USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 658 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 88 GLN : amide:sc= -0.0863 K(o=-0.78,f=-2.1) USER MOD Set 1.2: A 101 MET CE :methyl 155:sc= -0.691 (180deg=-2.94) USER MOD Set 2.1: A 61 MET CE :methyl -165:sc= -0.034 (180deg=-0.16) USER MOD Set 2.2: A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 176:sc= 0.907 (180deg=0.894) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= 0.382 K(o=0.38,f=-1.8!) USER MOD Single : A 43 GLN : amide:sc=-0.00319 K(o=-0.0032,f=-0.55) USER MOD Single : A 46 MET CE :methyl -166:sc= 0 (180deg=-0.154) USER MOD Single : A 48 THR OG1 : rot -170:sc= 0.13 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -139:sc= -0.401 (180deg=-2.44!) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.585 K(o=0.59,f=0) USER MOD Single : A 59 TYR OH : rot 175:sc= 1.24 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0.698 K(o=0.7,f=-0.048) USER MOD Single : A 68 GLN : amide:sc= 0.844 K(o=0.84,f=-0.02) USER MOD Single : A 69 GLN : amide:sc= -0.167 X(o=-0.17,f=0) USER MOD Single : A 71 GLN : amide:sc= 0.811 K(o=0.81,f=-4.3!) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 128:sc= 0.00493 USER MOD Single : A 89 SER OG : rot -149:sc= 1.02 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 160:sc= 1.27 (180deg=1.08) USER MOD Single : A 105 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 68 N VAL A 27 12.217 7.315 5.374 1.00 0.00 N ATOM 69 CA VAL A 27 13.617 7.075 4.966 1.00 0.00 C ATOM 70 C VAL A 27 14.100 8.228 4.068 1.00 0.00 C ATOM 71 O VAL A 27 13.294 9.055 3.640 1.00 0.00 O ATOM 72 CB VAL A 27 13.773 5.698 4.281 1.00 0.00 C ATOM 73 CG1 VAL A 27 13.521 4.561 5.277 1.00 0.00 C ATOM 74 CG2 VAL A 27 12.839 5.511 3.078 1.00 0.00 C ATOM 0 HA VAL A 27 14.248 7.050 5.855 1.00 0.00 H new ATOM 0 HB VAL A 27 14.800 5.666 3.918 1.00 0.00 H new ATOM 0 HG11 VAL A 27 13.637 3.602 4.772 1.00 0.00 H new ATOM 0 HG12 VAL A 27 14.238 4.629 6.095 1.00 0.00 H new ATOM 0 HG13 VAL A 27 12.509 4.642 5.674 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.999 4.524 2.643 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.803 5.600 3.405 1.00 0.00 H new ATOM 0 HG23 VAL A 27 13.051 6.276 2.331 1.00 0.00 H new ATOM 84 N ARG A 28 15.405 8.328 3.782 1.00 0.00 N ATOM 85 CA ARG A 28 15.977 9.372 2.901 1.00 0.00 C ATOM 86 C ARG A 28 16.275 8.817 1.487 1.00 0.00 C ATOM 87 O ARG A 28 16.923 7.773 1.390 1.00 0.00 O ATOM 88 CB ARG A 28 17.205 9.992 3.597 1.00 0.00 C ATOM 89 CG ARG A 28 17.852 11.134 2.789 1.00 0.00 C ATOM 90 CD ARG A 28 18.797 12.034 3.597 1.00 0.00 C ATOM 91 NE ARG A 28 19.808 11.271 4.357 1.00 0.00 N ATOM 92 CZ ARG A 28 19.830 11.029 5.658 1.00 0.00 C ATOM 93 NH1 ARG A 28 18.872 11.397 6.463 1.00 0.00 N ATOM 94 NH2 ARG A 28 20.836 10.391 6.185 1.00 0.00 N ATOM 0 H ARG A 28 16.104 7.685 4.155 1.00 0.00 H new ATOM 0 HA ARG A 28 15.251 10.169 2.741 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.907 10.371 4.574 1.00 0.00 H new ATOM 0 HB3 ARG A 28 17.947 9.213 3.770 1.00 0.00 H new ATOM 0 HG2 ARG A 28 18.407 10.703 1.956 1.00 0.00 H new ATOM 0 HG3 ARG A 28 17.062 11.751 2.361 1.00 0.00 H new ATOM 0 HD2 ARG A 28 19.302 12.722 2.920 1.00 0.00 H new ATOM 0 HD3 ARG A 28 18.211 12.640 4.288 1.00 0.00 H new ATOM 0 HE ARG A 28 20.581 10.885 3.815 1.00 0.00 H new ATOM 0 HH11 ARG A 28 18.060 11.894 6.096 1.00 0.00 H new ATOM 0 HH12 ARG A 28 18.934 11.187 7.459 1.00 0.00 H new ATOM 0 HH21 ARG A 28 21.607 10.078 5.595 1.00 0.00 H new ATOM 0 HH22 ARG A 28 20.853 10.205 7.188 1.00 0.00 H new ATOM 108 N PRO A 29 15.828 9.485 0.398 1.00 0.00 N ATOM 109 CA PRO A 29 16.166 9.113 -0.984 1.00 0.00 C ATOM 110 C PRO A 29 17.607 9.511 -1.356 1.00 0.00 C ATOM 111 O PRO A 29 18.356 10.026 -0.522 1.00 0.00 O ATOM 112 CB PRO A 29 15.111 9.828 -1.836 1.00 0.00 C ATOM 113 CG PRO A 29 14.856 11.118 -1.062 1.00 0.00 C ATOM 114 CD PRO A 29 14.939 10.646 0.388 1.00 0.00 C ATOM 0 HA PRO A 29 16.147 8.035 -1.141 1.00 0.00 H new ATOM 0 HB2 PRO A 29 15.475 10.028 -2.844 1.00 0.00 H new ATOM 0 HB3 PRO A 29 14.204 9.233 -1.937 1.00 0.00 H new ATOM 0 HG2 PRO A 29 15.602 11.881 -1.285 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.882 11.547 -1.295 1.00 0.00 H new ATOM 0 HD2 PRO A 29 15.326 11.436 1.031 1.00 0.00 H new ATOM 0 HD3 PRO A 29 13.952 10.382 0.767 1.00 0.00 H new ATOM 122 N LYS A 30 18.015 9.279 -2.613 1.00 0.00 N ATOM 123 CA LYS A 30 19.364 9.603 -3.095 1.00 0.00 C ATOM 124 C LYS A 30 19.605 11.119 -3.053 1.00 0.00 C ATOM 125 O LYS A 30 18.679 11.905 -3.251 1.00 0.00 O ATOM 126 CB LYS A 30 19.546 8.945 -4.474 1.00 0.00 C ATOM 127 CG LYS A 30 21.009 8.885 -4.930 1.00 0.00 C ATOM 128 CD LYS A 30 21.369 7.589 -5.672 1.00 0.00 C ATOM 129 CE LYS A 30 21.427 6.383 -4.719 1.00 0.00 C ATOM 130 NZ LYS A 30 21.626 5.112 -5.467 1.00 0.00 N ATOM 0 H LYS A 30 17.416 8.860 -3.325 1.00 0.00 H new ATOM 0 HA LYS A 30 20.138 9.195 -2.445 1.00 0.00 H new ATOM 0 HB2 LYS A 30 19.141 7.934 -4.442 1.00 0.00 H new ATOM 0 HB3 LYS A 30 18.965 9.498 -5.212 1.00 0.00 H new ATOM 0 HG2 LYS A 30 21.213 9.735 -5.581 1.00 0.00 H new ATOM 0 HG3 LYS A 30 21.657 8.987 -4.059 1.00 0.00 H new ATOM 0 HD2 LYS A 30 20.632 7.400 -6.453 1.00 0.00 H new ATOM 0 HD3 LYS A 30 22.333 7.709 -6.166 1.00 0.00 H new ATOM 0 HE2 LYS A 30 22.240 6.519 -4.006 1.00 0.00 H new ATOM 0 HE3 LYS A 30 20.504 6.328 -4.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 21.729 4.326 -4.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 20.804 4.938 -6.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 22.484 5.183 -6.050 1.00 0.00 H new ATOM 144 N LEU A 31 20.848 11.538 -2.816 1.00 0.00 N ATOM 145 CA LEU A 31 21.185 12.940 -2.502 1.00 0.00 C ATOM 146 C LEU A 31 20.719 13.978 -3.545 1.00 0.00 C ATOM 147 O LEU A 31 20.069 14.940 -3.135 1.00 0.00 O ATOM 148 CB LEU A 31 22.680 13.067 -2.135 1.00 0.00 C ATOM 149 CG LEU A 31 23.132 12.241 -0.911 1.00 0.00 C ATOM 150 CD1 LEU A 31 24.623 12.474 -0.662 1.00 0.00 C ATOM 151 CD2 LEU A 31 22.374 12.604 0.370 1.00 0.00 C ATOM 0 H LEU A 31 21.658 10.918 -2.835 1.00 0.00 H new ATOM 0 HA LEU A 31 20.595 13.203 -1.624 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.275 12.765 -2.996 1.00 0.00 H new ATOM 0 HB3 LEU A 31 22.903 14.117 -1.946 1.00 0.00 H new ATOM 0 HG LEU A 31 22.920 11.197 -1.144 1.00 0.00 H new ATOM 0 HD11 LEU A 31 24.943 11.891 0.202 1.00 0.00 H new ATOM 0 HD12 LEU A 31 25.191 12.164 -1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 31 24.799 13.533 -0.471 1.00 0.00 H new ATOM 0 HD21 LEU A 31 22.737 11.990 1.194 1.00 0.00 H new ATOM 0 HD22 LEU A 31 22.537 13.656 0.603 1.00 0.00 H new ATOM 0 HD23 LEU A 31 21.309 12.425 0.226 1.00 0.00 H new ATOM 163 N PRO A 32 20.899 13.797 -4.871 1.00 0.00 N ATOM 164 CA PRO A 32 20.355 14.744 -5.851 1.00 0.00 C ATOM 165 C PRO A 32 18.818 14.798 -5.874 1.00 0.00 C ATOM 166 O PRO A 32 18.261 15.836 -6.213 1.00 0.00 O ATOM 167 CB PRO A 32 20.930 14.327 -7.211 1.00 0.00 C ATOM 168 CG PRO A 32 22.191 13.552 -6.836 1.00 0.00 C ATOM 169 CD PRO A 32 21.784 12.855 -5.541 1.00 0.00 C ATOM 0 HA PRO A 32 20.647 15.759 -5.582 1.00 0.00 H new ATOM 0 HB2 PRO A 32 20.229 13.708 -7.771 1.00 0.00 H new ATOM 0 HB3 PRO A 32 21.159 15.192 -7.833 1.00 0.00 H new ATOM 0 HG2 PRO A 32 22.472 12.837 -7.609 1.00 0.00 H new ATOM 0 HG3 PRO A 32 23.044 14.214 -6.689 1.00 0.00 H new ATOM 0 HD2 PRO A 32 21.277 11.911 -5.743 1.00 0.00 H new ATOM 0 HD3 PRO A 32 22.654 12.624 -4.926 1.00 0.00 H new ATOM 177 N LEU A 33 18.108 13.744 -5.445 1.00 0.00 N ATOM 178 CA LEU A 33 16.647 13.791 -5.283 1.00 0.00 C ATOM 179 C LEU A 33 16.251 14.754 -4.153 1.00 0.00 C ATOM 180 O LEU A 33 15.338 15.556 -4.318 1.00 0.00 O ATOM 181 CB LEU A 33 16.082 12.371 -5.047 1.00 0.00 C ATOM 182 CG LEU A 33 14.684 12.185 -5.669 1.00 0.00 C ATOM 183 CD1 LEU A 33 14.808 11.937 -7.171 1.00 0.00 C ATOM 184 CD2 LEU A 33 13.956 10.985 -5.073 1.00 0.00 C ATOM 0 H LEU A 33 18.524 12.845 -5.203 1.00 0.00 H new ATOM 0 HA LEU A 33 16.208 14.174 -6.204 1.00 0.00 H new ATOM 0 HB2 LEU A 33 16.766 11.636 -5.470 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.029 12.177 -3.976 1.00 0.00 H new ATOM 0 HG LEU A 33 14.123 13.096 -5.461 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.815 11.807 -7.601 1.00 0.00 H new ATOM 0 HD12 LEU A 33 15.298 12.789 -7.641 1.00 0.00 H new ATOM 0 HD13 LEU A 33 15.399 11.038 -7.344 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.975 10.887 -5.537 1.00 0.00 H new ATOM 0 HD22 LEU A 33 14.536 10.080 -5.256 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.837 11.128 -3.999 1.00 0.00 H new ATOM 196 N LEU A 34 16.999 14.755 -3.045 1.00 0.00 N ATOM 197 CA LEU A 34 16.858 15.741 -1.963 1.00 0.00 C ATOM 198 C LEU A 34 17.186 17.162 -2.452 1.00 0.00 C ATOM 199 O LEU A 34 16.462 18.097 -2.119 1.00 0.00 O ATOM 200 CB LEU A 34 17.693 15.248 -0.766 1.00 0.00 C ATOM 201 CG LEU A 34 17.607 16.073 0.538 1.00 0.00 C ATOM 202 CD1 LEU A 34 17.941 15.158 1.716 1.00 0.00 C ATOM 203 CD2 LEU A 34 18.629 17.210 0.559 1.00 0.00 C ATOM 0 H LEU A 34 17.729 14.064 -2.870 1.00 0.00 H new ATOM 0 HA LEU A 34 15.824 15.822 -1.627 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.390 14.225 -0.540 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.738 15.210 -1.075 1.00 0.00 H new ATOM 0 HG LEU A 34 16.601 16.488 0.601 1.00 0.00 H new ATOM 0 HD11 LEU A 34 17.885 15.726 2.645 1.00 0.00 H new ATOM 0 HD12 LEU A 34 17.228 14.334 1.750 1.00 0.00 H new ATOM 0 HD13 LEU A 34 18.949 14.761 1.594 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.536 17.766 1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 34 19.635 16.797 0.482 1.00 0.00 H new ATOM 0 HD23 LEU A 34 18.446 17.879 -0.282 1.00 0.00 H new ATOM 215 N LYS A 35 18.189 17.329 -3.326 1.00 0.00 N ATOM 216 CA LYS A 35 18.460 18.622 -3.998 1.00 0.00 C ATOM 217 C LYS A 35 17.281 19.096 -4.862 1.00 0.00 C ATOM 218 O LYS A 35 16.904 20.260 -4.769 1.00 0.00 O ATOM 219 CB LYS A 35 19.747 18.576 -4.843 1.00 0.00 C ATOM 220 CG LYS A 35 21.039 18.135 -4.134 1.00 0.00 C ATOM 221 CD LYS A 35 21.533 19.046 -3.005 1.00 0.00 C ATOM 222 CE LYS A 35 20.845 18.803 -1.649 1.00 0.00 C ATOM 223 NZ LYS A 35 21.400 19.702 -0.595 1.00 0.00 N ATOM 0 H LYS A 35 18.833 16.584 -3.590 1.00 0.00 H new ATOM 0 HA LYS A 35 18.600 19.347 -3.196 1.00 0.00 H new ATOM 0 HB2 LYS A 35 19.576 17.902 -5.683 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.913 19.569 -5.260 1.00 0.00 H new ATOM 0 HG2 LYS A 35 20.883 17.137 -3.726 1.00 0.00 H new ATOM 0 HG3 LYS A 35 21.829 18.054 -4.880 1.00 0.00 H new ATOM 0 HD2 LYS A 35 22.607 18.906 -2.885 1.00 0.00 H new ATOM 0 HD3 LYS A 35 21.378 20.085 -3.297 1.00 0.00 H new ATOM 0 HE2 LYS A 35 19.773 18.971 -1.747 1.00 0.00 H new ATOM 0 HE3 LYS A 35 20.979 17.763 -1.