USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=25 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= 0.969 K(o=2.2,f=-5!) USER MOD Set 1.2: A 119 THR OG1 : rot 85:sc= 1.28 USER MOD Set 2.1: A 22 TYR OH : rot 113:sc= -0.349 USER MOD Set 2.2: A 102 HIS : no HE2:sc= -0.863 X(o=-1.1,f=-1.2!) USER MOD Set 2.3: A 105 SER OG : rot -157:sc= 0.127 USER MOD Set 3.1: A 64 MET CE :methyl -154:sc=-0.00961 (180deg=-0.211) USER MOD Set 3.2: A 67 GLN : amide:sc= 1.12 K(o=1.1,f=-0.75) USER MOD Set 4.1: A 28 HIS : no HD1:sc= 1 K(o=2.3,f=-4.7!) USER MOD Set 4.2: A 40 SER OG : rot -113:sc= 1.29 USER MOD Single : A 21 LYS NZ :NH3+ 175:sc= 1.22 (180deg=1.13) USER MOD Single : A 29 SER OG : rot 125:sc= 0.744 USER MOD Single : A 41 LYS NZ :NH3+ 142:sc= 2.38 (180deg=0.986) USER MOD Single : A 47 TYR OH : rot 166:sc= 1.06 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.995 X(o=-1,f=-1.5) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -152:sc= 0.225 (180deg=0.0324) USER MOD Single : A 61 SER OG : rot 161:sc= 0.176 USER MOD Single : A 65 GLN : amide:sc= 0.639 K(o=0.64,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 150:sc= -0.109 USER MOD Single : A 71 CYS SG : rot -130:sc= -1.38 USER MOD Single : A 73 CYS SG : rot 143:sc= 0.209 USER MOD Single : A 91 TYR OH : rot 30:sc= 0.0316 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 110:sc= 0.223 USER MOD Single : A 95 MET CE :methyl 174:sc= 0 (180deg=-0.0328) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.0841 X(o=-0.084,f=-0.084) USER MOD Single : A 106 THR OG1 : rot -141:sc= 0.185 USER MOD Single : A 108 LYS NZ :NH3+ 148:sc= 0.614! (180deg=-0.036) USER MOD Single : A 110 LYS NZ :NH3+ -169:sc= 1.31 (180deg=1.15) USER MOD ----------------------------------------------------------------- ATOM 46 N ALA A 4 -7.125 -7.888 16.344 1.00 0.00 N ATOM 47 CA ALA A 4 -6.932 -8.535 15.057 1.00 0.00 C ATOM 48 C ALA A 4 -5.579 -9.257 15.090 1.00 0.00 C ATOM 49 O ALA A 4 -4.896 -9.266 16.117 1.00 0.00 O ATOM 50 CB ALA A 4 -6.966 -7.468 13.951 1.00 0.00 C ATOM 0 HA ALA A 4 -7.720 -9.260 14.854 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -6.822 -7.944 12.981 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -7.930 -6.959 13.966 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -6.170 -6.743 14.121 1.00 0.00 H new ATOM 56 N ASP A 5 -5.171 -9.815 13.955 1.00 0.00 N ATOM 57 CA ASP A 5 -3.846 -10.377 13.723 1.00 0.00 C ATOM 58 C ASP A 5 -3.440 -9.963 12.313 1.00 0.00 C ATOM 59 O ASP A 5 -4.308 -9.797 11.451 1.00 0.00 O ATOM 60 CB ASP A 5 -3.879 -11.905 13.856 1.00 0.00 C ATOM 61 CG ASP A 5 -2.504 -12.510 13.533 1.00 0.00 C ATOM 62 OD1 ASP A 5 -1.680 -12.660 14.461 1.00 0.00 O ATOM 63 OD2 ASP A 5 -2.243 -12.814 12.349 1.00 0.00 O ATOM 0 H ASP A 5 -5.779 -9.891 13.139 1.00 0.00 H new ATOM 0 HA ASP A 5 -3.128 -10.011 14.457 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -4.174 -12.180 14.869 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -4.630 -12.317 13.182 1.00 0.00 H new ATOM 68 N LEU A 6 -2.140 -9.779 12.071 1.00 0.00 N ATOM 69 CA LEU A 6 -1.616 -9.279 10.806 1.00 0.00 C ATOM 70 C LEU A 6 -2.087 -10.111 9.612 1.00 0.00 C ATOM 71 O LEU A 6 -2.322 -9.544 8.544 1.00 0.00 O ATOM 72 CB LEU A 6 -0.079 -9.236 10.855 1.00 0.00 C ATOM 73 CG LEU A 6 0.527 -8.251 11.876 1.00 0.00 C ATOM 74 CD1 LEU A 6 2.053 -8.295 11.784 1.00 0.00 C ATOM 75 CD2 LEU A 6 0.063 -6.809 11.654 1.00 0.00 C ATOM 0 H LEU A 6 -1.415 -9.977 12.760 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.005 -8.271 10.666 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.288 -10.237 11.081 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.291 -8.977 9.863 1.00 0.00 H new ATOM 0 HG LEU A 6 0.184 -8.563 12.862 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.481 -7.599 12.505 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.402 -9.304 12.002 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.365 -8.013 10.778 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.521 -6.160 12.401 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.359 -6.481 10.658 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.022 -6.758 11.745 1.00 0.00 H new ATOM 87 N ALA A 7 -2.269 -11.427 9.768 1.00 0.00 N ATOM 88 CA ALA A 7 -2.719 -12.298 8.691 1.00 0.00 C ATOM 89 C ALA A 7 -4.136 -11.955 8.209 1.00 0.00 C ATOM 90 O ALA A 7 -4.477 -12.259 7.065 1.00 0.00 O ATOM 91 CB ALA A 7 -2.658 -13.760 9.148 1.00 0.00 C ATOM 0 H ALA A 7 -2.106 -11.914 10.650 1.00 0.00 H new ATOM 0 HA ALA A 7 -2.048 -12.143 7.846 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.995 -14.408 8.339 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.632 -14.016 9.414 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.303 -13.897 10.016 1.00 0.00 H new ATOM 97 N LEU A 8 -4.966 -11.342 9.062 1.00 0.00 N ATOM 98 CA LEU A 8 -6.352 -11.012 8.733 1.00 0.00 C ATOM 99 C LEU A 8 -6.434 -9.762 7.854 1.00 0.00 C ATOM 100 O LEU A 8 -7.420 -9.591 7.136 1.00 0.00 O ATOM 101 CB LEU A 8 -7.179 -10.776 10.012 1.00 0.00 C ATOM 102 CG LEU A 8 -7.204 -11.946 11.015 1.00 0.00 C ATOM 103 CD1 LEU A 8 -8.062 -11.566 12.227 1.00 0.00 C ATOM 104 CD2 LEU A 8 -7.746 -13.242 10.399 1.00 0.00 C ATOM 0 H LEU A 8 -4.691 -11.061 10.003 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.760 -11.861 8.185 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.787 -9.895 10.519 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -8.205 -10.547 9.723 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.173 -12.132 11.316 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.079 -12.394 12.935 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.640 -10.684 12.710 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -9.079 -11.348 11.899 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.741 -14.032 11.150 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.766 -13.080 10.050 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.117 -13.536 9.559 1.00 0.00 H new ATOM 116 N ILE A 9 -5.438 -8.871 7.927 1.00 0.00 N ATOM 117 CA ILE A 9 -5.471 -7.585 7.233 1.00 0.00 C ATOM 118 C ILE A 9 -5.346 -7.855 5.724 1.00 0.00 C ATOM 119 O ILE A 9 -4.414 -8.570 5.338 1.00 0.00 O ATOM 120 CB ILE A 9 -4.335 -6.648 7.721 1.00 0.00 C ATOM 121 CG1 ILE A 9 -4.233 -6.615 9.265 1.00 0.00 C ATOM 122 CG2 ILE A 9 -4.552 -5.232 7.154 1.00 0.00 C ATOM 123 CD1 ILE A 9 -3.125 -5.713 9.815 1.00 0.00 C ATOM 0 H ILE A 9 -4.588 -9.024 8.470 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.411 -7.077 7.449 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.388 -7.042 7.352 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.188 -6.283 9.671 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.069 -7.630 9.626 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.753 -4.576 7.498 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.545 -5.271 6.065 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.512 -4.846 7.497 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.130 -5.754 10.904 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.159 -6.055 9.443 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.296 -4.687 9.489 1.00 0.00 H new ATOM 135 N PRO A 10 -6.215 -7.285 4.866 1.00 0.00 N ATOM 136 CA PRO A 10 -6.031 -7.311 3.420 1.00 0.00 C ATOM 137 C PRO A 10 -4.623 -6.837 3.067 1.00 0.00 C ATOM 138 O PRO A 10 -4.200 -5.770 3.520 1.00 0.00 O ATOM 139 CB PRO A 10 -7.101 -6.374 2.849 1.00 0.00 C ATOM 140 CG PRO A 10 -8.206 -6.417 3.900 1.00 0.00 C ATOM 141 CD PRO A 10 -7.427 -6.553 5.206 1.00 0.00 C ATOM 0 HA PRO A 10 -6.135 -8.314 3.006 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.717 -5.363 2.710 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -7.457 -6.716 1.877 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.814 -5.513 3.884 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.881 -7.258 3.743 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.190 -5.575 5.624 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.010 -7.087 5.956 1.00 0.00 H new ATOM 149 N ASP A 11 -3.879 -7.611 2.282 1.00 0.00 N ATOM 150 CA ASP A 11 -2.461 -7.333 2.036 1.00 0.00 C ATOM 151 C ASP A 11 -2.278 -6.280 0.939 1.00 0.00 C ATOM 152 O ASP A 11 -1.430 -5.393 1.043 1.00 0.00 O ATOM 153 CB ASP A 11 -1.759 -8.638 1.664 1.00 0.00 C ATOM 154 CG ASP A 11 -0.243 -8.506 1.763 1.00 0.00 C ATOM 155 OD1 ASP A 11 0.260 -8.081 2.822 1.00 0.00 O ATOM 156 OD2 ASP A 11 0.465 -8.917 0.820 1.00 0.00 O ATOM 0 H ASP A 11 -4.233 -8.439 1.803 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.016 -6.925 2.943 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.099 -9.436 2.324 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.035 -8.924 0.649 1.00 0.00 H new ATOM 161 N VAL A 12 -3.175 -6.290 -0.049 1.00 0.00 N ATOM 162 CA VAL A 12 -3.299 -5.290 -1.102 1.00 0.00 C ATOM 163 C VAL A 12 -4.797 -4.981 -1.182 1.00 0.00 C ATOM 164 O VAL A 12 -5.616 -5.903 -1.202 1.00 0.00 O ATOM 165 CB VAL A 12 -2.734 -5.831 -2.439 1.00 0.00 C ATOM 166 CG1 VAL A 12 -2.803 -4.774 -3.553 1.00 0.00 C ATOM 167 CG2 VAL A 12 -1.273 -6.289 -2.311 1.00 0.00 C ATOM 0 H VAL A 12 -3.867 -7.034 -0.137 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.726 -4.386 -0.893 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.360 -6.686 -2.696 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.398 -5.190 -4.475 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.841 -4.481 -3.712 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.220 -3.900 -3.262 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.922 -6.660 -3.274 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.654 -5.448 -1.999 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.205 -7.085 -1.569 1.00 0.00 H new ATOM 177 N ASP A 13 -5.160 -3.698 -1.197 1.00 0.00 N ATOM 178 CA ASP A 13 -6.533 -3.241 -1.394 1.00 0.00 C ATOM 179 C ASP A 13 -6.444 -1.852 -2.006 1.00 0.00 C ATOM 180 O ASP A 13 -5.710 -1.006 -1.486 1.00 0.00 O ATOM 181 CB ASP A 13 -7.310 -3.182 -0.073 1.00 0.00 C ATOM 182 CG ASP A 13 -8.754 -2.719 -0.320 1.00 0.00 C ATOM 183 OD1 ASP A 13 -9.480 -3.378 -1.097 1.00 0.00 O ATOM 184 OD2 ASP A 13 -9.171 -1.703 0.277 1.00 0.00 O ATOM 0 H ASP A 13 -4.495 -2.935 -1.070 1.00 0.00 H new ATOM 0 HA ASP A 13 -7.069 -3.937 -2.040 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.312 -4.165 0.399 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.815 -2.498 0.617 1.00 0.00 H new ATOM 189 N ILE A 14 -7.122 -1.642 -3.134 1.00 0.00 N ATOM 190 CA ILE A 14 -6.980 -0.452 -3.963 1.00 0.00 C ATOM 191 C ILE A 14 -8.313 -0.115 -4.646 1.00 0.00 C ATOM 192 O ILE A 14 -9.222 -0.950 -4.689 1.00 0.00 O ATOM 193 CB ILE A 14 -5.850 -0.646 -5.017 1.00 0.00 C ATOM 194 CG1 ILE A 14 -6.087 -1.886 -5.914 1.00 0.00 C ATOM 195 CG2 ILE A 14 -4.455 -0.697 -4.362 1.00 0.00 C ATOM 196 CD1 ILE A 14 -5.098 -2.012 -7.079 1.00 0.00 C ATOM 0 H ILE A 14 -7.799 -2.310 -3.502 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.702 0.385 -3.322 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.882 0.231 -5.663 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.024 -2.784 -5.299 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.100 -1.844 -6.314 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.696 -0.833 -5.132 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.269 0.236 -3.830 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.413 -1.530 -3.660 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.331 -2.905 -7.659 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -5.176 -1.133 -7.719 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.083 -2.088 -6.688 1.00 0.00 H new ATOM 266 N PHE A 20 -3.242 6.900 -10.024 1.00 0.00 N ATOM 267 CA PHE A 20 -3.768 7.168 -8.682 1.00 0.00 C ATOM 268 C PHE A 20 -2.689 6.923 -7.629 1.00 0.00 C ATOM 269 O PHE A 20 -1.810 6.079 -7.817 1.00 0.00 O ATOM 270 CB PHE A 20 -5.006 6.297 -8.398 1.00 0.00 C ATOM 271 CG PHE A 20 -4.757 4.794 -8.382 1.00 0.00 C ATOM 272 CD1 PHE A 20 -4.554 4.088 -9.586 1.00 0.00 C ATOM 273 CD2 PHE A 20 -4.714 4.099 -7.158 1.00 0.00 C ATOM 274 CE1 PHE A 20 -4.304 2.704 -9.565 1.00 0.00 C ATOM 275 CE2 PHE A 20 -4.473 2.714 -7.138 1.00 0.00 C ATOM 276 CZ PHE A 20 -4.271 2.016 -8.340 1.00 0.00 C ATOM 0 HA PHE A 20 -4.069 8.215 -8.634 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.422 6.590 -7.434 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.763 6.515 -9.151 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.591 4.613 -10.529 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.867 4.632 -6.231 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.138 2.171 -10.489 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.443 2.186 -6.196 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.090 0.951 -8.323 1.00 0.00 H new ATOM 286 N LYS A 21 -2.732 7.681 -6.528 1.00 0.00 N ATOM 287 CA LYS A 21 -1.727 7.608 -5.476 1.00 0.00 C ATOM 288 C LYS A 21 -1.884 6.318 -4.677 1.00 0.00 C ATOM 289 O LYS A 21 -2.984 5.765 -4.581 1.00 0.00 O ATOM 290 CB LYS A 21 -1.853 8.814 -4.528 1.00 0.00 C ATOM 291 CG LYS A 21 -1.902 10.206 -5.186 1.00 0.00 C ATOM 292 CD LYS A 21 -0.702 10.507 -6.100 1.00 0.00 C ATOM 293 CE LYS A 21 -0.819 11.859 -6.825 1.00 0.00 C ATOM 294 NZ LYS A 21 -0.803 13.030 -5.912 1.00 0.00 N ATOM 0 H LYS A 21 -3.469 8.362 -6.346 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.743 7.621 -5.946 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.757 8.686 -3.933 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.011 8.793 -3.837 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.820 10.289 -5.768 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.950 10.965 -4.405 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.211 10.499 -5.505 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.608 9.712 -6.840 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.002 11.952 -7.535 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.743 11.873 -7.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.800 13.907 -6.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.648 13.009 -5.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.050 12.996 -5.318 1.00 0.00 H new ATOM 308 N TYR A 22 -0.800 5.881 -4.043 1.00 0.00 N ATOM 309 CA TYR A 22 -0.786 4.769 -3.111 1.00 0.00 C ATOM 310 C TYR A 22 0.287 5.049 -2.039 1.00 0.00 C ATOM 311 O TYR A 22 1.155 5.906 -2.228 1.00 0.00 O ATOM 312 CB TYR A 22 -0.571 3.451 -3.891 1.00 0.00 C ATOM 313 CG TYR A 22 0.829 2.910 -3.776 1.00 0.00 C ATOM 314 CD1 TYR A 22 1.867 3.480 -4.530 1.00 0.00 C ATOM 315 CD2 TYR A 22 1.109 1.967 -2.774 1.00 0.00 C ATOM 316 CE1 TYR A 22 3.199 3.160 -4.230 1.00 0.00 C ATOM 317 CE2 TYR A 22 2.435 1.652 -2.459 1.00 0.00 C ATOM 318 CZ TYR A 22 3.483 2.270 -3.172 1.00 0.00 C ATOM 319 OH TYR A 22 4.771 2.034 -2.817 1.00 0.00 O ATOM 0 H TYR A 22 0.118 6.307 -4.171 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.737 4.659 -2.590 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.273 2.702 -3.525 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.803 3.618 -4.943 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.641 4.161 -5.337 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.300 1.484 -2.246 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.004 3.593 -4.806 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.654 0.941 -1.676 1.00 0.00 H new ATOM 0 HH TYR A 22 4.935 2.397 -1.922 1.00 0.00 H new ATOM 329 N VAL A 23 0.256 4.316 -0.926 1.00 0.00 N ATOM 330 CA VAL A 23 1.275 4.348 0.120 1.00 0.00 C ATOM 331 C VAL A 23 1.630 2.915 0.511 1.00 0.00 C ATOM 332 O VAL A 23 0.809 1.995 0.404 1.00 0.00 O ATOM 333 CB VAL A 23 0.819 5.174 1.344 1.00 0.00 C ATOM 334 CG1 VAL A 23 0.784 6.675 1.035 1.00 0.00 C ATOM 335 CG2 VAL A 23 -0.540 4.719 1.900 1.00 0.00 C ATOM 0 H VAL A 23 -0.502 3.665 -0.723 1.00 0.00 H new ATOM 0 HA VAL A 23 2.164 4.846 -0.268 1.00 0.00 H new ATOM 0 HB VAL A 23 1.567 4.992 2.116 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.459 7.221 1.920 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.780 7.011 0.747 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.088 6.862 0.217 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.807 5.336 2.758 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.302 4.822 1.128 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.476 3.676 2.209 1.00 0.00 H new ATOM 345 N LEU A 24 2.860 2.746 0.995 1.00 0.00 N ATOM 346 CA LEU A 24 3.399 1.475 1.448 1.00 0.00 C ATOM 347 C LEU A 24 3.462 1.610 2.959 1.00 0.00 C ATOM 348 O LEU A 24 4.191 2.475 3.446 1.00 0.00 O ATOM 349 CB LEU A 24 4.799 1.284 0.830 1.00 0.00 C ATOM 350 CG LEU A 24 5.352 -0.152 0.806 1.00 0.00 C ATOM 351 CD1 LEU A 24 5.428 -0.796 2.190 1.00 0.00 C ATOM 352 CD2 LEU A 24 4.526 -1.034 -0.133 1.00 0.00 C ATOM 0 H LEU A 24 3.524 3.515 1.083 1.00 0.00 H new ATOM 0 HA LEU A 24 2.803 0.610 1.157 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.773 1.656 -0.194 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.502 1.911 1.379 1.00 0.00 H new ATOM 0 HG LEU A 24 6.374 -0.074 0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.826 -1.807 2.100 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.081 -0.204 2.831 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.431 -0.837 2.628 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.934 -2.045 -0.135 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.491 -1.061 0.209 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.564 -0.625 -1.143 1.00 0.00 H new ATOM 364 N ILE A 25 2.686 0.824 3.703 1.00 0.00 N ATOM 365 CA ILE A 25 2.524 1.019 5.140 1.00 0.00 C ATOM 366 C ILE A 25 3.012 -0.240 5.839 1.00 0.00 C ATOM 367 O ILE A 25 2.490 -1.335 5.624 1.00 0.00 O ATOM 368 CB ILE A 25 1.071 1.435 5.482 1.00 0.00 C ATOM 369 CG1 ILE A 25 0.854 2.903 5.042 1.00 0.00 C ATOM 370 CG2 ILE A 25 0.767 1.289 6.986 1.00 0.00 C ATOM 371 CD1 ILE A 25 -0.578 3.424 5.213 1.00 0.00 C ATOM 0 H ILE A 25 2.155 0.038 3.328 1.00 0.00 H new ATOM 0 HA ILE A 25 3.129 1.849 5.504 1.00 0.00 H new ATOM 0 HB ILE A 25 0.391 0.772 4.948 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.528 3.541 5.613 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.137 2.998 3.994 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.262 1.591 7.180 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.902 0.250 7.285 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.445 1.923 7.557 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.631 4.460 4.878 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.260 2.816 4.619 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.863 3.367 6.264 1.00 0.00 H new ATOM 383 N ARG A 26 4.050 -0.077 6.656 1.00 0.00 N ATOM 384 CA ARG A 26 4.503 -1.103 7.574 1.00 0.00 C ATOM 385 C ARG A 26 3.488 -1.163 8.710 1.00 0.00 C ATOM 386 O ARG A 26 2.940 -0.129 9.092 1.00 0.00 O ATOM 387 CB ARG A 26 5.911 -0.747 8.073 1.00 0.00 C ATOM 388 CG ARG A 26 6.509 -1.860 8.949 1.00 0.00 C ATOM 389 CD ARG A 26 8.042 -1.867 8.961 1.00 0.00 C ATOM 390 NE ARG A 26 8.639 -0.603 9.433 1.00 0.00 N ATOM 391 CZ ARG A 26 9.953 -0.390 9.589 1.00 0.00 C ATOM 392 NH1 ARG A 26 10.830 -1.373 9.389 1.00 0.00 N ATOM 393 NH2 ARG A 26 10.390 0.811 9.943 1.00 0.00 N ATOM 0 H ARG A 26 4.601 0.781 6.695 1.00 0.00 H new ATOM 0 HA ARG A 26 4.570 -2.082 7.099 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.564 -0.567 7.219 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.870 0.181 8.643 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.145 -1.744 9.970 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.151 -2.826 8.591 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.387 -2.681 9.598 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.403 -2.075 7.954 1.00 0.00 H new ATOM 0 HE ARG A 26 8.006 0.165 9.657 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.504 -2.299 9.114 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.828 -1.199 9.511 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.727 1.570 10.096 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.390 0.975 10.062 1.00 0.00 H new ATOM 407 N VAL A 27 3.282 -2.350 9.260 1.00 0.00 N ATOM 408 CA VAL A 27 2.320 -2.680 10.296 1.00 0.00 C ATOM 409 C VAL A 27 3.080 -3.556 11.297 1.00 0.00 C ATOM 410 O VAL A 27 3.974 -4.306 10.894 1.00 0.00 O ATOM 411 CB VAL A 27 1.129 -3.464 9.684 1.00 0.00 C ATOM 412 CG1 VAL A 27 -0.073 -3.493 10.637 1.00 0.00 C ATOM 413 CG2 VAL A 27 0.635 -2.955 8.318 1.00 0.00 C ATOM 0 H VAL A 27 3.823 -3.165 8.972 1.00 0.00 H new ATOM 0 HA VAL A 27 1.910 -1.789 10.772 1.00 0.00 H new ATOM 0 HB VAL A 27 1.540 -4.461 9.528 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.889 -4.050 10.177 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.215 -3.976 11.571 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.400 -2.473 10.842 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.198 -3.571 7.980 