USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 666 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 72 HIS : no HD1:sc= 1.15 K(o=1.2,f=-4.6!) USER MOD Set 1.2: A 93 LYS NZ :NH3+ -170:sc= 0 (180deg=0) USER MOD Set 2.1: A 73 MET CE :methyl -168:sc= -0.0156 (180deg=-0.204) USER MOD Set 2.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 61 MET CE :methyl -176:sc= 0 (180deg=-0.0114) USER MOD Set 3.2: A 66 TYR OH : rot 30:sc= 0 USER MOD Set 4.1: A 59 TYR OH : rot 180:sc= 0.0103 USER MOD Set 4.2: A 63 LYS NZ :NH3+ 141:sc= 0.169 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.21) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= 0.706 K(o=0.71,f=-2.7!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl -175:sc= 0 (180deg=-0.0529) USER MOD Single : A 48 THR OG1 : rot -81:sc= 0.721 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 164:sc= -0.0555 (180deg=-0.358) 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= 0.0739 USER MOD Single : A 58 GLN : amide:sc= 0.896 K(o=0.9,f=-0.56) USER MOD Single : A 64 GLN : amide:sc= 0.102 X(o=0.1,f=0) USER MOD Single : A 68 GLN : amide:sc= -2.93! C(o=-2.9!,f=-3.7!) USER MOD Single : A 69 GLN : amide:sc=-0.00896 X(o=-0.009,f=-0.009) USER MOD Single : A 71 GLN : amide:sc= 1.37 K(o=1.4,f=-0.0033) USER MOD Single : A 76 CYS SG : rot 168:sc= -0.836 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 115:sc= 0.432 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 101 MET CE :methyl -169:sc= -2.4! (180deg=-3.01!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0.274 K(o=0.27,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 51 N GLN A 26 10.609 8.655 8.221 1.00 0.00 N ATOM 52 CA GLN A 26 10.747 8.087 6.867 1.00 0.00 C ATOM 53 C GLN A 26 12.170 8.258 6.305 1.00 0.00 C ATOM 54 O GLN A 26 13.093 8.663 7.011 1.00 0.00 O ATOM 55 CB GLN A 26 9.654 8.605 5.925 1.00 0.00 C ATOM 56 CG GLN A 26 8.242 8.243 6.391 1.00 0.00 C ATOM 57 CD GLN A 26 7.975 6.750 6.637 1.00 0.00 C ATOM 58 OE1 GLN A 26 7.277 6.373 7.568 1.00 0.00 O ATOM 59 NE2 GLN A 26 8.489 5.839 5.830 1.00 0.00 N ATOM 0 HA GLN A 26 10.595 7.011 6.946 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.737 9.689 5.843 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.818 8.196 4.928 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.035 8.785 7.314 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.532 8.600 5.645 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.075 6.125 5.045 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.300 4.850 5.991 1.00 0.00 H new ATOM 68 N VAL A 27 12.352 7.876 5.039 1.00 0.00 N ATOM 69 CA VAL A 27 13.666 7.719 4.381 1.00 0.00 C ATOM 70 C VAL A 27 14.059 8.848 3.411 1.00 0.00 C ATOM 71 O VAL A 27 13.220 9.601 2.919 1.00 0.00 O ATOM 72 CB VAL A 27 13.742 6.296 3.767 1.00 0.00 C ATOM 73 CG1 VAL A 27 12.638 6.059 2.724 1.00 0.00 C ATOM 74 CG2 VAL A 27 15.098 5.933 3.148 1.00 0.00 C ATOM 0 H VAL A 27 11.571 7.659 4.419 1.00 0.00 H new ATOM 0 HA VAL A 27 14.436 7.821 5.146 1.00 0.00 H new ATOM 0 HB VAL A 27 13.596 5.639 4.624 1.00 0.00 H new ATOM 0 HG11 VAL A 27 12.729 5.051 2.320 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.662 6.174 3.195 1.00 0.00 H new ATOM 0 HG13 VAL A 27 12.739 6.784 1.916 1.00 0.00 H new ATOM 0 HG21 VAL A 27 15.055 4.921 2.745 1.00 0.00 H new ATOM 0 HG22 VAL A 27 15.331 6.633 2.346 1.00 0.00 H new ATOM 0 HG23 VAL A 27 15.873 5.986 3.913 1.00 0.00 H new ATOM 84 N ARG A 28 15.376 8.992 3.197 1.00 0.00 N ATOM 85 CA ARG A 28 16.052 10.097 2.496 1.00 0.00 C ATOM 86 C ARG A 28 16.682 9.639 1.160 1.00 0.00 C ATOM 87 O ARG A 28 17.436 8.662 1.171 1.00 0.00 O ATOM 88 CB ARG A 28 17.095 10.668 3.479 1.00 0.00 C ATOM 89 CG ARG A 28 17.908 11.863 2.956 1.00 0.00 C ATOM 90 CD ARG A 28 18.651 12.535 4.119 1.00 0.00 C ATOM 91 NE ARG A 28 19.388 13.739 3.691 1.00 0.00 N ATOM 92 CZ ARG A 28 20.626 13.836 3.251 1.00 0.00 C ATOM 93 NH1 ARG A 28 21.386 12.803 3.014 1.00 0.00 N ATOM 94 NH2 ARG A 28 21.107 15.025 3.060 1.00 0.00 N ATOM 0 H ARG A 28 16.041 8.295 3.530 1.00 0.00 H new ATOM 0 HA ARG A 28 15.338 10.870 2.211 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.582 10.971 4.392 1.00 0.00 H new ATOM 0 HB3 ARG A 28 17.787 9.871 3.752 1.00 0.00 H new ATOM 0 HG2 ARG A 28 18.621 11.528 2.202 1.00 0.00 H new ATOM 0 HG3 ARG A 28 17.246 12.581 2.472 1.00 0.00 H new ATOM 0 HD2 ARG A 28 17.936 12.806 4.896 1.00 0.00 H new ATOM 0 HD3 ARG A 28 19.348 11.823 4.562 1.00 0.00 H new ATOM 0 HE ARG A 28 18.869 14.615 3.743 1.00 0.00 H new ATOM 0 HH11 ARG A 28 21.028 11.860 3.169 1.00 0.00 H new ATOM 0 HH12 ARG A 28 22.338 12.938 2.674 1.00 0.00 H new ATOM 0 HH21 ARG A 28 20.531 15.845 3.250 1.00 0.00 H new ATOM 0 HH22 ARG A 28 22.062 15.140 2.720 1.00 0.00 H new ATOM 108 N PRO A 29 16.424 10.324 0.023 1.00 0.00 N ATOM 109 CA PRO A 29 17.140 10.102 -1.242 1.00 0.00 C ATOM 110 C PRO A 29 18.625 10.499 -1.147 1.00 0.00 C ATOM 111 O PRO A 29 19.019 11.237 -0.240 1.00 0.00 O ATOM 112 CB PRO A 29 16.429 10.964 -2.299 1.00 0.00 C ATOM 113 CG PRO A 29 15.153 11.479 -1.632 1.00 0.00 C ATOM 114 CD PRO A 29 15.429 11.371 -0.137 1.00 0.00 C ATOM 0 HA PRO A 29 17.124 9.043 -1.499 1.00 0.00 H new ATOM 0 HB2 PRO A 29 17.063 11.791 -2.619 1.00 0.00 H new ATOM 0 HB3 PRO A 29 16.196 10.378 -3.188 1.00 0.00 H new ATOM 0 HG2 PRO A 29 14.942 12.508 -1.923 1.00 0.00 H new ATOM 0 HG3 PRO A 29 14.287 10.882 -1.919 1.00 0.00 H new ATOM 0 HD2 PRO A 29 15.795 12.318 0.260 1.00 0.00 H new ATOM 0 HD3 PRO A 29 14.518 11.127 0.409 1.00 0.00 H new ATOM 122 N LYS A 30 19.452 10.087 -2.118 1.00 0.00 N ATOM 123 CA LYS A 30 20.833 10.592 -2.248 1.00 0.00 C ATOM 124 C LYS A 30 20.852 12.088 -2.562 1.00 0.00 C ATOM 125 O LYS A 30 19.921 12.603 -3.172 1.00 0.00 O ATOM 126 CB LYS A 30 21.592 9.820 -3.339 1.00 0.00 C ATOM 127 CG LYS A 30 22.030 8.428 -2.877 1.00 0.00 C ATOM 128 CD LYS A 30 22.943 7.760 -3.921 1.00 0.00 C ATOM 129 CE LYS A 30 24.402 8.233 -3.792 1.00 0.00 C ATOM 130 NZ LYS A 30 25.301 7.521 -4.744 1.00 0.00 N ATOM 0 H LYS A 30 19.191 9.403 -2.829 1.00 0.00 H new ATOM 0 HA LYS A 30 21.330 10.437 -1.290 1.00 0.00 H new ATOM 0 HB2 LYS A 30 20.957 9.724 -4.220 1.00 0.00 H new ATOM 0 HB3 LYS A 30 22.470 10.392 -3.640 1.00 0.00 H new ATOM 0 HG2 LYS A 30 22.556 8.506 -1.926 1.00 0.00 H new ATOM 0 HG3 LYS A 30 21.152 7.805 -2.705 1.00 0.00 H new ATOM 0 HD2 LYS A 30 22.900 6.677 -3.801 1.00 0.00 H new ATOM 0 HD3 LYS A 30 22.575 7.985 -4.922 1.00 0.00 H new ATOM 0 HE2 LYS A 30 24.454 9.306 -3.977 1.00 0.00 H new ATOM 0 HE3 LYS A 30 24.749 8.068 -2.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 26.275 7.867 -4.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 25.271 6.499 -4.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 24.985 7.699 -5.719 1.00 0.00 H new ATOM 144 N LEU A 31 21.962 12.754 -2.241 1.00 0.00 N ATOM 145 CA LEU A 31 22.213 14.183 -2.497 1.00 0.00 C ATOM 146 C LEU A 31 21.808 14.670 -3.911 1.00 0.00 C ATOM 147 O LEU A 31 21.052 15.641 -3.989 1.00 0.00 O ATOM 148 CB LEU A 31 23.700 14.472 -2.194 1.00 0.00 C ATOM 149 CG LEU A 31 24.068 14.531 -0.697 1.00 0.00 C ATOM 150 CD1 LEU A 31 25.584 14.655 -0.549 1.00 0.00 C ATOM 151 CD2 LEU A 31 23.427 15.722 0.019 1.00 0.00 C ATOM 0 H LEU A 31 22.747 12.298 -1.776 1.00 0.00 H new ATOM 0 HA LEU A 31 21.564 14.755 -1.834 1.00 0.00 H new ATOM 0 HB2 LEU A 31 24.307 13.702 -2.670 1.00 0.00 H new ATOM 0 HB3 LEU A 31 23.970 15.422 -2.655 1.00 0.00 H new ATOM 0 HG LEU A 31 23.694 13.613 -0.244 1.00 0.00 H new ATOM 0 HD11 LEU A 31 25.844 14.697 0.509 1.00 0.00 H new ATOM 0 HD12 LEU A 31 26.066 13.792 -1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 31 25.925 15.565 -1.043 1.00 0.00 H new ATOM 0 HD21 LEU A 31 23.719 15.715 1.069 1.00 0.00 H new ATOM 0 HD22 LEU A 31 23.763 16.649 -0.445 1.00 0.00 H new ATOM 0 HD23 LEU A 31 22.342 15.651 -0.056 1.00 0.00 H new ATOM 163 N PRO A 32 22.216 14.019 -5.026 1.00 0.00 N ATOM 164 CA PRO A 32 21.777 14.419 -6.366 1.00 0.00 C ATOM 165 C PRO A 32 20.278 14.202 -6.616 1.00 0.00 C ATOM 166 O PRO A 32 19.659 15.061 -7.237 1.00 0.00 O ATOM 167 CB PRO A 32 22.647 13.629 -7.352 1.00 0.00 C ATOM 168 CG PRO A 32 23.111 12.421 -6.542 1.00 0.00 C ATOM 169 CD PRO A 32 23.264 13.013 -5.145 1.00 0.00 C ATOM 0 HA PRO A 32 21.904 15.494 -6.492 1.00 0.00 H new ATOM 0 HB2 PRO A 32 22.080 13.326 -8.232 1.00 0.00 H new ATOM 0 HB3 PRO A 32 23.491 14.222 -7.705 1.00 0.00 H new ATOM 0 HG2 PRO A 32 22.382 11.611 -6.564 1.00 0.00 H new ATOM 0 HG3 PRO A 32 24.050 12.015 -6.918 1.00 0.00 H