 9.822 1.00 0.00 C ATOM 1078 C GLU A 72 4.389 3.756 8.293 1.00 0.00 C ATOM 1079 O GLU A 72 4.531 2.672 7.725 1.00 0.00 O ATOM 1080 CB GLU A 72 5.928 3.504 10.298 1.00 0.00 C ATOM 1081 CG GLU A 72 7.008 4.393 9.679 1.00 0.00 C ATOM 1082 CD GLU A 72 6.954 5.842 10.197 1.00 0.00 C ATOM 1083 OE1 GLU A 72 6.039 6.600 9.809 1.00 0.00 O ATOM 1084 OE2 GLU A 72 7.837 6.236 10.994 1.00 0.00 O ATOM 0 H GLU A 72 3.509 2.016 9.722 1.00 0.00 H new ATOM 0 HA GLU A 72 4.240 4.833 10.154 1.00 0.00 H new ATOM 0 HB2 GLU A 72 5.969 3.602 11.383 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.151 2.463 10.063 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.989 3.970 9.896 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.894 4.395 8.595 1.00 0.00 H new ATOM 1091 N CYS A 73 4.129 4.872 7.607 1.00 0.00 N ATOM 1092 CA CYS A 73 4.231 4.920 6.151 1.00 0.00 C ATOM 1093 C CYS A 73 5.724 4.914 5.795 1.00 0.00 C ATOM 1094 O CYS A 73 6.464 5.831 6.160 1.00 0.00 O ATOM 1095 CB CYS A 73 3.486 6.133 5.559 1.00 0.00 C ATOM 1096 SG CYS A 73 3.777 7.635 6.536 1.00 0.00 S ATOM 0 H CYS A 73 3.847 5.752 8.038 1.00 0.00 H new ATOM 0 HA CYS A 73 3.744 4.050 5.709 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.813 6.297 4.532 1.00 0.00 H new ATOM 0 HB3 CYS A 73 2.417 5.923 5.523 1.00 0.00 H new ATOM 0 HG CYS A 73 4.162 8.596 5.750 1.00 0.00 H new ATOM 1102 N LEU A 74 6.181 3.877 5.088 1.00 0.00 N ATOM 1103 CA LEU A 74 7.551 3.813 4.588 1.00 0.00 C ATOM 1104 C LEU A 74 7.757 4.821 3.451 1.00 0.00 C ATOM 1105 O LEU A 74 8.888 5.244 3.211 1.00 0.00 O ATOM 1106 CB LEU A 74 7.902 2.387 4.125 1.00 0.00 C ATOM 1107 CG LEU A 74 7.821 1.299 5.217 1.00 0.00 C ATOM 1108 CD1 LEU A 74 8.407 -0.015 4.683 1.00 0.00 C ATOM 1109 CD2 LEU A 74 8.559 1.680 6.507 1.00 0.00 C ATOM 0 H LEU A 74 5.613 3.064 4.849 1.00 0.00 H new ATOM 0 HA LEU A 74 8.224 4.075 5.405 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.231 2.112 3.311 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.913 2.394 3.717 1.00 0.00 H new ATOM 0 HG LEU A 74 6.765 1.187 5.464 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.348 -0.781 5.457 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.841 -0.338 3.809 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.449 0.139 4.403 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.463 0.873 7.233 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.613 1.847 6.287 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.125 2.591 6.919 1.00 0.00 H new ATOM 1121 N GLY A 75 6.680 5.225 2.769 1.00 0.00 N ATOM 1122 CA GLY A 75 6.677 6.292 1.783 1.00 0.00 C ATOM 1123 C GLY A 75 5.363 6.286 1.012 1.00 0.00 C ATOM 1124 O GLY A 75 4.440 5.535 1.351 1.00 0.00 O ATOM 0 H GLY A 75 5.762 4.800 2.898 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.814 7.254 2.276 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.513 6.165 1.095 1.00 0.00 H new ATOM 1128 N GLY A 76 5.300 7.091 -0.046 1.00 0.00 N ATOM 1129 CA GLY A 76 4.176 7.139 -0.969 1.00 0.00 C ATOM 1130 C GLY A 76 4.659 7.091 -2.412 1.00 0.00 C ATOM 1131 O GLY A 76 5.858 7.206 -2.678 1.00 0.00 O ATOM 0 H GLY A 76 6.047 7.741 -0.288 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.506 6.301 -0.777 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.602 8.051 -0.803 1.00 0.00 H new ATOM 1135 N GLY A 77 3.714 6.919 -3.333 1.00 0.00 N ATOM 1136 CA GLY A 77 3.958 6.792 -4.758 1.00 0.00 C ATOM 1137 C GLY A 77 2.633 6.749 -5.509 1.00 0.00 C ATOM 1138 O GLY A 77 1.588 7.150 -4.992 1.00 0.00 O ATOM 0 H GLY A 77 2.724 6.863 -3.094 