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.306 -1.920 8.413 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.447 -3.013 7.593 1.00 0.00 H new ATOM 423 N HIS A 28 2.705 -3.517 12.573 1.00 0.00 N ATOM 424 CA HIS A 28 3.274 -4.347 13.633 1.00 0.00 C ATOM 425 C HIS A 28 2.122 -4.965 14.428 1.00 0.00 C ATOM 426 O HIS A 28 1.042 -4.365 14.488 1.00 0.00 O ATOM 427 CB HIS A 28 4.148 -3.478 14.550 1.00 0.00 C ATOM 428 CG HIS A 28 5.205 -2.687 13.816 1.00 0.00 C ATOM 429 ND1 HIS A 28 6.352 -3.189 13.248 1.00 0.00 N ATOM 430 CD2 HIS A 28 5.183 -1.342 13.552 1.00 0.00 C ATOM 431 CE1 HIS A 28 7.012 -2.173 12.670 1.00 0.00 C ATOM 432 NE2 HIS A 28 6.338 -1.018 12.827 1.00 0.00 N ATOM 0 H HIS A 28 1.975 -2.888 12.909 1.00 0.00 H new ATOM 0 HA HIS A 28 3.895 -5.137 13.209 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.507 -2.788 15.099 1.00 0.00 H new ATOM 0 HB3 HIS A 28 4.633 -4.118 15.287 1.00 0.00 H new ATOM 0 HD2 HIS A 28 4.409 -0.651 13.851 1.00 0.00 H new ATOM 0 HE1 HIS A 28 7.954 -2.269 12.151 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.612 -0.096 12.488 1.00 0.00 H new ATOM 440 N SER A 29 2.344 -6.122 15.063 1.00 0.00 N ATOM 441 CA SER A 29 1.374 -6.852 15.888 1.00 0.00 C ATOM 442 C SER A 29 1.015 -6.145 17.215 1.00 0.00 C ATOM 443 O SER A 29 0.947 -6.773 18.273 1.00 0.00 O ATOM 444 CB SER A 29 1.888 -8.274 16.154 1.00 0.00 C ATOM 445 OG SER A 29 2.221 -8.954 14.959 1.00 0.00 O ATOM 0 H SER A 29 3.246 -6.596 15.013 1.00 0.00 H new ATOM 0 HA SER A 29 0.446 -6.887 15.317 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.765 -8.227 16.800 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.127 -8.839 16.692 1.00 0.00 H new ATOM 0 HG SER A 29 3.147 -9.271 15.010 1.00 0.00 H new ATOM 451 N ALA A 30 0.767 -4.835 17.184 1.00 0.00 N ATOM 452 CA ALA A 30 0.266 -4.079 18.318 1.00 0.00 C ATOM 453 C ALA A 30 -1.227 -4.279 18.688 1.00 0.00 C ATOM 454 O ALA A 30 -1.592 -3.710 19.717 1.00 0.00 O ATOM 455 CB ALA A 30 0.614 -2.599 18.121 1.00 0.00 C ATOM 0 H ALA A 30 0.914 -4.265 16.351 1.00 0.00 H new ATOM 0 HA ALA A 30 0.774 -4.490 19.191 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.242 -2.022 18.968 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.696 -2.486 18.052 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.152 -2.236 17.203 1.00 0.00 H new ATOM 461 N PRO A 31 -2.120 -5.016 17.976 1.00 0.00 N ATOM 462 CA PRO A 31 -3.451 -5.342 18.506 1.00 0.00 C ATOM 463 C PRO A 31 -3.380 -5.927 19.919 1.00 0.00 C ATOM 464 O PRO A 31 -2.339 -6.444 20.317 1.00 0.00 O ATOM 465 CB PRO A 31 -4.077 -6.330 17.521 1.00 0.00 C ATOM 466 CG PRO A 31 -3.423 -5.938 16.204 1.00 0.00 C ATOM 467 CD PRO A 31 -2.003 -5.602 16.649 1.00 0.00 C ATOM 0 HA PRO A 31 -4.058 -4.441 18.598 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -3.861 -7.364 17.790 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.162 -6.231 17.481 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.443 -6.752 15.479 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.918 -5.086 15.739 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.381 -6.497 16.672 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.533 -4.905 15.956 1.00 0.00 H new ATOM 561 N GLU A 39 5.120 -9.809 15.430 1.00 0.00 N ATOM 562 CA GLU A 39 5.558 -9.798 14.040 1.00 0.00 C ATOM 563 C GLU A 39 5.329 -8.399 13.436 1.00 0.00 C ATOM 564 O GLU A 39 4.821 -7.483 14.098 1.00 0.00 O ATOM 565 CB GLU A 39 4.798 -10.894 13.261 1.00 0.00 C ATOM 566 CG GLU A 39 5.198 -12.328 13.647 1.00 0.00 C ATOM 567 CD GLU A 39 6.618 -12.697 13.176 1.00 0.00 C ATOM 568 OE1 GLU A 39 6.782 -13.123 12.010 1.00 0.00 O ATOM 569 OE2 GLU A 39 7.583 -12.589 13.965 1.00 0.00 O ATOM 0 HA GLU A 39 6.624 -10.014 13.975 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.728 -10.769 13.428 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.972 -10.754 12.194 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.139 -12.438 14.730 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.483 -13.029 13.216 1.00 0.00 H new ATOM 576 N SER A 40 5.687 -8.251 12.158 1.00 0.00 N ATOM 577 CA SER A 40 5.457 -7.059 11.352 1.00 0.00 C ATOM 578 C SER A 40 5.081 -7.486 9.925 1.00 0.00 C ATOM 579 O SER A 40 5.316 -8.632 9.528 1.00 0.00 O ATOM 580 CB SER A 40 6.701 -6.161 11.348 1.00 0.00 C ATOM 581 OG SER A 40 7.183 -5.884 12.656 1.00 0.00 O ATOM 0 H SER A 40 6.163 -8.990 11.640 1.00 0.00 H new ATOM 0 HA SER A 40 4.638 -6.481 11.780 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.489 -6.642 10.769 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.465 -5.223 10.846 1.00 0.00 H new ATOM 0 HG SER A 40 7.057 -4.933 12.857 1.00 0.00 H new ATOM 587 N LYS A 41 4.470 -6.576 9.167 1.00 0.00 N ATOM 588 CA LYS A 41 3.893 -6.802 7.839 1.00 0.00 C ATOM 589 C LYS A 41 4.002 -5.496 7.055 1.00 0.00 C ATOM 590 O LYS A 41 4.142 -4.436 7.660 1.00 0.00 O ATOM 591 CB LYS A 41 2.433 -7.262 8.042 1.00 0.00 C ATOM 592 CG LYS A 41 1.522 -7.230 6.805 1.00 0.00 C ATOM 593 CD LYS A 41 0.193 -7.926 7.106 1.00 0.00 C ATOM 594 CE LYS A 41 -0.760 -7.860 5.907 1.00 0.00 C ATOM 595 NZ LYS A 41 -1.702 -9.007 5.878 1.00 0.00 N ATOM 0 H LYS A 41 4.358 -5.611 9.477 1.00 0.00 H new ATOM 0 HA LYS A 41 4.414 -7.573 7.271 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.448 -8.281 8.428 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.983 -6.636 8.813 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.340 -6.198 6.506 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.017 -7.722 5.968 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.378 -8.968 7.368 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.276 -7.458 7.971 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.325 -6.929 5.944 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.180 -7.844 4.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.636 -8.681 5.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.344 -9.733 5.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.787 -9.411 6.833 1.00 0.00 H new ATOM 609 N GLU A 42 3.882 -5.540 5.729 1.00 0.00 N ATOM 610 CA GLU A 42 3.814 -4.351 4.889 1.00 0.00 C ATOM 611 C GLU A 42 2.613 -4.507 3.957 1.00 0.00 C ATOM 612 O GLU A 42 2.566 -5.458 3.173 1.00 0.00 O ATOM 613 CB GLU A 42 5.108 -4.158 4.081 1.00 0.00 C ATOM 614 CG GLU A 42 6.359 -3.829 4.916 1.00 0.00 C ATOM 615 CD GLU A 42 7.002 -5.049 5.610 1.00 0.00 C ATOM 616 OE1 GLU A 42 7.224 -6.093 4.956 1.00 0.00 O ATOM 617 OE2 GLU A 42 7.351 -4.951 6.807 1.00 0.00 O ATOM 0 H GLU A 42 3.829 -6.413 5.204 1.00 0.00 H new ATOM 0 HA GLU A 42 3.700 -3.465 5.514 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.300 -5.067 3.511 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.951 -3.356 3.360 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.101 -3.362 4.268 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.091 -3.094 5.675 1.00 0.00 H new ATOM 624 N ILE A 43 1.655 -3.584 4.047 1.00 0.00 N ATOM 625 CA ILE A 43 0.448 -3.542 3.225 1.00 0.00 C ATOM 626 C ILE A 43 0.553 -2.441 2.164 1.00 0.00 C ATOM 627 O ILE A 43 1.309 -1.475 2.312 1.00 0.00 O ATOM 628 CB ILE A 43 -0.821 -3.365 4.099 1.00 0.00 C ATOM 629 CG1 ILE A 43 -0.831 -2.058 4.929 1.00 0.00 C ATOM 630 CG2 ILE A 43 -1.006 -4.604 4.986 1.00 0.00 C ATOM 631 CD1 ILE A 43 -2.134 -1.796 5.701 1.00 0.00 C ATOM 0 H ILE A 43 1.701 -2.818 4.719 1.00 0.00 H new ATOM 0 HA ILE A 43 0.357 -4.498 2.709 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.670 -3.270 3.423 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.004 -2.088 5.639 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.646 -1.218 4.260 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.897 -4.481 5.601 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.117 -5.488 4.358 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.135 -4.724 5.630 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.048 -0.860 6.252 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.965 -1.729 4.999 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.314 -2.613 6.400 1.00 0.00 H new ATOM 643 N VAL A 44 -0.256 -2.578 1.112 1.00 0.00 N ATOM 644 CA VAL A 44 -0.337 -1.653 -0.013 1.00 0.00 C ATOM 645 C VAL A 44 -1.765 -1.104 -0.020 1.00 0.00 C ATOM 646 O VAL A 44 -2.716 -1.889 -0.126 1.00 0.00 O ATOM 647 CB VAL A 44 -0.006 -2.415 -1.318 1.00 0.00 C ATOM 648 CG1 VAL A 44 -0.026 -1.501 -2.550 1.00 0.00 C ATOM 649 CG2 VAL A 44 1.362 -3.115 -1.276 1.00 0.00 C ATOM 0 H VAL A 44 -0.896 -3.367 1.020 1.00 0.00 H new ATOM 0 HA VAL A 44 0.374 -0.831 0.069 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.792 -3.166 -1.398 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.213 -2.084 -3.440 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.017 -1.060 -2.660 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.712 -0.708 -2.427 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.536 -3.632 -2.220 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.145 -2.374 -1.119 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.376 -3.837 -0.459 1.00 0.00 H new ATOM 659 N ARG A 45 -1.928 0.218 0.101 1.00 0.00 N ATOM 660 CA ARG A 45 -3.218 0.918 0.042 1.00 0.00 C ATOM 661 C ARG A 45 -3.086 2.008 -1.013 1.00 0.00 C ATOM 662 O ARG A 45 -2.047 2.665 -1.056 1.00 0.00 O ATOM 663 CB ARG A 45 -3.547 1.593 1.393 1.00 0.00 C ATOM 664 CG ARG A 45 -3.768 0.684 2.614 1.00 0.00 C ATOM 665 CD ARG A 45 -4.990 -0.232 2.526 1.00 0.00 C ATOM 666 NE ARG A 45 -4.632 -1.490 1.873 1.00 0.00 N ATOM 667 CZ ARG A 45 -4.545 -2.689 2.446 1.00 0.00 C ATOM 668 NH1 ARG A 45 -5.102 -2.973 3.618 1.00 0.00 N ATOM 669 NH2 ARG A 45 -3.847 -3.619 1.824 1.00 0.00 N ATOM 0 H ARG A 45 -1.142 0.851 0.247 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.010 0.206 -0.191 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.735 2.281 1.630 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.445 2.195 1.257 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.880 0.068 2.754 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.865 1.310 3.501 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.378 -0.430 3.525 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.785 0.263 1.968 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.428 -1.445 0.875 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.625 -2.256 4.121 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -5.006 -3.908 4.015 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.396 -3.408 0.934 