new ATOM 0 HD2 PRO A 32 23.157 12.244 -4.380 1.00 0.00 H new ATOM 0 HD3 PRO A 32 24.250 13.458 -5.014 1.00 0.00 H new ATOM 177 N LEU A 33 19.660 13.117 -6.115 1.00 0.00 N ATOM 178 CA LEU A 33 18.217 12.882 -6.317 1.00 0.00 C ATOM 179 C LEU A 33 17.359 13.847 -5.478 1.00 0.00 C ATOM 180 O LEU A 33 16.407 14.434 -5.987 1.00 0.00 O ATOM 181 CB LEU A 33 17.853 11.401 -6.047 1.00 0.00 C ATOM 182 CG LEU A 33 18.373 10.315 -7.024 1.00 0.00 C ATOM 183 CD1 LEU A 33 17.223 9.388 -7.428 1.00 0.00 C ATOM 184 CD2 LEU A 33 19.035 10.816 -8.310 1.00 0.00 C ATOM 0 H LEU A 33 20.132 12.394 -5.572 1.00 0.00 H new ATOM 0 HA LEU A 33 17.990 13.090 -7.363 1.00 0.00 H new ATOM 0 HB2 LEU A 33 18.214 11.149 -5.050 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.766 11.328 -6.020 1.00 0.00 H new ATOM 0 HG LEU A 33 19.155 9.810 -6.457 1.00 0.00 H new ATOM 0 HD11 LEU A 33 17.593 8.627 -8.115 1.00 0.00 H new ATOM 0 HD12 LEU A 33 16.814 8.907 -6.539 1.00 0.00 H new ATOM 0 HD13 LEU A 33 16.442 9.969 -7.918 1.00 0.00 H new ATOM 0 HD21 LEU A 33 19.356 9.964 -8.910 1.00 0.00 H new ATOM 0 HD22 LEU A 33 18.321 11.411 -8.879 1.00 0.00 H new ATOM 0 HD23 LEU A 33 19.900 11.430 -8.059 1.00 0.00 H new ATOM 196 N LEU A 34 17.744 14.086 -4.223 1.00 0.00 N ATOM 197 CA LEU A 34 17.125 15.042 -3.291 1.00 0.00 C ATOM 198 C LEU A 34 17.117 16.478 -3.836 1.00 0.00 C ATOM 199 O LEU A 34 16.195 17.238 -3.545 1.00 0.00 O ATOM 200 CB LEU A 34 17.910 14.945 -1.966 1.00 0.00 C ATOM 201 CG LEU A 34 17.436 15.848 -0.811 1.00 0.00 C ATOM 202 CD1 LEU A 34 15.981 15.585 -0.417 1.00 0.00 C ATOM 203 CD2 LEU A 34 18.310 15.585 0.415 1.00 0.00 C ATOM 0 H LEU A 34 18.535 13.596 -3.804 1.00 0.00 H new ATOM 0 HA LEU A 34 16.075 14.789 -3.144 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.875 13.910 -1.625 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.955 15.177 -2.172 1.00 0.00 H new ATOM 0 HG LEU A 34 17.515 16.879 -1.155 1.00 0.00 H new ATOM 0 HD11 LEU A 34 15.700 16.248 0.401 1.00 0.00 H new ATOM 0 HD12 LEU A 34 15.333 15.770 -1.274 1.00 0.00 H new ATOM 0 HD13 LEU A 34 15.872 14.549 -0.097 1.00 0.00 H new ATOM 0 HD21 LEU A 34 17.982 16.220 1.238 1.00 0.00 H new ATOM 0 HD22 LEU A 34 18.222 14.538 0.707 1.00 0.00 H new ATOM 0 HD23 LEU A 34 19.350 15.809 0.176 1.00 0.00 H new ATOM 215 N LYS A 35 18.112 16.857 -4.649 1.00 0.00 N ATOM 216 CA LYS A 35 18.245 18.200 -5.222 1.00 0.00 C ATOM 217 C LYS A 35 17.015 18.632 -6.014 1.00 0.00 C ATOM 218 O LYS A 35 16.608 19.783 -5.925 1.00 0.00 O ATOM 219 CB LYS A 35 19.517 18.243 -6.095 1.00 0.00 C ATOM 220 CG LYS A 35 20.217 19.599 -5.975 1.00 0.00 C ATOM 221 CD LYS A 35 20.950 19.735 -4.628 1.00 0.00 C ATOM 222 CE LYS A 35 22.293 18.987 -4.626 1.00 0.00 C ATOM 223 NZ LYS A 35 23.103 19.322 -3.421 1.00 0.00 N ATOM 0 H LYS A 35 18.861 16.225 -4.931 1.00 0.00 H new ATOM 0 HA LYS A 35 18.331 18.914 -4.403 1.00 0.00 H new ATOM 0 HB2 LYS A 35 20.199 17.449 -5.790 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.255 18.056 -7.136 1.00 0.00 H new ATOM 0 HG2 LYS A 35 20.929 19.716 -6.792 1.00 0.00 H new ATOM 0 HG3 LYS A 35 19.483 20.399 -6.074 1.00 0.00 H new ATOM 0 HD2 LYS A 35 21.122 20.790 -4.414 1.00 0.00 H new ATOM 0 HD3 LYS A 35 20.317 19.347 -3.830 1.00 0.00 H new ATOM 0 HE2 LYS A 35 22.112 17.913 -4.657 1.00 0.00 H new ATOM 0 HE3 LYS A 35 22.854 19.242 -5.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 24.002 18.801 -3.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 23.296 20.344 -3.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 22.577 19.056 -2.564 1.00 0.00 H new ATOM 237 N ILE A 36 16.375 17.697 -6.715 1.00 0.00 N ATOM 238 CA ILE A 36 15.147 17.924 -7.478 1.00 0.00 C ATOM 239 C ILE A 36 13.987 18.262 -6.524 1.00 0.00 C ATOM 240 O ILE A 36 13.270 19.236 -6.735 1.00 0.00 O ATOM 241 CB ILE A 36 14.856 16.665 -8.319 1.00 0.00 C ATOM 242 CG1 ILE A 36 15.914 16.450 -9.420 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.488 16.769 -9.014 1.00 0.00 C ATOM 244 CD1 ILE A 36 17.330 16.040 -9.016 1.00 0.00 C ATOM 0 H ILE A 36 16.705 16.733 -6.770 1.00 0.00 H new ATOM 0 HA ILE A 36 15.264 18.774 -8.151 1.00 0.00 H new ATOM 0 HB ILE A 36 14.872 15.828 -7.621 1.00 0.00 H new ATOM 0 HG12 ILE A 36 15.532 15.688 -10.099 1.00 0.00 H new ATOM 0 HG13 ILE A 36 15.989 17.376 -9.990 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.308 15.868 -9.600 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.705 16.875 -8.263 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.479 17.638 -9.672 1.00 0.00 H new ATOM 0 HD11 ILE A 36 17.946 15.931 -9.909 1.00 0.00 H new ATOM 0 HD12 ILE A 36 17.760 16.805 -8.370 1.00 0.00 H new ATOM 0 HD13 ILE A 36 17.295 15.091 -8.481 1.00 0.00 H new ATOM 256 N LEU A 37 13.841 17.503 -5.431 1.00 0.00 N ATOM 257 CA LEU A 37 12.789 17.697 -4.428 1.00 0.00 C ATOM 258 C LEU A 37 12.951 19.064 -3.741 1.00 0.00 C ATOM 259 O LEU A 37 11.986 19.806 -3.572 1.00 0.00 O ATOM 260 CB LEU A 37 12.855 16.555 -3.388 1.00 0.00 C ATOM 261 CG LEU A 37 12.414 15.144 -3.823 1.00 0.00 C ATOM 262 CD1 LEU A 37 13.179 14.529 -4.991 1.00 0.00 C ATOM 263 CD2 LEU A 37 12.599 14.220 -2.625 1.00 0.00 C ATOM 0 H LEU A 37 14.462 16.723 -5.216 1.00 0.00 H new ATOM 0 HA LEU A 37 11.815 17.677 -4.918 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.884 16.487 -3.034 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.242 16.847 -2.535 1.00 0.00 H new ATOM 0 HG LEU A 37 11.385 15.250 -4.166 1.00 0.00 H new ATOM 0 HD11 LEU A 37 12.780 13.538 -5.206 1.00 0.00 H new ATOM 0 HD12 LEU A 37 13.070 15.162 -5.871 1.00 0.00 H new ATOM 0 HD13 LEU A 37 14.235 14.447 -4.732 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.296 13.208 -2.895 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.647 14.217 -2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.986 14.573 -1.795 1.00 0.00 H new ATOM 275 N HIS A 38 14.187 19.434 -3.395 1.00 0.00 N ATOM 276 CA HIS A 38 14.516 20.714 -2.757 1.00 0.00 C ATOM 277 C HIS A 38 14.371 21.901 -3.709 1.00 0.00 C ATOM 278 O HIS A 38 13.772 22.902 -3.321 1.00 0.00 O ATOM 279 CB HIS A 38 15.916 20.617 -2.131 1.00 0.00 C ATOM 280 CG HIS A 38 15.918 19.950 -0.771 1.00 0.00 C ATOM 281 ND1 HIS A 38 16.922 20.083 0.193 1.00 0.00 N ATOM 282 CD2 HIS A 38 14.891 19.225 -0.235 1.00 0.00 C ATOM 283 CE1 HIS A 38 16.472 19.439 1.285 1.00 0.00 C ATOM 284 NE2 HIS A 38 15.254 18.917 1.056 1.00 0.00 N ATOM 0 H HIS A 38 15.003 18.842 -3.553 1.00 0.00 H new ATOM 0 HA HIS A 38 13.794 20.908 -1.964 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.569 20.060 -2.803 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.335 21.619 -2.038 1.00 0.00 H new ATOM 0 HD2 HIS A 38 13.972 18.947 -0.729 1.00 0.00 H new ATOM 0 HE1 HIS A 38 17.013 19.353 2.216 1.00 0.00 H new ATOM 0 HE2 HIS A 38 14.696 18.385 1.724 1.00 0.00 H new ATOM 292 N ALA A 39 14.777 21.760 -4.975 1.00 0.00 N ATOM 293 CA ALA A 39 14.567 22.763 -6.019 1.00 0.00 C ATOM 294 C ALA A 39 13.075 23.052 -6.253 1.00 0.00 C ATOM 295 O ALA A 39 12.714 24.160 -6.658 1.00 0.00 O ATOM 296 CB ALA A 39 15.261 22.287 -7.297 1.00 0.00 C ATOM 0 H ALA A 39 15.269 20.930 -5.307 1.00 0.00 H new ATOM 0 HA ALA A 39 15.004 23.709 -5.699 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.114 23.024 -8.087 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.328 22.165 -7.108 1.00 0.00 H new ATOM 0 HB3 ALA A 39 14.836 21.333 -7.608 1.00 0.00 H new ATOM 302 N ALA A 40 12.210 22.082 -5.939 1.00 0.00 N ATOM 303 CA ALA A 40 10.768 22.266 -5.928 1.00 0.00 C ATOM 304 C ALA A 40 10.208 22.847 -4.612 1.00 0.00 C ATOM 305 O ALA A 40 9.108 23.400 -4.631 1.00 0.00 O ATOM 306 CB ALA A 40 10.111 20.926 -6.257 1.00 0.00 C ATOM 0 H ALA A 40 12.502 21.139 -5.683 1.00 0.00 H new ATOM 0 HA ALA A 40 10.530 23.017 -6.682 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.027 21.042 -6.254 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.438 20.593 -7.242 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.399 20.186 -5.510 1.00 0.00 H new ATOM 312 N GLY A 41 10.916 22.708 -3.482 1.00 0.00 N ATOM 313 CA GLY A 41 10.442 23.080 -2.143 1.00 0.00 C ATOM 314 C GLY A 41 9.743 21.922 -1.418 1.00 0.00 C ATOM 315 O GLY A 41 8.514 21.903 -1.306 1.00 0.00 O ATOM 0 H GLY A 41 11.860 22.323 -3.475 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.287 23.420 -1.545 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.752 23.920 -2.227 1.00 0.00 H new ATOM 319 N ALA A 42 10.527 20.952 -0.934 1.00 0.00 N ATOM 320 CA ALA A 42 10.044 19.810 -0.149 1.00 0.00 C ATOM 321 C