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.558 7.631 -5.109 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.529 5.886 -4.959 1.00 0.00 H new ATOM 1142 N ARG A 78 2.648 6.269 -6.743 1.00 0.00 N ATOM 1143 CA ARG A 78 1.523 6.299 -7.666 1.00 0.00 C ATOM 1144 C ARG A 78 1.522 4.994 -8.439 1.00 0.00 C ATOM 1145 O ARG A 78 2.583 4.406 -8.653 1.00 0.00 O ATOM 1146 CB ARG A 78 1.673 7.541 -8.570 1.00 0.00 C ATOM 1147 CG ARG A 78 0.889 7.474 -9.889 1.00 0.00 C ATOM 1148 CD ARG A 78 1.001 8.777 -10.675 1.00 0.00 C ATOM 1149 NE ARG A 78 0.447 8.600 -12.027 1.00 0.00 N ATOM 1150 CZ ARG A 78 0.326 9.547 -12.967 1.00 0.00 C ATOM 1151 NH1 ARG A 78 0.707 10.798 -12.726 1.00 0.00 N ATOM 1152 NH2 ARG A 78 -0.188 9.226 -14.152 1.00 0.00 N ATOM 0 H ARG A 78 3.477 5.831 -7.145 1.00 0.00 H new ATOM 0 HA ARG A 78 0.563 6.383 -7.157 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.347 8.420 -8.014 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.730 7.682 -8.798 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.265 6.649 -10.495 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -0.160 7.264 -9.679 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.466 9.572 -10.155 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.045 9.084 -10.738 1.00 0.00 H new ATOM 0 HE ARG A 78 0.123 7.664 -12.272 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.097 11.046 -11.817 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.609 11.509 -13.450 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.485 8.268 -14.336 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.285 9.938 -14.876 1.00 0.00 H new ATOM 1166 N ILE A 79 0.337 4.578 -8.878 1.00 0.00 N ATOM 1167 CA ILE A 79 0.140 3.431 -9.742 1.00 0.00 C ATOM 1168 C ILE A 79 -0.614 3.957 -10.966 1.00 0.00 C ATOM 1169 O ILE A 79 -1.531 4.776 -10.837 1.00 0.00 O ATOM 1170 CB ILE A 79 -0.604 2.290 -8.997 1.00 0.00 C ATOM 1171 CG1 ILE A 79 0.127 1.925 -7.679 1.00 0.00 C ATOM 1172 CG2 ILE A 79 -0.740 1.052 -9.911 1.00 0.00 C ATOM 1173 CD1 ILE A 79 -0.485 0.781 -6.861 1.00 0.00 C ATOM 0 H ILE A 79 -0.534 5.047 -8.632 1.00 0.00 H new ATOM 0 HA ILE A 79 1.082 2.980 -10.054 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.604 2.640 -8.740 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.157 1.661 -7.920 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.164 2.814 -7.050 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.264 0.260 -9.375 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.304 1.320 -10.805 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.251 0.701 -10.199 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.111 0.616 -5.963 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.505 1.042 -6.577 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.497 -0.129 -7.461 1.00 0.00 H new ATOM 1333 N HIS A 89 2.476 0.077 -13.747 1.00 0.00 N ATOM 1334 CA HIS A 89 3.710 0.659 -13.245 1.00 0.00 C ATOM 1335 C HIS A 89 3.469 1.338 -11.910 1.00 0.00 C ATOM 1336 O HIS A 89 2.382 1.864 -11.662 1.00 0.00 O ATOM 1337 CB HIS A 89 4.270 1.637 -14.281 1.00 0.00 C ATOM 1338 CG HIS A 89 5.759 1.832 -14.167 1.00 0.00 C ATOM 1339 ND1 HIS A 89 6.707 0.854 -14.354 1.00 0.00 N ATOM 1340 CD2 HIS A 89 6.429 3.001 -13.920 1.00 0.00 C ATOM 1341 CE1 HIS A 89 7.918 1.418 -14.231 1.00 0.00 C ATOM 1342 NE2 HIS A 89 7.803 2.733 -13.974 1.00 0.00 N ATOM 0 HA HIS A 89 4.446 -0.128 -13.082 1.00 0.00 H new ATOM 0 HB2 HIS A 89 4.033 1.273 -15.281 1.00 0.00 H new ATOM 0 HB3 HIS A 89 3.774 2.601 -14.167 1.00 0.00 H new ATOM 0 HD2 HIS A 89 5.977 3.961 -13.719 1.00 0.00 H new ATOM 0 