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.758 -4.549 2.233 1.00 0.00 H new ATOM 683 N GLY A 46 -4.114 2.258 -1.820 1.00 0.00 N ATOM 684 CA GLY A 46 -4.104 3.366 -2.765 1.00 0.00 C ATOM 685 C GLY A 46 -5.414 3.439 -3.513 1.00 0.00 C ATOM 686 O GLY A 46 -5.895 2.425 -4.015 1.00 0.00 O ATOM 0 H GLY A 46 -4.969 1.702 -1.836 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.929 4.302 -2.234 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.283 3.242 -3.471 1.00 0.00 H new ATOM 690 N TYR A 47 -6.006 4.625 -3.594 1.00 0.00 N ATOM 691 CA TYR A 47 -7.364 4.774 -4.097 1.00 0.00 C ATOM 692 C TYR A 47 -7.479 6.125 -4.778 1.00 0.00 C ATOM 693 O TYR A 47 -6.865 7.092 -4.322 1.00 0.00 O ATOM 694 CB TYR A 47 -8.360 4.712 -2.928 1.00 0.00 C ATOM 695 CG TYR A 47 -8.195 3.551 -1.958 1.00 0.00 C ATOM 696 CD1 TYR A 47 -7.333 3.689 -0.855 1.00 0.00 C ATOM 697 CD2 TYR A 47 -8.940 2.368 -2.109 1.00 0.00 C ATOM 698 CE1 TYR A 47 -7.232 2.663 0.102 1.00 0.00 C ATOM 699 CE2 TYR A 47 -8.831 1.327 -1.174 1.00 0.00 C ATOM 700 CZ TYR A 47 -7.986 1.477 -0.053 1.00 0.00 C ATOM 701 OH TYR A 47 -7.929 0.508 0.897 1.00 0.00 O ATOM 0 H TYR A 47 -5.563 5.501 -3.316 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.588 3.973 -4.801 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.283 5.642 -2.364 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.368 4.672 -3.340 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.745 4.588 -0.742 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.604 2.259 -2.954 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.579 2.781 0.954 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.392 0.414 -1.312 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.660 -0.130 0.758 1.00 0.00 H new ATOM 711 N LYS A 48 -8.306 6.223 -5.821 1.00 0.00 N ATOM 712 CA LYS A 48 -8.527 7.487 -6.522 1.00 0.00 C ATOM 713 C LYS A 48 -9.035 8.603 -5.600 1.00 0.00 C ATOM 714 O LYS A 48 -8.771 9.771 -5.886 1.00 0.00 O ATOM 715 CB LYS A 48 -9.431 7.277 -7.750 1.00 0.00 C ATOM 716 CG LYS A 48 -10.881 6.871 -7.429 1.00 0.00 C ATOM 717 CD LYS A 48 -11.718 6.786 -8.715 1.00 0.00 C ATOM 718 CE LYS A 48 -13.207 6.525 -8.445 1.00 0.00 C ATOM 719 NZ LYS A 48 -13.501 5.101 -8.155 1.00 0.00 N ATOM 0 H LYS A 48 -8.835 5.437 -6.199 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.557 7.833 -6.879 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.448 8.199 -8.332 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.986 6.509 -8.383 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.890 5.908 -6.919 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.325 7.597 -6.747 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.613 7.717 -9.273 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.324 5.990 -9.347 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.531 7.136 -7.603 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.789 6.842 -9.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.520 4.985 -7.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.220 4.516 -8.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.970 4.801 -7.313 1.00 0.00 H new ATOM 733 N TRP A 49 -9.734 8.278 -4.502 1.00 0.00 N ATOM 734 CA TRP A 49 -10.188 9.288 -3.550 1.00 0.00 C ATOM 735 C TRP A 49 -9.025 9.940 -2.788 1.00 0.00 C ATOM 736 O TRP A 49 -9.144 11.105 -2.403 1.00 0.00 O ATOM 737 CB TRP A 49 -11.281 8.739 -2.614 1.00 0.00 C ATOM 738 CG TRP A 49 -11.100 7.395 -1.959 1.00 0.00 C ATOM 739 CD1 TRP A 49 -11.793 6.278 -2.281 1.00 0.00 C ATOM 740 CD2 TRP A 49 -10.256 7.008 -0.826 1.00 0.00 C ATOM 741 NE1 TRP A 49 -11.454 5.246 -1.430 1.00 0.00 N ATOM 742 CE2 TRP A 49 -10.506 5.636 -0.510 1.00 0.00 C ATOM 743 CE3 TRP A 49 -9.302 7.670 -0.028 1.00 0.00 C ATOM 744 CZ2 TRP A 49 -9.831 4.964 0.523 1.00 0.00 C ATOM 745 CZ3 TRP A 49 -8.577 6.992 0.969 1.00 0.00 C ATOM 746 CH2 TRP A 49 -8.826 5.635 1.239 1.00 0.00 C ATOM 0 H TRP A 49 -9.994 7.323 -4.257 1.00 0.00 H new ATOM 0 HA TRP A 49 -10.648 10.088 -4.130 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -11.426 9.471 -1.819 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -12.209 8.700 -3.185 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.508 6.205 -3.087 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -11.856 4.310 -1.477 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -9.123 8.723 -0.185 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -10.082 3.942 0.764 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -7.822 7.519 1.533 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -8.250 5.114 1.989 1.00 0.00 H new ATOM 757 N ALA A 50 -7.897 9.245 -2.589 1.00 0.00 N ATOM 758 CA ALA A 50 -6.715 9.820 -1.967 1.00 0.00 C ATOM 759 C ALA A 50 -5.883 10.528 -3.036 1.00 0.00 C ATOM 760 O ALA A 50 -4.942 9.963 -3.590 1.00 0.00 O ATOM 761 CB ALA A 50 -5.908 8.761 -1.220 1.00 0.00 C ATOM 0 H ALA A 50 -7.787 8.267 -2.858 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.020 10.553 -1.220 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.031 9.224 -0.767 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.526 8.315 -0.441 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.589 7.987 -1.918 1.00 0.00 H new ATOM 767 N GLU A 51 -6.244 11.772 -3.347 1.00 0.00 N ATOM 768 CA GLU A 51 -5.496 12.603 -4.289 1.00 0.00 C ATOM 769 C GLU A 51 -4.098 12.969 -3.741 1.00 0.00 C ATOM 770 O GLU A 51 -3.214 13.346 -4.512 1.00 0.00 O ATOM 771 CB GLU A 51 -6.351 13.842 -4.613 1.00 0.00 C ATOM 772 CG GLU A 51 -5.773 14.720 -5.732 1.00 0.00 C ATOM 773 CD GLU A 51 -6.758 15.828 -6.146 1.00 0.00 C ATOM 774 OE1 GLU A 51 -6.723 16.934 -5.559 1.00 0.00 O ATOM 775 OE2 GLU A 51 -7.564 15.616 -7.081 1.00 0.00 O ATOM 0 H GLU A 51 -7.064 12.233 -2.953 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.306 12.051 -5.209 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.351 13.517 -4.899 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.458 14.444 -3.711 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.838 15.169 -5.397 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.537 14.100 -6.597 1.00 0.00 H new ATOM 782 N TYR A 52 -3.865 12.821 -2.433 1.00 0.00 N ATOM 783 CA TYR A 52 -2.608 13.112 -1.745 1.00 0.00 C ATOM 784 C TYR A 52 -2.290 11.947 -0.804 1.00 0.00 C ATOM 785 O TYR A 52 -3.202 11.242 -0.356 1.00 0.00 O ATOM 786 CB TYR A 52 -2.655 14.465 -1.014 1.00 0.00 C ATOM 787 CG TYR A 52 -4.006 14.918 -0.494 1.00 0.00 C ATOM 788 CD1 TYR A 52 -4.918 15.505 -1.387 1.00 0.00 C ATOM 789 CD2 TYR A 52 -4.337 14.789 0.867 1.00 0.00 C ATOM 790 CE1 TYR A 52 -6.173 15.949 -0.934 1.00 0.00 C ATOM 791 CE2 TYR A 52 -5.586 15.237 1.333 1.00 0.00 C ATOM 792 CZ TYR A 52 -6.513 15.816 0.434 1.00 0.00 C ATOM 793 OH TYR A 52 -7.721 16.245 0.897 1.00 0.00 O ATOM 0 H TYR A 52 -4.584 12.478 -1.796 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.804 13.207 -2.475 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.965 14.419 -0.171 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.279 15.230 -1.693 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.653 15.616 -2.428 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.632 14.346 1.554 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.875 16.390 -1.627 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.838 15.139 2.379 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.782 16.073 1.860 1.00 0.00 H new ATOM 803 N HIS A 53 -1.008 11.712 -0.512 1.00 0.00 N ATOM 804 CA HIS A 53 -0.576 10.509 0.195 1.00 0.00 C ATOM 805 C HIS A 53 -0.972 10.614 1.661 1.00 0.00 C ATOM 806 O HIS A 53 -1.341 9.609 2.273 1.00 0.00 O ATOM 807 CB HIS A 53 0.940 10.318 0.079 1.00 0.00 C ATOM 808 CG HIS A 53 1.464 10.403 -1.331 1.00 0.00 C ATOM 809 ND1 HIS A 53 1.356 9.410 -2.307 1.00 0.00 N ATOM 810 CD2 HIS A 53 2.165 11.453 -1.843 1.00 0.00 C ATOM 811 CE1 HIS A 53 2.015 9.893 -3.375 1.00 0.00 C ATOM 812 NE2 HIS A 53 2.519 11.108 -3.121 1.00 0.00 N ATOM 0 H HIS A 53 -0.248 12.346 -0.758 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.063 9.646 -0.258 1.00 0.00 H new ATOM 0 HB2 HIS A 53 1.438 11.073 0.687 1.00 0.00 H new ATOM 0 HB3 HIS A 53 1.206 9.347 0.496 1.00 0.00 H new ATOM 0 HD2 HIS A 53 2.397 12.379 -1.339 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.124 9.370 -4.314 1.00 0.00 H new ATOM 0 HE2 HIS A 53 3.069 11.676 -3.765 1.00 0.00 H new ATOM 820 N ALA A 54 -0.962 11.833 2.210 1.00 0.00 N ATOM 821 CA ALA A 54 -1.458 12.088 3.554 1.00 0.00 C ATOM 822 C ALA A 54 -2.903 11.616 3.751 1.00 0.00 C ATOM 823 O ALA A 54 -3.255 11.263 4.875 1.00 0.00 O ATOM 824 CB ALA A 54 -1.332 13.577 3.892 1.00 0.00 C ATOM 0 H ALA A 54 -0.610 12.663 1.733 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.840 11.506 4.238 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.707 13.754 4.900 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.285 13.875 3.836 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.915 14.162 3.180 1.00 0.00 H new ATOM 830 N ASP A 55 -3.737 11.590 2.701 1.00 0.00 N ATOM 831 CA ASP A 55 -5.141 11.206 2.855 1.00 0.00 C ATOM 832 C ASP A 55 -5.253 9.728 3.221 1.00 0.00 C ATOM 833 O ASP A 55 -5.909 9.376 4.204 1.00 0.00 O ATOM 834 CB ASP A 55 -5.947 11.462 1.578 1.00 0.00 C ATOM 835 CG ASP A 55 -7.448 11.401 1.897 1.00 0.00 C ATOM 836 OD1 ASP A 55 -7.976 12.356 2.513 1.00 0.00 O ATOM 837 OD2 ASP A 55 -8.104 10.408 1.526 1.00 0.00 O ATOM 0 H ASP A 55 -3.464 11.828 1.747 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.552 11.822 3.655 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.692 12.438 1.164 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.695 10.719 0.821 1.00 0.00 H new ATOM 842 N ILE A 56 -4.561 8.867 2.461 1.00 0.00 N ATOM 843 CA ILE A 56 -4.502 7.441 2.746 1.00 0.00 C ATOM 844 C ILE A 56 -3.761 7.211 4.053 1.00 0.00 C ATOM 845 O ILE A 56 -4.232 6.402 4.846 1.00 0.00 O ATOM 846 CB ILE A 56 -3.901 6.568 1.605 1.00 0.00 C ATOM 847 CG1 ILE A 56 -2.970 7.296 0.599 1.00 0.00 C ATOM 848 CG2 ILE A 56 -5.038 5.766 0.956 1.00 0.00 C ATOM 849 CD1 ILE A 56 -2.754 6.595 -0.749 1.00 0.00 C ATOM 0 H ILE A 56 -4.031 9.146 1.636 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.536 7.108 2.831 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.188 5.882 2.063 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.380 8.288 0.408 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.998 7.438 1.072 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.635 5.148 0.154 