ALA A 42 9.827 20.136 1.344 1.00 0.00 C ATOM 322 O ALA A 42 10.342 21.129 1.863 1.00 0.00 O ATOM 323 CB ALA A 42 11.000 18.629 -0.343 1.00 0.00 C ATOM 0 H ALA A 42 11.536 20.939 -1.080 1.00 0.00 H new ATOM 0 HA ALA A 42 9.055 19.544 -0.521 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.648 17.776 0.237 1.00 0.00 H new ATOM 0 HB2 ALA A 42 11.036 18.359 -1.399 1.00 0.00 H new ATOM 0 HB3 ALA A 42 11.998 18.910 -0.006 1.00 0.00 H new ATOM 329 N GLN A 43 9.095 19.264 2.050 1.00 0.00 N ATOM 330 CA GLN A 43 8.706 19.437 3.462 1.00 0.00 C ATOM 331 C GLN A 43 9.695 18.780 4.458 1.00 0.00 C ATOM 332 O GLN A 43 9.316 18.359 5.553 1.00 0.00 O ATOM 333 CB GLN A 43 7.237 18.992 3.627 1.00 0.00 C ATOM 334 CG GLN A 43 6.514 19.679 4.798 1.00 0.00 C ATOM 335 CD GLN A 43 5.064 19.211 4.921 1.00 0.00 C ATOM 336 OE1 GLN A 43 4.718 18.365 5.738 1.00 0.00 O ATOM 337 NE2 GLN A 43 4.155 19.732 4.120 1.00 0.00 N ATOM 0 H GLN A 43 8.746 18.394 1.647 1.00 0.00 H new ATOM 0 HA GLN A 43 8.769 20.493 3.727 1.00 0.00 H new ATOM 0 HB2 GLN A 43 6.697 19.202 2.704 1.00 0.00 H new ATOM 0 HB3 GLN A 43 7.207 17.913 3.776 1.00 0.00 H new ATOM 0 HG2 GLN A 43 7.044 19.468 5.727 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.537 20.759 4.656 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.424 20.437 3.434 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.183 19.430 4.187 1.00 0.00 H new ATOM 346 N GLY A 44 10.970 18.667 4.070 1.00 0.00 N ATOM 347 CA GLY A 44 12.041 18.044 4.861 1.00 0.00 C ATOM 348 C GLY A 44 13.099 17.336 4.010 1.00 0.00 C ATOM 349 O GLY A 44 13.340 17.698 2.858 1.00 0.00 O ATOM 0 H GLY A 44 11.297 19.017 3.169 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.526 18.809 5.466 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.600 17.324 5.551 1.00 0.00 H new ATOM 353 N GLU A 45 13.723 16.308 4.588 1.00 0.00 N ATOM 354 CA GLU A 45 14.667 15.390 3.918 1.00 0.00 C ATOM 355 C GLU A 45 14.287 13.902 4.082 1.00 0.00 C ATOM 356 O GLU A 45 14.980 13.028 3.573 1.00 0.00 O ATOM 357 CB GLU A 45 16.092 15.646 4.440 1.00 0.00 C ATOM 358 CG GLU A 45 16.628 17.031 4.061 1.00 0.00 C ATOM 359 CD GLU A 45 18.080 17.210 4.540 1.00 0.00 C ATOM 360 OE1 GLU A 45 18.988 16.548 3.979 1.00 0.00 O ATOM 361 OE2 GLU A 45 18.325 18.007 5.479 1.00 0.00 O ATOM 0 H GLU A 45 13.585 16.077 5.572 1.00 0.00 H new ATOM 0 HA GLU A 45 14.618 15.599 2.849 1.00 0.00 H new ATOM 0 HB2 GLU A 45 16.099 15.544 5.525 1.00 0.00 H new ATOM 0 HB3 GLU A 45 16.761 14.882 4.043 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.579 17.160 2.980 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.998 17.802 4.503 1.00 0.00 H new ATOM 368 N MET A 46 13.197 13.600 4.794 1.00 0.00 N ATOM 369 CA MET A 46 12.729 12.249 5.142 1.00 0.00 C ATOM 370 C MET A 46 11.256 12.127 4.739 1.00 0.00 C ATOM 371 O MET A 46 10.417 12.841 5.284 1.00 0.00 O ATOM 372 CB MET A 46 12.886 12.047 6.659 1.00 0.00 C ATOM 373 CG MET A 46 14.356 11.888 7.063 1.00 0.00 C ATOM 374 SD MET A 46 14.643 11.544 8.825 1.00 0.00 S ATOM 375 CE MET A 46 14.104 13.107 9.575 1.00 0.00 C ATOM 0 H MET A 46 12.584 14.326 5.164 1.00 0.00 H new ATOM 0 HA MET A 46 13.310 11.489 4.619 1.00 0.00 H new ATOM 0 HB2 MET A 46 12.454 12.898 7.186 1.00 0.00 H new ATOM 0 HB3 MET A 46 12.327 11.164 6.968 1.00 0.00 H new ATOM 0 HG2 MET A 46 14.792 11.080 6.476 1.00 0.00 H new ATOM 0 HG3 MET A 46 14.890 12.800 6.796 1.00 0.00 H new ATOM 0 HE1 MET A 46 14.303 13.084 10.646 1.00 0.00 H new ATOM 0 HE2 MET A 46 14.650 13.935 9.122 1.00 0.00 H new ATOM 0 HE3 MET A 46 13.035 13.242 9.407 1.00 0.00 H new ATOM 385 N PHE A 47 10.937 11.248 3.786 1.00 0.00 N ATOM 386 CA PHE A 47 9.578 11.084 3.232 1.00 0.00 C ATOM 387 C PHE A 47 9.343 9.662 2.678 1.00 0.00 C ATOM 388 O PHE A 47 10.281 8.895 2.457 1.00 0.00 O ATOM 389 CB PHE A 47 9.296 12.130 2.127 1.00 0.00 C ATOM 390 CG PHE A 47 10.377 13.155 1.837 1.00 0.00 C ATOM 391 CD1 PHE A 47 11.621 12.732 1.337 1.00 0.00 C ATOM 392 CD2 PHE A 47 10.147 14.524 2.067 1.00 0.00 C ATOM 393 CE1 PHE A 47 12.622 13.668 1.053 1.00 0.00 C ATOM 394 CE2 PHE A 47 11.137 15.467 1.740 1.00 0.00 C ATOM 395 CZ PHE A 47 12.371 15.040 1.217 1.00 0.00 C ATOM 0 H PHE A 47 11.621 10.618 3.367 1.00 0.00 H new ATOM 0 HA PHE A 47 8.885 11.243 4.058 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.085 11.593 1.202 1.00 0.00 H new ATOM 0 HB3 PHE A 47 8.387 12.668 2.397 1.00 0.00 H new ATOM 0 HD1 PHE A 47 11.805 11.681 1.171 1.00 0.00 H new ATOM 0 HD2 PHE A 47 9.210 14.850 2.495 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.589 13.335 0.707 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.950 16.520 1.890 1.00 0.00 H new ATOM 0 HZ PHE A 47 13.123 15.765 0.942 1.00 0.00 H new ATOM 405 N THR A 48 8.083 9.301 2.437 1.00 0.00 N ATOM 406 CA THR A 48 7.674 8.067 1.725 1.00 0.00 C ATOM 407 C THR A 48 7.777 8.200 0.200 1.00 0.00 C ATOM 408 O THR A 48 7.858 9.307 -0.318 1.00 0.00 O ATOM 409 CB THR A 48 6.231 7.679 2.087 1.00 0.00 C ATOM 410 OG1 THR A 48 5.371 8.768 1.881 1.00 0.00 O ATOM 411 CG2 THR A 48 6.079 7.232 3.529 1.00 0.00 C ATOM 0 H THR A 48 7.289 9.867 2.735 1.00 0.00 H new ATOM 0 HA THR A 48 8.367 7.291 2.049 1.00 0.00 H new ATOM 0 HB THR A 48 5.974 6.841 1.439 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.425 9.377 2.647 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.038 6.972 3.722 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.710 6.361 3.708 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.380 8.041 4.194 1.00 0.00 H new ATOM 419 N VAL A 49 7.682 7.080 -0.538 1.00 0.00 N ATOM 420 CA VAL A 49 7.691 6.978 -2.018 1.00 0.00 C ATOM 421 C VAL A 49 6.655 7.913 -2.651 1.00 0.00 C ATOM 422 O VAL A 49 6.929 8.641 -3.609 1.00 0.00 O ATOM 423 CB VAL A 49 7.509 5.512 -2.463 1.00 0.00 C ATOM 424 CG1 VAL A 49 6.122 4.911 -2.219 1.00 0.00 C ATOM 425 CG2 VAL A 49 7.887 5.321 -3.936 1.00 0.00 C ATOM 0 H VAL A 49 7.591 6.165 -0.097 1.00 0.00 H new ATOM 0 HA VAL A 49 8.665 7.308 -2.379 1.00 0.00 H new ATOM 0 HB VAL A 49 8.193 4.965 -1.814 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.106 3.879 -2.569 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.897 4.936 -1.153 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.374 5.489 -2.761 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.747 4.277 -4.215 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.253 5.952 -4.559 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.931 5.599 -4.083 1.00 0.00 H new ATOM 435 N LYS A 50 5.478 7.944 -2.021 1.00 0.00 N ATOM 436 CA LYS A 50 4.310 8.705 -2.441 1.00 0.00 C ATOM 437 C LYS A 50 4.468 10.215 -2.214 1.00 0.00 C ATOM 438 O LYS A 50 3.957 11.012 -2.996 1.00 0.00 O ATOM 439 CB LYS A 50 3.104 8.054 -1.750 1.00 0.00 C ATOM 440 CG LYS A 50 3.026 8.288 -0.238 1.00 0.00 C ATOM 441 CD LYS A 50 1.816 7.612 0.413 1.00 0.00 C ATOM 442 CE LYS A 50 1.802 7.939 1.914 1.00 0.00 C ATOM 443 NZ LYS A 50 0.659 7.287 2.610 1.00 0.00 N ATOM 0 H LYS A 50 5.311 7.413 -1.166 1.00 0.00 H new ATOM 0 HA LYS A 50 4.165 8.660 -3.520 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.191 8.433 -2.210 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.132 6.980 -1.936 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.938 7.915 0.229 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.984 9.360 -0.044 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.895 7.959 -0.056 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.863 6.533 0.264 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.738 7.611 2.366 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.743 9.019 2.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.683 7.531 3.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.235 7.619 2.