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 20.918 19.517 0.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 22.419 19.523 -0.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 21.250 20.694 -0.870 1.00 0.00 H new ATOM 237 N ILE A 36 16.647 18.211 -5.636 1.00 0.00 N ATOM 238 CA ILE A 36 15.433 18.519 -6.419 1.00 0.00 C ATOM 239 C ILE A 36 14.259 18.907 -5.508 1.00 0.00 C ATOM 240 O ILE A 36 13.563 19.883 -5.780 1.00 0.00 O ATOM 241 CB ILE A 36 15.076 17.322 -7.332 1.00 0.00 C ATOM 242 CG1 ILE A 36 16.177 17.120 -8.397 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.716 17.513 -8.031 1.00 0.00 C ATOM 244 CD1 ILE A 36 16.099 15.758 -9.091 1.00 0.00 C ATOM 0 H ILE A 36 16.961 17.246 -5.742 1.00 0.00 H new ATOM 0 HA ILE A 36 15.638 19.383 -7.051 1.00 0.00 H new ATOM 0 HB ILE A 36 15.006 16.440 -6.696 1.00 0.00 H new ATOM 0 HG12 ILE A 36 16.098 17.908 -9.146 1.00 0.00 H new ATOM 0 HG13 ILE A 36 17.154 17.225 -7.925 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.506 16.649 -8.661 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.932 17.613 -7.280 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.746 18.412 -8.646 1.00 0.00 H new ATOM 0 HD11 ILE A 36 16.899 15.678 -9.827 1.00 0.00 H new ATOM 0 HD12 ILE A 36 16.207 14.966 -8.350 1.00 0.00 H new ATOM 0 HD13 ILE A 36 15.135 15.659 -9.590 1.00 0.00 H new ATOM 256 N LEU A 37 14.061 18.198 -4.393 1.00 0.00 N ATOM 257 CA LEU A 37 13.017 18.514 -3.408 1.00 0.00 C ATOM 258 C LEU A 37 13.249 19.888 -2.755 1.00 0.00 C ATOM 259 O LEU A 37 12.308 20.664 -2.589 1.00 0.00 O ATOM 260 CB LEU A 37 12.954 17.373 -2.371 1.00 0.00 C ATOM 261 CG LEU A 37 12.447 16.048 -2.974 1.00 0.00 C ATOM 262 CD1 LEU A 37 12.762 14.854 -2.077 1.00 0.00 C ATOM 263 CD2 LEU A 37 10.940 16.088 -3.180 1.00 0.00 C ATOM 0 H LEU A 37 14.623 17.383 -4.145 1.00 0.00 H new ATOM 0 HA LEU A 37 12.052 18.586 -3.909 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.946 17.218 -1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.299 17.668 -1.551 1.00 0.00 H new ATOM 0 HG LEU A 37 12.962 15.931 -3.928 1.00 0.00 H new ATOM 0 HD11 LEU A 37 12.387 13.942 -2.541 1.00 0.00 H new ATOM 0 HD12 LEU A 37 13.841 14.775 -1.942 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.284 14.991 -1.107 1.00 0.00 H new ATOM 0 HD21 LEU A 37 10.606 15.142 -3.606 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.446 16.249 -2.222 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.687 16.902 -3.860 1.00 0.00 H new ATOM 275 N HIS A 38 14.505 20.241 -2.471 1.00 0.00 N ATOM 276 CA HIS A 38 14.878 21.577 -1.988 1.00 0.00 C ATOM 277 C HIS A 38 14.671 22.654 -3.069 1.00 0.00 C ATOM 278 O HIS A 38 14.111 23.713 -2.780 1.00 0.00 O ATOM 279 CB HIS A 38 16.320 21.553 -1.459 1.00 0.00 C ATOM 280 CG HIS A 38 16.529 20.852 -0.125 1.00 0.00 C ATOM 281 ND1 HIS A 38 17.586 21.124 0.752 1.00 0.00 N ATOM 282 CD2 HIS A 38 15.772 19.845 0.414 1.00 0.00 C ATOM 283 CE1 HIS A 38 17.438 20.284 1.791 1.00 0.00 C ATOM 284 NE2 HIS A 38 16.367 19.493 1.608 1.00 0.00 N ATOM 0 H HIS A 38 15.297 19.606 -2.569 1.00 0.00 H new ATOM 0 HA HIS A 38 14.218 21.848 -1.164 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.951 21.069 -2.204 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.669 22.581 -1.365 1.00 0.00 H new ATOM 0 HD2 HIS A 38 14.881 19.410 -0.014 1.00 0.00 H new ATOM 0 HE1 HIS A 38 18.089 20.250 2.652 1.00 0.00 H new ATOM 0 HE2 HIS A 38 16.049 18.760 2.242 1.00 0.00 H new ATOM 292 N ALA A 39 15.017 22.370 -4.331 1.00 0.00 N ATOM 293 CA ALA A 39 14.759 23.253 -5.476 1.00 0.00 C ATOM 294 C ALA A 39 13.257 23.480 -5.745 1.00 0.00 C ATOM 295 O ALA A 39 12.874 24.536 -6.252 1.00 0.00 O ATOM 296 CB ALA A 39 15.431 22.660 -6.718 1.00 0.00 C ATOM 0 H ALA A 39 15.492 21.505 -4.590 1.00 0.00 H new ATOM 0 HA ALA A 39 15.177 24.231 -5.237 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.246 23.307 -7.575 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.505 22.581 -6.548 1.00 0.00 H new ATOM 0 HB3 ALA A 39 15.021 21.670 -6.916 1.00 0.00 H new ATOM 302 N ALA A 40 12.400 22.525 -5.363 1.00 0.00 N ATOM 303 CA ALA A 40 10.943 22.668 -5.393 1.00 0.00 C ATOM 304 C ALA A 40 10.396 23.635 -4.314 1.00 0.00 C ATOM 305 O ALA A 40 9.199 23.931 -4.300 1.00 0.00 O ATOM 306 CB ALA A 40 10.307 21.279 -5.247 1.00 0.00 C ATOM 0 H ALA A 40 12.708 21.616 -5.018 1.00 0.00 H new ATOM 0 HA ALA A 40 10.675 23.114 -6.351 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.221 21.372 -5.268 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.632 20.642 -6.069 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.615 20.835 -4.300 1.00 0.00 H new ATOM 312 N GLY A 41 11.257 24.114 -3.405 1.00 0.00 N ATOM 313 CA GLY A 41 10.917 25.013 -2.295 1.00 0.00 C ATOM 314 C GLY A 41 10.629 24.315 -0.957 1.00 0.00 C ATOM 315 O GLY A 41 10.204 24.983 -0.010 1.00 0.00 O ATOM 0 H GLY A 41 12.249 23.876 -3.424 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.738 25.715 -2.152 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.042 25.599 -2.577 1.00 0.00 H new ATOM 319 N ALA A 42 10.845 22.997 -0.854 1.00 0.00 N ATOM 320 CA ALA A 42 10.645 22.227 0.377 1.00 0.00 C ATOM 321 C ALA A 42 11.906 22.181 1.268 1.00 0.00 C ATOM 322 O ALA A 42 13.005 22.562 0.857 1.00 0.00 O ATOM 323 CB ALA A 42 10.161 20.819 -0.001 1.00 0.00 C ATOM 0 H ALA A 42 11.169 22.429 -1.637 1.00 0.00 H new ATOM 0 HA ALA A 42 9.888 22.727 0.981 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.007 20.232 0.904 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.222 20.892 -0.550 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.910 20.332 -0.626 1.00 0.00 H new ATOM 329 N GLN A 43 11.742 21.665 2.489 1.00 0.00 N ATOM 330 CA GLN A 43 12.821 21.317 3.422 1.00 0.00 C ATOM 331 C GLN A 43 12.622 19.873 3.900 1.00 0.00 C ATOM 332 O GLN A 43 11.497 19.453 4.184 1.00 0.00 O ATOM 333 CB GLN A 43 12.864 22.333 4.582 1.00 0.00 C ATOM 334 CG GLN A 43 13.725 21.938 5.802 1.00 0.00 C ATOM 335 CD GLN A 43 15.197 21.628 5.507 1.00 0.00 C ATOM 336 OE1 GLN A 43 15.751 21.947 4.464 1.00 0.00 O ATOM 337 NE2 GLN A 43 15.886 20.962 6.411 1.00 0.00 N ATOM 0 H GLN A 43 10.817 21.470 2.872 1.00 0.00 H new ATOM 0 HA GLN A 43 13.790 21.370 2.926 1.00 0.00 H new ATOM 0 HB2 GLN A 43 13.235 23.281 4.193 1.00 0.00 H new ATOM 0 HB3 GLN A 43 11.844 22.506 4.924 1.00 0.00 H new ATOM 0 HG2 GLN A 43 13.683 22.748 6.530 1.00 0.00 H new ATOM 0 HG3 GLN A 43 13.276 21.063 6.272 1.00 0.00 H new ATOM 0 HE21 GLN A 43 15.444 20.686 7.288 1.00 0.00 H new ATOM 0 HE22 GLN A 43 16.862 20.722 6.234 1.00 0.00 H new ATOM 346 N GLY A 44 13.717 19.117 3.998 1.00 0.00 N ATOM 347 CA GLY A 44 13.673 17.720 4.431 1.00 0.00 C ATOM 348 C GLY A 44 15.007 16.984 4.391 1.00 0.00 C ATOM 349 O GLY A 44 15.859 17.259 3.547 1.00 0.00 O ATOM 0 H GLY A 44 14.655 19.454 3.781 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.287 17.684 5.450 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.962 17.184 3.802 1.00 0.00 H new ATOM 353 N GLU A 45 15.135 16.007 5.291 1.00 0.00 N ATOM 354 CA GLU A 45 16.234 15.030 5.390 1.00 0.00 C ATOM 355 C GLU A 45 15.707 13.574 5.373 1.00 0.00 C ATOM 356 O GLU A 45 16.421 12.644 5.739 1.00 0.00 O ATOM 357 CB GLU A 45 17.058 15.325 6.658 1.00 0.00 C ATOM 358 CG GLU A 45 17.772 16.687 6.647 1.00 0.00 C ATOM 359 CD GLU A 45 18.850 16.831 5.549 1.00 0.00 C ATOM 360 OE1 GLU A 45 19.540 15.836 5.214 1.00 0.00 O ATOM 361 OE2 GLU A 45 19.060 17.967 5.055 1.00 0.00 O ATOM 0 H GLU A 45 14.433 15.864 6.017 1.00 0.00 H new ATOM 0 HA GLU A 45 16.880 15.131 4.518 1.00 0.00 H new ATOM 0 HB2 GLU A 45 16.398 15.281 7.524 1.00 0.00 H new ATOM 0 HB3 GLU A 45 17.802 14.539 6.784 1.00 0.00 H new ATOM 0 HG2 GLU A 45 17.028 17.473 6.515 1.00 0.00 H new ATOM 0 HG3 GLU A 45 18.237 16.848 7.620 1.00 0.00 H new ATOM 368 N MET A 46 14.434 13.384 5.003 1.00 0.00 N ATOM 369 CA MET A 46 13.631 12.146 5.045 1.00 0.00 C ATOM 370 C MET A 46 12.254 12.406 4.390 1.00 0.00 C ATOM 371 O MET A 46 11.631 13.428 4.683 1.00 0.00 O ATOM 372 CB MET A 46 13.419 11.721 6.515 1.00 0.00 C ATOM 373 CG MET A 46 14.319 10.551 6.933 1.00 0.00 C ATOM 374 SD MET A 46 14.537 10.354 8.723 1.00 0.00 S ATOM 375 CE MET A 46 15.610 11.779 9.070 1.00 0.00 C ATOM 0 H MET A 46 13.887 14.161 4.632 1.00 0.00 H new ATOM 0 HA MET A 46 14.153 11.356 4.505 1.00 0.00 H new ATOM 0 HB2 MET A 46 13.613 12.573 7.166 1.00 0.00 H new ATOM 0 HB3 MET A 46 12.376 