HE1 HIS A 89 8.855 0.889 -14.325 1.00 0.00 H new ATOM 0 HE2 HIS A 89 8.563 3.401 -13.844 1.00 0.00 H new ATOM 1350 N VAL A 90 4.508 1.362 -11.080 1.00 0.00 N ATOM 1351 CA VAL A 90 4.500 1.952 -9.756 1.00 0.00 C ATOM 1352 C VAL A 90 5.716 2.878 -9.700 1.00 0.00 C ATOM 1353 O VAL A 90 6.826 2.455 -10.021 1.00 0.00 O ATOM 1354 CB VAL A 90 4.534 0.848 -8.677 1.00 0.00 C ATOM 1355 CG1 VAL A 90 4.280 1.465 -7.298 1.00 0.00 C ATOM 1356 CG2 VAL A 90 3.501 -0.269 -8.910 1.00 0.00 C ATOM 0 H VAL A 90 5.410 0.954 -11.326 1.00 0.00 H new ATOM 0 HA VAL A 90 3.592 2.522 -9.560 1.00 0.00 H new ATOM 0 HB VAL A 90 5.524 0.396 -8.735 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.305 0.683 -6.539 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.052 2.204 -7.082 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.303 1.948 -7.290 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.581 -1.010 -8.115 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.498 0.157 -8.909 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.692 -0.746 -9.871 1.00 0.00 H new ATOM 1366 N TYR A 91 5.520 4.153 -9.371 1.00 0.00 N ATOM 1367 CA TYR A 91 6.559 5.179 -9.446 1.00 0.00 C ATOM 1368 C TYR A 91 6.107 6.409 -8.650 1.00 0.00 C ATOM 1369 O TYR A 91 5.126 6.331 -7.912 1.00 0.00 O ATOM 1370 CB TYR A 91 6.892 5.507 -10.918 1.00 0.00 C ATOM 1371 CG TYR A 91 5.863 6.298 -11.713 1.00 0.00 C ATOM 1372 CD1 TYR A 91 4.562 5.799 -11.931 1.00 0.00 C ATOM 1373 CD2 TYR A 91 6.238 7.528 -12.287 1.00 0.00 C ATOM 1374 CE1 TYR A 91 3.644 6.527 -12.707 1.00 0.00 C ATOM 1375 CE2 TYR A 91 5.331 8.256 -13.073 1.00 0.00 C ATOM 1376 CZ TYR A 91 4.032 7.753 -13.299 1.00 0.00 C ATOM 1377 OH TYR A 91 3.186 8.450 -14.107 1.00 0.00 O ATOM 0 H TYR A 91 4.623 4.508 -9.040 1.00 0.00 H new ATOM 0 HA TYR A 91 7.483 4.813 -8.998 1.00 0.00 H new ATOM 0 HB2 TYR A 91 7.829 6.063 -10.935 1.00 0.00 H new ATOM 0 HB3 TYR A 91 7.070 4.567 -11.440 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.270 4.853 -11.500 1.00 0.00 H new ATOM 0 HD2 TYR A 91 7.233 7.915 -12.121 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.642 6.151 -12.852 1.00 0.00 H new ATOM 0 HE2 TYR A 91 5.627 9.201 -13.505 1.00 0.00 H new ATOM 0 HH TYR A 91 3.629 9.267 -14.418 1.00 0.00 H new ATOM 1387 N GLY A 92 6.791 7.545 -8.786 1.00 0.00 N ATOM 1388 CA GLY A 92 6.469 8.771 -8.071 1.00 0.00 C ATOM 1389 C GLY A 92 6.956 8.719 -6.625 1.00 0.00 C ATOM 1390 O GLY A 92 7.632 7.772 -6.213 1.00 0.00 O ATOM 0 H GLY A 92 7.596 7.636 -9.406 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.925 9.621 -8.579 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.391 8.931 -8.088 1.00 0.00 H new ATOM 1394 N TYR A 93 6.639 9.763 -5.859 1.00 0.00 N ATOM 1395 CA TYR A 93 7.022 9.893 -4.461 1.00 0.00 C ATOM 1396 C TYR A 93 6.112 10.886 -3.739 1.00 0.00 C ATOM 1397 O TYR A 93 5.604 11.830 -4.350 1.00 0.00 O ATOM 1398 CB TYR A 93 8.489 10.346 -4.353 1.00 0.00 C ATOM 1399 CG TYR A 93 8.920 11.543 -5.188 1.00 0.00 C ATOM 1400 CD1 TYR A 93 8.740 12.854 -4.705 1.00 0.00 C ATOM 1401 CD2 TYR A 93 9.573 11.341 -6.420 1.00 0.00 C ATOM 1402 CE1 TYR A 93 9.219 13.956 -5.435 1.00 0.00 C ATOM 1403 CE2 TYR A 93 10.062 12.437 -7.153 1.00 0.00 C ATOM 1404 CZ TYR A 93 9.898 13.751 -6.658 1.00 0.00 C ATOM 1405 OH TYR A 93 10.381 14.805 -7.373 1.00 0.00 O ATOM 0 H TYR A 93 6.098 10.556 -6.204 1.00 0.00 H new ATOM 0 HA TYR A 93 6.914 8.919 -3.985 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.694 10.575 -3.307 1.00 0.00 H new ATOM 0 HB3 TYR A 93 9.122 9.501 -4.625 1.00 0.00 H new ATOM 0 HD1 TYR A 93 8.230 