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.729 6.255 2.501 1.00 0.00 H new ATOM 457 N GLU A 51 5.234 10.607 -1.192 1.00 0.00 N ATOM 458 CA GLU A 51 5.653 11.993 -0.955 1.00 0.00 C ATOM 459 C GLU A 51 6.806 12.401 -1.887 1.00 0.00 C ATOM 460 O GLU A 51 6.695 13.416 -2.572 1.00 0.00 O ATOM 461 CB GLU A 51 6.049 12.172 0.517 1.00 0.00 C ATOM 462 CG GLU A 51 4.857 12.042 1.473 1.00 0.00 C ATOM 463 CD GLU A 51 5.334 11.981 2.937 1.00 0.00 C ATOM 464 OE1 GLU A 51 5.951 10.955 3.320 1.00 0.00 O ATOM 465 OE2 GLU A 51 5.082 12.943 3.703 1.00 0.00 O ATOM 0 H GLU A 51 5.588 9.956 -0.491 1.00 0.00 H new ATOM 0 HA GLU A 51 4.811 12.649 -1.178 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.802 11.429 0.779 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.509 13.151 0.648 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.184 12.889 1.340 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.289 11.143 1.233 1.00 0.00 H new ATOM 472 N VAL A 52 7.884 11.603 -1.986 1.00 0.00 N ATOM 473 CA VAL A 52 9.043 11.928 -2.839 1.00 0.00 C ATOM 474 C VAL A 52 8.664 12.136 -4.302 1.00 0.00 C ATOM 475 O VAL A 52 9.068 13.123 -4.916 1.00 0.00 O ATOM 476 CB VAL A 52 10.194 10.911 -2.755 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.893 10.976 -1.399 1.00 0.00 C ATOM 478 CG2 VAL A 52 9.883 9.461 -3.054 1.00 0.00 C ATOM 0 H VAL A 52 7.977 10.721 -1.482 1.00 0.00 H new ATOM 0 HA VAL A 52 9.404 12.870 -2.427 1.00 0.00 H new ATOM 0 HB VAL A 52 10.833 11.239 -3.574 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.701 10.245 -1.371 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.301 11.975 -1.248 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.176 10.754 -0.609 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.791 8.866 -2.955 1.00 0.00 H new ATOM 0 HG22 VAL A 52 9.132 9.098 -2.352 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.501 9.373 -4.071 1.00 0.00 H new ATOM 488 N MET A 53 7.857 11.226 -4.847 1.00 0.00 N ATOM 489 CA MET A 53 7.404 11.317 -6.242 1.00 0.00 C ATOM 490 C MET A 53 6.480 12.526 -6.506 1.00 0.00 C ATOM 491 O MET A 53 6.520 13.088 -7.601 1.00 0.00 O ATOM 492 CB MET A 53 6.833 9.969 -6.719 1.00 0.00 C ATOM 493 CG MET A 53 5.380 9.666 -6.321 1.00 0.00 C ATOM 494 SD MET A 53 4.075 10.531 -7.251 1.00 0.00 S ATOM 495 CE MET A 53 4.360 9.917 -8.937 1.00 0.00 C ATOM 0 H MET A 53 7.500 10.413 -4.345 1.00 0.00 H new ATOM 0 HA MET A 53 8.277 11.521 -6.861 1.00 0.00 H new ATOM 0 HB2 MET A 53 6.905 9.933 -7.806 1.00 0.00 H new ATOM 0 HB3 MET A 53 7.467 9.172 -6.331 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.216 8.593 -6.424 1.00 0.00 H new ATOM 0 HG3 MET A 53 5.260 9.906 -5.265 1.00 0.00 H new ATOM 0 HE1 MET A 53 3.485 10.126 -9.553 1.00 0.00 H new ATOM 0 HE2 MET A 53 5.231 10.415 -9.363 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.535 8.841 -8.908 1.00 0.00 H new ATOM 505 N HIS A 54 5.718 13.002 -5.510 1.00 0.00 N ATOM 506 CA HIS A 54 4.824 14.166 -5.657 1.00 0.00 C ATOM 507 C HIS A 54 5.592 15.467 -5.926 1.00 0.00 C ATOM 508 O HIS A 54 5.176 16.279 -6.756 1.00 0.00 O ATOM 509 CB HIS A 54 3.951 14.312 -4.403 1.00 0.00 C ATOM 510 CG HIS A 54 2.946 15.434 -4.509 1.00 0.00 C ATOM 511 ND1 HIS A 54 1.733 15.378 -5.203 1.00 0.00 N ATOM 512 CD2 HIS A 54 3.088 16.679 -3.967 1.00 0.00 C ATOM 513 CE1 HIS A 54 1.172 16.592 -5.062 1.00 0.00 C ATOM 514 NE2 HIS A 54 1.964 17.392 -4.325 1.00 0.00 N ATOM 0 H HIS A 54 5.703 12.591 -4.577 1.00 0.00 H new ATOM 0 HA HIS A 54 4.193 13.985 -6.527 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.423 13.375 -4.224 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.592 14.487 -3.539 1.00 0.00 H new ATOM 0 HD2 HIS A 54 3.918 17.035 -3.374 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.220 16.884 -5.481 1.00 0.00 H new ATOM 0 HE2 HIS A 54 1.766 18.361 -4.074 1.00 0.00 H new ATOM 522 N TYR A 55 6.758 15.639 -5.292 1.00 0.00 N ATOM 523 CA TYR A 55 7.640 16.782 -5.551 1.00 0.00 C ATOM 524 C TYR A 55 8.148 16.827 -6.999 1.00 0.00 C ATOM 525 O TYR A 55 8.423 17.916 -7.494 1.00 0.00 O ATOM 526 CB TYR A 55 8.824 16.800 -4.576 1.00 0.00 C ATOM 527 CG TYR A 55 8.445 16.828 -3.108 1.00 0.00 C ATOM 528 CD1 TYR A 55 7.699 17.902 -2.587 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.826 15.771 -2.263 1.00 0.00 C ATOM 530 CE1 TYR A 55 7.285 17.888 -1.242 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.433 15.760 -0.912 1.00 0.00 C ATOM 532 CZ TYR A 55 7.654 16.820 -0.399 1.00 0.00 C ATOM 533 OH TYR A 55 7.286 16.843 0.912 1.00 0.00 O ATOM 0 H TYR A 55 7.115 14.993 -4.588 1.00 0.00 H new ATOM 0 HA TYR A 55 7.034 17.674 -5.393 1.00 0.00 H new ATOM 0 HB2 TYR A 55 9.440 15.920 -4.760 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.441 17.672 -4.793 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.444 18.738 -3.221 1.00 0.00 H new ATOM 0 HD2 TYR A 55 9.425 14.962 -2.654 1.00 0.00 H new ATOM 0 HE1 TYR A 55 6.683 18.697 -0.855 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.726 14.943 -0.269 1.00 0.00 H new ATOM 0 HH TYR A 55 7.616 16.035 1.359 1.00 0.00 H new ATOM 543 N LEU A 56 8.245 15.692 -7.707 1.00 0.00 N ATOM 544 CA LEU A 56 8.602 15.688 -9.134 1.00 0.00 C ATOM 545 C LEU A 56 7.498 16.364 -9.961 1.00 0.00 C ATOM 546 O LEU A 56 7.790 17.219 -10.791 1.00 0.00 O ATOM 547 CB LEU A 56 8.849 14.257 -9.651 1.00 0.00 C ATOM 548 CG LEU A 56 9.762 13.365 -8.801 1.00 0.00 C ATOM 549 CD1 LEU A 56 9.899 11.982 -9.431 1.00 0.00 C ATOM 550 CD2 LEU A 56 11.163 13.937 -8.592 1.00 0.00 C ATOM 0 H LEU A 56 8.081 14.765 -7.315 1.00 0.00 H new ATOM 0 HA LEU A 56 9.529 16.250 -9.246 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.884 13.760 -9.750 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.276 14.326 -10.651 1.00 0.00 H new ATOM 0 HG LEU A 56 9.279 13.307 -7.826 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.551 11.364 -8.813 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.916 11.516 -9.502 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.328 12.077 -10.428 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.749 13.250 -7.982 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.650 14.070 -9.558 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.091 14.900 -8.087 1.00 0.00 H new ATOM 562 N GLY A 57 6.230 16.056 -9.674 1.00 0.00 N ATOM 563 CA GLY A 57 5.079 16.696 -10.314 1.00 0.00 C ATOM 564 C GLY A 57 5.056 18.209 -10.100 1.00 0.00 C ATOM 565 O GLY A 57 4.975 18.972 -11.066 1.00 0.00 O ATOM 0 H GLY A 57 5.972 15.349 -8.985 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.098 16.484 -11.383 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.160 16.263 -9.919 1.00 0.00 H new ATOM 569 N GLN A 58 5.258 18.667 -8.857 1.00 0.00 N ATOM 570 CA GLN A 58 5.324 20.105 -8.568 1.00 0.00 C ATOM 571 C GLN A 58 6.566 20.766 -9.193 1.00 0.00 C ATOM 572 O GLN A 58 6.461 21.889 -9.685 1.00 0.00 O ATOM 573 CB GLN A 58 5.167 20.380 -7.058 1.00 0.00 C ATOM 574 CG GLN A 58 6.476 20.665 -6.297 1.00 0.00 C ATOM 575 CD GLN A 58 6.278 20.760 -4.779 1.00 0.00 C ATOM 576 OE1 GLN A 58 5.422 20.121 -4.183 1.00 0.00 O ATOM 577 NE2 GLN A 58 7.088 21.526 -4.080 1.00 0.00 N ATOM 0 H GLN A 58 5.378 18.067 -8.041 1.00 0.00 H new ATOM 0 HA GLN A 58 4.473 20.584 -9.052 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.499 21.232 -6.929 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.680 19.520 -6.598 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.196 19.876 -6.515 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.906 21.598 -6.661 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.811 22.069 -4.553 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.993 21.577 -3.066 1.00 0.00 H new ATOM 586 N TYR A 59 7.716 20.073 -9.234 1.00 0.00 N ATOM 587 CA TYR A 59 8.933 20.550 -9.892 1.00 0.00 C ATOM 588 C TYR A 59 8.657 20.792 -11.380 1.00 0.00 C ATOM 589 O TYR A 59 8.915 21.874 -11.885 1.00 0.00 O ATOM 590 CB TYR A 59 10.069 19.527 -9.723 1.00 0.00 C ATOM 591 CG TYR A 59 11.382 19.861 -10.408 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.530 19.569 -11.777 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.478 20.368 -9.679 1.00 0.00 C ATOM 594 CE1 TYR A 59 12.783 19.704 -12.400 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.741 20.473 -10.297 1.00 0.00 C ATOM 596 CZ TYR A 59 13.900 20.106 -11.648 1.00 0.00 C ATOM 597 OH TYR A 59 15.127 20.136 -12.234 1.00 0.00 O ATOM 0 H TYR A 59 7.823 19.154 -8.804 1.00 0.00 H new ATOM 0 HA TYR A 59 9.240 21.488 -9.429 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.261 19.402 -8.657 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.722 18.565 -10.099 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.677 19.240 -12.352 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.350 20.675 -8.651 1.00 0.00 H new ATOM 0 HE1 TYR A 59 12.887 19.499 -13.455 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.588 20.835 -9.734 1.00 0.00 H new ATOM 0 HH TYR A 59 15.794 20.436 -11.582 1.00 0.00 H new ATOM 607 N ILE A 60 8.066 19.825 -12.088 1.00 0.00 N ATOM 608 CA ILE A 60 7.739 19.960 -13.518 1.00 0.00 C ATOM 609 C ILE A 60 6.739 21.102 -13.727 1.00 0.00 C ATOM 610 O ILE A 60 6.899 21.894 -14.654 1.00 0.00 O ATOM 611 CB ILE A 60 7.178 18.630 -14.059 1.00 0.00 C ATOM 612 CG1 ILE A 60 8.194 17.477 -13.943 