11.440 6.660 1.00 0.00 H new ATOM 0 HG2 MET A 46 13.901 9.629 6.529 1.00 0.00 H new ATOM 0 HG3 MET A 46 15.299 10.684 6.475 1.00 0.00 H new ATOM 0 HE1 MET A 46 16.043 11.675 10.065 1.00 0.00 H new ATOM 0 HE2 MET A 46 16.409 11.822 8.329 1.00 0.00 H new ATOM 0 HE3 MET A 46 15.023 12.696 9.024 1.00 0.00 H new ATOM 385 N PHE A 47 11.774 11.506 3.518 1.00 0.00 N ATOM 386 CA PHE A 47 10.532 11.686 2.738 1.00 0.00 C ATOM 387 C PHE A 47 9.872 10.347 2.327 1.00 0.00 C ATOM 388 O PHE A 47 10.575 9.395 1.982 1.00 0.00 O ATOM 389 CB PHE A 47 10.836 12.448 1.433 1.00 0.00 C ATOM 390 CG PHE A 47 11.541 13.794 1.504 1.00 0.00 C ATOM 391 CD1 PHE A 47 12.950 13.854 1.491 1.00 0.00 C ATOM 392 CD2 PHE A 47 10.798 14.990 1.464 1.00 0.00 C ATOM 393 CE1 PHE A 47 13.609 15.095 1.430 1.00 0.00 C ATOM 394 CE2 PHE A 47 11.456 16.232 1.393 1.00 0.00 C ATOM 395 CZ PHE A 47 12.861 16.284 1.362 1.00 0.00 C ATOM 0 H PHE A 47 12.242 10.619 3.330 1.00 0.00 H new ATOM 0 HA PHE A 47 9.851 12.234 3.389 1.00 0.00 H new ATOM 0 HB2 PHE A 47 11.441 11.794 0.805 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.889 12.601 0.915 1.00 0.00 H new ATOM 0 HD1 PHE A 47 13.526 12.941 1.528 1.00 0.00 H new ATOM 0 HD2 PHE A 47 9.719 14.954 1.488 1.00 0.00 H new ATOM 0 HE1 PHE A 47 14.688 15.135 1.435 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.881 17.146 1.362 1.00 0.00 H new ATOM 0 HZ PHE A 47 13.365 17.236 1.286 1.00 0.00 H new ATOM 405 N THR A 48 8.534 10.263 2.304 1.00 0.00 N ATOM 406 CA THR A 48 7.784 9.130 1.703 1.00 0.00 C ATOM 407 C THR A 48 7.574 9.340 0.195 1.00 0.00 C ATOM 408 O THR A 48 7.763 10.451 -0.292 1.00 0.00 O ATOM 409 CB THR A 48 6.396 8.969 2.342 1.00 0.00 C ATOM 410 OG1 THR A 48 5.611 10.098 2.032 1.00 0.00 O ATOM 411 CG2 THR A 48 6.419 8.817 3.856 1.00 0.00 C ATOM 0 H THR A 48 7.929 10.981 2.703 1.00 0.00 H new ATOM 0 HA THR A 48 8.385 8.238 1.883 1.00 0.00 H new ATOM 0 HB THR A 48 5.983 8.048 1.931 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.787 10.079 2.561 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.400 8.709 4.226 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.998 7.933 4.124 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.876 9.700 4.303 1.00 0.00 H new ATOM 419 N VAL A 49 7.095 8.338 -0.564 1.00 0.00 N ATOM 420 CA VAL A 49 6.657 8.554 -1.969 1.00 0.00 C ATOM 421 C VAL A 49 5.587 9.655 -2.033 1.00 0.00 C ATOM 422 O VAL A 49 5.711 10.575 -2.837 1.00 0.00 O ATOM 423 CB VAL A 49 6.198 7.225 -2.629 1.00 0.00 C ATOM 424 CG1 VAL A 49 5.190 7.322 -3.786 1.00 0.00 C ATOM 425 CG2 VAL A 49 7.411 6.501 -3.224 1.00 0.00 C ATOM 0 H VAL A 49 6.999 7.376 -0.238 1.00 0.00 H new ATOM 0 HA VAL A 49 7.509 8.901 -2.553 1.00 0.00 H new ATOM 0 HB VAL A 49 5.702 6.711 -1.806 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.958 6.322 -4.151 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.276 7.800 -3.433 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.620 7.913 -4.595 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.087 5.569 -3.687 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.881 7.135 -3.976 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.129 6.283 -2.433 1.00 0.00 H new ATOM 435 N LYS A 50 4.595 9.661 -1.129 1.00 0.00 N ATOM 436 CA LYS A 50 3.548 10.686 -1.071 1.00 0.00 C ATOM 437 C LYS A 50 4.108 12.108 -0.911 1.00 0.00 C ATOM 438 O LYS A 50 3.563 13.042 -1.497 1.00 0.00 O ATOM 439 CB LYS A 50 2.610 10.325 0.090 1.00 0.00 C ATOM 440 CG LYS A 50 1.732 9.081 -0.137 1.00 0.00 C ATOM 441 CD LYS A 50 0.670 9.282 -1.230 1.00 0.00 C ATOM 442 CE LYS A 50 -0.263 8.064 -1.287 1.00 0.00 C ATOM 443 NZ LYS A 50 -1.344 8.244 -2.294 1.00 0.00 N ATOM 0 H LYS A 50 4.499 8.944 -0.410 1.00 0.00 H new ATOM 0 HA LYS A 50 3.008 10.696 -2.018 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.211 10.167 0.985 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.960 11.177 0.289 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.369 8.239 -0.408 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.237 8.818 0.798 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.092 10.183 -1.026 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.154 9.425 -2.196 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.316 7.173 -1.530 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.705 7.898 -0.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.953 7.401 -2.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.912 9.080 -2.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.923 8.377 -3.236 1.00 0.00 H new ATOM 457 N GLU A 51 5.211 12.275 -0.179 1.00 0.00 N ATOM 458 CA GLU A 51 5.923 13.557 -0.059 1.00 0.00 C ATOM 459 C GLU A 51 6.842 13.854 -1.257 1.00 0.00 C ATOM 460 O GLU A 51 6.809 14.965 -1.791 1.00 0.00 O ATOM 461 CB GLU A 51 6.727 13.590 1.250 1.00 0.00 C ATOM 462 CG GLU A 51 5.835 13.569 2.498 1.00 0.00 C ATOM 463 CD GLU A 51 6.683 13.535 3.783 1.00 0.00 C ATOM 464 OE1 GLU A 51 7.424 12.547 4.000 1.00 0.00 O ATOM 465 OE2 GLU A 51 6.606 14.492 4.593 1.00 0.00 O ATOM 0 H GLU A 51 5.642 11.520 0.354 1.00 0.00 H new ATOM 0 HA GLU A 51 5.164 14.340 -0.049 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.402 12.735 1.278 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.347 14.486 1.267 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.193 14.450 2.505 1.00 0.00 H new ATOM 0 HG3 GLU A 51 5.181 12.698 2.467 1.00 0.00 H new ATOM 472 N VAL A 52 7.641 12.879 -1.713 1.00 0.00 N ATOM 473 CA VAL A 52 8.597 13.062 -2.821 1.00 0.00 C ATOM 474 C VAL A 52 7.870 13.435 -4.112 1.00 0.00 C ATOM 475 O VAL A 52 8.245 14.403 -4.766 1.00 0.00 O ATOM 476 CB VAL A 52 9.487 11.818 -3.050 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.387 11.955 -4.286 1.00 0.00 C ATOM 478 CG2 VAL A 52 10.440 11.566 -1.878 1.00 0.00 C ATOM 0 H VAL A 52 7.644 11.936 -1.324 1.00 0.00 H new ATOM 0 HA VAL A 52 9.254 13.882 -2.531 1.00 0.00 H new ATOM 0 HB VAL A 52 8.777 11.000 -3.171 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.990 11.054 -4.399 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.769 12.091 -5.173 1.00 0.00 H new ATOM 0 HG13 VAL A 52 11.043 12.817 -4.165 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.044 10.683 -2.084 1.00 0.00 H new ATOM 0 HG22 VAL A 52 11.092 12.430 -1.747 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.863 11.406 -0.967 1.00 0.00 H new ATOM 488 N MET A 53 6.821 12.698 -4.482 1.00 0.00 N ATOM 489 CA MET A 53 6.134 12.859 -5.772 1.00 0.00 C ATOM 490 C MET A 53 5.405 14.185 -5.864 1.00 0.00 C ATOM 491 O MET A 53 5.406 14.833 -6.905 1.00 0.00 O ATOM 492 CB MET A 53 5.095 11.754 -5.971 1.00 0.00 C ATOM 493 CG MET A 53 5.552 10.303 -5.826 1.00 0.00 C ATOM 494 SD MET A 53 7.285 9.844 -5.487 1.00 0.00 S ATOM 495 CE MET A 53 8.041 10.381 -7.023 1.00 0.00 C ATOM 0 H MET A 53 6.419 11.968 -3.894 1.00 0.00 H new ATOM 0 HA MET A 53 6.908 12.811 -6.538 1.00 0.00 H new ATOM 0 HB2 MET A 53 4.288 11.922 -5.258 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.669 11.872 -6.968 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.953 9.867 -5.027 1.00 0.00 H new ATOM 0 HG3 MET A 53 5.271 9.795 -6.748 1.00 0.00 H new ATOM 0 HE1 MET A 53 8.777 9.644 -7.344 1.00 0.00 H new ATOM 0 HE2 MET A 53 7.273 10.484 -7.790 1.00 0.00 H new ATOM 0 HE3 MET A 53 8.533 11.342 -6.870 1.00 0.00 H new ATOM 505 N HIS A 54 4.811 14.580 -4.746 1.00 0.00 N ATOM 506 CA HIS A 54 4.116 15.870 -4.610 1.00 0.00 C ATOM 507 C HIS A 54 5.047 17.049 -4.949 1.00 0.00 C ATOM 508 O HIS A 54 4.739 17.852 -5.835 1.00 0.00 O ATOM 509 CB HIS A 54 3.519 16.000 -3.203 1.00 0.00 C ATOM 510 CG HIS A 54 2.761 17.290 -3.001 1.00 0.00 C ATOM 511 ND1 HIS A 54 3.284 18.464 -2.450 1.00 0.00 N ATOM 512 CD2 HIS A 54 1.460 17.509 -3.351 1.00 0.00 C ATOM 513 CE1 HIS A 54 2.285 19.363 -2.478 1.00 0.00 C ATOM 514 NE2 HIS A 54 1.178 18.816 -3.013 1.00 0.00 N ATOM 0 H HIS A 54 4.793 14.016 -3.897 1.00 0.00 H new ATOM 0 HA HIS A 54 3.298 15.901 -5.330 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.850 15.159 -3.019 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.320 15.937 -2.467 1.00 0.00 H new ATOM 0 HD2 HIS A 54 0.784 16.798 -3.804 1.00 0.00 H new ATOM 0 HE1 HIS A 54 2.360 20.380 -2.122 1.00 0.00 H new ATOM 0 HE2 HIS A 54 0.283 19.287 -3.146 1.00 0.00 H new ATOM 522 N TYR A 55 6.225 17.110 -4.321 1.00 0.00 N ATOM 523 CA TYR A 55 7.230 18.140 -4.602 1.00 0.00 C ATOM 524 C TYR A 55 7.978 17.936 -5.934 1.00 0.00 C ATOM 525 O TYR A 55 8.330 18.927 -6.569 1.00 0.00 O ATOM 526 CB TYR A 55 8.187 18.255 -3.412 1.00 0.00 C ATOM 527 CG TYR A 55 7.577 18.885 -2.171 1.00 0.00 C ATOM 528 CD1 TYR A 55 7.077 20.203 -2.218 1.00 0.00 C ATOM 529 CD2 TYR A 55 7.526 18.159 -0.964 1.00 0.00 C ATOM 530 CE1 TYR A 55 6.511 20.788 -1.068 1.00 0.00 C ATOM 531 CE2 TYR A 55 6.965 18.742 0.189 1.00 0.00 C ATOM 532 CZ TYR A 55 6.453 20.057 0.140 1.00 0.00 C ATOM 533 OH TYR A 55 5.915 20.613 1.262 1.00 0.00 O ATOM 0 H TYR A 55 6.509 16.445 -3.602 1.00 0.00 H new ATOM 0 HA TYR A 55 6.702 19.085 -4.732 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.551 17.260 -3.157 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.053 18.843 -3.714 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.128 20.766 -3.138 1.00 0.00 H new ATOM 0 HD2 TYR A 55 7.918 17.153 -0.923 1.00 0.00 H new ATOM 0 HE1 TYR A 55 6.122 21.795 -1.110 1.00 0.00 H new ATOM 0 HE2 TYR A 55 6.926 18.182 1.112 1.00 0.00 H new ATOM 0 HH TYR A 55 5.956 19.968 1.999 1.00 0.00 H new ATOM 543 N LEU A 56 8.175 16.706 -6.429 1.00 0.00 N ATOM 544 CA LEU A 56 8.724 16.483 -7.780 1.00 0.00 C ATOM 545 C LEU A 