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.507 5.128 1.705 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.780 6.452 0.548 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.087 7.195 -1.368 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.309 5.614 -0.582 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.712 6.477 -1.256 1.00 0.00 H new ATOM 861 N TYR A 57 -2.645 7.901 4.312 1.00 0.00 N ATOM 862 CA TYR A 57 -1.906 7.645 5.539 1.00 0.00 C ATOM 863 C TYR A 57 -2.774 7.942 6.765 1.00 0.00 C ATOM 864 O TYR A 57 -2.839 7.109 7.664 1.00 0.00 O ATOM 865 CB TYR A 57 -0.578 8.409 5.580 1.00 0.00 C ATOM 866 CG TYR A 57 0.236 8.082 6.822 1.00 0.00 C ATOM 867 CD1 TYR A 57 0.621 6.751 7.076 1.00 0.00 C ATOM 868 CD2 TYR A 57 0.561 9.088 7.753 1.00 0.00 C ATOM 869 CE1 TYR A 57 1.338 6.424 8.239 1.00 0.00 C ATOM 870 CE2 TYR A 57 1.291 8.772 8.915 1.00 0.00 C ATOM 871 CZ TYR A 57 1.690 7.437 9.159 1.00 0.00 C ATOM 872 OH TYR A 57 2.398 7.108 10.277 1.00 0.00 O ATOM 0 H TYR A 57 -2.248 8.618 3.705 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.652 6.585 5.558 1.00 0.00 H new ATOM 0 HB2 TYR A 57 0.005 8.167 4.692 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -0.776 9.480 5.550 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.363 5.975 6.370 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.249 10.106 7.575 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.620 5.399 8.430 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.546 9.549 9.620 1.00 0.00 H new ATOM 0 HH TYR A 57 2.563 7.914 10.809 1.00 0.00 H new ATOM 882 N ASP A 58 -3.498 9.066 6.795 1.00 0.00 N ATOM 883 CA ASP A 58 -4.353 9.408 7.930 1.00 0.00 C ATOM 884 C ASP A 58 -5.481 8.389 8.115 1.00 0.00 C ATOM 885 O ASP A 58 -5.672 7.870 9.217 1.00 0.00 O ATOM 886 CB ASP A 58 -4.940 10.812 7.759 1.00 0.00 C ATOM 887 CG ASP A 58 -5.886 11.142 8.925 1.00 0.00 C ATOM 888 OD1 ASP A 58 -5.397 11.437 10.038 1.00 0.00 O ATOM 889 OD2 ASP A 58 -7.121 11.129 8.731 1.00 0.00 O ATOM 0 H ASP A 58 -3.507 9.754 6.042 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.730 9.388 8.824 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.136 11.547 7.715 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.481 10.875 6.815 1.00 0.00 H new ATOM 894 N LYS A 59 -6.201 8.060 7.035 1.00 0.00 N ATOM 895 CA LYS A 59 -7.298 7.090 7.057 1.00 0.00 C ATOM 896 C LYS A 59 -6.808 5.727 7.527 1.00 0.00 C ATOM 897 O LYS A 59 -7.409 5.133 8.424 1.00 0.00 O ATOM 898 CB LYS A 59 -7.911 7.039 5.648 1.00 0.00 C ATOM 899 CG LYS A 59 -8.910 5.889 5.429 1.00 0.00 C ATOM 900 CD LYS A 59 -10.038 6.354 4.503 1.00 0.00 C ATOM 901 CE LYS A 59 -10.945 5.183 4.103 1.00 0.00 C ATOM 902 NZ LYS A 59 -11.996 5.599 3.141 1.00 0.00 N ATOM 0 H LYS A 59 -6.035 8.465 6.114 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.066 7.394 7.769 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.416 7.985 5.450 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.106 6.949 4.918 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.400 5.030 4.994 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.322 5.565 6.385 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.629 7.121 5.003 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.613 6.811 3.609 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.341 4.391 3.660 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.414 4.766 4.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.828 4.985 3.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.267 6.586 3.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.630 5.518 2.171 1.00 0.00 H new ATOM 916 N VAL A 60 -5.731 5.226 6.933 1.00 0.00 N ATOM 917 CA VAL A 60 -5.270 3.876 7.187 1.00 0.00 C ATOM 918 C VAL A 60 -4.652 3.816 8.579 1.00 0.00 C ATOM 919 O VAL A 60 -4.974 2.886 9.308 1.00 0.00 O ATOM 920 CB VAL A 60 -4.328 3.414 6.061 1.00 0.00 C ATOM 921 CG1 VAL A 60 -3.772 2.009 6.357 1.00 0.00 C ATOM 922 CG2 VAL A 60 -5.075 3.397 4.712 1.00 0.00 C ATOM 0 H VAL A 60 -5.159 5.745 6.266 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.102 3.172 7.179 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.498 4.118 6.006 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.109 1.702 5.548 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.216 2.028 7.295 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.597 1.301 6.438 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.397 3.068 3.925 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.920 2.711 4.773 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.437 4.399 4.484 1.00 0.00 H new ATOM 932 N SER A 61 -3.852 4.795 9.012 1.00 0.00 N ATOM 933 CA SER A 61 -3.367 4.820 10.386 1.00 0.00 C ATOM 934 C SER A 61 -4.527 4.889 11.377 1.00 0.00 C ATOM 935 O SER A 61 -4.420 4.295 12.447 1.00 0.00 O ATOM 936 CB SER A 61 -2.393 5.979 10.593 1.00 0.00 C ATOM 937 OG SER A 61 -1.219 5.721 9.851 1.00 0.00 O ATOM 0 H SER A 61 -3.532 5.572 8.434 1.00 0.00 H new ATOM 0 HA SER A 61 -2.829 3.890 10.573 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.846 6.916 10.270 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.155 6.088 11.651 1.00 0.00 H new ATOM 0 HG SER A 61 -0.721 6.556 9.727 1.00 0.00 H new ATOM 943 N GLY A 62 -5.636 5.555 11.045 1.00 0.00 N ATOM 944 CA GLY A 62 -6.835 5.526 11.866 1.00 0.00 C ATOM 945 C GLY A 62 -7.381 4.105 11.966 1.00 0.00 C ATOM 946 O GLY A 62 -7.552 3.598 13.071 1.00 0.00 O ATOM 0 H GLY A 62 -5.722 6.125 10.203 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.610 5.906 12.862 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.592 6.183 11.438 1.00 0.00 H new ATOM 950 N ASP A 63 -7.624 3.436 10.836 1.00 0.00 N ATOM 951 CA ASP A 63 -8.177 2.079 10.822 1.00 0.00 C ATOM 952 C ASP A 63 -7.270 1.089 11.548 1.00 0.00 C ATOM 953 O ASP A 63 -7.733 0.327 12.394 1.00 0.00 O ATOM 954 CB ASP A 63 -8.425 1.597 9.392 1.00 0.00 C ATOM 955 CG ASP A 63 -9.101 0.217 9.420 1.00 0.00 C ATOM 956 OD1 ASP A 63 -10.352 0.162 9.453 1.00 0.00 O ATOM 957 OD2 ASP A 63 -8.390 -0.811 9.402 1.00 0.00 O ATOM 0 H ASP A 63 -7.444 3.818 9.908 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.129 2.123 11.351 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.055 2.311 8.862 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.482 1.540 8.849 1.00 0.00 H new ATOM 962 N MET A 64 -5.969 1.142 11.270 1.00 0.00 N ATOM 963 CA MET A 64 -4.971 0.286 11.889 1.00 0.00 C ATOM 964 C MET A 64 -4.974 0.485 13.399 1.00 0.00 C ATOM 965 O MET A 64 -5.094 -0.490 14.136 1.00 0.00 O ATOM 966 CB MET A 64 -3.593 0.601 11.293 1.00 0.00 C ATOM 967 CG MET A 64 -3.496 0.194 9.815 1.00 0.00 C ATOM 968 SD MET A 64 -3.409 -1.591 9.522 1.00 0.00 S ATOM 969 CE MET A 64 -5.109 -1.845 8.956 1.00 0.00 C ATOM 0 H MET A 64 -5.576 1.796 10.594 1.00 0.00 H new ATOM 0 HA MET A 64 -5.208 -0.759 11.689 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.392 1.668 11.389 1.00 0.00 H new ATOM 0 HB3 MET A 64 -2.824 0.080 11.863 1.00 0.00 H new ATOM 0 HG2 MET A 64 -4.361 0.593 9.285 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.613 0.663 9.381 1.00 0.00 H new ATOM 0 HE1 MET A 64 -5.410 -2.873 9.158 1.00 0.00 H new ATOM 0 HE2 MET A 64 -5.774 -1.162 9.484 1.00 0.00 H new ATOM 0 HE3 MET A 64 -5.168 -1.653 7.885 1.00 0.00 H new ATOM 979 N GLN A 65 -4.911 1.728 13.876 1.00 0.00 N ATOM 980 CA GLN A 65 -4.906 2.010 15.299 1.00 0.00 C ATOM 981 C GLN A 65 -6.244 1.646 15.951 1.00 0.00 C ATOM 982 O GLN A 65 -6.251 1.228 17.107 1.00 0.00 O ATOM 983 CB GLN A 65 -4.536 3.477 15.513 1.00 0.00 C ATOM 984 CG GLN A 65 -3.037 3.728 15.247 1.00 0.00 C ATOM 985 CD GLN A 65 -2.703 5.214 15.356 1.00 0.00 C ATOM 986 OE1 GLN A 65 -2.039 5.663 16.288 1.00 0.00 O ATOM 987 NE2 GLN A 65 -3.172 6.010 14.410 1.00 0.00 N ATOM 0 H GLN A 65 -4.862 2.558 13.286 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.158 1.387 15.789 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.134 4.104 14.851 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.779 3.769 16.535 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.438 3.164 15.961 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.774 3.365 14.253 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.721 5.622 13.643 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.984 7.012 14.447 1.00 0.00 H new ATOM 996 N LYS A 66 -7.367 1.717 15.227 1.00 0.00 N ATOM 997 CA LYS A 66 -8.649 1.194 15.703 1.00 0.00 C ATOM 998 C LYS A 66 -8.600 -0.334 15.837 1.00 0.00 C ATOM 999 O LYS A 66 -9.154 -0.854 16.807 1.00 0.00 O ATOM 1000 CB LYS A 66 -9.795 1.683 14.797 1.00 0.00 C ATOM 1001 CG LYS A 66 -10.145 3.157 15.084 1.00 0.00 C ATOM 1002 CD LYS A 66 -11.255 3.728 14.185 1.00 0.00 C ATOM 1003 CE LYS A 66 -10.812 3.980 12.731 1.00 0.00 C ATOM 1004 NZ LYS A 66 -11.915 4.536 11.905 1.00 0.00 N ATOM 0 H LYS A 66 -7.411 2.137 14.299 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.847 1.582 16.702 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.508 1.572 13.751 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.676 1.061 14.953 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -10.453 3.249 16.126 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.247 3.762 14.962 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -12.099 3.038 14.183 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.611 4.665 14.614 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -9.969 4.670 12.723 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.464 3.046 12.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.577 4.691 10.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.710 3.866 11.