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.743 18.744 -15.529 1.00 0.00 C ATOM 614 CD1 ILE A 60 7.477 16.136 -13.783 1.00 0.00 C ATOM 0 H ILE A 60 7.799 18.925 -11.689 1.00 0.00 H new ATOM 0 HA ILE A 60 8.648 20.199 -14.071 1.00 0.00 H new ATOM 0 HB ILE A 60 6.310 18.409 -13.438 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.826 17.453 -14.830 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.849 17.648 -13.089 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.354 17.784 -15.869 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.966 19.503 -15.621 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.600 19.026 -16.141 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.214 15.337 -13.703 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.864 16.156 -12.882 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.841 15.958 -14.650 1.00 0.00 H new ATOM 626 N MET A 61 5.738 21.227 -12.853 1.00 0.00 N ATOM 627 CA MET A 61 4.716 22.272 -12.944 1.00 0.00 C ATOM 628 C MET A 61 5.312 23.686 -12.790 1.00 0.00 C ATOM 629 O MET A 61 4.942 24.587 -13.543 1.00 0.00 O ATOM 630 CB MET A 61 3.629 21.986 -11.895 1.00 0.00 C ATOM 631 CG MET A 61 2.339 22.783 -12.120 1.00 0.00 C ATOM 632 SD MET A 61 1.446 22.371 -13.649 1.00 0.00 S ATOM 633 CE MET A 61 1.707 23.895 -14.597 1.00 0.00 C ATOM 0 H MET A 61 5.613 20.602 -12.057 1.00 0.00 H new ATOM 0 HA MET A 61 4.271 22.252 -13.939 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.396 20.921 -11.906 1.00 0.00 H new ATOM 0 HB3 MET A 61 4.021 22.216 -10.904 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.674 22.619 -11.272 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.582 23.845 -12.133 1.00 0.00 H new ATOM 0 HE1 MET A 61 1.161 23.836 -15.538 1.00 0.00 H new ATOM 0 HE2 MET A 61 1.347 24.748 -14.021 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.770 24.018 -14.802 1.00 0.00 H new ATOM 643 N VAL A 62 6.280 23.884 -11.881 1.00 0.00 N ATOM 644 CA VAL A 62 6.989 25.173 -11.729 1.00 0.00 C ATOM 645 C VAL A 62 8.037 25.395 -12.829 1.00 0.00 C ATOM 646 O VAL A 62 8.127 26.484 -13.395 1.00 0.00 O ATOM 647 CB VAL A 62 7.554 25.337 -10.302 1.00 0.00 C ATOM 648 CG1 VAL A 62 8.736 24.437 -9.933 1.00 0.00 C ATOM 649 CG2 VAL A 62 8.013 26.768 -10.038 1.00 0.00 C ATOM 0 H VAL A 62 6.595 23.162 -11.232 1.00 0.00 H new ATOM 0 HA VAL A 62 6.258 25.970 -11.864 1.00 0.00 H new ATOM 0 HB VAL A 62 6.703 25.044 -9.687 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.044 24.643 -8.908 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.438 23.392 -10.019 1.00 0.00 H new ATOM 0 HG13 VAL A 62 9.568 24.634 -10.609 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.404 26.843 -9.023 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.794 27.037 -10.749 1.00 0.00 H new ATOM 0 HG23 VAL A 62 7.169 27.448 -10.153 1.00 0.00 H new ATOM 659 N LYS A 63 8.778 24.347 -13.204 1.00 0.00 N ATOM 660 CA LYS A 63 9.797 24.359 -14.275 1.00 0.00 C ATOM 661 C LYS A 63 9.240 24.293 -15.712 1.00 0.00 C ATOM 662 O LYS A 63 10.027 24.422 -16.647 1.00 0.00 O ATOM 663 CB LYS A 63 10.788 23.202 -14.064 1.00 0.00 C ATOM 664 CG LYS A 63 11.614 23.240 -12.775 1.00 0.00 C ATOM 665 CD LYS A 63 12.553 24.446 -12.661 1.00 0.00 C ATOM 666 CE LYS A 63 13.643 24.127 -11.628 1.00 0.00 C ATOM 667 NZ LYS A 63 14.825 23.474 -12.268 1.00 0.00 N ATOM 0 H LYS A 63 8.687 23.434 -12.759 1.00 0.00 H new ATOM 0 HA LYS A 63 10.287 25.329 -14.191 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.230 22.266 -14.085 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.475 23.182 -14.910 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.935 23.242 -11.922 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.205 22.327 -12.710 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.003 24.667 -13.629 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.995 25.332 -12.359 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.957 25.046 -11.132 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.236 23.472 -10.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.698 23.837 -11.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.771 22.445 -12.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 14.829 23.686 -13.286 1.00 0.00 H new ATOM 681 N GLN A 64 7.925 24.074 -15.892 1.00 0.00 N ATOM 682 CA GLN A 64 7.190 23.764 -17.129 1.00 0.00 C ATOM 683 C GLN A 64 7.995 22.870 -18.078 1.00 0.00 C ATOM 684 O GLN A 64 8.289 23.232 -19.220 1.00 0.00 O ATOM 685 CB GLN A 64 6.525 24.996 -17.761 1.00 0.00 C ATOM 686 CG GLN A 64 7.508 26.114 -18.114 1.00 0.00 C ATOM 687 CD GLN A 64 7.181 27.413 -17.383 1.00 0.00 C ATOM 688 OE1 GLN A 64 6.742 28.398 -17.965 1.00 0.00 O ATOM 689 NE2 GLN A 64 7.356 27.461 -16.078 1.00 0.00 N ATOM 0 H GLN A 64 7.289 24.114 -15.096 1.00 0.00 H new ATOM 0 HA GLN A 64 6.336 23.145 -16.854 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.998 24.690 -18.664 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.776 25.387 -17.072 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.521 25.800 -17.861 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.488 26.288 -19.190 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.721 26.648 -15.582 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.127 28.311 -15.564 1.00 0.00 H new ATOM 698 N LEU A 65 8.351 21.678 -17.579 1.00 0.00 N ATOM 699 CA LEU A 65 9.119 20.684 -18.320 1.00 0.00 C ATOM 700 C LEU A 65 8.166 19.724 -19.030 1.00 0.00 C ATOM 701 O LEU A 65 8.372 18.519 -19.004 1.00 0.00 O ATOM 702 CB LEU A 65 10.164 19.963 -17.435 1.00 0.00 C ATOM 703 CG LEU A 65 11.277 20.838 -16.848 1.00 0.00 C ATOM 704 CD1 LEU A 65 12.235 19.966 -16.044 1.00 0.00 C ATOM 705 CD2 LEU A 65 12.081 21.604 -17.899 1.00 0.00 C ATOM 0 H LEU A 65 8.107 21.379 -16.635 1.00 0.00 H new ATOM 0 HA LEU A 65 9.708 21.195 -19.082 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.639 19.479 -16.611 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.626 19.173 -18.027 1.00 0.00 H new ATOM 0 HG LEU A 65 10.783 21.580 -16.221 1.00 0.00 H new ATOM 0 HD11 LEU A 65 13.028 20.586 -15.626 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.691 19.478 -15.235 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.672 19.209 -16.696 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.849 22.200 -17.406 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.552 20.898 -18.582 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.415 22.261 -18.459 1.00 0.00 H new ATOM 717 N TYR A 66 7.080 20.237 -19.603 1.00 0.00 N ATOM 718 CA TYR A 66 6.130 19.450 -20.394 1.00 0.00 C ATOM 719 C TYR A 66 5.949 19.964 -21.834 1.00 0.00 C ATOM 720 O TYR A 66 6.379 21.068 -22.179 1.00 0.00 O ATOM 721 CB TYR A 66 4.793 19.321 -19.659 1.00 0.00 C ATOM 722 CG TYR A 66 4.227 20.636 -19.175 1.00 0.00 C ATOM 723 CD1 TYR A 66 3.732 21.584 -20.087 1.00 0.00 C ATOM 724 CD2 TYR A 66 4.255 20.923 -17.804 1.00 0.00 C ATOM 725 CE1 TYR A 66 3.275 22.834 -19.632 1.00 0.00 C ATOM 726 CE2 TYR A 66 3.792 22.168 -17.335 1.00 0.00 C ATOM 727 CZ TYR A 66 3.304 23.130 -18.249 1.00 0.00 C ATOM 728 OH TYR A 66 2.878 24.340 -17.792 1.00 0.00 O ATOM 0 H TYR A 66 6.829 21.223 -19.532 1.00 0.00 H new ATOM 0 HA TYR A 66 6.563 18.455 -20.501 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.069 18.848 -20.323 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.923 18.657 -18.805 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.702 21.352 -21.141 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.632 20.190 -17.106 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.904 23.565 -20.335 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.810 22.388 -16.278 1.00 0.00 H new ATOM 0 HH TYR A 66 2.182 24.688 -18.388 1.00 0.00 H new ATOM 738 N ASP A 67 5.291 19.169 -22.681 1.00 0.00 N ATOM 739 CA ASP A 67 4.938 19.556 -24.051 1.00 0.00 C ATOM 740 C ASP A 67 3.804 20.600 -24.102 1.00 0.00 C ATOM 741 O ASP A 67 2.841 20.553 -23.334 1.00 0.00 O ATOM 742 CB ASP A 67 4.569 18.312 -24.863 1.00 0.00 C ATOM 743 CG ASP A 67 4.493 18.620 -26.363 1.00 0.00 C ATOM 744 OD1 ASP A 67 3.410 19.053 -26.814 1.00 0.00 O ATOM 745 OD2 ASP A 67 5.509 18.450 -27.079 1.00 0.00 O ATOM 0 H ASP A 67 4.985 18.228 -22.433 1.00 0.00 H new ATOM 0 HA ASP A 67 5.814 20.032 -24.492 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.308 17.530 -24.688 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.609 17.925 -24.521 1.00 0.00 H new ATOM 750 N GLN A 68 3.920 21.529 -25.049 1.00 0.00 N ATOM 751 CA GLN A 68 2.988 