56 7.748 16.920 -8.883 1.00 0.00 C ATOM 546 O LEU A 56 8.181 17.528 -9.855 1.00 0.00 O ATOM 547 CB LEU A 56 9.190 15.025 -7.987 1.00 0.00 C ATOM 548 CG LEU A 56 10.721 14.870 -7.910 1.00 0.00 C ATOM 549 CD1 LEU A 56 11.276 15.185 -6.524 1.00 0.00 C ATOM 550 CD2 LEU A 56 11.130 13.442 -8.261 1.00 0.00 C ATOM 0 H LEU A 56 7.964 15.849 -5.917 1.00 0.00 H new ATOM 0 HA LEU A 56 9.606 17.118 -7.860 1.00 0.00 H new ATOM 0 HB2 LEU A 56 8.727 14.390 -7.232 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.842 14.672 -8.958 1.00 0.00 H new ATOM 0 HG LEU A 56 11.132 15.584 -8.624 1.00 0.00 H new ATOM 0 HD11 LEU A 56 12.359 15.059 -6.528 1.00 0.00 H new ATOM 0 HD12 LEU A 56 11.031 16.214 -6.259 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.835 14.507 -5.793 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.214 13.349 -8.202 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.668 12.748 -7.559 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.800 13.207 -9.273 1.00 0.00 H new ATOM 562 N GLY A 57 6.442 16.705 -8.717 1.00 0.00 N ATOM 563 CA GLY A 57 5.410 17.235 -9.612 1.00 0.00 C ATOM 564 C GLY A 57 5.401 18.766 -9.627 1.00 0.00 C ATOM 565 O GLY A 57 5.399 19.374 -10.695 1.00 0.00 O ATOM 0 H GLY A 57 6.066 16.151 -7.948 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.579 16.863 -10.622 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.433 16.869 -9.297 1.00 0.00 H new ATOM 569 N GLN A 58 5.516 19.396 -8.452 1.00 0.00 N ATOM 570 CA GLN A 58 5.694 20.847 -8.302 1.00 0.00 C ATOM 571 C GLN A 58 6.986 21.354 -8.973 1.00 0.00 C ATOM 572 O GLN A 58 6.952 22.372 -9.669 1.00 0.00 O ATOM 573 CB GLN A 58 5.651 21.170 -6.796 1.00 0.00 C ATOM 574 CG GLN A 58 5.992 22.610 -6.389 1.00 0.00 C ATOM 575 CD GLN A 58 5.000 23.647 -6.918 1.00 0.00 C ATOM 576 OE1 GLN A 58 4.070 24.062 -6.238 1.00 0.00 O ATOM 577 NE2 GLN A 58 5.144 24.103 -8.147 1.00 0.00 N ATOM 0 H GLN A 58 5.487 18.902 -7.560 1.00 0.00 H new ATOM 0 HA GLN A 58 4.889 21.372 -8.816 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.651 20.940 -6.427 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.342 20.499 -6.284 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.025 22.673 -5.301 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.990 22.855 -6.753 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.913 23.769 -8.728 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.487 24.790 -8.516 1.00 0.00 H new ATOM 586 N TYR A 59 8.107 20.643 -8.815 1.00 0.00 N ATOM 587 CA TYR A 59 9.379 20.954 -9.472 1.00 0.00 C ATOM 588 C TYR A 59 9.230 20.881 -10.999 1.00 0.00 C ATOM 589 O TYR A 59 9.499 21.848 -11.704 1.00 0.00 O ATOM 590 CB TYR A 59 10.463 20.001 -8.952 1.00 0.00 C ATOM 591 CG TYR A 59 11.777 20.081 -9.695 1.00 0.00 C ATOM 592 CD1 TYR A 59 12.789 20.970 -9.286 1.00 0.00 C ATOM 593 CD2 TYR A 59 11.981 19.241 -10.802 1.00 0.00 C ATOM 594 CE1 TYR A 59 14.006 21.009 -9.997 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.180 19.289 -11.529 1.00 0.00 C ATOM 596 CZ TYR A 59 14.208 20.170 -11.120 1.00 0.00 C ATOM 597 OH TYR A 59 15.393 20.225 -11.785 1.00 0.00 O ATOM 0 H TYR A 59 8.156 19.819 -8.215 1.00 0.00 H new ATOM 0 HA TYR A 59 9.679 21.974 -9.233 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.642 20.215 -7.898 1.00 0.00 H new ATOM 0 HB3 TYR A 59 10.089 18.979 -9.010 1.00 0.00 H new ATOM 0 HD1 TYR A 59 12.635 21.617 -8.435 1.00 0.00 H new ATOM 0 HD2 TYR A 59 11.205 18.550 -11.097 1.00 0.00 H new ATOM 0 HE1 TYR A 59 14.789 21.683 -9.683 1.00 0.00 H new ATOM 0 HE2 TYR A 59 13.317 18.658 -12.395 1.00 0.00 H new ATOM 0 HH TYR A 59 15.410 19.535 -12.480 1.00 0.00 H new ATOM 607 N ILE A 60 8.696 19.774 -11.516 1.00 0.00 N ATOM 608 CA ILE A 60 8.466 19.551 -12.951 1.00 0.00 C ATOM 609 C ILE A 60 7.522 20.618 -13.525 1.00 0.00 C ATOM 610 O ILE A 60 7.786 21.134 -14.608 1.00 0.00 O ATOM 611 CB ILE A 60 7.982 18.093 -13.149 1.00 0.00 C ATOM 612 CG1 ILE A 60 9.183 17.142 -12.913 1.00 0.00 C ATOM 613 CG2 ILE A 60 7.339 17.857 -14.531 1.00 0.00 C ATOM 614 CD1 ILE A 60 8.807 15.660 -12.840 1.00 0.00 C ATOM 0 H ILE A 60 8.403 18.986 -10.938 1.00 0.00 H new ATOM 0 HA ILE A 60 9.389 19.665 -13.519 1.00 0.00 H new ATOM 0 HB ILE A 60 7.194 17.888 -12.425 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.906 17.282 -13.716 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.679 17.425 -11.985 1.00 0.00 H new ATOM 0 HG21 ILE A 60 7.020 16.818 -14.611 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.476 18.512 -14.647 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.067 18.074 -15.313 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.705 15.065 -12.673 1.00 0.00 H new ATOM 0 HD12 ILE A 60 8.109 15.502 -12.018 1.00 0.00 H new ATOM 0 HD13 ILE A 60 8.339 15.357 -13.777 1.00 0.00 H new ATOM 626 N MET A 61 6.494 21.029 -12.778 1.00 0.00 N ATOM 627 CA MET A 61 5.580 22.123 -13.132 1.00 0.00 C ATOM 628 C MET A 61 6.295 23.484 -13.218 1.00 0.00 C ATOM 629 O MET A 61 6.098 24.206 -14.195 1.00 0.00 O ATOM 630 CB MET A 61 4.434 22.137 -12.100 1.00 0.00 C ATOM 631 CG MET A 61 3.366 23.231 -12.240 1.00 0.00 C ATOM 632 SD MET A 61 2.108 22.963 -13.520 1.00 0.00 S ATOM 633 CE MET A 61 2.870 23.826 -14.915 1.00 0.00 C ATOM 0 H MET A 61 6.266 20.598 -11.882 1.00 0.00 H new ATOM 0 HA MET A 61 5.179 21.950 -14.130 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.932 21.170 -12.142 1.00 0.00 H new ATOM 0 HB3 MET A 61 4.876 22.224 -11.108 1.00 0.00 H new ATOM 0 HG2 MET A 61 2.861 23.341 -11.281 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.869 24.176 -12.446 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.125 23.988 -15.694 1.00 0.00 H new ATOM 0 HE2 MET A 61 3.259 24.787 -14.579 1.00 0.00 H new ATOM 0 HE3 MET A 61 3.686 23.223 -15.314 1.00 0.00 H new ATOM 643 N VAL A 62 7.123 23.856 -12.229 1.00 0.00 N ATOM 644 CA VAL A 62 7.792 25.173 -12.167 1.00 0.00 C ATOM 645 C VAL A 62 9.020 25.291 -13.081 1.00 0.00 C ATOM 646 O VAL A 62 9.332 26.378 -13.569 1.00 0.00 O ATOM 647 CB VAL A 62 8.064 25.570 -10.704 1.00 0.00 C ATOM 648 CG1 VAL A 62 9.197 24.809 -10.018 1.00 0.00 C ATOM 649 CG2 VAL A 62 8.371 27.058 -10.592 1.00 0.00 C ATOM 0 H VAL A 62 7.351 23.249 -11.442 1.00 0.00 H new ATOM 0 HA VAL A 62 7.100 25.907 -12.580 1.00 0.00 H new ATOM 0 HB VAL A 62 7.141 25.304 -10.189 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.306 25.164 -8.993 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.967 23.744 -10.010 1.00 0.00 H new ATOM 0 HG13 VAL A 62 10.128 24.976 -10.560 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.559 27.313 -9.549 1.00 0.00 H new ATOM 0 HG22 VAL A 62 9.253 27.293 -11.188 1.00 0.00 H new ATOM 0 HG23 VAL A 62 7.521 27.633 -10.958 1.00 0.00 H new ATOM 659 N LYS A 63 9.690 24.164 -13.346 1.00 0.00 N ATOM 660 CA LYS A 63 10.830 24.043 -14.281 1.00 0.00 C ATOM 661 C LYS A 63 10.413 23.662 -15.711 1.00 0.00 C ATOM 662 O LYS A 63 11.203 23.826 -16.641 1.00 0.00 O ATOM 663 CB LYS A 63 11.871 23.042 -13.731 1.00 0.00 C ATOM 664 CG LYS A 63 12.415 23.315 -12.314 1.00 0.00 C ATOM 665 CD LYS A 63 12.706 24.790 -12.015 1.00 0.00 C ATOM 666 CE LYS A 63 13.420 24.913 -10.660 1.00 0.00 C ATOM 667 NZ LYS A 63 13.782 26.325 -10.347 1.00 0.00 N ATOM 0 H LYS A 63 9.450 23.277 -12.904 1.00 0.00 H new ATOM 0 HA LYS A 63 11.278 25.034 -14.351 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.424 22.048 -13.738 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.715 23.016 -14.420 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.694 22.946 -11.585 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.332 22.742 -12.174 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.327 25.215 -12.804 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.776 25.358 -12.000 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.775 24.521 -9.873 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.322 24.301 -10.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.262 26.364 -9.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.418 26.692 -11.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.920 26.905 -10.314 1.00 0.00 H new ATOM 681 N GLN A 64 9.180 23.175 -15.887 1.00 0.00 N ATOM 682 CA GLN A 64 8.614 22.638 -17.127 1.00 0.00 C ATOM 683 C GLN A 64 9.464 21.498 -17.735 1.00 0.00 C ATOM 684 O GLN A 64 10.007 21.617 -18.837 1.00 0.00 O ATOM 685 CB GLN A 64 8.242 23.728 -18.157 1.00 0.00 C ATOM 686 CG GLN A 64 7.224 24.775 -17.674 1.00 0.00 C ATOM 687 CD GLN A 64 7.856 25.928 -16.897 1.00 0.00 C ATOM 688 OE1 GLN A 64 8.786 26.592 -17.339 1.00 0.00 O ATOM 689 NE2 GLN A 64 7.371 26.229 -15.715 1.00 0.00 N ATOM 0 H GLN A 64 8.510 23.144 -15.119 1.00 0.00 H new ATOM 0 HA GLN A 64 7.667 22.182 -16.837 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.153 24.245 -18.458 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.842 23.241 -19.047 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.692 25.177 -18.536 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.483 24.285 -17.042 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.597 25.689 -15.329 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.768 27.003 -15.183 1.00 0.00 H new ATOM 698 N LEU A 65 9.585 20.379 -17.006 1.00 0.00 N ATOM 699 CA LEU A 65 10.300 19.169 -17.462 1.00 0.00 C ATOM 700 C LEU A 65 9.381 18.206 -18.249 1.00 0.00 C ATOM 701 O LEU A 65 9.835 17.236 -18.858 1.00 0.00 O ATOM 702 CB LEU A 65 10.978 18.510 -16.253 1.00 0.00 C ATOM 703 CG LEU A 65 12.236 17.692 -16.602 1.00 0.00 C ATOM 704 CD1 LEU A 65 13.380 18.546 -17.163 1.00 0.00 C ATOM 705 CD2 LEU A 65 12.742 17.056 -15.316 1.00 0.00 C ATOM 0 H LEU A 65 9.186 20.284 -16.072 1.00 0.00 H new ATOM 0 HA LEU A 65 11.073 19.452 -18.176 1.00 0.00 H new ATOM 0 HB2 LEU A 65 11.250 19.285 -15.536 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.259 17.857 -15.759 1.00 0.00 H new ATOM 0 HG LEU A 65 11.953 16.968 -17.366 1.00 0.00 H new ATOM 0 HD11 LEU A 65 14.234 17.908 -17.387 1.00 0.00 H new ATOM 0 HD12 LEU A 65 13.049 19.043 -18.075 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.670 19.295 -16.426 1.00 0.00 H new ATOM 0 HD21 LEU A 65 13.635 16.468 -15.528 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.984 17.837 -14.595 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.970 16.407 -14.903 1.00 0.00 H new ATOM 717 N TYR A 66 8.077 18.493 -18.235 1.00 0.00 N ATOM 718 CA TYR A 66 7.048 17.866 -19.061 1.00 0.00 C ATOM 719 C TYR A 66 6.895 18.605 -20.400 1.00 0.00 C ATOM 720 O TYR A 66 7.298 19.766 -20.522 1.00 0.00 O ATOM 721 CB TYR A 66 5.721 17.834 -18.276 1.00 0.00 C ATOM 722 CG TYR A 66 5.044 19.195 -18.186 1.00 0.00 C ATOM 723 CD1 TYR A 66 5.447 20.145 -17.225 1.00 0.00 C ATOM 724 CD2 TYR A 66 4.068 19.541 -19.140 1.00 0.00 C ATOM 725 CE1 TYR A 66 4.912 21.449 -17.251 1.00 0.00 C ATOM 726 CE2 TYR A 66 3.523 20.838 -19.163 1.00 0.00 C ATOM 727 CZ TYR A 66 3.956 21.803 -18.231 1.00 0.00 C ATOM 728 OH TYR A 66 3.455 23.068 -18.301 1.00 0.00 O ATOM 0 H TYR A 66 7.693 19.206 -17.615 1.00 0.00 H new ATOM 0 HA TYR A 66 7.342 16.843 -19.295 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.041 17.128 -18.753 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.911 17.463 -17.269 1.00 0.00 H new ATOM 0 HD1 TYR A 66 6.167 19.873 -16.467 1.00 0.00 H new ATOM 0 HD2 TYR A 66 3.736 18.806 -19.859 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.233 22.178 -16.522 1.00 0.00 H new ATOM 0 HE2 TYR A 66 2.772 21.095 -19.896 1.00 0.00 H new ATOM 0 HH TYR A 66 2.811 23.125 -19.038 1.00 0.00 H new ATOM 738 N ASP A 67 6.278 17.960 -21.396 1.00 0.00 N ATOM 739 CA ASP A 67 5.879 18.638 -22.635 1.00 0.00 C ATOM 740 C ASP A 67 4.381 18.990 -22.605 1.00 0.00 C ATOM 741 O ASP A 67 3.547 18.117 -22.364 1.00 0.00 O ATOM 742 CB ASP A 67 6.234 17.799 -23.873 1.00 0.00 C ATOM 743 CG ASP A 67 6.336 18.662 -25.136 1.00 0.00 C ATOM 744 OD1 ASP A 67 5.419 19.480 -25.372 1.00 0.00 O ATOM 745 OD2 ASP A 67 7.313 18.527 -25.906 1.00 0.00 O ATOM 0 H ASP A 67 6.044 16.968 -21.368 1.00 0.00 H new ATOM 0 HA ASP A 67 6.441 19.569 -22.705 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.181 17.287 -23.705 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.477 17.029 -24.019 1.00 0.00 H new ATOM 750 N GLN A 68 4.014 20.243 -22.901 1.00 0.00 N ATOM 751 CA GLN A 68 2.607 20.654 -23.031 1.00 0.00 C ATOM 752 C GLN A 68 1.834 19.901 -24.135 1.00 0.00 C ATOM 753 O GLN A 68 0.601 19.881 -24.127 1.00 0.00 O ATOM 754 CB GLN A 68 2.514 22.173 -23.269 1.00 0.00 C ATOM 755 CG GLN A 68 2.999 22.667 -24.650 1.00 0.00 C ATOM 756 CD GLN A 68 4.467 23.102 -24.657 1.00 0.00 C ATOM 757 OE1 GLN A 68 4.793 24.250 -24.382 1.00 0.00 O ATOM 758 NE2 GLN A 68 5.420 22.239 -24.948 1.00 0.00 N ATOM 0 H GLN A 68 4.680 21.000 -23.057 1.00 0.00 H new ATOM 0 HA GLN A 68 2.130 20.389 -22.087 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.476 22.480 -23.138 1.00 0.00 H new ATOM 0 HB3 GLN A 68 3.095 22.679 -22.498 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.860 21.872 -25.382 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.378 23.505 -24.967 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.181 21.275 -25.181 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.396 22.535 -24.940 1.00 0.00 H new ATOM 767 N GLN A 69 2.548 19.311 -25.099 1.00 0.00 N ATOM 768 CA GLN A 69 1.977 18.586 -26.227 1.00 0.00 C ATOM 769 C GLN A 69 1.625 17.138 -25.842 1.00 0.00 C ATOM 770 O GLN A 69 0.704 16.534 -26.395 1.00 0.00 O ATOM 771 CB GLN A 69 3.016 18.552 -27.358 1.00 0.00 C ATOM 772 CG GLN A 69 3.487 19.940 -27.805 1.00 0.00 C ATOM 773 CD GLN A 69 4.647 19.856 -28.792 1.00 0.00 C ATOM 774 OE1 GLN A 69 4.494 20.001 -29.999 1.00 0.00 O ATOM 775 NE2 GLN A 69 5.851 19.615 -28.316 1.00 0.00 N ATOM 0 H GLN A 69 3.568 19.328 -25.112 1.00 0.00 H new ATOM 0 HA GLN A 69 1.064 19.092 -26.540 1.00 0.00 H new ATOM 0 HB2 GLN A 69 3.879 17.974 -27.029 1.00 0.00 H new ATOM 0 HB3 GLN A 69 2.590 18.029 -28.215 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.656 20.474 -28.266 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.793 20.518 -26.933 1.00 0.00 H new ATOM 0 HE21 GLN A 69 5.988 19.493 -27.313 1.00 0.00 H new ATOM 0 HE22 GLN A 69 6.647 19.550 -28.951 1.00 0.00 H new ATOM 784 N GLU A 70 2.408 16.577 -24.914 1.00 0.00 N ATOM 785 CA GLU A 70 2.418 15.161 -24.527 1.00 0.00 C ATOM 786 C GLU A 70 2.876 14.965 -23.064 1.00 0.00 C ATOM 787 O GLU A 70 3.948 14.428 -22.782 1.00 0.00 O ATOM 788 CB GLU A 70 3.211 14.325 -25.554 1.00 0.00 C ATOM 789 CG GLU A 70 4.621 14.831 -25.870 1.00 0.00 C ATOM 790 CD GLU A 70 5.312 13.919 -26.902 1.00 0.00 C ATOM 791 OE1 GLU A 70 5.095 14.107 -28.126 1.00 0.00 O ATOM 792 OE2 GLU A 70 6.084 13.011 -26.509 1.00 0.00 O ATOM 0 H GLU A 70 3.086 17.126 -24.386 1.00 0.00 H new ATOM 0 HA GLU A 70 1.396 14.784 -24.549 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.286 13.303 -25.184 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.641 14.287 -26.482 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.569 15.849 -26.255 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.213 14.866 -24.955 1.00 0.00 H new ATOM 799 N GLN A 71 2.035 15.380 -22.108 1.00 0.00 N ATOM 800 CA GLN A 71 2.293 15.309 -20.661 1.00 0.00 C ATOM 801 C GLN A 71 2.612 13.888 -20.155 1.00 0.00 C ATOM 802 O GLN A 71 3.229 13.734 -19.099 1.00 0.00 O ATOM 803 CB GLN A 71 1.069 15.831 -19.885 1.00 0.00 C ATOM 804 CG GLN A 71 0.792 17.337 -20.021 1.00 0.00 C ATOM 805 CD GLN A 71 0.086 17.794 -21.302 1.00 0.00 C ATOM 806 OE1 GLN A 71 -0.232 17.036 -22.210 1.00 0.00 O ATOM 807 NE2 GLN A 71 -0.204 19.071 -21.420 1.00 0.00 N ATOM 0 H GLN A 71 1.126 15.788 -22.326 1.00 0.00 H new ATOM 0 HA GLN A 71 3.174 15.926 -20.486 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.188 15.285 -20.222 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.204 15.598 -18.829 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.188 17.650 -19.169 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.743 17.866 -19.949 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.050 19.722 -20.677 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.683 19.410 -22.254 1.00 0.00 H new ATOM 816 N HIS A 72 2.222 12.848 -20.908 1.00 0.00 N ATOM 817 CA HIS A 72 2.568 11.454 -20.612 1.00 0.00 C ATOM 818 C HIS A 72 4.074 11.147 -20.716 1.00 0.00 C ATOM 819 O HIS A 72 4.489 10.111 -20.205 1.00 0.00 O ATOM 820 CB HIS A 72 1.727 10.496 -21.472 1.00 0.00 C ATOM 821 CG HIS A 72 2.011 10.557 -22.955 1.00 0.00 C ATOM 822 ND1 HIS A 72 3.127 10.008 -23.593 1.00 0.00 N ATOM 823 CD2 HIS A 72 1.206 11.134 -23.894 1.00 0.00 C ATOM 824 CE1 HIS A 72 2.980 10.287 -24.900 1.00 0.00 C ATOM 825 NE2 HIS A 72 1.829 10.949 -25.110 1.00 0.00 N ATOM 0 H HIS A 72 1.652 12.955 -21.747 1.00 0.00 H new ATOM 0 HA HIS A 72 2.321 11.292 -19.563 1.00 0.00 H new ATOM 0 HB2 HIS A 72 1.897 9.476 -21.126 1.00 0.00 H new ATOM 0 HB3 HIS A 72 0.672 10.716 -21.309 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.266 11.636 -23.719 1.00 0.00 H new ATOM 0 HE1 HIS A 72 3.686 10.018 -25.671 1.00 0.00 H new ATOM 0 HE2 HIS A 72 1.477 11.261 -26.015 1.00 0.00 H new ATOM 833 N MET A 73 4.890 12.036 -21.295 1.00 0.00 N ATOM 834 CA MET A 73 6.360 11.981 -21.337 1.00 0.00 C ATOM 835 C MET A 73 6.982 13.104 -20.484 1.00 0.00 C ATOM 836 O MET A 73 6.575 14.268 -20.559 1.00 0.00 O ATOM 837 CB MET A 73 6.821 12.023 -22.810 1.00 0.00 C ATOM 838 CG MET A 73 8.280 12.443 -23.068 1.00 0.00 C ATOM 839 SD MET A 73 9.620 11.526 -22.247 1.00 0.00 S ATOM 840 CE MET A 73 9.488 9.888 -23.010 1.00 0.00 C ATOM 0 H MET A 73 4.524 12.859 -21.774 1.00 0.00 H new ATOM 0 HA MET A 73 6.710 11.046 -20.899 1.00 0.00 H new ATOM 0 HB2 MET A 73 6.671 11.033 -23.242 1.00 0.00 H new ATOM 0 HB3 MET A 73 6.169 12.709 -23.351 1.00 0.00 H new ATOM 0 HG2 MET A 73 8.453 12.387 -24.143 1.00 0.00 H new ATOM 0 HG3 MET A 73 8.376 13.491 -22.784 1.00 0.00 H new ATOM 0 HE1 MET A 73 10.252 9.231 -22.595 1.00 0.00 H new ATOM 0 HE2 MET A 73 8.502 9.471 -22.808 1.00 0.00 H new ATOM 0 HE3 MET A 73 9.631 9.976 -24.087 1.00 0.00 H new ATOM 850 N VAL A 74 8.010 12.755 -19.703 1.00 0.00 N ATOM 851 CA VAL A 74 8.863 13.681 -18.941 1.00 0.00 C ATOM 852 C VAL A 74 10.304 13.519 -19.429 1.00 0.00 C ATOM 853 O VAL A 74 10.948 12.501 -19.162 1.00 0.00 O ATOM 854 CB VAL A 74 8.771 13.428 -17.422 1.00 0.00 C ATOM 855 CG1 VAL A 74 9.484 14.540 -16.641 1.00 0.00 C ATOM 856 CG2 VAL A 74 7.323 13.369 -16.925 1.00 0.00 C ATOM 0 H VAL A 74 8.284 11.780 -19.578 1.00 0.00 H new ATOM 0 HA VAL A 74 8.519 14.702 -19.109 1.00 0.00 H new ATOM 0 HB VAL A 74 9.249 12.463 -17.250 1.00 0.00 H new ATOM 0 HG11 VAL A 74 9.406 14.341 -15.572 1.00 0.00 H new ATOM 0 HG12 VAL A 74 10.535 14.571 -16.929 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.018 15.499 -16.866 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.314 13.189 -15.850 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.826 14.315 -17.138 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.797 12.561 -17.432 1.00 0.00 H new ATOM 866 N TYR A 75 10.812 14.510 -20.164 1.00 0.00 N ATOM 867 CA TYR A 75 12.153 14.468 -20.750 1.00 0.00 C ATOM 868 C TYR A 75 13.178 15.105 -19.803 1.00 0.00 