13.014 -3.767 1.00 0.00 H new ATOM 0 HD2 TYR A 93 9.699 10.339 -6.803 1.00 0.00 H new ATOM 0 HE1 TYR A 93 9.068 14.958 -5.062 1.00 0.00 H new ATOM 0 HE2 TYR A 93 10.564 12.275 -8.096 1.00 0.00 H new ATOM 0 HH TYR A 93 10.819 14.476 -8.185 1.00 0.00 H new ATOM 1415 N SER A 94 5.910 10.667 -2.438 1.00 0.00 N ATOM 1416 CA SER A 94 5.273 11.644 -1.559 1.00 0.00 C ATOM 1417 C SER A 94 6.307 12.743 -1.281 1.00 0.00 C ATOM 1418 O SER A 94 7.510 12.508 -1.440 1.00 0.00 O ATOM 1419 CB SER A 94 4.821 10.923 -0.280 1.00 0.00 C ATOM 1420 OG SER A 94 4.597 11.795 0.802 1.00 0.00 O ATOM 0 H SER A 94 6.185 9.806 -1.966 1.00 0.00 H new ATOM 0 HA SER A 94 4.390 12.101 -2.005 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.905 10.370 -0.488 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.578 10.191 0.003 1.00 0.00 H new ATOM 0 HG SER A 94 3.636 11.967 0.890 1.00 0.00 H new ATOM 1426 N MET A 95 5.876 13.915 -0.805 1.00 0.00 N ATOM 1427 CA MET A 95 6.799 14.937 -0.318 1.00 0.00 C ATOM 1428 C MET A 95 6.809 14.975 1.210 1.00 0.00 C ATOM 1429 O MET A 95 7.863 15.249 1.787 1.00 0.00 O ATOM 1430 CB MET A 95 6.500 16.311 -0.933 1.00 0.00 C ATOM 1431 CG MET A 95 5.132 16.877 -0.540 1.00 0.00 C ATOM 1432 SD MET A 95 4.788 18.541 -1.190 1.00 0.00 S ATOM 1433 CE MET A 95 5.916 19.545 -0.179 1.00 0.00 C ATOM 0 H MET A 95 4.892 14.177 -0.748 1.00 0.00 H new ATOM 0 HA MET A 95 7.804 14.667 -0.643 1.00 0.00 H new ATOM 0 HB2 MET A 95 7.275 17.013 -0.626 1.00 0.00 H new ATOM 0 HB3 MET A 95 6.552 16.232 -2.019 1.00 0.00 H new ATOM 0 HG2 MET A 95 4.357 16.196 -0.892 1.00 0.00 H new ATOM 0 HG3 MET A 95 5.063 16.904 0.547 1.00 0.00 H new ATOM 0 HE1 MET A 95 5.721 20.602 -0.358 1.00 0.00 H new ATOM 0 HE2 MET A 95 5.757 19.320 0.876 1.00 0.00 H new ATOM 0 HE3 MET A 95 6.947 19.315 -0.448 1.00 0.00 H new ATOM 1443 N ALA A 96 5.693 14.662 1.882 1.00 0.00 N ATOM 1444 CA ALA A 96 5.687 14.562 3.338 1.00 0.00 C ATOM 1445 C ALA A 96 6.393 13.286 3.820 1.00 0.00 C ATOM 1446 O ALA A 96 6.916 13.276 4.937 1.00 0.00 O ATOM 1447 CB ALA A 96 4.252 14.617 3.864 1.00 0.00 C ATOM 0 H ALA A 96 4.793 14.476 1.440 1.00 0.00 H new ATOM 0 HA ALA A 96 6.242 15.412 3.736 1.00 0.00 H new ATOM 0 HB1 ALA A 96 4.260 14.542 4.951 1.00 0.00 H new ATOM 0 HB2 ALA A 96 3.792 15.560 3.569 1.00 0.00 H new ATOM 0 HB3 ALA A 96 3.680 13.788 3.447 1.00 0.00 H new ATOM 1453 N TYR A 97 6.438 12.234 2.992 1.00 0.00 N ATOM 1454 CA TYR A 97 6.880 10.898 3.392 1.00 0.00 C ATOM 1455 C TYR A 97 7.886 10.271 2.414 1.00 0.00 C ATOM 1456 O TYR A 97 8.452 9.221 2.723 1.00 0.00 O ATOM 1457 CB TYR A 97 5.646 9.998 3.571 1.00 0.00 C ATOM 1458 CG TYR A 97 4.540 10.602 4.423 1.00 0.00 C ATOM 1459 CD1 TYR A 97 4.690 10.684 5.821 1.00 0.00 C ATOM 1460 CD2 TYR A 97 3.374 11.114 3.821 1.00 0.00 C ATOM 1461 CE1 TYR A 97 3.668 11.232 6.616 1.00 0.00 C ATOM 1462 CE2 TYR A 97 2.343 11.650 4.608 1.00 0.00 C ATOM 1463 CZ TYR A 97 2.484 11.713 6.014 1.00 0.00 C ATOM 1464 OH TYR A 97 1.504 12.254 6.793 1.00 0.00 O ATOM 0 H TYR A 97 6.164 12.291 2.011 1.00 0.00 H new ATOM 0 HA TYR A 97 7.416 10.993 4.337 1.00 0.00 H new ATOM 0 HB2 TYR A 97 5.240 9.760 2.588 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.961 9.057 4.022 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.596 10.324 6.285 1.00 0.00 H new ATOM 0 HD2 TYR A 97 3.273 11.094 2.746 1.00 0.00 H new ATOM 0 HE1 TYR A 97 3.788 11.285 7.688 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.441 12.015 4.140 1.00 0.00 H new ATOM 0 HH TYR A 97 0.756 12.538 6.227 1.00 0.00 H new ATOM 1474 N GLY A 98 8.161 10.909 1.270 1.00 