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.231 5.440 12.311 1.00 0.00 H new ATOM 1018 N GLN A 67 -7.909 -1.059 14.947 1.00 0.00 N ATOM 1019 CA GLN A 67 -7.630 -2.490 15.130 1.00 0.00 C ATOM 1020 C GLN A 67 -6.573 -2.739 16.226 1.00 0.00 C ATOM 1021 O GLN A 67 -6.384 -3.877 16.653 1.00 0.00 O ATOM 1022 CB GLN A 67 -7.178 -3.138 13.806 1.00 0.00 C ATOM 1023 CG GLN A 67 -8.266 -3.122 12.721 1.00 0.00 C ATOM 1024 CD GLN A 67 -7.877 -3.962 11.500 1.00 0.00 C ATOM 1025 OE1 GLN A 67 -7.608 -5.155 11.608 1.00 0.00 O ATOM 1026 NE2 GLN A 67 -7.849 -3.394 10.305 1.00 0.00 N ATOM 0 H GLN A 67 -7.529 -0.672 14.083 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.562 -2.954 15.453 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -6.297 -2.615 13.435 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -6.880 -4.169 13.997 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -9.199 -3.501 13.138 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.451 -2.094 12.409 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.071 -2.403 10.206 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -7.605 -3.947 9.483 1.00 0.00 H new ATOM 1035 N GLY A 68 -5.866 -1.694 16.663 1.00 0.00 N ATOM 1036 CA GLY A 68 -4.813 -1.726 17.670 1.00 0.00 C ATOM 1037 C GLY A 68 -3.416 -1.800 17.049 1.00 0.00 C ATOM 1038 O GLY A 68 -2.437 -1.615 17.765 1.00 0.00 O ATOM 0 H GLY A 68 -6.025 -0.754 16.301 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.884 -0.835 18.294 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.964 -2.586 18.323 1.00 0.00 H new ATOM 1042 N CYS A 69 -3.305 -2.047 15.739 1.00 0.00 N ATOM 1043 CA CYS A 69 -2.048 -2.052 15.003 1.00 0.00 C ATOM 1044 C CYS A 69 -1.309 -0.719 15.158 1.00 0.00 C ATOM 1045 O CYS A 69 -1.924 0.338 15.308 1.00 0.00 O ATOM 1046 CB CYS A 69 -2.332 -2.317 13.519 1.00 0.00 C ATOM 1047 SG CYS A 69 -2.943 -4.005 13.267 1.00 0.00 S ATOM 0 H CYS A 69 -4.112 -2.254 15.151 1.00 0.00 H new ATOM 0 HA CYS A 69 -1.412 -2.839 15.409 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -3.068 -1.601 13.152 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.422 -2.165 12.938 1.00 0.00 H new ATOM 0 HG CYS A 69 -3.740 -4.029 12.240 1.00 0.00 H new ATOM 1053 N ASP A 70 0.016 -0.773 15.035 1.00 0.00 N ATOM 1054 CA ASP A 70 0.887 0.395 14.959 1.00 0.00 C ATOM 1055 C ASP A 70 1.492 0.372 13.563 1.00 0.00 C ATOM 1056 O ASP A 70 1.840 -0.710 13.078 1.00 0.00 O ATOM 1057 CB ASP A 70 1.974 0.342 16.036 1.00 0.00 C ATOM 1058 CG ASP A 70 2.947 1.523 15.887 1.00 0.00 C ATOM 1059 OD1 ASP A 70 2.492 2.689 15.910 1.00 0.00 O ATOM 1060 OD2 ASP A 70 4.170 1.293 15.769 1.00 0.00 O ATOM 0 H ASP A 70 0.526 -1.655 14.984 1.00 0.00 H new ATOM 0 HA ASP A 70 0.333 1.317 15.135 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.515 0.366 17.024 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.521 -0.598 15.961 1.00 0.00 H new ATOM 1065 N CYS A 71 1.601 1.540 12.926 1.00 0.00 N ATOM 1066 CA CYS A 71 1.933 1.650 11.515 1.00 0.00 C ATOM 1067 C CYS A 71 2.860 2.820 11.205 1.00 0.00 C ATOM 1068 O CYS A 71 2.948 3.778 11.976 1.00 0.00 O ATOM 1069 CB CYS A 71 0.623 1.832 10.738 1.00 0.00 C ATOM 1070 SG CYS A 71 -0.196 0.230 10.591 1.00 0.00 S ATOM 0 H CYS A 71 1.459 2.440 13.384 1.00 0.00 H new ATOM 0 HA CYS A 71 2.464 0.744 11.223 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -0.025 2.541 11.253 1.00 0.00 H new ATOM 0 HB3 CYS A 71 0.825 2.244 9.749 1.00 0.00 H new ATOM 0 HG CYS A 71 -0.528 0.025 9.351 1.00 0.00 H new ATOM 1076 N GLU A 72 3.505 2.754 10.038 1.00 0.00 N ATOM 1077 CA GLU A 72 4.384 3.783 9.512 1.00 0.00 C ATOM 1078 C GLU A 72 4.362 3.657 7.987 1.00 0.00 C ATOM 1079 O GLU A 72 4.588 2.564 7.465 1.00 0.00 O ATOM 1080 CB GLU A 72 5.791 3.520 10.077 1.00 0.00 C ATOM 1081 CG GLU A 72 6.880 4.373 9.422 1.00 0.00 C ATOM 1082 CD GLU A 72 8.242 4.147 10.098 1.00 0.00 C ATOM 1083 OE1 GLU A 72 8.748 3.003 10.075 1.00 0.00 O ATOM 1084 OE2 GLU A 72 8.821 5.113 10.648 1.00 0.00 O ATOM 0 H GLU A 72 3.422 1.950 9.416 1.00 0.00 H new ATOM 0 HA GLU A 72 4.076 4.790 9.792 1.00 0.00 H new ATOM 0 HB2 GLU A 72 5.785 3.713 11.150 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.036 2.466 9.944 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.951 4.127 8.363 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.609 5.427 9.487 1.00 0.00 H new ATOM 1091 N CYS A 73 4.079 4.739 7.257 1.00 0.00 N ATOM 1092 CA CYS A 73 4.263 4.745 5.812 1.00 0.00 C ATOM 1093 C CYS A 73 5.777 4.738 5.557 1.00 0.00 C ATOM 1094 O CYS A 73 6.493 5.637 6.005 1.00 0.00 O ATOM 1095 CB CYS A 73 3.544 5.937 5.147 1.00 0.00 C ATOM 1096 SG CYS A 73 3.836 7.473 6.069 1.00 0.00 S ATOM 0 H CYS A 73 3.724 5.614 7.643 1.00 0.00 H new ATOM 0 HA CYS A 73 3.809 3.865 5.357 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.896 6.052 4.122 1.00 0.00 H new ATOM 0 HB3 CYS A 73 2.474 5.738 5.096 1.00 0.00 H new ATOM 0 HG CYS A 73 3.954 8.464 5.236 1.00 0.00 H new ATOM 1102 N LEU A 74 6.279 3.726 4.843 1.00 0.00 N ATOM 1103 CA LEU A 74 7.662 3.722 4.371 1.00 0.00 C ATOM 1104 C LEU A 74 7.858 4.828 3.324 1.00 0.00 C ATOM 1105 O LEU A 74 8.973 5.317 3.152 1.00 0.00 O ATOM 1106 CB LEU A 74 8.054 2.346 3.803 1.00 0.00 C ATOM 1107 CG LEU A 74 7.996 1.168 4.801 1.00 0.00 C ATOM 1108 CD1 LEU A 74 8.638 -0.072 4.165 1.00 0.00 C ATOM 1109 CD2 LEU A 74 8.704 1.457 6.132 1.00 0.00 C ATOM 0 H LEU A 74 5.745 2.898 4.580 1.00 0.00 H new ATOM 0 HA LEU A 74 8.319 3.921 5.218 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.397 2.119 2.963 1.00 0.00 H new ATOM 0 HB3 LEU A 74 9.067 2.412 3.406 1.00 0.00 H new ATOM 0 HG LEU A 74 6.942 1.004 5.023 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.598 -0.904 4.868 1.00 0.00 H new ATOM 0 HD12 LEU A 74 8.096 -0.337 3.257 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.677 0.143 3.917 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.623 0.587 6.783 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.756 1.674 5.945 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.236 2.316 6.614 1.00 0.00 H new ATOM 1121 N GLY A 75 6.778 5.240 2.652 1.00 0.00 N ATOM 1122 CA GLY A 75 6.723 6.402 1.784 1.00 0.00 C ATOM 1123 C GLY A 75 5.409 6.401 1.010 1.00 0.00 C ATOM 1124 O GLY A 75 4.523 5.580 1.284 1.00 0.00 O ATOM 0 H GLY A 75 5.887 4.747 2.706 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.808 7.314 2.375 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.565 6.391 1.091 1.00 0.00 H new ATOM 1128 N GLY A 76 5.301 7.294 0.027 1.00 0.00 N ATOM 1129 CA GLY A 76 4.183 7.351 -0.903 1.00 0.00 C ATOM 1130 C GLY A 76 4.676 7.265 -2.343 1.00 0.00 C ATOM 1131 O GLY A 76 5.881 7.348 -2.610 1.00 0.00 O ATOM 0 H GLY A 76 6.005 8.011 -0.145 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.492 6.532 -0.700 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.629 8.279 -0.758 1.00 0.00 H new ATOM 1135 N GLY A 77 3.734 7.085 -3.263 1.00 0.00 N ATOM 1136 CA GLY A 77 3.982 6.884 -4.677 1.00 0.00 C ATOM 1137 C GLY A 77 2.653 6.819 -5.421 1.00 0.00 C ATOM 1138 O GLY A 77 1.606 7.179 -4.882 1.00 0.00 O ATOM 0 H GLY A 77 2.741 7.076 -3.030 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.592 7.698 -5.070 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.543 5.962 -4.831 1.00 0.00 H new ATOM 1142 N ARG A 78 2.657 6.367 -6.670 1.00 0.00 N ATOM 1143 CA ARG A 78 1.449 6.230 -7.466 1.00 0.00 C ATOM 1144 C ARG A 78 1.556 4.998 -8.343 1.00 0.00 C ATOM 1145 O ARG A 78 2.652 4.479 -8.570 1.00 0.00 O ATOM 1146 CB ARG A 78 1.149 7.536 -8.229 1.00 0.00 C ATOM 1147 CG ARG A 78 1.946 7.817 -9.514 1.00 0.00 C ATOM 1148 CD ARG A 78 1.572 9.234 -9.986 1.00 0.00 C ATOM 1149 NE ARG A 78 1.843 9.470 -11.416 1.00 0.00 N ATOM 1150 CZ ARG A 78 1.782 10.669 -12.019 1.00 0.00 C ATOM 1151 NH1 ARG A 78 1.597 11.780 -11.310 1.00 0.00 N ATOM 1152 NH2 ARG A 78 1.893 10.761 -13.341 1.00 0.00 N ATOM 0 H ARG A 78 3.506 6.084 -7.160 1.00 0.00 H new ATOM 0 HA ARG A 78 0.583 6.073 -6.823 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.090 7.538 -8.485 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.313 8.368 -7.545 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.017 7.745 -9.325 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.708 7.081 -10.282 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.513 9.405 -9.792 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.126 9.963 -9.395 1.00 0.00 H new ATOM 0 HE ARG A 78 2.095 8.665 -11.989 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.500 11.728 -10.296 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.553 12.684 -11.781 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.025 9.919 -13.902 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.846 11.673 -13.794 1.00 0.00 H new ATOM 1166 N ILE A 79 0.405 4.531 -8.802 1.00 0.00 N ATOM 1167 CA ILE A 79 0.235 3.336 -9.602 1.00 0.00 C ATOM 1168 C ILE A 79 -0.470 3.811 -10.868 1.00 0.00 C ATOM 1169 O ILE A 79 -1.375 4.652 -10.787 1.00 0.00 O ATOM 1170 CB ILE A 79 -0.600 2.286 -8.827 1.00 0.00 C ATOM 1171 CG1 ILE A 79 0.103 1.839 -7.523 1.00 0.00 C ATOM 1172 CG2 ILE A 79 -0.896 1.059 -9.719 1.00 0.00 C ATOM 1173 CD1 ILE A 79 -0.772 0.976 -6.602 1.00 0.00 C ATOM 0 H ILE A 79 -0.480 5.003 -8.615 1.00 0.00 H new ATOM 0 HA ILE A 79 1.179 2.846 -9.840 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.541 2.762 -8.552 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.002 1.279 -7.781 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.425 2.724 -6.975 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.483 0.333 -9.156 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.456 1.375 -10.599 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.043 0.602 -10.032 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.206 0.705 -5.711 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.659 1.539 -6.311 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.073 0.071 -7.130 1.00 0.00 H new ATOM 1333 N HIS A 89 2.426 -0.062 -13.576 1.00 0.00 N ATOM 1334 CA HIS A 89 3.682 0.524 -13.127 1.00 0.00 C ATOM 1335 C HIS A 89 3.487 1.235 -11.797 1.00 0.00 C ATOM 1336 O HIS A 89 2.401 1.751 -11.530 1.00 0.00 O ATOM 1337 CB HIS A 89 4.220 1.466 -14.209 1.00 0.00 C ATOM 1338 CG HIS A 89 5.714 1.655 -14.146 1.00 0.00 C ATOM 1339 ND1 HIS A 89 6.650 0.687 -14.424 1.00 0.00 N ATOM 1340 CD2 HIS A 89 6.397 2.811 -13.882 1.00 0.00 C ATOM 1341 CE1 HIS A 89 7.867 1.245 -14.336 1.00 0.00 C ATOM 1342 NE2 HIS A 89 7.766 2.542 -13.995 1.00 0.00 N ATOM 0 HA HIS A 89 4.420 -0.262 -12.966 1.00 0.00 H new ATOM 0 HB2 HIS A 89 3.952 1.073 -15.190 1.00 0.00 H new ATOM 0 HB3 HIS A 89 3.734 2.436 -14.111 1.00 0.00 H new ATOM 0 HD2 HIS A 89 5.957 3.764 -13.630 1.00 0.00 H new ATOM 0 HE1 HIS A 89 8.797 0.726 -14.514 1.00 0.00 H new ATOM 0 HE2 HIS A 89 8.533 3.198 -13.848 1.00 0.00 H new ATOM 1350 N VAL A 90 4.546 1.288 -10.990 1.00 0.00 N ATOM 1351 CA VAL A 90 4.558 1.884 -9.662 1.00 0.00 C ATOM 1352 C VAL A 90 5.809 2.762 -9.583 1.00 0.00 C ATOM 1353 O VAL A 90 6.871 2.377 -10.068 1.00 0.00 O ATOM 1354 CB VAL A 90 4.565 0.788 -8.576 1.00 0.00 C ATOM 1355 CG1 VAL A 90 4.257 1.405 -7.203 1.00 0.00 C ATOM 1356 CG2 VAL A 90 3.547 -0.337 -8.829 1.00 0.00 C ATOM 0 H VAL A 90 5.451 0.901 -11.257 1.00 0.00 H new ATOM 0 HA VAL A 90 3.664 2.484 -9.490 1.00 0.00 H new ATOM 