C ATOM 869 O TYR A 75 13.169 16.319 -19.590 1.00 0.00 O ATOM 870 CB TYR A 75 12.146 15.126 -22.134 1.00 0.00 C ATOM 871 CG TYR A 75 13.489 15.032 -22.833 1.00 0.00 C ATOM 872 CD1 TYR A 75 13.865 13.830 -23.463 1.00 0.00 C ATOM 873 CD2 TYR A 75 14.375 16.127 -22.820 1.00 0.00 C ATOM 874 CE1 TYR A 75 15.122 13.726 -24.091 1.00 0.00 C ATOM 875 CE2 TYR A 75 15.632 16.028 -23.449 1.00 0.00 C ATOM 876 CZ TYR A 75 16.008 14.826 -24.090 1.00 0.00 C ATOM 877 OH TYR A 75 17.219 14.718 -24.705 1.00 0.00 O ATOM 0 H TYR A 75 10.302 15.369 -20.371 1.00 0.00 H new ATOM 0 HA TYR A 75 12.453 13.429 -20.886 1.00 0.00 H new ATOM 0 HB2 TYR A 75 11.385 14.652 -22.753 1.00 0.00 H new ATOM 0 HB3 TYR A 75 11.867 16.175 -22.032 1.00 0.00 H new ATOM 0 HD1 TYR A 75 13.189 12.987 -23.465 1.00 0.00 H new ATOM 0 HD2 TYR A 75 14.090 17.045 -22.327 1.00 0.00 H new ATOM 0 HE1 TYR A 75 15.409 12.804 -24.574 1.00 0.00 H new ATOM 0 HE2 TYR A 75 16.308 16.870 -23.441 1.00 0.00 H new ATOM 0 HH TYR A 75 17.708 15.562 -24.615 1.00 0.00 H new ATOM 887 N CYS A 76 14.068 14.286 -19.237 1.00 0.00 N ATOM 888 CA CYS A 76 14.992 14.687 -18.168 1.00 0.00 C ATOM 889 C CYS A 76 16.439 14.911 -18.654 1.00 0.00 C ATOM 890 O CYS A 76 17.359 14.974 -17.837 1.00 0.00 O ATOM 891 CB CYS A 76 14.904 13.688 -17.005 1.00 0.00 C ATOM 892 SG CYS A 76 13.212 13.623 -16.342 1.00 0.00 S ATOM 0 H CYS A 76 14.170 13.309 -19.512 1.00 0.00 H new ATOM 0 HA CYS A 76 14.676 15.666 -17.809 1.00 0.00 H new ATOM 0 HB2 CYS A 76 15.205 12.697 -17.346 1.00 0.00 H new ATOM 0 HB3 CYS A 76 15.598 13.978 -16.216 1.00 0.00 H new ATOM 0 HG CYS A 76 12.807 12.388 -16.305 1.00 0.00 H new ATOM 898 N GLY A 77 16.664 15.027 -19.968 1.00 0.00 N ATOM 899 CA GLY A 77 17.984 15.321 -20.538 1.00 0.00 C ATOM 900 C GLY A 77 18.549 16.646 -20.008 1.00 0.00 C ATOM 901 O GLY A 77 17.923 17.699 -20.151 1.00 0.00 O ATOM 0 H GLY A 77 15.931 14.919 -20.670 1.00 0.00 H new ATOM 0 HA2 GLY A 77 18.672 14.510 -20.299 1.00 0.00 H new ATOM 0 HA3 GLY A 77 17.909 15.366 -21.625 1.00 0.00 H new ATOM 905 N GLY A 78 19.719 16.586 -19.363 1.00 0.00 N ATOM 906 CA GLY A 78 20.363 17.728 -18.696 1.00 0.00 C ATOM 907 C GLY A 78 19.815 18.078 -17.300 1.00 0.00 C ATOM 908 O GLY A 78 20.313 19.018 -16.677 1.00 0.00 O ATOM 0 H GLY A 78 20.258 15.724 -19.287 1.00 0.00 H new ATOM 0 HA2 GLY A 78 21.429 17.520 -18.606 1.00 0.00 H new ATOM 0 HA3 GLY A 78 20.262 18.604 -19.337 1.00 0.00 H new ATOM 912 N ASP A 79 18.824 17.343 -16.779 1.00 0.00 N ATOM 913 CA ASP A 79 18.359 17.473 -15.389 1.00 0.00 C ATOM 914 C ASP A 79 19.280 16.718 -14.413 1.00 0.00 C ATOM 915 O ASP A 79 19.932 15.743 -14.797 1.00 0.00 O ATOM 916 CB ASP A 79 16.920 16.954 -15.259 1.00 0.00 C ATOM 917 CG ASP A 79 16.299 17.347 -13.912 1.00 0.00 C ATOM 918 OD1 ASP A 79 15.849 18.508 -13.769 1.00 0.00 O ATOM 919 OD2 ASP A 79 16.323 16.502 -12.991 1.00 0.00 O ATOM 0 H ASP A 79 18.318 16.636 -17.313 1.00 0.00 H new ATOM 0 HA ASP A 79 18.386 18.531 -15.128 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.313 17.354 -16.071 1.00 0.00 H new ATOM 0 HB3 ASP A 79 16.913 15.869 -15.361 1.00 0.00 H new ATOM 924 N LEU A 80 19.257 17.104 -13.131 1.00 0.00 N ATOM 925 CA LEU A 80 19.893 16.387 -12.016 1.00 0.00 C ATOM 926 C LEU A 80 19.595 14.874 -12.046 1.00 0.00 C ATOM 927 O LEU A 80 20.507 14.066 -11.849 1.00 0.00 O ATOM 928 CB LEU A 80 19.387 16.993 -10.690 1.00 0.00 C ATOM 929 CG LEU A 80 20.174 18.220 -10.190 1.00 0.00 C ATOM 930 CD1 LEU A 80 20.057 19.438 -11.108 1.00 0.00 C ATOM 931 CD2 LEU A 80 19.657 18.627 -8.808 1.00 0.00 C ATOM 0 H LEU A 80 18.779 17.953 -12.830 1.00 0.00 H new ATOM 0 HA LEU A 80 20.973 16.501 -12.108 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.342 17.277 -10.814 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.419 16.222 -9.920 1.00 0.00 H new ATOM 0 HG LEU A 80 21.221 17.919 -10.165 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.636 20.263 -10.693 1.00 0.00 H new ATOM 0 HD12 LEU A 80 20.440 19.187 -12.097 1.00 0.00 H new ATOM 0 HD13 LEU A 80 19.011 19.733 -11.189 1.00 0.00 H new ATOM 0 HD21 LEU A 80 20.213 19.495 -8.453 1.00 0.00 H new ATOM 0 HD22 LEU A 80 18.598 18.877 -8.875 1.00 0.00 H new ATOM 0 HD23 LEU A 80 19.792 17.800 -8.111 1.00 0.00 H new ATOM 943 N LEU A 81 18.349 14.487 -12.360 1.00 0.00 N ATOM 944 CA LEU A 81 17.943 13.086 -12.536 1.00 0.00 C ATOM 945 C LEU A 81 18.777 12.384 -13.622 1.00 0.00 C ATOM 946 O LEU A 81 19.219 11.249 -13.437 1.00 0.00 O ATOM 947 CB LEU A 81 16.449 13.036 -12.925 1.00 0.00 C ATOM 948 CG LEU A 81 15.442 13.477 -11.850 1.00 0.00 C ATOM 949 CD1 LEU A 81 14.036 13.560 -12.444 1.00 0.00 C ATOM 950 CD2 LEU A 81 15.400 12.497 -10.674 1.00 0.00 C ATOM 0 H LEU A 81 17.585 15.148 -12.501 1.00 0.00 H new ATOM 0 HA LEU A 81 18.110 12.563 -11.594 1.00 0.00 H new ATOM 0 HB2 LEU A 81 16.305 13.664 -13.805 1.00 0.00 H new ATOM 0 HB3 LEU A 81 16.208 12.015 -13.219 1.00 0.00 H new ATOM 0 HG LEU A 81 15.769 14.453 -11.492 1.00 0.00 H new ATOM 0 HD11 LEU A 81 13.333 13.873 -11.672 1.00 0.00 H new ATOM 0 HD12 LEU A 81 14.027 14.284 -13.258 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.744 12.582 -12.825 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.677 12.845 -9.936 1.00 0.00 H new ATOM 0 HD22 LEU A 81 15.107 11.510 -11.033 1.00 0.00 H new ATOM 0 HD23 LEU A 81 16.387 12.438 -10.214 1.00 0.00 H new ATOM 962 N GLY A 82 19.007 13.063 -14.747 1.00 0.00 N ATOM 963 CA GLY A 82 19.796 12.567 -15.871 1.00 0.00 C ATOM 964 C GLY A 82 21.299 12.529 -15.589 1.00 0.00 C ATOM 965 O GLY A 82 21.942 11.558 -15.973 1.00 0.00 O ATOM 0 H GLY A 82 18.638 14.001 -14.904 1.00 0.00 H new ATOM 0 HA2 GLY A 82 19.457 11.564 -16.129 1.00 0.00 H new ATOM 0 HA3 GLY A 82 19.613 13.198 -16.740 1.00 0.00 H new ATOM 969 N GLU A 83 21.874 13.491 -14.854 1.00 0.00 N ATOM 970 CA GLU A 83 23.288 13.404 -14.438 1.00 0.00 C ATOM 971 C GLU A 83 23.505 12.188 -13.534 1.00 0.00 C ATOM 972 O GLU A 83 24.480 11.445 -13.674 1.00 0.00 O ATOM 973 CB GLU A 83 23.720 14.638 -13.635 1.00 0.00 C ATOM 974 CG GLU A 83 23.147 15.945 -14.144 1.00 0.00 C ATOM 975 CD GLU A 83 23.894 17.158 -13.558 1.00 0.00 C ATOM 976 OE1 GLU A 83 23.620 17.554 -12.399 1.00 0.00 O ATOM 977 OE2 GLU A 83 24.772 17.727 -14.254 1.00 0.00 O ATOM 0 H GLU A 83 21.391 14.331 -14.536 1.00 0.00 H new ATOM 0 HA GLU A 83 23.876 13.328 -15.353 1.00 0.00 H new ATOM 0 HB2 GLU A 83 23.420 14.504 -12.596 1.00 0.00 H new ATOM 0 HB3 GLU A 83 24.808 14.702 -13.647 1.00 0.00 H new ATOM 0 HG2 GLU A 83 23.208 15.970 -15.232 1.00 0.00 H new ATOM 0 HG3 GLU A 83 22.091 16.006 -13.882 1.00 0.00 H new ATOM 984 N LEU A 84 22.554 11.992 -12.615 1.00 0.00 N ATOM 985 CA LEU A 84 22.565 10.908 -11.638 1.00 0.00 C ATOM 986 C LEU A 84 22.438 9.503 -12.283 1.00 0.00 C ATOM 987 O LEU A 84 23.252 8.623 -11.993 1.00 0.00 O ATOM 988 CB LEU A 84 21.471 11.244 -10.607 1.00 0.00 C ATOM 989 CG LEU A 84 21.128 10.116 -9.637 1.00 0.00 C ATOM 990 CD1 LEU A 84 22.322 9.632 -8.814 1.00 0.00 C ATOM 991 CD2 LEU A 84 20.053 10.587 -8.655 1.00 0.00 C ATOM 0 H LEU A 84 21.738 12.599 -12.531 1.00 0.00 H new ATOM 0 HA LEU A 84 23.530 10.841 -11.136 1.00 0.00 H new ATOM 0 HB2 LEU A 84 21.790 12.113 -10.031 1.00 0.00 H new ATOM 0 HB3 LEU A 84 20.565 11.531 -11.141 1.00 0.00 H new ATOM 0 HG LEU A 84 20.784 9.287 -10.255 1.00 0.00 H new ATOM 0 HD11 LEU A 84 22.004 8.831 -8.147 1.00 0.00 H new ATOM 0 HD12 LEU A 84 23.098 9.261 -9.483 1.00 0.00 H new ATOM 0 HD13 LEU A 84 22.717 10.459 -8.224 1.00 0.00 H new ATOM 0 HD21 LEU A 84 19.811 9.779 -7.965 1.00 0.00 H new ATOM 0 HD22 LEU A 84 20.424 11.445 -8.094 1.00 0.00 H new ATOM 0 HD23 LEU A 84 19.157 10.873 -9.206 1.00 0.00 H new ATOM 1003 N LEU A 85 21.452 9.279 -13.164 1.00 0.00 N ATOM 1004 CA LEU A 85 21.153 7.970 -13.779 1.00 0.00 C ATOM 1005 C LEU A 85 21.828 7.794 -15.166 1.00 0.00 C ATOM 1006 O LEU A 85 21.739 6.733 -15.783 1.00 0.00 O ATOM 1007 CB LEU A 85 19.607 7.853 -13.820 1.00 0.00 C ATOM 1008 CG LEU A 85 18.908 6.483 -13.649 1.00 0.00 C ATOM 1009 CD1 LEU A 85 19.196 5.433 -14.711 1.00 0.00 C ATOM 1010 CD2 LEU A 85 19.190 5.845 -12.292 1.00 0.00 C ATOM 0 H LEU A 85 20.823 10.018 -13.478 1.00 0.00 H new ATOM 0 HA LEU A 85 21.573 7.155 -13.190 1.00 0.00 H new ATOM 0 HB2 LEU A 85 19.216 8.510 -13.043 1.00 0.00 H new ATOM 0 HB3 LEU A 85 19.281 8.261 -14.777 1.00 0.00 H new ATOM 0 HG LEU A 85 17.860 6.766 -13.751 1.00 0.00 H new ATOM 0 HD11 LEU A 85 18.648 4.520 -14.478 1.00 0.00 H new ATOM 0 HD12 LEU A 85 18.882 5.806 -15.686 1.00 0.00 H new ATOM 0 HD13 LEU A 85 20.265 5.220 -14.731 1.00 0.00 H new ATOM 0 HD21 LEU A 85 18.675 4.886 -12.227 1.00 0.00 H new ATOM 0 HD22 LEU A 85 20.263 5.689 -12.179 1.00 0.00 H new ATOM 0 HD23 LEU A 85 18.834 6.503 -11.499 1.00 0.00 H new ATOM 1022 N GLY A 86 22.448 8.842 -15.720 1.00 0.00 N ATOM 1023 CA GLY A 86 22.953 8.913 -17.105 1.00 0.00 C ATOM 1024 C GLY A 86 21.862 9.277 -18.130 1.00 0.00 C ATOM 1025 O GLY A 86 22.146 9.886 -19.163 1.00 0.00 O ATOM 0 H GLY A 86 22.621 9.701 -15.198 1.00 0.00 H new ATOM 0 HA2 GLY A 86 23.752 9.653 -17.156 1.00 0.00 H new ATOM 0 HA3 GLY A 86 23.390 7.952 -17.375 1.00 0.00 H new ATOM 1029 N ARG A 87 20.609 8.920 -17.814 1.00 0.00 N ATOM 1030 CA ARG A 87 19.356 9.185 -18.545 1.00 0.00 C ATOM 1031 C ARG A 87 18.166 8.974 -17.602 1.00 0.00 C ATOM 1032 O ARG A 87 18.151 8.002 -16.858 1.00 0.00 O ATOM 1033 CB ARG A 87 19.250 8.278 -19.800 1.00 0.00 C ATOM 1034 CG ARG A 87 19.003 6.767 -19.583 1.00 0.00 C ATOM 1035 CD ARG A 87 19.991 6.107 -18.612 1.00 0.00 C ATOM 1036 NE ARG A 87 19.820 4.644 -18.544 1.00 0.00 N ATOM 1037 CZ ARG A 87 