0.00 N ATOM 1475 CA GLY A 98 9.206 10.479 0.343 1.00 0.00 C ATOM 1476 C GLY A 98 8.795 9.283 -0.526 1.00 0.00 C ATOM 1477 O GLY A 98 7.640 8.843 -0.478 1.00 0.00 O ATOM 0 H GLY A 98 7.660 11.743 0.963 1.00 0.00 H new ATOM 0 HA2 GLY A 98 9.473 11.314 -0.304 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.099 10.217 0.910 1.00 0.00 H new ATOM 1481 N PRO A 99 9.717 8.761 -1.356 1.00 0.00 N ATOM 1482 CA PRO A 99 9.481 7.574 -2.168 1.00 0.00 C ATOM 1483 C PRO A 99 9.344 6.336 -1.279 1.00 0.00 C ATOM 1484 O PRO A 99 10.143 6.119 -0.363 1.00 0.00 O ATOM 1485 CB PRO A 99 10.699 7.445 -3.093 1.00 0.00 C ATOM 1486 CG PRO A 99 11.810 8.183 -2.348 1.00 0.00 C ATOM 1487 CD PRO A 99 11.068 9.266 -1.566 1.00 0.00 C ATOM 0 HA PRO A 99 8.557 7.658 -2.740 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.960 6.401 -3.266 1.00 0.00 H new ATOM 0 HB3 PRO A 99 10.508 7.892 -4.069 1.00 0.00 H new ATOM 0 HG2 PRO A 99 12.358 7.515 -1.684 1.00 0.00 H new ATOM 0 HG3 PRO A 99 12.536 8.614 -3.037 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.561 9.466 -0.615 1.00 0.00 H new ATOM 0 HD3 PRO A 99 11.051 10.204 -2.120 1.00 0.00 H new ATOM 1495 N ALA A 100 8.344 5.506 -1.571 1.00 0.00 N ATOM 1496 CA ALA A 100 8.206 4.185 -0.973 1.00 0.00 C ATOM 1497 C ALA A 100 9.188 3.190 -1.610 1.00 0.00 C ATOM 1498 O ALA A 100 9.764 3.449 -2.670 1.00 0.00 O ATOM 1499 CB ALA A 100 6.779 3.705 -1.215 1.00 0.00 C ATOM 0 H ALA A 100 7.603 5.735 -2.234 1.00 0.00 H new ATOM 0 HA ALA A 100 8.425 4.245 0.093 1.00 0.00 H new ATOM 0 HB1 ALA A 100 6.649 2.716 -0.776 1.00 0.00 H new ATOM 0 HB2 ALA A 100 6.078 4.401 -0.755 1.00 0.00 H new ATOM 0 HB3 ALA A 100 6.589 3.654 -2.287 1.00 0.00 H new ATOM 1505 N GLN A 101 9.332 2.014 -0.989 1.00 0.00 N ATOM 1506 CA GLN A 101 10.043 0.880 -1.570 1.00 0.00 C ATOM 1507 C GLN A 101 9.090 0.164 -2.527 1.00 0.00 C ATOM 1508 O GLN A 101 8.496 -0.857 -2.179 1.00 0.00 O ATOM 1509 CB GLN A 101 10.568 -0.077 -0.486 1.00 0.00 C ATOM 1510 CG GLN A 101 11.677 0.526 0.384 1.00 0.00 C ATOM 1511 CD GLN A 101 12.887 1.012 -0.421 1.00 0.00 C ATOM 1512 OE1 GLN A 101 13.426 0.301 -1.265 1.00 0.00 O ATOM 1513 NE2 GLN A 101 13.335 2.237 -0.196 1.00 0.00 N ATOM 0 H GLN A 101 8.953 1.825 -0.061 1.00 0.00 H new ATOM 0 HA GLN A 101 10.919 1.237 -2.113 1.00 0.00 H new ATOM 0 HB2 GLN A 101 9.738 -0.377 0.154 1.00 0.00 H new ATOM 0 HB3 GLN A 101 10.945 -0.981 -0.964 1.00 0.00 H new ATOM 0 HG2 GLN A 101 11.269 1.362 0.952 1.00 0.00 H new ATOM 0 HG3 GLN A 101 12.007 -0.220 1.107 1.00 0.00 H new ATOM 0 HE21 GLN A 101 12.884 2.824 0.506 1.00 0.00 H new ATOM 0 HE22 GLN A 101 14.131 2.594 -0.725 1.00 0.00 H new ATOM 1522 N HIS A 102 8.943 0.707 -3.737 1.00 0.00 N ATOM 1523 CA HIS A 102 8.060 0.171 -4.772 1.00 0.00 C ATOM 1524 C HIS A 102 8.338 -1.298 -5.114 1.00 0.00 C ATOM 1525 O HIS A 102 7.444 -1.977 -5.611 1.00 0.00 O ATOM 1526 CB HIS A 102 8.131 1.065 -6.015 1.00 0.00 C ATOM 1527 CG HIS A 102 7.731 2.482 -5.696 1.00 0.00 C ATOM 1528 ND1 HIS A 102 8.527 3.606 -5.721 1.00 0.00 N ATOM 1529 CD2 HIS A 102 6.534 2.852 -5.152 1.00 0.00 C ATOM 1530 CE1 HIS A 102 7.815 4.622 -5.201 1.00 0.00 C ATOM 1531 NE2 HIS A 102 6.585 4.213 -4.850 1.00 0.00 N ATOM 0 H HIS A 102 9.444 1.546 -4.029 1.00 0.00 H new ATOM 0 HA HIS A 102 7.045 0.181 -4.374 1.00 0.00 H new ATOM 0 HB2 HIS A 102 9.144 1.053 -6.416 1.00 0.00 H new ATOM 0 HB3 HIS A 102 7.476 0.666 -6.790 1.00 0.00 H new ATOM 0 HD1 HIS A 102 9.484 3.658 -6.071 1.00 0.00 H new ATOM 0 HD2 HIS A 102 5.690 2.200 -4.984 1.00 0.00 H new ATOM 0 HE1 HIS A 102 8.183 5.630 -5.082 1.00 0.00 H new ATOM 