22.625 -25.356 1.00 0.00 C ATOM 752 C GLN A 68 1.559 22.136 -25.643 1.00 0.00 C ATOM 753 O GLN A 68 0.575 22.694 -25.151 1.00 0.00 O ATOM 754 CB GLN A 68 3.443 23.376 -26.629 1.00 0.00 C ATOM 755 CG GLN A 68 4.946 23.528 -26.888 1.00 0.00 C ATOM 756 CD GLN A 68 5.681 22.233 -27.241 1.00 0.00 C ATOM 757 OE1 GLN A 68 6.523 21.757 -26.494 1.00 0.00 O ATOM 758 NE2 GLN A 68 5.337 21.561 -28.317 1.00 0.00 N ATOM 0 H GLN A 68 4.728 21.541 -25.672 1.00 0.00 H new ATOM 0 HA GLN A 68 2.990 23.262 -24.472 1.00 0.00 H new ATOM 0 HB2 GLN A 68 3.008 22.866 -27.489 1.00 0.00 H new ATOM 0 HB3 GLN A 68 3.009 24.375 -26.598 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.088 24.241 -27.701 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.409 23.960 -26.001 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.636 21.941 -28.953 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.771 20.660 -28.516 1.00 0.00 H new ATOM 767 N GLN A 69 1.465 21.088 -26.460 1.00 0.00 N ATOM 768 CA GLN A 69 0.214 20.414 -26.830 1.00 0.00 C ATOM 769 C GLN A 69 -0.190 19.307 -25.837 1.00 0.00 C ATOM 770 O GLN A 69 -1.383 19.112 -25.598 1.00 0.00 O ATOM 771 CB GLN A 69 0.320 19.851 -28.261 1.00 0.00 C ATOM 772 CG GLN A 69 -0.056 20.864 -29.355 1.00 0.00 C ATOM 773 CD GLN A 69 0.906 22.044 -29.484 1.00 0.00 C ATOM 774 OE1 GLN A 69 0.651 23.148 -29.018 1.00 0.00 O ATOM 775 NE2 GLN A 69 2.039 21.873 -30.136 1.00 0.00 N ATOM 0 H GLN A 69 2.284 20.668 -26.899 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.576 21.164 -26.792 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.340 19.508 -28.432 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.328 18.979 -28.348 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -0.104 20.345 -30.312 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.055 21.247 -29.150 1.00 0.00 H new ATOM 0 HE21 GLN A 69 2.268 20.961 -30.531 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.687 22.653 -30.246 1.00 0.00 H new ATOM 784 N GLU A 70 0.774 18.596 -25.240 1.00 0.00 N ATOM 785 CA GLU A 70 0.528 17.465 -24.325 1.00 0.00 C ATOM 786 C GLU A 70 1.153 17.669 -22.932 1.00 0.00 C ATOM 787 O GLU A 70 2.233 17.171 -22.629 1.00 0.00 O ATOM 788 CB GLU A 70 0.990 16.146 -24.970 1.00 0.00 C ATOM 789 CG GLU A 70 0.083 15.709 -26.127 1.00 0.00 C ATOM 790 CD GLU A 70 0.350 14.241 -26.509 1.00 0.00 C ATOM 791 OE1 GLU A 70 -0.196 13.332 -25.834 1.00 0.00 O ATOM 792 OE2 GLU A 70 1.090 13.986 -27.491 1.00 0.00 O ATOM 0 H GLU A 70 1.766 18.791 -25.379 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.548 17.413 -24.159 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.010 16.262 -25.336 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.010 15.362 -24.213 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.962 15.831 -25.841 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.254 16.351 -26.991 1.00 0.00 H new ATOM 799 N GLN A 71 0.444 18.367 -22.042 1.00 0.00 N ATOM 800 CA GLN A 71 0.906 18.706 -20.688 1.00 0.00 C ATOM 801 C GLN A 71 1.283 17.495 -19.808 1.00 0.00 C ATOM 802 O GLN A 71 2.113 17.615 -18.909 1.00 0.00 O ATOM 803 CB GLN A 71 -0.217 19.500 -20.011 1.00 0.00 C ATOM 804 CG GLN A 71 -0.174 21.006 -20.305 1.00 0.00 C ATOM 805 CD GLN A 71 -0.626 21.406 -21.708 1.00 0.00 C ATOM 806 OE1 GLN A 71 -1.754 21.828 -21.928 1.00 0.00 O ATOM 807 NE2 GLN A 71 0.215 21.312 -22.713 1.00 0.00 N ATOM 0 H GLN A 71 -0.490 18.722 -22.245 1.00 0.00 H new ATOM 0 HA GLN A 71 1.828 19.277 -20.792 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.178 19.103 -20.337 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.158 19.348 -18.933 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.802 21.520 -19.578 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.845 21.361 -20.154 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.161 20.963 -22.556 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.078 21.588 -23.650 1.00 0.00 H new ATOM 816 N HIS A 72 0.691 16.325 -20.058 1.00 0.00 N ATOM 817 CA HIS A 72 0.998 15.048 -19.406 1.00 0.00 C ATOM 818 C HIS A 72 2.255 14.343 -19.967 1.00 0.00 C ATOM 819 O HIS A 72 2.758 13.414 -19.336 1.00 0.00 O ATOM 820 CB HIS A 72 -0.263 14.173 -19.520 1.00 0.00 C ATOM 821 CG HIS A 72 -0.773 14.096 -20.930 1.00 0.00 C ATOM 822 ND1 HIS A 72 -1.582 15.052 -21.541 1.00 0.00 N ATOM 823 CD2 HIS A 72 -0.320 13.221 -21.866 1.00 0.00 C ATOM 824 CE1 HIS A 72 -1.600 14.737 -22.842 1.00 0.00 C ATOM 825 NE2 HIS A 72 -0.857 13.636 -23.070 1.00 0.00 N ATOM 0 H HIS A 72 -0.050 16.237 -20.753 1.00 0.00 H new ATOM 0 HA HIS A 72 1.254 15.230 -18.362 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.040 13.168 -19.161 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.043 14.577 -18.875 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.328 12.373 -21.702 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.135 15.288 -23.602 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -0.715 13.187 -23.975 1.00 0.00 H new ATOM 833 N MET A 73 2.788 14.775 -21.116 1.00 0.00 N ATOM 834 CA MET A 73 4.086 14.349 -21.657 1.00 0.00 C ATOM 835 C MET A 73 5.188 15.279 -21.135 1.00 0.00 C ATOM 836 O MET A 73 5.121 16.499 -21.306 1.00 0.00 O ATOM 837 CB MET A 73 4.081 14.365 -23.194 1.00 0.00 C ATOM 838 CG MET A 73 3.118 13.356 -23.829 1.00 0.00 C ATOM 839 SD MET A 73 3.493 11.602 -23.551 1.00 0.00 S ATOM 840 CE MET A 73 5.117 11.452 -24.351 1.00 0.00 C ATOM 0 H MET A 73 2.314 15.452 -21.714 1.00 0.00 H new ATOM 0 HA MET A 73 4.275 13.327 -21.329 1.00 0.00 H new ATOM 0 HB2 MET A 73 3.817 15.366 -23.535 1.00 0.00 H new ATOM 0 HB3 MET A 73 5.090 14.162 -23.552 1.00 0.00 H new ATOM 0 HG2 MET A 73 2.115 13.556 -23.451 1.00 0.00 H new ATOM 0 HG3 MET A 73 3.095 13.535 -24.904 1.00 0.00 H new ATOM 0 HE1 MET A 73 5.378 10.398 -24.450 1.00 0.00 H new ATOM 0 HE2 MET A 73 5.080 11.911 -25.339 1.00 0.00 H new ATOM 0 HE3 MET A 73 5.869 11.957 -23.745 1.00 0.00 H new ATOM 850 N VAL A 74 6.213 14.708 -20.506 1.00 0.00 N ATOM 851 CA VAL A 74 7.246 15.444 -19.761 1.00 0.00 C ATOM 852 C VAL A 74 8.581 15.386 -20.531 1.00 0.00 C ATOM 853 O VAL A 74 8.977 14.326 -21.017 1.00 0.00 O ATOM 854 CB VAL A 74 7.403 14.851 -18.345 1.00 0.00 C ATOM 855 CG1 VAL A 74 8.237 15.796 -17.480 1.00 0.00 C ATOM 856 CG2 VAL A 74 6.058 14.651 -17.626 1.00 0.00 C ATOM 0 H VAL A 74 6.357 13.698 -20.497 1.00 0.00 H new ATOM 0 HA VAL A 74 6.946 16.487 -19.661 1.00 0.00 H new ATOM 0 HB VAL A 74 7.882 13.880 -18.474 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.346 15.374 -16.481 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.222 15.926 -17.928 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.739 16.763 -17.413 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.234 14.231 -16.635 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.551 15.611 -17.529 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.435 13.969 -18.204 1.00 0.00 H new ATOM 866 N TYR A 75 9.285 16.517 -20.615 1.00 0.00 N ATOM 867 CA TYR A 75 10.517 16.758 -21.376 1.00 0.00 C ATOM 868 C TYR A 75 11.556 17.519 -20.520 1.00 0.00 C ATOM 869 O TYR A 75 11.524 18.747 -20.418 1.00 0.00 O ATOM 870 CB TYR A 75 10.156 17.515 -22.662 1.00 0.00 C ATOM 871 CG TYR A 75 9.510 16.591 -23.670 1.00 0.00 C ATOM 872 CD1 TYR A 75 10.325 15.682 -24.368 1.00 0.00 C ATOM 873 CD2 TYR A 75 8.111 16.554 -23.830 1.00 0.00 C ATOM 874 CE1 TYR A 75 9.748 14.719 -25.212 1.00 0.00 C ATOM 875 CE2 TYR A 75 7.532 15.599 -24.688 1.00 0.00 C ATOM 876 CZ TYR A 75 8.346 14.673 -25.377 1.00 0.00 C ATOM 877 OH TYR A 75 7.769 13.738 -26.184 1.00 0.00 O ATOM 0 H TYR A 75 8.987 17.354 -20.114 1.00 0.00 H new ATOM 0 HA TYR A 75 10.982 15.810 -21.647 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.477 18.335 -22.427 1.00 0.00 H new ATOM 0 HB3 TYR A 75 11.054 17.958 -23.092 1.00 0.00 H new ATOM 0 HD1 TYR A 75 11.398 15.725 -24.255 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.485 17.255 -23.297 1.00 0.00 H new ATOM 0 HE1 TYR A 75 10.377 14.013 -25.735 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.460 15.575 -24.820 1.00 0.00 H new ATOM 0 HH TYR A 75 6.796 13.855 -26.177 1.00 0.00 H new ATOM 887 N CYS A 76 12.479 16.776 -19.898 1.00 0.00 N ATOM 888 CA CYS A 76 13.475 17.232 -18.914 1.00 0.00 C ATOM 889 C CYS A 76 14.923 17.335 -19.430 1.00 0.00 C ATOM 890 O CYS A 76 15.846 17.503 -18.627 1.00 0.00 O ATOM 891 CB CYS A 76 13.401 16.327 -17.673 1.00 0.00 C ATOM 892 SG CYS A 76 11.744 16.383 -16.949 1.00 0.00 S ATOM 0 H CYS A 76 12.557 15.775 -20.078 1.00 0.00 H new ATOM 0 HA