0 HB VAL A 90 5.563 0.350 -8.605 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.264 0.624 -6.443 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.013 2.152 -6.962 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.275 1.877 -7.228 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.609 -1.071 -8.026 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.541 0.083 -8.861 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.768 -0.821 -9.780 1.00 0.00 H new ATOM 1366 N TYR A 91 5.680 3.974 -9.054 1.00 0.00 N ATOM 1367 CA TYR A 91 6.714 5.006 -9.081 1.00 0.00 C ATOM 1368 C TYR A 91 6.258 6.145 -8.169 1.00 0.00 C ATOM 1369 O TYR A 91 5.252 5.996 -7.479 1.00 0.00 O ATOM 1370 CB TYR A 91 6.940 5.490 -10.529 1.00 0.00 C ATOM 1371 CG TYR A 91 5.726 6.027 -11.274 1.00 0.00 C ATOM 1372 CD1 TYR A 91 4.730 5.150 -11.746 1.00 0.00 C ATOM 1373 CD2 TYR A 91 5.635 7.397 -11.583 1.00 0.00 C ATOM 1374 CE1 TYR A 91 3.674 5.622 -12.533 1.00 0.00 C ATOM 1375 CE2 TYR A 91 4.614 7.871 -12.424 1.00 0.00 C ATOM 1376 CZ TYR A 91 3.638 6.977 -12.921 1.00 0.00 C ATOM 1377 OH TYR A 91 2.680 7.404 -13.791 1.00 0.00 O ATOM 0 H TYR A 91 4.829 4.276 -8.580 1.00 0.00 H new ATOM 0 HA TYR A 91 7.667 4.616 -8.723 1.00 0.00 H new ATOM 0 HB2 TYR A 91 7.700 6.272 -10.511 1.00 0.00 H new ATOM 0 HB3 TYR A 91 7.351 4.660 -11.104 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.782 4.100 -11.497 1.00 0.00 H new ATOM 0 HD2 TYR A 91 6.355 8.089 -11.171 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.888 4.950 -12.843 1.00 0.00 H new ATOM 0 HE2 TYR A 91 4.575 8.917 -12.690 1.00 0.00 H new ATOM 0 HH TYR A 91 1.873 6.858 -13.683 1.00 0.00 H new ATOM 1387 N GLY A 92 6.945 7.288 -8.159 1.00 0.00 N ATOM 1388 CA GLY A 92 6.449 8.481 -7.489 1.00 0.00 C ATOM 1389 C GLY A 92 7.233 8.837 -6.233 1.00 0.00 C ATOM 1390 O GLY A 92 8.287 8.267 -5.937 1.00 0.00 O ATOM 0 H GLY A 92 7.851 7.408 -8.611 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.487 9.321 -8.183 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.402 8.332 -7.225 1.00 0.00 H new ATOM 1394 N TYR A 93 6.709 9.831 -5.520 1.00 0.00 N ATOM 1395 CA TYR A 93 7.346 10.507 -4.406 1.00 0.00 C ATOM 1396 C TYR A 93 6.242 11.139 -3.553 1.00 0.00 C ATOM 1397 O TYR A 93 5.178 11.487 -4.076 1.00 0.00 O ATOM 1398 CB TYR A 93 8.270 11.588 -4.999 1.00 0.00 C ATOM 1399 CG TYR A 93 8.880 12.561 -4.008 1.00 0.00 C ATOM 1400 CD1 TYR A 93 10.050 12.214 -3.310 1.00 0.00 C ATOM 1401 CD2 TYR A 93 8.292 13.826 -3.810 1.00 0.00 C ATOM 1402 CE1 TYR A 93 10.628 13.122 -2.404 1.00 0.00 C ATOM 1403 CE2 TYR A 93 8.871 14.744 -2.916 1.00 0.00 C ATOM 1404 CZ TYR A 93 10.041 14.392 -2.202 1.00 0.00 C ATOM 1405 OH TYR A 93 10.623 15.272 -1.338 1.00 0.00 O ATOM 0 H TYR A 93 5.780 10.202 -5.719 1.00 0.00 H new ATOM 0 HA TYR A 93 7.931 9.830 -3.784 1.00 0.00 H new ATOM 0 HB2 TYR A 93 9.079 11.092 -5.535 1.00 0.00 H new ATOM 0 HB3 TYR A 93 7.703 12.158 -5.735 1.00 0.00 H new ATOM 0 HD1 TYR A 93 10.506 11.248 -3.470 1.00 0.00 H new ATOM 0 HD2 TYR A 93 7.393 14.092 -4.347 1.00 0.00 H new ATOM 0 HE1 TYR A 93 11.521 12.848 -1.862 1.00 0.00 H new ATOM 0 HE2 TYR A 93 8.423 15.717 -2.774 1.00 0.00 H new ATOM 0 HH TYR A 93 10.099 16.100 -1.312 1.00 0.00 H new ATOM 1415 N SER A 94 6.515 11.333 -2.264 1.00 0.00 N ATOM 1416 CA SER A 94 5.704 12.103 -1.333 1.00 0.00 C ATOM 1417 C SER A 94 6.646 13.124 -0.708 1.00 0.00 C ATOM 1418 O SER A 94 7.789 12.785 -0.385 1.00 0.00 O ATOM 1419 CB SER A 94 5.109 11.168 -0.272 1.00 0.00 C ATOM 1420 OG SER A 94 4.683 11.863 0.880 1.00 0.00 O ATOM 0 H SER A 94 7.346 10.938 -1.824 1.00 0.00 H new ATOM 0 HA SER A 94 4.867 12.600 -1.824 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.265 10.628 -0.700 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.853 10.423 0.011 1.00 0.00 H new ATOM 0 HG SER A 94 3.704 11.854 0.924 1.00 0.00 H new ATOM 1426 N MET A 95 6.177 14.356 -0.506 1.00 0.00 N ATOM 1427 CA MET A 95 6.968 15.347 0.206 1.00 0.00 C ATOM 1428 C MET A 95 6.850 15.129 1.713 1.00 0.00 C ATOM 1429 O MET A 95 7.837 15.340 2.421 1.00 0.00 O ATOM 1430 CB MET A 95 6.586 16.778 -0.199 1.00 0.00 C ATOM 1431 CG MET A 95 5.123 17.147 0.071 1.00 0.00 C ATOM 1432 SD MET A 95 4.737 18.910 -0.163 1.00 0.00 S ATOM 1433 CE MET A 95 5.008 19.095 -1.950 1.00 0.00 C ATOM 0 H MET A 95 5.265 14.684 -0.823 1.00 0.00 H new ATOM 0 HA MET A 95 8.013 15.218 -0.074 1.00 0.00 H new ATOM 0 HB2 MET A 95 7.228 17.477 0.336 1.00 0.00 H new ATOM 0 HB3 MET A 95 6.790 16.908 -1.262 1.00 0.00 H new ATOM 0 HG2 MET A 95 4.485 16.557 -0.587 1.00 0.00 H new ATOM 0 HG3 MET A 95 4.873 16.865 1.094 1.00 0.00 H new ATOM 0 HE1 MET A 95 4.708 20.096 -2.262 1.00 0.00 H new ATOM 0 HE2 MET A 95 6.064 18.946 -2.175 1.00 0.00 H new ATOM 0 HE3 MET A 95 4.414 18.355 -2.487 1.00 0.00 H new ATOM 1443 N ALA A 96 5.685 14.700 2.220 1.00 0.00 N ATOM 1444 CA ALA A 96 5.516 14.530 3.657 1.00 0.00 C ATOM 1445 C ALA A 96 6.173 13.242 4.169 1.00 0.00 C ATOM 1446 O ALA A 96 6.551 13.200 5.343 1.00 0.00 O ATOM 1447 CB ALA A 96 4.032 14.566 4.021 1.00 0.00 C ATOM 0 H ALA A 96 4.863 14.470 1.662 1.00 0.00 H new ATOM 0 HA ALA A 96 6.022 15.360 4.149 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.918 14.438 5.097 1.00 0.00 H new ATOM 0 HB2 ALA A 96 3.607 15.525 3.723 1.00 0.00 H new ATOM 0 HB3 ALA A 96 3.511 13.761 3.503 1.00 0.00 H new ATOM 1453 N TYR A 97 6.346 12.221 3.318 1.00 0.00 N ATOM 1454 CA TYR A 97 6.752 10.883 3.756 1.00 0.00 C ATOM 1455 C TYR A 97 7.884 10.267 2.922 1.00 0.00 C ATOM 1456 O TYR A 97 8.393 9.207 3.291 1.00 0.00 O ATOM 1457 CB TYR A 97 5.513 9.973 3.762 1.00 0.00 C ATOM 1458 CG TYR A 97 4.309 10.566 4.480 1.00 0.00 C ATOM 1459 CD1 TYR A 97 4.309 10.688 5.883 1.00 0.00 C ATOM 1460 CD2 TYR A 97 3.215 11.057 3.743 1.00 0.00 C ATOM 1461 CE1 TYR A 97 3.217 11.273 6.548 1.00 0.00 C ATOM 1462 CE2 TYR A 97 2.120 11.638 4.397 1.00 0.00 C ATOM 1463 CZ TYR A 97 2.116 11.758 5.806 1.00 0.00 C ATOM 1464 OH TYR A 97 1.083 12.365 6.457 1.00 0.00 O ATOM 0 H TYR A 97 6.208 12.301 2.311 1.00 0.00 H new ATOM 0 HA TYR A 97 7.166 10.979 4.760 1.00 0.00 H new ATOM 0 HB2 TYR A 97 5.235 9.750 2.732 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.774 9.026 4.234 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.154 10.330 6.452 1.00 0.00 H new ATOM 0 HD2 TYR A 97 3.219 10.986 2.665 1.00 0.00 H new ATOM 0 HE1 TYR A 97 3.219 11.352 7.625 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.277 11.995 3.824 1.00 0.00 H new ATOM 0 HH TYR A 97 0.405 12.643 5.807 1.00 0.00 H new ATOM 1474 N GLY A 98 8.319 10.919 1.840 1.00 0.00 N ATOM 1475 CA GLY A 98 9.384 10.425 0.971 1.00 0.00 C ATOM 1476 C GLY A 98 8.879 9.361 -0.010 1.00 0.00 C ATOM 1477 O GLY A 98 7.727 8.922 0.080 1.00 0.00 O ATOM 0 H GLY A 98 7.935 11.816 1.542 1.00 0.00 H new ATOM 0 HA2 GLY A 98 9.812 11.258 0.413 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.184 10.005 1.581 1.00 0.00 H new ATOM 1481 N PRO A 99 9.709 8.940 -0.978 1.00 0.00 N ATOM 1482 CA PRO A 99 9.341 7.891 -1.915 1.00 0.00 C ATOM 1483 C PRO A 99 9.278 6.551 -1.176 1.00 0.00 C ATOM 1484 O PRO A 99 10.146 6.241 -0.353 1.00 0.00 O ATOM 1485 CB PRO A 99 10.427 7.914 -2.994 1.00 0.00 C ATOM 1486 CG PRO A 99 11.662 8.435 -2.257 1.00 0.00 C ATOM 1487 CD PRO A 99 11.093 9.348 -1.167 1.00 0.00 C ATOM 0 HA PRO A 99 8.359 8.038 -2.365 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.599 6.921 -3.410 1.00 0.00 H new ATOM 0 HB3 PRO A 99 10.152 8.565 -3.824 1.00 0.00 H new ATOM 0 HG2 PRO A 99 12.244 7.619 -1.829 1.00 0.00 H new ATOM 0 HG3 PRO A 99 12.325 8.981 -2.928 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.659 9.248 -0.241 1.00 0.00 H new ATOM 0 HD3 PRO A 99 11.153 10.395 -1.465 1.00 0.00 H new ATOM 1495 N ALA A 100 8.250 5.751 -1.466 1.00 0.00 N ATOM 1496 CA ALA A 100 8.160 4.381 -0.978 1.00 0.00 C ATOM 1497 C ALA A 100 9.249 3.495 -1.609 1.00 0.00 C ATOM 1498 O ALA A 100 9.933 3.899 -2.553 1.00 0.00 O ATOM 1499 CB ALA A 100 6.766 3.839 -1.285 1.00 0.00 C ATOM 0 H ALA A 100 7.460 6.037 -2.045 1.00 0.00 H new ATOM 0 HA ALA A 100 8.324 4.370 0.100 1.00 0.00 H new ATOM 0 HB1 ALA A 100 6.687 2.814 -0.924 1.00 0.00 H new ATOM 0 HB2 ALA A 100 6.018 4.457 -0.789 1.00 0.00 H new ATOM 0 HB3 ALA A 100 6.597 3.859 -2.362 1.00 0.00 H new ATOM 1505 N GLN A 101 9.392 2.264 -1.099 1.00 0.00 N ATOM 1506 CA GLN A 101 10.386 1.312 -1.599 1.00 0.00 C ATOM 1507 C GLN A 101 10.102 0.894 -3.045 1.00 0.00 C ATOM 1508 O GLN A 101 11.043 0.608 -3.784 1.00 0.00 O ATOM 1509 CB GLN A 101 10.432 0.052 -0.713 1.00 0.00 C ATOM 1510 CG GLN A 101 10.806 0.308 0.755 1.00 0.00 C ATOM 1511 CD GLN A 101 12.139 1.043 0.911 1.00 0.00 C ATOM 1512 OE1 GLN A 101 12.180 2.240 1.179 1.00 0.00 O ATOM 1513 NE2 GLN A 101 13.256 0.355 0.732 1.00 0.00 N ATOM 0 H GLN A 101 8.824 1.904 -0.332 1.00 0.00 H new ATOM 0 HA GLN A 101 11.350 1.821 -1.567 1.00 0.00 H new ATOM 0 HB2 GLN A 101 9.456 -0.433 -0.745 1.00 0.00 H new ATOM 0 HB3 GLN A 101 11.150 -0.648 -1.139 1.00 0.00 H new ATOM 0 HG2 GLN A 101 10.017 0.892 1.229 1.00 0.00 H new ATOM 0 HG3 GLN A 101 10.858 -0.644 1.283 1.00 0.00 H new ATOM 0 HE21 GLN A 101 13.212 -0.639 0.510 1.00 0.00 H new ATOM 0 HE22 GLN A 101 14.160 0.819 0.817 1.00 0.00 H new ATOM 1522 N HIS A 102 8.820 0.827 -3.427 1.00 0.00 N ATOM 1523 CA HIS A 102 8.276 0.353 -4.701 1.00 0.00 C ATOM 1524 C HIS A 102 8.563 -1.119 -5.037 1.00 0.00 C ATOM 1525 O HIS A 102 7.694 -1.769 -5.615 1.00 0.00 O ATOM 1526 CB HIS A 102 8.587 1.349 -5.822 1.00 0.00 C ATOM 1527 CG HIS A 102 7.991 2.715 -5.556 1.00 0.00 C ATOM 1528 ND1 HIS A 102 8.652 3.924 -5.576 1.00 0.00 N ATOM 1529 CD2 HIS A 102 6.711 2.976 -5.137 1.00 0.00 C ATOM 1530 CE1 HIS A 102 7.793 4.878 -5.188 1.00 0.00 C ATOM 1531 NE2 HIS A 102 6.589 4.351 -4.928 1.00 0.00 N ATOM 0 H HIS A 102 8.076 1.129 -2.798 1.00 0.00 H new ATOM 0 HA HIS A 102 7.192 0.330 -4.586 1.00 0.00 H new ATOM 0 HB2 HIS A 102 9.667 1.442 -5.934 1.00 0.00 H new ATOM 0 HB3 HIS A 102 8.201 0.964 -6.766 1.00 0.00 H new ATOM 0 HD1 HIS A 102 9.627 4.068 -5.840 1.00 0.00 H new ATOM 0 HD2 HIS A 102 5.931 2.243 -4.993 1.00 0.00 H new ATOM 0 HE1 HIS A 102 8.038 5.926 -5.098 1.00 0.00 H new ATOM 1539 N ALA A 103 9.693 -1.680 -4.597 1.00 0.00 N ATOM 1540 CA ALA A 103 10.023 -3.094 -4.730 1.00 0.00 C ATOM 1541 C ALA A 103 9.038 -3.968 -3.948 1.00 0.00 C ATOM 1542 O ALA A 103 8.552 -4.971 -4.466 1.00 0.00 O ATOM 1543 CB ALA A 103 11.450 -3.320 -4.215 1.00 0.00 C ATOM 0 H ALA A 103 10.422 -1.144 -4.126 1.00 0.00 H new ATOM 0 HA ALA A 103 9.955 -3.376 -5.781 1.00 0.00 H new ATOM 0 HB1 ALA A 103 11.708 -4.375 -4.310 1.00 0.00 H new ATOM 0 HB2 ALA A 103 12.147 -2.722 -4.801 1.00 0.00 H new ATOM 0 HB3 ALA A 103 11.510 -3.024 -3.168 1.00 0.00 H new ATOM 1549 N ILE A 104 8.734 -3.593 -2.698 1.00 0.00 N ATOM 1550 CA ILE A 104 7.763 -4.319 -1.880 1.00 0.00 C ATOM 1551 C ILE A 104 6.410 -4.258 -2.599 1.00 0.00 C ATOM 1552 O ILE A 104 5.741 -5.279 -2.757 1.00 0.00 O ATOM 1553 CB ILE A 104 7.703 -3.729 -0.447 1.00 0.00 C ATOM 1554 CG1 ILE A 104 9.097 -3.767 0.226 1.00 0.00 C ATOM 1555 CG2 ILE A 104 6.671 -4.484 0.414 1.00 0.00 C ATOM 1556 CD1 ILE A 104 9.151 -3.076 1.593 1.00 0.00 C ATOM 0 H ILE A 104 9.151 -2.787 -2.233 1.00 0.00 H new ATOM 0 HA ILE A 104 8.056 -5.362 -1.761 1.00 0.00 H new ATOM 0 HB ILE A 104 7.389 -2.688 -0.527 1.00 0.00 H new ATOM 0 HG12 ILE A 104 9.403 -4.806 0.344 1.00 0.00 H new ATOM 0 HG13 ILE A 104 9.822 -3.294 -0.437 1.00 0.00 H new ATOM 0 HG21 ILE A 104 6.647 -4.052 1.415 1.00 0.00 H new ATOM 0 HG22 ILE A 104 5.685 -4.399 -0.042 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.951 -5.535 0.479 1.00 0.00 H new ATOM 0 HD11 ILE A 104 10.161 -3.147 1.997 1.00 0.00 H new ATOM 0 HD12 ILE A 104 8.878 -2.027 1.481 1.00 0.00 H new ATOM 0 HD13 ILE A 104 8.453 -3.562 2.274 1.00 0.00 H new ATOM 1568 N SER A 105 6.034 -3.068 -3.069 1.00 0.00 N ATOM 1569 CA SER A 105 4.750 -2.785 -3.675 1.00 0.00 C ATOM 1570 C SER A 105 4.512 -3.696 -4.871 1.00 0.00 C ATOM 1571 O SER A 105 3.482 -4.366 -4.924 1.00 0.00 O ATOM 1572 CB SER A 105 4.711 -1.312 -4.096 1.00 0.00 C ATOM 1573 OG SER A 105 5.535 -0.535 -3.241 1.00 0.00 O ATOM 0 H SER A 105 6.644 -2.251 -3.033 1.00 0.00 H new ATOM 0 HA SER A 105 3.956 -2.973 -2.952 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.049 -1.212 -5.128 1.00 0.00 H new ATOM 0 HB3 SER A 105 3.686 -0.943 -4.059 1.00 0.00 H new ATOM 0 HG SER A 105 5.240 0.399 -3.263 1.00 0.00 H new ATOM 1579 N THR A 106 5.457 -3.761 -5.812 1.00 0.00 N ATOM 1580 CA THR A 106 5.275 -4.568 -7.002 1.00 0.00 C ATOM 1581 C THR A 106 5.186 -6.039 -6.636 1.00 0.00 C ATOM 1582 O THR A 106 4.285 -6.703 -7.134 1.00 0.00 O ATOM 1583 CB THR A 106 6.387 -4.308 -8.023 1.00 0.00 C ATOM 1584 OG1 THR A 106 7.661 -4.294 -7.412 1.00 0.00 O ATOM 1585 CG2 THR A 106 6.142 -2.964 -8.699 1.00 0.00 C ATOM 0 H THR A 106 6.347 -3.265 -5.766 1.00 0.00 H new ATOM 0 HA THR A 106 4.334 -4.281 -7.471 1.00 0.00 H new ATOM 0 HB THR A 106 6.370 -5.115 -8.756 1.00 0.00 H new ATOM 0 HG1 THR A 106 8.210 -3.590 -7.816 1.00 0.00 H new ATOM 0 HG21 THR A 106 6.931 -2.774 -9.427 1.00 0.00 H new ATOM 0 HG22 THR A 106 5.177 -2.982 -9.206 1.00 0.00 H new ATOM 0 HG23 THR A 106 6.143 -2.174 -7.948 1.00 0.00 H new ATOM 1593 N GLU A 107 6.040 -6.555 -5.750 1.00 0.00 N ATOM 1594 CA GLU A 107 5.990 -7.964 -5.388 1.00 0.00 C ATOM 1595 C GLU A 107 4.631 -8.318 -4.768 1.00 0.00 C ATOM 1596 O GLU A 107 4.050 -9.343 -5.133 1.00 0.00 O ATOM 1597 CB GLU A 107 7.162 -8.331 -4.465 1.00 0.00 C ATOM 1598 CG GLU A 107 8.527 -8.278 -5.174 1.00 0.00 C ATOM 1599 CD GLU A 107 8.631 -9.248 -6.363 1.00 0.00 C ATOM 1600 OE1 GLU A 107 8.753 -10.475 -6.145 1.00 0.00 O ATOM 1601 OE2 GLU A 107 8.608 -8.784 -7.526 1.00 0.00 O ATOM 0 H GLU A 107 6.767 -6.020 -5.276 1.00 0.00 H new ATOM 0 HA GLU A 107 6.095 -8.561 -6.294 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.174 -7.650 -3.614 1.00 0.00 H new ATOM 0 HB3 GLU A 107 7.004 -9.334 -4.068 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.707 -7.262 -5.526 1.00 0.00 H new ATOM 0 HG3 GLU A 107 9.312 -8.510 -4.454 1.00 0.00 H new ATOM 1608 N LYS A 108 4.076 -7.461 -3.900 1.00 0.00 N ATOM 1609 CA LYS A 108 2.748 -7.700 -3.338 1.00 0.00 C ATOM 1610 C LYS A 108 1.671 -7.629 -4.421 1.00 0.00 C ATOM 1611 O LYS A 108 0.834 -8.530 -4.487 1.00 0.00 O ATOM 1612 CB LYS A 108 2.434 -6.716 -2.196 1.00 0.00 C ATOM 1613 CG LYS A 108 3.292 -6.834 -0.923 1.00 0.00 C ATOM 1614 CD LYS A 108 3.486 -8.282 -0.446 1.00 0.00 C ATOM 1615 CE LYS A 108 3.961 -8.385 1.010 1.00 0.00 C ATOM 1616 NZ LYS A 108 2.924 -7.966 1.982 1.00 0.00 N ATOM 0 H LYS A 108 4.525 -6.604 -3.576 1.00 0.00 H new ATOM 0 HA LYS A 108 2.748 -8.707 -2.921 1.00 0.00 H new ATOM 0 HB2 LYS A 108 2.538 -5.702 -2.583 1.00 0.00 H new ATOM 0 HB3 LYS A 108 1.389 -6.844 -1.914 1.00 0.00 H new ATOM 0 HG2 LYS A 108 4.269 -6.388 -1.110 1.00 0.00 H new ATOM 0 HG3 LYS A 108 2.825 -6.257 -0.125 1.00 0.00 H new ATOM 0 HD2 LYS A 108 2.545 -8.821 -0.552 1.00 0.00 H new ATOM 0 HD3 LYS A 108 4.211 -8.776 -1.093 1.00 0.00 H new ATOM 0 HE2 LYS A 108 4.255 -9.413 1.220 1.00 0.00 H new ATOM 0 HE3 LYS A 108 4.848 -7.766 1.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 3.028 -8.515 2.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 3.034 -6.953 2.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 1.981 -8.135 1.578 1.00 0.00 H new ATOM 1630 N ILE A 109 1.670 -6.599 -5.273 1.00 0.00 N ATOM 1631 CA ILE A 109 0.626 -6.436 -6.287 1.00 0.00 C ATOM 1632 C ILE A 109 0.705 -7.602 -7.288 1.00 0.00 C ATOM 1633 O ILE A 109 -0.333 -8.170 -7.616 1.00 0.00 O ATOM 1634 CB ILE A 109 0.692 -5.036 -6.955 1.00 0.00 C ATOM 1635 CG1 ILE A 109 0.503 -3.887 -5.929 1.00 0.00 C ATOM 1636 CG2 ILE A 109 -0.421 -4.879 -8.016 1.00 0.00 C ATOM 1637 CD1 ILE A 109 1.022 -2.537 -6.445 1.00 0.00 C ATOM 0 H ILE A 109 2.380 -5.867 -5.280 1.00 0.00 H new ATOM 0 HA ILE A 109 -0.355 -6.476 -5.815 1.00 0.00 H new ATOM 0 HB ILE A 109 1.681 -4.969 -7.408 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -0.555 -3.795 -5.685 1.00 0.00 H new ATOM 0 HG13 ILE A 109 1.023 -4.142 -5.005 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -0.354 -3.890 -8.470 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -0.300 -5.641 -8.786 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -1.395 -4.995 -7.541 1.00 0.00 H new ATOM 0 HD11 ILE A 109 0.863 -1.772 -5.685 1.00 0.00 H new ATOM 0 HD12 ILE A 109 2.087 -2.616 -6.663 1.00 0.00 H new ATOM 0 HD13 ILE A 109 0.485 -2.264 -7.353 1.00 0.00 H new ATOM 1649 N LYS A 110 1.900 -8.027 -7.722 1.00 0.00 N ATOM 1650 CA LYS A 110 2.072 -9.196 -8.592 1.00 0.00 C ATOM 1651 C LYS A 110 1.449 -10.423 -7.931 1.00 0.00 C ATOM 1652 O LYS A 110 0.670 -11.127 -8.569 1.00 0.00 O ATOM 1653 CB LYS A 110 3.561 -9.494 -8.854 1.00 0.00 C ATOM 1654 CG LYS A 110 4.326 -8.513 -9.759 1.00 0.00 C ATOM 1655 CD LYS A 110 5.821 -8.865 -9.677 1.00 0.00 C ATOM 1656 CE LYS A 110 6.720 -7.853 -10.393 1.00 0.00 C ATOM 1657 NZ LYS A 110 8.155 -8.168 -10.192 1.00 0.00 N ATOM 0 H LYS A 110 2.777 -7.567 -7.478 1.00 0.00 H new ATOM 0 HA LYS A 110 1.583 -8.974 -9.541 1.00 0.00 H new ATOM 0 HB2 LYS A 110 4.072 -9.534 -7.892 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.634 -10.488 -9.296 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.972 -8.587 -10.787 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.157 -7.485 -9.437 1.00 0.00 H new ATOM 0 HD2 LYS A 110 6.116 -8.926 -8.630 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.979 -9.852 -10.111 1.00 0.00 H new ATOM 0 HE2 LYS A 110 6.492 -7.851 -11.459 1.00 0.00 H new ATOM 0 HE3 LYS A 110 6.510 -6.850 -10.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 8.735 -7.372 -10.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 8.337 -8.329 -9.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 8.401 -9.024 -10.729 1.00 0.00 H new ATOM 1786 N VAL A 118 3.510 -6.408 -13.041 1.00 0.00 N ATOM 1787 CA VAL A 118 3.677 -5.077 -12.477 1.00 0.00 C ATOM 1788 C VAL A 118 5.176 -4.763 -12.489 1.00 0.00 C ATOM 1789 O VAL A 118 5.988 -5.669 -12.284 1.00 0.00 O ATOM 1790 CB VAL A 118 3.110 -5.021 -11.037 1.00 0.00 C ATOM 1791 CG1 VAL A 118 2.756 -3.583 -10.642 1.00 0.00 C ATOM 1792 CG2 VAL A 118 1.857 -5.883 -10.802 1.00 0.00 C ATOM 0 HA VAL A 118 3.131 -4.338 -13.063 1.00 0.00 H new ATOM 0 HB VAL A 118 3.914 -5.426 -10.422 1.00 0.00 H new ATOM 0 HG11 VAL A 118 2.360 -3.572 -9.627 1.00 0.00 H new ATOM 0 HG12 VAL A 118 3.650 -2.962 -10.690 1.00 0.00 H new ATOM 0 HG13 VAL A 118 2.005 -3.191 -11.329 1.00 0.00 H new ATOM 0 HG21 VAL A 118 1.533 -5.780 -9.766 1.00 0.00 H new ATOM 0 HG22 VAL A 118 1.058 -5.553 -11.466 1.00 0.00 H new ATOM 0 HG23 VAL A 118 2.091 -6.928 -11.007 1.00 0.00 H new ATOM 1802 N THR A 119 5.552 -3.504 -12.686 1.00 0.00 N ATOM 1803 CA THR A 119 6.937 -3.048 -12.747 1.00 0.00 C ATOM 1804 C THR A 119 7.086 -1.755 -11.938 1.00 0.00 C ATOM 1805 O THR A 119 6.090 -1.143 -11.540 1.00 0.00 O ATOM 1806 CB THR A 119 7.348 -2.866 -14.225 1.00 0.00 C ATOM 1807 OG1 THR A 119 6.361 -2.149 -14.947 1.00 0.00 O ATOM 1808 CG2 THR A 119 7.572 -4.215 -14.910 1.00 0.00 C ATOM 0 H THR A 119 4.879 -2.748 -12.812 1.00 0.00 H new ATOM 0 HA THR A 119 7.605 -3.788 -12.306 1.00 0.00 H new ATOM 0 HB THR A 119 8.280 -2.301 -14.224 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.507 -1.187 -14.833 1.00 0.00 H new ATOM 0 HG21 THR A 119 7.860 -4.052 -15.949 1.00 0.00 H new ATOM 0 HG22 THR A 119 8.364 -4.758 -14.394 1.00 0.00 H new ATOM 0 HG23 THR A 119 6.651 -4.798 -14.876 1.00 0.00 H new ATOM 1816 N TRP A 120 8.324 -1.325 -11.682 1.00 0.00 N ATOM 1817 CA TRP A 120 8.586 -0.024 -11.077 1.00 0.00 C ATOM 1818 C TRP A 120 9.889 0.559 -11.613 1.00 0.00 C ATOM 1819 O TRP A 120 10.778 -0.179 -12.050 1.00 0.00 O ATOM 1820 CB TRP A 120 8.634 -0.104 -9.541 1.00 0.00 C ATOM 1821 CG TRP A 120 9.817 -0.782 -8.925 1.00 0.00 C ATOM 1822 CD1 TRP A 120 9.992 -2.117 -8.829 1.00 0.00 C ATOM 1823 CD2 TRP A 120 11.000 -0.178 -8.308 1.00 0.00 C ATOM 1824 NE1 TRP A 120 11.184 -2.390 -8.195 1.00 0.00 N ATOM 1825 CE2 TRP A 120 11.844 -1.234 -7.842 1.00 0.00 C ATOM 1826 CE3 TRP A 120 11.450 1.149 -8.093 1.00 0.00 C ATOM 1827 CZ2 TRP A 120 13.061 -0.993 -7.188 1.00 0.00 C ATOM 1828 CZ3 TRP A 120 12.672 1.393 -7.433 1.00 0.00 C ATOM 1829 CH2 TRP A 120 13.474 0.331 -6.980 1.00 0.00 C ATOM 0 H TRP A 120 9.164 -1.866 -11.887 1.00 0.00 H new ATOM 0 HA TRP A 120 7.760 0.633 -11.348 1.00 0.00 H new ATOM 0 HB2 TRP A 120 8.586 0.912 -9.149 1.00 0.00 H new ATOM 0 HB3 TRP A 120 7.736 -0.620 -9.202 1.00 0.00 H new ATOM 0 HD1 TRP A 120 9.300 -2.861 -9.195 1.00 0.00 H new ATOM 0 HE1 TRP A 120 11.534 -3.330 -8.010 1.00 0.00 H new ATOM 0 HE3 TRP A 120 10.852 1.980 -8.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 13.672 -1.816 -6.849 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 12.997 2.411 -7.273 1.00 0.00 H new ATOM 0 HH2 TRP A 120 14.406 0.534 -6.473 1.00 0.00 H new