1539 N ALA A 103 9.539 -1.795 -4.796 1.00 0.00 N ATOM 1540 CA ALA A 103 9.903 -3.203 -4.864 1.00 0.00 C ATOM 1541 C ALA A 103 8.919 -4.095 -4.091 1.00 0.00 C ATOM 1542 O ALA A 103 8.523 -5.154 -4.580 1.00 0.00 O ATOM 1543 CB ALA A 103 11.316 -3.351 -4.280 1.00 0.00 C ATOM 0 H ALA A 103 10.305 -1.203 -4.474 1.00 0.00 H new ATOM 0 HA ALA A 103 9.870 -3.528 -5.904 1.00 0.00 H new ATOM 0 HB1 ALA A 103 11.617 -4.398 -4.317 1.00 0.00 H new ATOM 0 HB2 ALA A 103 12.015 -2.751 -4.863 1.00 0.00 H new ATOM 0 HB3 ALA A 103 11.320 -3.009 -3.245 1.00 0.00 H new ATOM 1549 N ILE A 104 8.531 -3.682 -2.878 1.00 0.00 N ATOM 1550 CA ILE A 104 7.591 -4.431 -2.050 1.00 0.00 C ATOM 1551 C ILE A 104 6.247 -4.444 -2.785 1.00 0.00 C ATOM 1552 O ILE A 104 5.638 -5.502 -2.956 1.00 0.00 O ATOM 1553 CB ILE A 104 7.482 -3.787 -0.644 1.00 0.00 C ATOM 1554 CG1 ILE A 104 8.863 -3.701 0.049 1.00 0.00 C ATOM 1555 CG2 ILE A 104 6.483 -4.563 0.237 1.00 0.00 C ATOM 1556 CD1 ILE A 104 8.838 -2.941 1.380 1.00 0.00 C ATOM 0 H ILE A 104 8.863 -2.819 -2.447 1.00 0.00 H new ATOM 0 HA ILE A 104 7.929 -5.455 -1.894 1.00 0.00 H new ATOM 0 HB ILE A 104 7.111 -2.770 -0.776 1.00 0.00 H new ATOM 0 HG12 ILE A 104 9.235 -4.710 0.224 1.00 0.00 H new ATOM 0 HG13 ILE A 104 9.568 -3.214 -0.624 1.00 0.00 H new ATOM 0 HG21 ILE A 104 6.423 -4.093 1.219 1.00 0.00 H new ATOM 0 HG22 ILE A 104 5.499 -4.551 -0.232 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.820 -5.594 0.348 1.00 0.00 H new ATOM 0 HD11 ILE A 104 9.841 -2.922 1.807 1.00 0.00 H new ATOM 0 HD12 ILE A 104 8.497 -1.920 1.210 1.00 0.00 H new ATOM 0 HD13 ILE A 104 8.159 -3.440 2.071 1.00 0.00 H new ATOM 1568 N SER A 105 5.811 -3.270 -3.244 1.00 0.00 N ATOM 1569 CA SER A 105 4.534 -3.067 -3.895 1.00 0.00 C ATOM 1570 C SER A 105 4.411 -3.968 -5.119 1.00 0.00 C ATOM 1571 O SER A 105 3.429 -4.697 -5.222 1.00 0.00 O ATOM 1572 CB SER A 105 4.367 -1.583 -4.264 1.00 0.00 C ATOM 1573 OG SER A 105 5.069 -0.776 -3.336 1.00 0.00 O ATOM 0 H SER A 105 6.360 -2.414 -3.166 1.00 0.00 H new ATOM 0 HA SER A 105 3.732 -3.337 -3.208 1.00 0.00 H new ATOM 0 HB2 SER A 105 4.742 -1.405 -5.272 1.00 0.00 H new ATOM 0 HB3 SER A 105 3.310 -1.316 -4.266 1.00 0.00 H new ATOM 0 HG SER A 105 4.754 0.149 -3.403 1.00 0.00 H new ATOM 1579 N THR A 106 5.391 -3.978 -6.025 1.00 0.00 N ATOM 1580 CA THR A 106 5.271 -4.741 -7.255 1.00 0.00 C ATOM 1581 C THR A 106 5.200 -6.231 -6.968 1.00 0.00 C ATOM 1582 O THR A 106 4.308 -6.883 -7.503 1.00 0.00 O ATOM 1583 CB THR A 106 6.403 -4.402 -8.230 1.00 0.00 C ATOM 1584 OG1 THR A 106 7.659 -4.362 -7.580 1.00 0.00 O ATOM 1585 CG2 THR A 106 6.118 -3.042 -8.858 1.00 0.00 C ATOM 0 H THR A 106 6.269 -3.468 -5.925 1.00 0.00 H new ATOM 0 HA THR A 106 4.335 -4.458 -7.737 1.00 0.00 H new ATOM 0 HB THR A 106 6.445 -5.180 -8.992 1.00 0.00 H new ATOM 0 HG1 THR A 106 8.199 -3.636 -7.956 1.00 0.00 H new ATOM 0 HG21 THR A 106 6.917 -2.788 -9.555 1.00 0.00 H new ATOM 0 HG22 THR A 106 5.169 -3.080 -9.392 1.00 0.00 H new ATOM 0 HG23 THR A 106 6.064 -2.284 -8.076 1.00 0.00 H new ATOM 1593 N GLU A 107 6.062 -6.778 -6.107 1.00 0.00 N ATOM 1594 CA GLU A 107 6.035 -8.209 -5.830 1.00 0.00 C ATOM 1595 C GLU A 107 4.679 -8.620 -5.240 1.00 0.00 C ATOM 1596 O GLU A 107 4.120 -9.648 -5.633 1.00 0.00 O ATOM 1597 CB GLU A 107 7.205 -8.607 -4.917 1.00 0.00 C ATOM 1598 CG GLU A 107 8.579 -8.455 -5.594 1.00 0.00 C ATOM 1599 CD GLU A 107 8.737 -9.344 -6.840 1.00 0.00 C ATOM 1600 OE1 GLU A 107 9.016 -10.557 -6.695 1.00 0.00 O ATOM 1601 OE2 GLU A 107 8.600 -8.831 -7.974 1.00 0.00 O ATOM 0 H GLU A 107 6.776 -6.257 -5.598 1.00 