CYS A 76 13.209 18.261 -18.671 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.650 15.302 -17.947 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.138 16.648 -16.936 1.00 0.00 H new ATOM 0 HG CYS A 76 11.622 15.433 -16.070 1.00 0.00 H new ATOM 898 N GLY A 77 15.144 17.210 -20.744 1.00 0.00 N ATOM 899 CA GLY A 77 16.482 17.217 -21.352 1.00 0.00 C ATOM 900 C GLY A 77 17.323 18.430 -20.929 1.00 0.00 C ATOM 901 O GLY A 77 16.952 19.578 -21.191 1.00 0.00 O ATOM 0 H GLY A 77 14.391 17.100 -21.423 1.00 0.00 H new ATOM 0 HA2 GLY A 77 17.007 16.303 -21.075 1.00 0.00 H new ATOM 0 HA3 GLY A 77 16.383 17.211 -22.437 1.00 0.00 H new ATOM 905 N GLY A 78 18.451 18.166 -20.263 1.00 0.00 N ATOM 906 CA GLY A 78 19.387 19.179 -19.761 1.00 0.00 C ATOM 907 C GLY A 78 19.113 19.722 -18.347 1.00 0.00 C ATOM 908 O GLY A 78 19.900 20.551 -17.883 1.00 0.00 O ATOM 0 H GLY A 78 18.748 17.213 -20.051 1.00 0.00 H new ATOM 0 HA2 GLY A 78 20.391 18.754 -19.775 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.387 20.019 -20.456 1.00 0.00 H new ATOM 912 N ASP A 79 18.060 19.280 -17.640 1.00 0.00 N ATOM 913 CA ASP A 79 17.817 19.662 -16.232 1.00 0.00 C ATOM 914 C ASP A 79 18.229 18.572 -15.223 1.00 0.00 C ATOM 915 O ASP A 79 18.442 17.409 -15.581 1.00 0.00 O ATOM 916 CB ASP A 79 16.353 20.099 -16.006 1.00 0.00 C ATOM 917 CG ASP A 79 16.234 21.317 -15.057 1.00 0.00 C ATOM 918 OD1 ASP A 79 17.111 21.510 -14.179 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.265 22.101 -15.190 1.00 0.00 O ATOM 0 H ASP A 79 17.354 18.651 -18.023 1.00 0.00 H new ATOM 0 HA ASP A 79 18.465 20.518 -16.043 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.899 20.345 -16.966 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.788 19.264 -15.592 1.00 0.00 H new ATOM 924 N LEU A 80 18.280 18.933 -13.936 1.00 0.00 N ATOM 925 CA LEU A 80 18.568 18.010 -12.830 1.00 0.00 C ATOM 926 C LEU A 80 17.588 16.836 -12.789 1.00 0.00 C ATOM 927 O LEU A 80 18.016 15.702 -12.603 1.00 0.00 O ATOM 928 CB LEU A 80 18.530 18.763 -11.488 1.00 0.00 C ATOM 929 CG LEU A 80 19.928 18.983 -10.883 1.00 0.00 C ATOM 930 CD1 LEU A 80 19.844 20.018 -9.759 1.00 0.00 C ATOM 931 CD2 LEU A 80 20.519 17.701 -10.294 1.00 0.00 C ATOM 0 H LEU A 80 18.120 19.892 -13.627 1.00 0.00 H new ATOM 0 HA LEU A 80 19.566 17.605 -12.999 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.047 19.729 -11.633 1.00 0.00 H new ATOM 0 HB3 LEU A 80 17.918 18.203 -10.781 1.00 0.00 H new ATOM 0 HG LEU A 80 20.572 19.323 -11.694 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.835 20.172 -9.332 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.471 20.960 -10.159 1.00 0.00 H new ATOM 0 HD13 LEU A 80 19.167 19.659 -8.984 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.505 17.912 -9.881 1.00 0.00 H new ATOM 0 HD22 LEU A 80 19.866 17.329 -9.504 1.00 0.00 H new ATOM 0 HD23 LEU A 80 20.607 16.948 -11.077 1.00 0.00 H new ATOM 943 N LEU A 81 16.287 17.080 -13.002 1.00 0.00 N ATOM 944 CA LEU A 81 15.307 15.993 -13.103 1.00 0.00 C ATOM 945 C LEU A 81 15.636 15.012 -14.251 1.00 0.00 C ATOM 946 O LEU A 81 15.557 13.797 -14.066 1.00 0.00 O ATOM 947 CB LEU A 81 13.895 16.600 -13.213 1.00 0.00 C ATOM 948 CG LEU A 81 12.743 15.606 -13.466 1.00 0.00 C ATOM 949 CD1 LEU A 81 12.618 14.534 -12.388 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.412 16.353 -13.480 1.00 0.00 C ATOM 0 H LEU A 81 15.892 18.015 -13.107 1.00 0.00 H new ATOM 0 HA LEU A 81 15.350 15.386 -12.199 1.00 0.00 H new ATOM 0 HB2 LEU A 81 13.683 17.143 -12.292 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.899 17.332 -14.020 1.00 0.00 H new ATOM 0 HG LEU A 81 12.972 15.129 -14.419 1.00 0.00 H new ATOM 0 HD11 LEU A 81 11.788 13.870 -12.630 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.542 13.958 -12.339 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.435 15.008 -11.424 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.601 15.647 -13.659 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.260 16.844 -12.519 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.423 17.102 -14.272 1.00 0.00 H new ATOM 962 N GLY A 82 16.078 15.520 -15.406 1.00 0.00 N ATOM 963 CA GLY A 82 16.552 14.686 -16.518 1.00 0.00 C ATOM 964 C GLY A 82 17.803 13.874 -16.160 1.00 0.00 C ATOM 965 O GLY A 82 17.890 12.692 -16.493 1.00 0.00 O ATOM 0 H GLY A 82 16.118 16.521 -15.597 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.756 14.005 -16.820 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.770 15.322 -17.376 1.00 0.00 H new ATOM 969 N GLU A 83 18.738 14.459 -15.404 1.00 0.00 N ATOM 970 CA GLU A 83 19.935 13.763 -14.908 1.00 0.00 C ATOM 971 C GLU A 83 19.591 12.682 -13.864 1.00 0.00 C ATOM 972 O GLU A 83 20.155 11.586 -13.902 1.00 0.00 O ATOM 973 CB GLU A 83 20.982 14.795 -14.434 1.00 0.00 C ATOM 974 CG GLU A 83 21.430 14.698 -12.970 1.00 0.00 C ATOM 975 CD GLU A 83 22.627 15.631 -12.681 1.00 0.00 C ATOM 976 OE1 GLU A 83 22.579 16.839 -13.021 1.00 0.00 O ATOM 977 OE2 GLU A 83 23.641 15.155 -12.114 1.00 0.00 O ATOM 0 H GLU A 83 18.687 15.436 -15.116 1.00 0.00 H new ATOM 0 HA GLU A 83 20.390 13.206 -15.727 1.00 0.00 H new ATOM 0 HB2 GLU A 83 21.864 14.700 -15.067 1.00 0.00 H new ATOM 0 HB3 GLU A 83 20.576 15.793 -14.600 1.00 0.00 H new ATOM 0 HG2 GLU A 83 20.598 14.959 -12.316 1.00 0.00 H new ATOM 0 HG3 GLU A 83 21.706 13.669 -12.740 1.00 0.00 H new ATOM 984 N LEU A 84 18.621 12.952 -12.980 1.00 0.00 N ATOM 985 CA LEU A 84 18.059 11.992 -12.028 1.00 0.00 C ATOM 986 C LEU A 84 17.435 10.783 -12.746 1.00 0.00 C ATOM 987 O LEU A 84 17.631 9.639 -12.332 1.00 0.00 O ATOM 988 CB LEU A 84 17.067 12.759 -11.124 1.00 0.00 C ATOM 989 CG LEU A 84 15.982 11.939 -10.394 1.00 0.00 C ATOM 990 CD1 LEU A 84 15.361 12.795 -9.293 1.00 0.00 C ATOM 991 CD2 LEU A 84 14.831 11.504 -11.305 1.00 0.00 C ATOM 0 H LEU A 84 18.194 13.875 -12.908 1.00 0.00 H new ATOM 0 HA LEU A 84 18.840 11.561 -11.402 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.645 13.296 -10.372 1.00 0.00 H new ATOM 0 HB3 LEU A 84 16.566 13.509 -11.736 1.00 0.00 H new ATOM 0 HG LEU A 84 16.484 11.050 -10.012 1.00 0.00 H new ATOM 0 HD11 LEU A 84 14.594 12.220 -8.774 1.00 0.00 H new ATOM 0 HD12 LEU A 84 16.134 13.092 -8.584 1.00 0.00 H new ATOM 0 HD13 LEU A 84 14.912 13.685 -9.734 1.00 0.00 H new ATOM 0 HD21 LEU A 84 14.105 10.932 -10.727 1.00 0.00 H new ATOM 0 HD22 LEU A 84 14.347 12.385 -11.725 1.00 0.00 H new ATOM 0 HD23 LEU A 84 15.220 10.884 -12.113 1.00 0.00 H new ATOM 1003 N LEU A 85 16.703 11.041 -13.833 1.00 0.00 N ATOM 1004 CA LEU A 85 16.046 10.016 -14.651 1.00 0.00 C ATOM 1005 C LEU A 85 17.018 9.241 -15.561 1.00 0.00 C ATOM 1006 O LEU A 85 16.765 8.077 -15.874 1.00 0.00 O ATOM 1007 CB LEU A 85 14.953 10.718 -15.478 1.00 0.00 C ATOM 1008 CG LEU A 85 13.564 10.555 -14.846 1.00 0.00 C ATOM 1009 CD1 LEU A 85 12.667 11.700 -15.285 1.00 0.00 C ATOM 1010 CD2 LEU A 85 12.932 9.229 -15.274 1.00 0.00 C ATOM 0 H LEU A 85 16.547 11.988 -14.177 1.00 0.00 H new ATOM 0 HA LEU A 85 15.619 9.261 -13.991 1.00 0.00 H new ATOM 0 HB2 LEU A 85 15.189 11.778 -15.566 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.943 10.308 -16.488 1.00 0.00 H new ATOM 0 HG LEU A 85 13.673 10.563 -13.761 1.00 0.00 H new ATOM 0 HD11 LEU A 85 11.681 11.583 -14.835 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.102 12.647 -14.964 1.00 0.00 H new ATOM 0 HD13 LEU A 85 12.574 11.693 -16.371 1.00 0.00 H new ATOM 0 HD21 LEU A 85 11.948 9.131 -14.816 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.831 9.207 -16.359 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.566 8.403 -14.952 1.00 0.00 H new ATOM 1022 N GLY A 86 18.100 9.882 -16.017 1.00 0.00 N ATOM 1023 CA GLY A 86 19.001 9.354 -17.053 1.00 0.00 C ATOM 1024 C GLY A 86 18.408 9.404 -18.474 1.00 0.00 C ATOM 1025 O GLY A 86 18.954 8.792 -19.396 1.00 0.00 O ATOM 0 H GLY A 86 18.381 10.800 -15.671 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.931 9.922 -17.037 1.00 0.00 H new ATOM 0 HA3 GLY A 86 19.254 8.322 -16.810 1.00 0.00 H new ATOM 1029 N ARG A 87 17.279 10.109 -18.644 1.00 0.00 N ATOM 1030 CA ARG A 87 16.504 10.271 -19.886 1.00 0.00 C ATOM 1031 C ARG A 87 15.803 11.626 -19.925 1.00 0.00 C ATOM 1032 O ARG A 87 15.341 12.134 -18.906 1.00 0.00 O ATOM 1033 CB ARG A 87 15.526 9.092 -20.082 1.00 0.00 C ATOM 1034 CG ARG A 87 14.558 8.844 -18.915 1.00 0.00 C ATOM 1035 CD ARG A 87 13.755 7.552 -19.090 1.00 0.00 C ATOM 1036 NE ARG A 87 12.873 7.625 -20.268 1.00 0.00 N ATOM 1037 CZ ARG A 87 12.773 6.797 -21.291 1.00 0.00 C ATOM 1038 