20.595 3.791 -17.897 1.00 0.00 C ATOM 1038 NH1 ARG A 87 21.552 4.181 -17.100 1.00 0.00 N ATOM 1039 NH2 ARG A 87 20.419 2.509 -18.039 1.00 0.00 N ATOM 0 H ARG A 87 20.427 8.389 -16.962 1.00 0.00 H new ATOM 0 HA ARG A 87 19.350 10.218 -18.891 1.00 0.00 H new ATOM 0 HB2 ARG A 87 18.443 8.663 -20.423 1.00 0.00 H new ATOM 0 HB3 ARG A 87 20.172 8.387 -20.370 1.00 0.00 H new ATOM 0 HG2 ARG A 87 17.990 6.625 -19.207 1.00 0.00 H new ATOM 0 HG3 ARG A 87 19.060 6.258 -20.545 1.00 0.00 H new ATOM 0 HD2 ARG A 87 21.010 6.337 -18.923 1.00 0.00 H new ATOM 0 HD3 ARG A 87 19.858 6.532 -17.617 1.00 0.00 H new ATOM 0 HE ARG A 87 19.024 4.251 -19.046 1.00 0.00 H new ATOM 0 HH11 ARG A 87 21.724 5.176 -16.958 1.00 0.00 H new ATOM 0 HH12 ARG A 87 22.128 3.490 -16.619 1.00 0.00 H new ATOM 0 HH21 ARG A 87 19.681 2.160 -18.651 1.00 0.00 H new ATOM 0 HH22 ARG A 87 21.019 1.853 -17.538 1.00 0.00 H new ATOM 1053 N GLN A 88 17.170 9.851 -17.608 1.00 0.00 N ATOM 1054 CA GLN A 88 15.965 9.688 -16.768 1.00 0.00 C ATOM 1055 C GLN A 88 14.681 10.071 -17.515 1.00 0.00 C ATOM 1056 O GLN A 88 13.664 10.378 -16.900 1.00 0.00 O ATOM 1057 CB GLN A 88 16.167 10.410 -15.414 1.00 0.00 C ATOM 1058 CG GLN A 88 16.367 9.441 -14.222 1.00 0.00 C ATOM 1059 CD GLN A 88 15.145 9.187 -13.329 1.00 0.00 C ATOM 1060 OE1 GLN A 88 14.107 9.825 -13.408 1.00 0.00 O ATOM 1061 NE2 GLN A 88 15.250 8.273 -12.380 1.00 0.00 N ATOM 0 H GLN A 88 17.163 10.692 -18.186 1.00 0.00 H new ATOM 0 HA GLN A 88 15.826 8.632 -16.537 1.00 0.00 H new ATOM 0 HB2 GLN A 88 17.033 11.067 -15.487 1.00 0.00 H new ATOM 0 HB3 GLN A 88 15.302 11.043 -15.216 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.706 8.483 -14.615 1.00 0.00 H new ATOM 0 HG3 GLN A 88 17.170 9.831 -13.597 1.00 0.00 H new ATOM 0 HE21 GLN A 88 16.106 7.726 -12.292 1.00 0.00 H new ATOM 0 HE22 GLN A 88 14.475 8.115 -11.736 1.00 0.00 H new ATOM 1070 N SER A 89 14.710 10.030 -18.852 1.00 0.00 N ATOM 1071 CA SER A 89 13.523 10.369 -19.653 1.00 0.00 C ATOM 1072 C SER A 89 12.645 9.132 -19.777 1.00 0.00 C ATOM 1073 O SER A 89 13.110 8.037 -20.107 1.00 0.00 O ATOM 1074 CB SER A 89 13.855 10.917 -21.031 1.00 0.00 C ATOM 1075 OG SER A 89 14.798 11.970 -20.902 1.00 0.00 O ATOM 0 H SER A 89 15.531 9.769 -19.399 1.00 0.00 H new ATOM 0 HA SER A 89 12.997 11.169 -19.132 1.00 0.00 H new ATOM 0 HB2 SER A 89 14.260 10.126 -21.662 1.00 0.00 H new ATOM 0 HB3 SER A 89 12.950 11.281 -21.518 1.00 0.00 H new ATOM 0 HG SER A 89 14.663 12.621 -21.622 1.00 0.00 H new ATOM 1081 N PHE A 90 11.370 9.321 -19.470 1.00 0.00 N ATOM 1082 CA PHE A 90 10.398 8.243 -19.287 1.00 0.00 C ATOM 1083 C PHE A 90 8.966 8.727 -19.442 1.00 0.00 C ATOM 1084 O PHE A 90 8.687 9.928 -19.505 1.00 0.00 O ATOM 1085 CB PHE A 90 10.585 7.625 -17.881 1.00 0.00 C ATOM 1086 CG PHE A 90 9.868 8.363 -16.755 1.00 0.00 C ATOM 1087 CD1 PHE A 90 10.314 9.627 -16.322 1.00 0.00 C ATOM 1088 CD2 PHE A 90 8.714 7.805 -16.171 1.00 0.00 C ATOM 1089 CE1 PHE A 90 9.627 10.317 -15.307 1.00 0.00 C ATOM 1090 CE2 PHE A 90 8.015 8.502 -15.171 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.475 9.755 -14.731 1.00 0.00 C ATOM 0 H PHE A 90 10.969 10.249 -19.337 1.00 0.00 H new ATOM 0 HA PHE A 90 10.577 7.497 -20.062 1.00 0.00 H new ATOM 0 HB2 PHE A 90 10.231 6.594 -17.903 1.00 0.00 H new ATOM 0 HB3 PHE A 90 11.650 7.592 -17.653 1.00 0.00 H new ATOM 0 HD1 PHE A 90 11.190 10.070 -16.773 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.364 6.836 -16.494 1.00 0.00 H new ATOM 0 HE1 PHE A 90 9.985 11.279 -14.970 1.00 0.00 H new ATOM 0 HE2 PHE A 90 7.122 8.074 -14.740 1.00 0.00 H new ATOM 0 HZ PHE A 90 7.945 10.284 -13.953 1.00 0.00 H new ATOM 1101 N SER A 91 8.053 7.760 -19.467 1.00 0.00 N ATOM 1102 CA SER A 91 6.631 8.027 -19.547 1.00 0.00 C ATOM 1103 C SER A 91 5.867 7.623 -18.292 1.00 0.00 C ATOM 1104 O SER A 91 6.021 6.520 -17.767 1.00 0.00 O ATOM 1105 CB SER A 91 6.078 7.370 -20.802 1.00 0.00 C ATOM 1106 OG SER A 91 6.264 5.960 -20.820 1.00 0.00 O ATOM 0 H SER A 91 8.286 6.767 -19.432 1.00 0.00 H new ATOM 0 HA SER A 91 6.489 9.106 -19.613 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.014 7.591 -20.882 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.561 7.806 -21.676 1.00 0.00 H new ATOM 0 HG SER A 91 5.889 5.591 -21.647 1.00 0.00 H new ATOM 1112 N VAL A 92 4.961 8.499 -17.857 1.00 0.00 N ATOM 1113 CA VAL A 92 4.161 8.325 -16.633 1.00 0.00 C ATOM 1114 C VAL A 92 2.985 7.344 -16.786 1.00 0.00 C ATOM 1115 O VAL A 92 2.390 6.928 -15.791 1.00 0.00 O ATOM 1116 CB VAL A 92 3.725 9.681 -16.030 1.00 0.00 C ATOM 1117 CG1 VAL A 92 4.875 10.369 -15.294 1.00 0.00 C ATOM 1118 CG2 VAL A 92 3.195 10.651 -17.088 1.00 0.00 C ATOM 0 H VAL A 92 4.755 9.367 -18.351 1.00 0.00 H new ATOM 0 HA VAL A 92 4.829 7.850 -15.914 1.00 0.00 H new ATOM 0 HB VAL A 92 2.924 9.440 -15.331 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.529 11.318 -14.885 1.00 0.00 H new ATOM 0 HG12 VAL A 92 5.222 9.729 -14.483 1.00 0.00 H new ATOM 0 HG13 VAL A 92 5.695 10.551 -15.989 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.903 11.586 -16.610 1.00 0.00 H new ATOM 0 HG22 VAL A 92 3.974 10.847 -17.825 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.330 10.211 -17.584 1.00 0.00 H new ATOM 1128 N LYS A 93 2.687 6.920 -18.024 1.00 0.00 N ATOM 1129 CA LYS A 93 1.681 5.893 -18.369 1.00 0.00 C ATOM 1130 C LYS A 93 2.151 4.435 -18.205 1.00 0.00 C ATOM 1131 O LYS A 93 1.344 3.514 -18.334 1.00 0.00 O ATOM 1132 CB LYS A 93 1.163 6.160 -19.794 1.00 0.00 C ATOM 1133 CG LYS A 93 2.223 5.945 -20.891 1.00 0.00 C ATOM 1134 CD LYS A 93 1.678 6.294 -22.282 1.00 0.00 C ATOM 1135 CE LYS A 93 2.778 6.107 -23.337 1.00 0.00 C ATOM 1136 NZ LYS A 93 2.298 6.468 -24.700 1.00 0.00 N ATOM 0 H LYS A 93 3.157 7.296 -18.848 1.00 0.00 H new ATOM 0 HA LYS A 93 0.875 5.990 -17.642 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.313 5.506 -19.990 1.00 0.00 H new ATOM 0 HB3 LYS A 93 0.797 7.185 -19.851 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.097 6.560 -20.678 1.00 0.00 H new ATOM 0 HG3 LYS A 93 2.553 4.906 -20.880 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.824 5.658 -22.518 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.322 7.324 -22.294 1.00 0.00 H new ATOM 0 HE2 LYS A 93 3.639 6.723 -23.079 1.00 0.00 H new ATOM 0 HE3 LYS A 93 3.115 5.070 -23.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.067 6.330 -25.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 1.492 5.863 -24.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 2.000 7.464 -24.710 1.00 0.00 H new ATOM 1150 N ASP A 94 3.443 4.220 -17.949 1.00 0.00 N ATOM 1151 CA ASP A 94 4.098 2.905 -17.908 1.00 0.00 C ATOM 1152 C ASP A 94 4.955 2.746 -16.628 1.00 0.00 C ATOM 1153 O ASP A 94 6.129 3.129 -16.613 1.00 0.00 O ATOM 1154 CB ASP A 94 4.891 2.690 -19.209 1.00 0.00 C ATOM 1155 CG ASP A 94 5.275 1.215 -19.450 1.00 0.00 C ATOM 1156 OD1 ASP A 94 4.908 0.328 -18.641 1.00 0.00 O ATOM 1157 OD2 ASP A 94 5.916 0.932 -20.490 1.00 0.00 O ATOM 0 H ASP A 94 4.089 4.985 -17.757 1.00 0.00 H new ATOM 0 HA ASP A 94 3.346 2.118 -17.851 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.298 3.047 -20.051 1.00 0.00 H new ATOM 0 HB3 ASP A 94 5.798 3.294 -19.178 1.00 0.00 H new ATOM 1162 N PRO A 95 4.384 2.230 -15.520 1.00 0.00 N ATOM 1163 CA PRO A 95 5.063 2.142 -14.223 1.00 0.00 C ATOM 1164 C PRO A 95 6.247 1.161 -14.172 1.00 0.00 C ATOM 1165 O PRO A 95 7.171 1.381 -13.390 1.00 0.00 O ATOM 1166 CB PRO A 95 3.971 1.768 -13.211 1.00 0.00 C ATOM 1167 CG PRO A 95 2.899 1.089 -14.063 1.00 0.00 C ATOM 1168 CD PRO A 95 2.981 1.875 -15.368 1.00 0.00 C ATOM 0 HA PRO A 95 5.535 3.099 -13.999 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.353 1.098 -12.440 1.00 0.00 H new ATOM 0 HB3 PRO A 95 3.579 2.649 -12.702 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.107 0.030 -14.212 1.00 0.00 H new ATOM 0 HG3 PRO A 95 1.911 1.159 -13.607 1.00 0.00 H new ATOM 0 HD2 PRO A 95 2.634 1.275 -16.210 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.353 2.765 -15.330 1.00 0.00 H new ATOM 1176 N SER A 96 6.273 0.105 -14.993 1.00 0.00 N ATOM 1177 CA SER A 96 7.345 -0.910 -14.971 1.00 0.00 C ATOM 1178 C SER A 96 8.751 -0.356 -15.280 1.00 0.00 C ATOM 1179 O SER A 96 9.648 -0.561 -14.455 1.00 0.00 O ATOM 1180 CB SER A 96 7.024 -2.084 -15.903 1.00 0.00 C ATOM 1181 OG SER A 96 5.832 -2.736 -15.485 1.00 0.00 O ATOM 0 H SER A 96 5.554 -0.075 -15.693 1.00 0.00 H new ATOM 0 HA SER A 96 7.375 -1.262 -13.940 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.910 -1.724 -16.926 1.00 0.00 H new ATOM 0 HB3 SER A 96 7.852 -2.792 -15.905 1.00 0.00 H new ATOM 0 HG SER A 96 5.638 -3.482 -16.090 1.00 0.00 H new ATOM 1187 N PRO A 97 8.990 0.371 -16.397 1.00 0.00 N ATOM 1188 CA PRO A 97 10.294 0.981 -16.672 1.00 0.00 C ATOM 1189 C PRO A 97 10.650 2.101 -15.676 1.00 0.00 C ATOM 1190 O PRO A 97 11.821 2.273 -15.333 1.00 0.00 O ATOM 1191 CB PRO A 97 10.209 1.508 -18.111 1.00 0.00 C ATOM 1192 CG PRO A 97 8.714 1.739 -18.326 1.00 0.00 C ATOM 1193 CD PRO A 97 8.100 0.595 -17.529 1.00 0.00 C ATOM 0 HA PRO A 97 11.093 0.249 -16.556 1.00 0.00 H new ATOM 0 HB2 PRO A 97 10.778 2.430 -18.234 1.00 0.00 H new ATOM 0 HB3 PRO A 97 10.610 0.788 -18.825 1.00 0.00 H new ATOM 0 HG2 PRO A 97 8.394 2.713 -17.955 1.00 0.00 H new ATOM 0 HG3 PRO A 97 8.442 1.694 -19.380 1.00 0.00 H new ATOM 0 HD2 PRO A 97 7.096 0.850 -17.191 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.012 -0.303 -18.140 1.00 0.00 H new ATOM 1201 N LEU A 98 9.645 2.825 -15.164 1.00 0.00 N ATOM 1202 CA LEU A 98 9.793 3.833 -14.110 1.00 0.00 C ATOM 1203 C LEU A 98 10.340 3.207 -12.820 1.00 0.00 C ATOM 1204 O LEU A 98 11.320 3.713 -12.280 1.00 0.00 O ATOM 1205 CB LEU A 98 8.416 4.529 -13.926 1.00 0.00 C ATOM 1206 CG LEU A 98 8.108 5.150 -12.546 1.00 0.00 C ATOM 1207 CD1 LEU A 98 9.059 6.295 -12.234 1.00 0.00 C ATOM 1208 CD2 LEU A 98 6.671 5.664 -12.484 1.00 0.00 C ATOM 0 H LEU A 98 8.681 2.721 -15.482 1.00 0.00 H new ATOM 0 HA LEU A 98 10.528 4.588 -14.390 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.335 5.317 -14.675 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.638 3.798 -14.147 1.00 0.00 H new ATOM 0 HG LEU A 98 8.241 4.363 -11.804 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.818 6.712 -11.256 1.00 0.00 H new ATOM 0 HD12 LEU A 98 10.084 5.925 -12.228 1.00 0.00 H new ATOM 0 HD13 LEU A 98 8.958 7.070 -12.994 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.481 6.096 -11.501 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.524 6.425 -13.250 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.981 4.838 -12.656 1.00 0.00 H new ATOM 1220 N TYR A 99 9.775 2.097 -12.342 1.00 0.00 N ATOM 1221 CA TYR A 99 10.195 1.488 -11.075 1.00 0.00 C ATOM 1222 C TYR A 99 11.678 1.086 -11.044 1.00 0.00 C ATOM 1223 O TYR A 99 12.289 1.150 -9.981 1.00 0.00 O ATOM 1224 CB TYR A 99 9.283 0.303 -10.715 1.00 0.00 C ATOM 1225 CG TYR A 99 8.236 0.644 -9.668 1.00 0.00 C ATOM 1226 CD1 TYR A 99 8.635 0.886 -8.337 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.874 0.723 -10.015 1.00 0.00 C ATOM 1228 CE1 TYR A 99 7.677 1.205 -7.354 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.913 1.046 -9.038 1.00 0.00 C ATOM 1230 CZ TYR A 99 6.311 1.288 -7.704 1.00 0.00 C ATOM 1231 OH TYR A 99 5.372 1.596 -6.766 1.00 0.00 O ATOM 0 H TYR A 99 9.021 1.598 -12.815 1.00 0.00 H new ATOM 0 HA TYR A 99 10.088 2.260 -10.313 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.783 -0.048 -11.617 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.897 -0.520 -10.350 1.00 0.00 H new ATOM 0 HD1 TYR A 99 9.680 0.827 -8.070 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.566 0.535 -11.033 1.00 0.00 H new ATOM 0 HE1 TYR A 99 7.987 1.386 -6.335 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.869 1.109 -9.309 1.00 0.00 H new ATOM 0 HH TYR A 99 4.485 1.611 -7.183 1.00 0.00 H new ATOM 1241 N ASP A 100 12.293 0.743 -12.180 1.00 0.00 N ATOM 1242 CA ASP A 100 13.721 0.391 -12.235 1.00 0.00 C ATOM 1243 C ASP A 100 14.620 1.608 -11.967 1.00 0.00 C ATOM 1244 O ASP A 100 15.470 1.585 -11.075 1.00 0.00 O ATOM 1245 CB ASP A 100 14.041 -0.224 -13.602 1.00 0.00 C ATOM 1246 CG ASP A 100 15.502 -0.699 -13.663 1.00 0.00 C ATOM 1247 OD1 ASP A 100 15.791 -1.839 -13.232 1.00 0.00 O ATOM 1248 OD2 ASP A 100 16.377 0.075 -14.118 1.00 0.00 O ATOM 0 H ASP A 100 11.821 0.701 -13.083 1.00 0.00 H new ATOM 0 HA ASP A 100 13.925 -0.337 -11.449 1.00 0.00 H new ATOM 0 HB2 ASP A 100 13.373 -1.064 -13.792 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.860 0.511 -14.387 1.00 0.00 H new ATOM 1253 N MET A 101 14.379 2.701 -12.696 1.00 0.00 N ATOM 1254 CA MET A 101 15.112 3.968 -12.547 1.00 0.00 C ATOM 1255 C MET A 101 14.806 4.678 -11.210 1.00 0.00 C ATOM 1256 O MET A 101 15.654 5.383 -10.665 1.00 0.00 O ATOM 1257 CB MET A 101 14.842 4.856 -13.778 1.00 0.00 C ATOM 1258 CG MET A 101 13.401 5.339 -13.864 1.00 0.00 C ATOM 1259 SD MET A 101 13.146 6.832 -14.840 1.00 0.00 S ATOM 1260 CE MET A 101 11.696 7.412 -13.922 1.00 0.00 C ATOM 0 H MET A 101 13.659 2.734 -13.418 1.00 0.00 H new ATOM 0 HA MET A 101 16.180 3.754 -12.505 1.00 0.00 H new ATOM 0 HB2 MET A 101 15.507 5.719 -13.748 1.00 0.00 H new ATOM 0 HB3 MET A 101 15.086 4.297 -14.682 1.00 0.00 H new ATOM 0 HG2 MET A 101 12.792 4.540 -14.287 1.00 0.00 H new ATOM 0 HG3 MET A 101 13.034 5.518 -12.853 1.00 0.00 H new ATOM 0 HE1 MET A 101 11.609 8.494 -14.024 1.00 0.00 H new ATOM 0 HE2 MET A 101 10.799 6.937 -14.320 1.00 0.00 H new ATOM 0 HE3 MET A 101 11.806 7.155 -12.868 1.00 0.00 H new ATOM 1270 N LEU A 102 13.598 4.481 -10.671 1.00 0.00 N ATOM 1271 CA LEU A 102 13.099 5.036 -9.419 1.00 0.00 C ATOM 1272 C LEU A 102 13.687 4.309 -8.213 1.00 0.00 C ATOM 1273 O LEU A 102 14.228 4.986 -7.353 1.00 0.00 O ATOM 1274 CB LEU A 102 11.565 4.983 -9.453 1.00 0.00 C ATOM 1275 CG LEU A 102 10.861 5.787 -8.353 1.00 0.00 C ATOM 1276 CD1 LEU A 102 10.954 7.295 -8.592 1.00 0.00 C ATOM 1277 CD2 LEU A 102 9.403 5.347 -8.296 1.00 0.00 C ATOM 0 H LEU A 102 12.903 3.892 -11.130 1.00 0.00 H new ATOM 0 HA LEU A 102 13.415 6.074 -9.313 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.226 5.349 -10.422 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.251 3.942 -9.378 1.00 0.00 H new ATOM 0 HG LEU A 102 11.357 5.591 -7.403 1.00 0.00 H new ATOM 0 HD11 LEU A 102 10.441 7.823 -7.788 1.00 0.00 H new ATOM 0 HD12 LEU A 102 12.001 7.596 -8.614 1.00 0.00 H new ATOM 0 HD13 LEU A 102 10.485 7.542 -9.545 1.00 0.00 H new ATOM 0 HD21 LEU A 102 8.884 5.908 -7.519 1.00 0.00 H new ATOM 0 HD22 LEU A 102 8.928 5.536 -9.259 1.00 0.00 H new ATOM 0 HD23 LEU A 102 9.353 4.282 -8.070 1.00 0.00 H new ATOM 1289 N ARG A 103 13.710 2.968 -8.174 1.00 0.00 N ATOM 1290 CA ARG A 103 14.341 2.196 -7.074 1.00 0.00 C ATOM 1291 C ARG A 103 15.825 2.533 -6.874 1.00 0.00 C ATOM 1292 O ARG A 103 16.339 2.444 -5.759 1.00 0.00 O ATOM 1293 CB ARG A 103 14.174 0.686 -7.332 1.00 0.00 C ATOM 1294 CG ARG A 103 12.753 0.210 -7.000 1.00 0.00 C ATOM 1295 CD ARG A 103 12.497 -1.191 -7.562 1.00 0.00 C ATOM 1296 NE ARG A 103 11.131 -1.641 -7.233 1.00 0.00 N ATOM 1297 CZ ARG A 103 10.313 -2.377 -7.961 1.00 0.00 C ATOM 1298 NH1 ARG A 103 10.657 -2.885 -9.110 1.00 0.00 N ATOM 1299 NH2 ARG A 103 9.116 -2.622 -7.516 1.00 0.00 N ATOM 0 H ARG A 103 13.295 2.382 -8.899 1.00 0.00 H new ATOM 0 HA ARG A 103 13.829 2.480 -6.155 1.00 0.00 H new ATOM 0 HB2 ARG A 103 14.397 0.468 -8.376 1.00 0.00 H new ATOM 0 HB3 ARG A 103 14.894 0.132 -6.730 1.00 0.00 H new ATOM 0 HG2 ARG A 103 12.611 0.203 -5.919 1.00 0.00 H new ATOM 0 HG3 ARG A 103 12.026 0.909 -7.413 1.00 0.00 H new ATOM 0 HD2 ARG A 103 12.633 -1.185 -8.643 1.00 0.00 H new ATOM 0 HD3 ARG A 103 13.225 -1.891 -7.153 1.00 0.00 H new ATOM 0 HE ARG A 103 10.773 -1.345 -6.325 1.00 0.00 H new ATOM 0 HH11 ARG A 103 11.593 -2.720 -9.481 1.00 0.00 H new ATOM 0 HH12 ARG A 103 9.991 -3.448 -9.639 1.00 0.00 H new ATOM 0 HH21 ARG A 103 8.820 -2.247 -6.615 1.00 0.00 H new ATOM 0 HH22 ARG A 103 8.473 -3.189 -8.068 1.00 0.00 H new ATOM 1313 N LYS A 104 16.493 2.968 -7.948 1.00 0.00 N ATOM 1314 CA LYS A 104 17.886 3.448 -7.953 1.00 0.00 C ATOM 1315 C LYS A 104 18.047 4.866 -7.388 1.00 0.00 C ATOM 1316 O LYS A 104 19.126 5.171 -6.880 1.00 0.00 O ATOM 1317 CB LYS A 104 18.447 3.309 -9.382 1.00 0.00 C ATOM 1318 CG LYS A 104 18.597 1.822 -9.754 1.00 0.00 C ATOM 1319 CD LYS A 104 18.845 1.591 -11.250 1.00 0.00 C ATOM 1320 CE LYS A 104 18.832 0.077 -11.505 1.00 0.00 C ATOM 1321 NZ LYS A 104 18.892 -0.251 -12.954 1.00 0.00 N ATOM 0 H LYS A 104 16.066 2.998 -8.874 1.00 0.00 H new ATOM 0 HA LYS A 104 18.469 2.827 -7.273 1.00 0.00 H new ATOM 0 HB2 LYS A 104 17.782 3.803 -10.091 1.00 0.00 H new ATOM 0 HB3 LYS A 104 19.414 3.808 -9.451 1.00 0.00 H new ATOM 0 HG2 LYS A 104 19.423 1.394 -9.186 1.00 0.00 H new ATOM 0 HG3 LYS A 104 17.695 1.288 -9.456 1.00 0.00 H new ATOM 0 HD2 LYS A 104 18.076 2.084 -11.844 1.00 0.00 H new ATOM 0 HD3 LYS A 104 19.802 2.019 -11.548 1.00 0.00 H new ATOM 0 HE2 LYS A 104 19.679 -0.382 -10.995 1.00 0.00 H new ATOM 0 HE3 LYS A 104 17.928 -0.354 -11.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 19.217 -1.231 -13.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 17.946 -0.146 -13.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 19.555 0.395 -13.429 1.00 0.00 H new ATOM 1335 N ASN A 105 16.996 5.698 -7.410 1.00 0.00 N ATOM 1336 CA ASN A 105 17.047 7.099 -6.935 1.00 0.00 C ATOM 1337 C ASN A 105 16.214 7.392 -5.662 1.00 0.00 C ATOM 1338 O ASN A 105 16.493 8.356 -4.952 1.00 0.00 O ATOM 1339 CB ASN A 105 16.624 8.002 -8.115 1.00 0.00 C ATOM 1340 CG ASN A 105 17.673 8.129 -9.210 1.00 0.00 C ATOM 1341 OD1 ASN A 105 18.747 7.553 -9.172 1.00 0.00 O ATOM 1342 ND2 ASN A 105 17.408 8.941 -10.210 1.00 0.00 N ATOM 0 H ASN A 105 16.078 5.422 -7.759 1.00 0.00 H new ATOM 0 HA ASN A 105 18.069 7.308 -6.617 1.00 0.00 H new ATOM 0 HB2 ASN A 105 15.707 7.606 -8.550 1.00 0.00 H new ATOM 0 HB3 ASN A 105 16.392 8.996 -7.732 1.00 0.00 H new ATOM 0 HD21 ASN A 105 18.099 9.085 -10.947 1.00 0.00 H new ATOM 0 HD22 ASN A 105 16.512 9.427 -10.249 1.00 0.00 H new ATOM 1349 N LEU A 106 15.207 6.577 -5.355 1.00 0.00 N ATOM 1350 CA LEU A 106 14.222 6.734 -4.280 1.00 0.00 C ATOM 1351 C LEU A 106 14.035 5.366 -3.592 1.00 0.00 C ATOM 1352 O LEU A 106 13.730 4.374 -4.254 1.00 0.00 O ATOM 1353 CB LEU A 106 12.917 7.251 -4.933 1.00 0.00 C ATOM 1354 CG LEU A 106 11.864 7.915 -4.023 1.00 0.00 C ATOM 1355 CD1 LEU A 106 10.656 8.300 -4.878 1.00 0.00 C ATOM 1356 CD2 LEU A 106 11.346 7.036 -2.887 1.00 0.00 C ATOM 0 H LEU A 106 15.044 5.724 -5.890 1.00 0.00 H new ATOM 0 HA LEU A 106 14.537 7.445 -3.516 1.00 0.00 H new ATOM 0 HB2 LEU A 106 13.192 7.970 -5.705 1.00 0.00 H new ATOM 0 HB3 LEU A 106 12.440 6.410 -5.437 1.00 0.00 H new ATOM 0 HG LEU A 106 12.368 8.767 -3.566 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.901 8.771 -4.249 1.00 0.00 H new ATOM 0 HD12 LEU A 106 10.968 8.997 -5.655 1.00 0.00 H new ATOM 0 HD13 LEU A 106 10.237 7.406 -5.340 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.611 7.591 -2.304 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.880 6.142 -3.302 1.00 0.00 H new ATOM 0 HD23 LEU A 106 12.177 6.747 -2.243 1.00 0.00 H new