0.00 H new ATOM 0 HA GLU A 107 6.158 -8.750 -6.768 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.180 -7.993 -4.017 1.00 0.00 H new ATOM 0 HB3 GLU A 107 7.075 -9.642 -4.601 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.725 -7.413 -5.877 1.00 0.00 H new ATOM 0 HG3 GLU A 107 9.361 -8.703 -4.876 1.00 0.00 H new ATOM 1608 N LYS A 108 4.102 -7.802 -4.353 1.00 0.00 N ATOM 1609 CA LYS A 108 2.803 -8.105 -3.760 1.00 0.00 C ATOM 1610 C LYS A 108 1.661 -7.924 -4.761 1.00 0.00 C ATOM 1611 O LYS A 108 0.763 -8.763 -4.804 1.00 0.00 O ATOM 1612 CB LYS A 108 2.593 -7.261 -2.496 1.00 0.00 C ATOM 1613 CG LYS A 108 3.529 -7.722 -1.369 1.00 0.00 C ATOM 1614 CD LYS A 108 3.181 -7.056 -0.034 1.00 0.00 C ATOM 1615 CE LYS A 108 3.962 -7.757 1.086 1.00 0.00 C ATOM 1616 NZ LYS A 108 3.240 -7.716 2.376 1.00 0.00 N ATOM 0 H LYS A 108 4.517 -6.927 -4.033 1.00 0.00 H new ATOM 0 HA LYS A 108 2.795 -9.157 -3.475 1.00 0.00 H new ATOM 0 HB2 LYS A 108 2.777 -6.210 -2.720 1.00 0.00 H new ATOM 0 HB3 LYS A 108 1.556 -7.340 -2.169 1.00 0.00 H new ATOM 0 HG2 LYS A 108 3.465 -8.805 -1.263 1.00 0.00 H new ATOM 0 HG3 LYS A 108 4.560 -7.488 -1.634 1.00 0.00 H new ATOM 0 HD2 LYS A 108 3.433 -5.996 -0.064 1.00 0.00 H new ATOM 0 HD3 LYS A 108 2.109 -7.124 0.154 1.00 0.00 H new ATOM 0 HE2 LYS A 108 4.145 -8.794 0.806 1.00 0.00 H new ATOM 0 HE3 LYS A 108 4.936 -7.282 1.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 3.838 -8.125 3.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 3.013 -6.730 2.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 2.360 -8.265 2.299 1.00 0.00 H new ATOM 1630 N ILE A 109 1.676 -6.875 -5.586 1.00 0.00 N ATOM 1631 CA ILE A 109 0.629 -6.642 -6.581 1.00 0.00 C ATOM 1632 C ILE A 109 0.683 -7.769 -7.625 1.00 0.00 C ATOM 1633 O ILE A 109 -0.368 -8.311 -7.965 1.00 0.00 O ATOM 1634 CB ILE A 109 0.737 -5.210 -7.172 1.00 0.00 C ATOM 1635 CG1 ILE A 109 0.481 -4.145 -6.072 1.00 0.00 C ATOM 1636 CG2 ILE A 109 -0.298 -4.964 -8.292 1.00 0.00 C ATOM 1637 CD1 ILE A 109 0.958 -2.741 -6.469 1.00 0.00 C ATOM 0 H ILE A 109 2.410 -6.167 -5.583 1.00 0.00 H new ATOM 0 HA ILE A 109 -0.360 -6.678 -6.123 1.00 0.00 H new ATOM 0 HB ILE A 109 1.745 -5.124 -7.578 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -0.586 -4.110 -5.850 1.00 0.00 H new ATOM 0 HG13 ILE A 109 0.988 -4.449 -5.156 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -0.185 -3.950 -8.675 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -0.136 -5.677 -9.100 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -1.304 -5.091 -7.892 1.00 0.00 H new ATOM 0 HD11 ILE A 109 0.750 -2.043 -5.658 1.00 0.00 H new ATOM 0 HD12 ILE A 109 2.030 -2.763 -6.664 1.00 0.00 H new ATOM 0 HD13 ILE A 109 0.433 -2.419 -7.368 1.00 0.00 H new ATOM 1649 N LYS A 110 1.873 -8.198 -8.075 1.00 0.00 N ATOM 1650 CA LYS A 110 2.017 -9.361 -8.957 1.00 0.00 C ATOM 1651 C LYS A 110 1.373 -10.587 -8.310 1.00 0.00 C ATOM 1652 O LYS A 110 0.610 -11.289 -8.970 1.00 0.00 O ATOM 1653 CB LYS A 110 3.499 -9.673 -9.235 1.00 0.00 C ATOM 1654 CG LYS A 110 4.249 -8.686 -10.147 1.00 0.00 C ATOM 1655 CD LYS A 110 5.748 -9.024 -10.094 1.00 0.00 C ATOM 1656 CE LYS A 110 6.620 -7.991 -10.814 1.00 0.00 C ATOM 1657 NZ LYS A 110 8.063 -8.283 -10.637 1.00 0.00 N ATOM 0 H LYS A 110 2.757 -7.749 -7.837 1.00 0.00 H new ATOM 0 HA LYS A 110 1.523 -9.125 -9.899 1.00 0.00 H new ATOM 0 HB2 LYS A 110 4.023 -9.721 -8.280 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.561 -10.665 -9.682 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.879 -8.758 -11.170 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.079 -7.661 -9.818 1.00 0.00 H new ATOM 0 HD2 LYS A 110 6.062 -9.094 -9.053 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.910 -10.004 -10.543 1.00 0.00 H new ATOM 0 HE2 LYS A 110 6.376 -7.984 -11.876 1.00 0.00 H new ATOM 0 HE3 LYS A 110 6.399 -6.995 -10.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 8.626 -7.512 -11.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 8.279 -8.366 -9.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 8.298 -9.176 -11.115 1.00 0.00 H new ATOM 1786 N VAL A 118 3.682 -6.334 -13.324 1.00 0.00 N ATOM 1787 CA VAL A 118 3.831 -5.015 -12.729 1.00 0.00 C ATOM 1788 C VAL A 118 5.321 -4.676 -12.708 1.00 0.00 C ATOM 1789 O VAL A 118 6.148 -5.572 -12.520 1.00 0.00 O ATOM 1790 CB VAL A 118 3.228 -4.992 -11.301 1.00 0.00 C ATOM 1791 CG1 VAL A 118 2.845 -3.568 -10.876 1.00 0.00 C ATOM 1792 CG2 VAL A 118 1.972 -5.864 -11.115 1.00 0.00 C ATOM 0 HA VAL A 118 3.293 -4.269 -13.314 1.00 0.00 H new ATOM 0 HB VAL A 118 4.027 -5.402 -10.683 1.00 0.00 H new ATOM 0 HG11 VAL A 118 2.426 -3.589 -9.870 1.00 0.00 H new ATOM 0 HG12 VAL A 118 3.732 -2.934 -10.886 1.00 0.00 H new ATOM 0 HG13 VAL A 118 2.105 -3.168 -11.569 1.00 0.00 H new ATOM 0 HG21 VAL A 118 1.623 -5.784 -10.086 1.00 0.00 H new ATOM 0 HG22 VAL A 118 1.189 -5.523 -11.792 1.00 0.00 H new ATOM 0 HG23 VAL A 118 2.215 -6.903 -11.336 1.00 0.00 H new ATOM 1802 N THR A 119 5.668 -3.403 -12.865 1.00 0.00 N ATOM 1803 CA THR A 119 7.040 -2.912 -12.887 1.00 0.00 C ATOM 1804 C THR A 119 7.134 -1.639 -12.042 1.00 0.00 C ATOM 1805 O THR A 119 6.115 -1.060 -11.651 1.00 0.00 O ATOM 1806 CB THR A 119 7.479 -2.686 -14.350 1.00 0.00 C ATOM 1807 OG1 THR A 119 6.504 -1.938 -15.058 1.00 0.00 O ATOM 1808 CG2 THR A 119 7.718 -4.022 -15.056 1.00 0.00 C ATOM 0 H THR A 119 4.979 -2.661 -12.984 1.00 0.00 H new ATOM 0 HA THR A 119 7.720 -3.644 -12.452 1.00 0.00 H new ATOM 0 HB THR A 119 8.412 -2.123 -14.335 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.608 -0.986 -14.850 1.00 0.00 H new ATOM 0 HG21 THR A 119 8.026 -3.839 -16.085 1.00 0.00 H new ATOM 0 HG22 THR A 119 8.500 -4.574 -14.535 1.00 0.00 H new ATOM 0 HG23 THR A 119 6.798 -4.606 -15.051 1.00 0.00 H new ATOM 1816 N TRP A 120 8.355 -1.188 -11.751 1.00 0.00 N ATOM 1817 CA TRP A 120 8.577 0.092 -11.093 1.00 0.00 C ATOM 1818 C TRP A 120 9.863 0.729 -11.597 1.00 0.00 C ATOM 1819 O TRP A 120 10.726 0.053 -12.167 1.00 0.00 O ATOM 1820 CB TRP A 120 8.610 -0.053 -9.560 1.00 0.00 C ATOM 1821 CG TRP A 120 9.799 -0.743 -8.965 1.00 0.00 C ATOM 1822 CD1 TRP A 120 9.977 -2.079 -8.904 1.00 0.00 C ATOM 1823 CD2 TRP A 120 10.979 -0.153 -8.329 1.00 0.00 C ATOM 1824 NE1 TRP A 120 11.171 -2.366 -8.281 1.00 0.00 N ATOM 1825 CE2 TRP A 120 11.827 -1.218 -7.893 1.00 0.00 C ATOM 1826 CE3 TRP A 120 11.422 1.167 -8.065 1.00 0.00 C ATOM 1827 CZ2 TRP A 120 13.042 -0.991 -7.229 1.00 0.00 C ATOM 1828 CZ3 TRP A 120 12.641 1.400 -7.399 1.00 0.00 C ATOM 1829 CH2 TRP A 120 13.449 0.328 -6.979 1.00 0.00 C ATOM 0 H TRP A 120 9.211 -1.700 -11.965 1.00 0.00 H new ATOM 0 HA TRP A 120 7.739 0.743 -11.342 1.00 0.00 H new ATOM 0 HB2 TRP A 120 8.545 0.944 -9.124 1.00 0.00 H new ATOM 0 HB3 TRP A 120 7.716 -0.595 -9.252 1.00 0.00 H new ATOM 0 HD1 TRP A 120 9.285 -2.815 -9.287 1.00 0.00 H new ATOM 0 HE1 TRP A 120 11.525 -3.310 -8.126 1.00 0.00 H new ATOM 0 HE3 TRP A 120 10.817 2.005 -8.379 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 13.656 -1.822 -6.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 12.959 2.414 -7.208 1.00 0.00 H new ATOM 0 HH2 TRP A 120 14.380 0.520 -6.466 1.00 0.00 H new