NH1 ARG A 87 13.441 5.681 -21.366 1.00 0.00 N ATOM 1039 NH2 ARG A 87 11.981 7.104 -22.276 1.00 0.00 N ATOM 0 H ARG A 87 16.854 10.615 -17.867 1.00 0.00 H new ATOM 0 HA ARG A 87 17.195 10.253 -20.729 1.00 0.00 H new ATOM 0 HB2 ARG A 87 14.943 9.271 -20.985 1.00 0.00 H new ATOM 0 HB3 ARG A 87 16.105 8.184 -20.252 1.00 0.00 H new ATOM 0 HG2 ARG A 87 15.121 8.796 -17.983 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.872 9.687 -18.830 1.00 0.00 H new ATOM 0 HD2 ARG A 87 14.437 6.709 -19.196 1.00 0.00 H new ATOM 0 HD3 ARG A 87 13.158 7.369 -18.197 1.00 0.00 H new ATOM 0 HE ARG A 87 12.250 8.432 -20.297 1.00 0.00 H new ATOM 0 HH11 ARG A 87 14.075 5.415 -20.613 1.00 0.00 H new ATOM 0 HH12 ARG A 87 13.330 5.074 -22.178 1.00 0.00 H new ATOM 0 HH21 ARG A 87 11.449 7.974 -22.250 1.00 0.00 H new ATOM 0 HH22 ARG A 87 11.892 6.475 -23.074 1.00 0.00 H new ATOM 1053 N GLN A 88 15.701 12.182 -21.129 1.00 0.00 N ATOM 1054 CA GLN A 88 15.065 13.477 -21.397 1.00 0.00 C ATOM 1055 C GLN A 88 13.540 13.449 -21.334 1.00 0.00 C ATOM 1056 O GLN A 88 12.936 14.513 -21.319 1.00 0.00 O ATOM 1057 CB GLN A 88 15.529 13.980 -22.771 1.00 0.00 C ATOM 1058 CG GLN A 88 15.078 13.131 -23.976 1.00 0.00 C ATOM 1059 CD GLN A 88 15.601 13.703 -25.294 1.00 0.00 C ATOM 1060 OE1 GLN A 88 16.591 13.248 -25.854 1.00 0.00 O ATOM 1061 NE2 GLN A 88 14.973 14.728 -25.837 1.00 0.00 N ATOM 0 H GLN A 88 16.067 11.736 -21.970 1.00 0.00 H new ATOM 0 HA GLN A 88 15.377 14.155 -20.603 1.00 0.00 H new ATOM 0 HB2 GLN A 88 15.163 14.997 -22.908 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.618 14.030 -22.771 1.00 0.00 H new ATOM 0 HG2 GLN A 88 15.435 12.108 -23.855 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.989 13.087 -24.004 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.147 15.119 -25.383 1.00 0.00 H new ATOM 0 HE22 GLN A 88 15.313 15.130 -26.711 1.00 0.00 H new ATOM 1070 N SER A 89 12.905 12.279 -21.339 1.00 0.00 N ATOM 1071 CA SER A 89 11.428 12.214 -21.402 1.00 0.00 C ATOM 1072 C SER A 89 10.763 10.960 -20.835 1.00 0.00 C ATOM 1073 O SER A 89 11.333 9.870 -20.808 1.00 0.00 O ATOM 1074 CB SER A 89 10.957 12.413 -22.852 1.00 0.00 C ATOM 1075 OG SER A 89 11.468 11.389 -23.697 1.00 0.00 O ATOM 0 H SER A 89 13.371 11.372 -21.301 1.00 0.00 H new ATOM 0 HA SER A 89 11.108 13.020 -20.742 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.868 12.410 -22.888 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.285 13.387 -23.215 1.00 0.00 H new ATOM 0 HG SER A 89 11.154 11.535 -24.614 1.00 0.00 H new ATOM 1081 N PHE A 90 9.524 11.147 -20.380 1.00 0.00 N ATOM 1082 CA PHE A 90 8.588 10.153 -19.836 1.00 0.00 C ATOM 1083 C PHE A 90 7.160 10.745 -19.888 1.00 0.00 C ATOM 1084 O PHE A 90 6.958 11.863 -20.374 1.00 0.00 O ATOM 1085 CB PHE A 90 8.998 9.777 -18.401 1.00 0.00 C ATOM 1086 CG PHE A 90 8.911 10.908 -17.398 1.00 0.00 C ATOM 1087 CD1 PHE A 90 9.943 11.859 -17.329 1.00 0.00 C ATOM 1088 CD2 PHE A 90 7.798 11.016 -16.544 1.00 0.00 C ATOM 1089 CE1 PHE A 90 9.880 12.897 -16.385 1.00 0.00 C ATOM 1090 CE2 PHE A 90 7.737 12.051 -15.597 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.801 12.965 -15.482 1.00 0.00 C ATOM 0 H PHE A 90 9.110 12.079 -20.381 1.00 0.00 H new ATOM 0 HA PHE A 90 8.610 9.239 -20.429 1.00 0.00 H new ATOM 0 HB2 PHE A 90 8.364 8.958 -18.060 1.00 0.00 H new ATOM 0 HB3 PHE A 90 10.022 9.402 -18.417 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.785 11.792 -18.002 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.990 10.303 -16.617 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.660 13.644 -16.351 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.873 12.146 -14.956 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.790 13.715 -14.705 1.00 0.00 H new ATOM 1101 N SER A 91 6.156 10.022 -19.389 1.00 0.00 N ATOM 1102 CA SER A 91 4.764 10.490 -19.350 1.00 0.00 C ATOM 1103 C SER A 91 4.092 10.213 -18.008 1.00 0.00 C ATOM 1104 O SER A 91 4.366 9.212 -17.346 1.00 0.00 O ATOM 1105 CB SER A 91 3.973 9.805 -20.467 1.00 0.00 C ATOM 1106 OG SER A 91 2.611 10.201 -20.429 1.00 0.00 O ATOM 0 H SER A 91 6.284 9.089 -18.997 1.00 0.00 H new ATOM 0 HA SER A 91 4.775 11.571 -19.490 1.00 0.00 H new ATOM 0 HB2 SER A 91 4.405 10.060 -21.435 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.046 8.723 -20.361 1.00 0.00 H new ATOM 0 HG SER A 91 2.394 10.704 -21.241 1.00 0.00 H new ATOM 1112 N VAL A 92 3.137 11.071 -17.654 1.00 0.00 N ATOM 1113 CA VAL A 92 2.175 10.883 -16.552 1.00 0.00 C ATOM 1114 C VAL A 92 1.457 9.528 -16.693 1.00 0.00 C ATOM 1115 O VAL A 92 1.097 8.895 -15.699 1.00 0.00 O ATOM 1116 CB VAL A 92 1.158 12.030 -16.652 1.00 0.00 C ATOM 1117 CG1 VAL A 92 -0.203 11.831 -15.988 1.00 0.00 C ATOM 1118 CG2 VAL A 92 1.751 13.357 -16.172 1.00 0.00 C ATOM 0 H VAL A 92 3.001 11.956 -18.143 1.00 0.00 H new ATOM 0 HA VAL A 92 2.683 10.889 -15.588 1.00 0.00 H new ATOM 0 HB VAL A 92 0.950 12.043 -17.722 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.815 12.720 -16.140 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.701 10.968 -16.430 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.066 11.663 -14.920 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.001 14.143 -16.258 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.059 13.262 -15.131 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.616 13.612 -16.785 1.00 0.00 H new ATOM 1128 N LYS A 93 1.274 9.078 -17.945 1.00 0.00 N ATOM 1129 CA LYS A 93 0.567 7.854 -18.356 1.00 0.00 C ATOM 1130 C LYS A 93 1.508 6.646 -18.544 1.00 0.00 C ATOM 1131 O LYS A 93 1.048 5.549 -18.861 1.00 0.00 O ATOM 1132 CB LYS A 93 -0.255 8.175 -19.624 1.00 0.00 C ATOM 1133 CG LYS A 93 -1.273 9.315 -19.399 1.00 0.00 C ATOM 1134 CD LYS A 93 -1.923 9.794 -20.704 1.00 0.00 C ATOM 1135 CE LYS A 93 -2.873 10.965 -20.401 1.00 0.00 C ATOM 1136 NZ LYS A 93 -3.384 11.611 -21.642 1.00 0.00 N ATOM 0 H LYS A 93 1.639 9.591 -18.747 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.106 7.545 -17.556 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.423 8.452 -20.431 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.784 7.278 -19.946 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.050 8.973 -18.715 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.772 10.155 -18.918 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.156 10.107 -21.412 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.473 8.977 -21.171 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.714 10.604 -19.809 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -2.351 11.706 -19.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -3.880 12.492 -21.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -2.587 11.827 -22.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -4.043 10.966 -22.123 1.00 0.00 H new ATOM 1150 N ASP A 94 2.815 6.836 -18.333 1.00 0.00 N ATOM 1151 CA ASP A 94 3.865 5.805 -18.366 1.00 0.00 C ATOM 1152 C ASP A 94 4.930 6.092 -17.275 1.00 0.00 C ATOM 1153 O ASP A 94 6.048 6.522 -17.585 1.00 0.00 O ATOM 1154 CB ASP A 94 4.461 5.732 -19.784 1.00 0.00 C ATOM 1155 CG ASP A 94 5.505 4.610 -19.936 1.00 0.00 C ATOM 1156 OD1 ASP A 94 5.347 3.533 -19.312 1.00 0.00 O ATOM 1157 OD2 ASP A 94 6.469 4.784 -20.721 1.00 0.00 O ATOM 0 H ASP A 94 3.191 7.761 -18.123 1.00 0.00 H new ATOM 0 HA ASP A 94 3.444 4.826 -18.138 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.657 5.574 -20.503 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.924 6.688 -20.028 1.00 0.00 H new ATOM 1162 N PRO A 95 4.585 5.908 -15.981 1.00 0.00 N ATOM 1163 CA PRO A 95 5.400 6.347 -14.840 1.00 0.00 C ATOM 1164 C PRO A 95 6.639 5.483 -14.549 1.00 0.00 C ATOM 1165 O PRO A 95 7.508 5.899 -13.783 1.00 0.00 O ATOM 1166 CB PRO A 95 4.430 6.314 -13.653 1.00 0.00 C ATOM 1167 CG PRO A 95 3.486 5.166 -13.998 1.00 0.00 C ATOM 1168 CD PRO A 95 3.328 5.338 -15.507 1.00 0.00 C ATOM 0 HA PRO A 95 5.825 7.329 -15.048 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.952 6.136 -12.713 1.00 0.00 H new ATOM 0 HB3 PRO A 95 3.894 7.257 -13.546 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.910 4.196 -13.739 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.533 5.248 -13.475 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.127 4.382 -15.990 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.490 5.995 -15.739 1.00 0.00 H new ATOM 1176 N SER A 96 6.737 4.288 -15.135 1.00 0.00 N ATOM 1177 CA SER A 96 7.731 3.248 -14.819 1.00 0.00 C ATOM 1178 C SER A 96 9.198 3.702 -14.671 1.00 0.00 C ATOM 1179 O SER A 96 9.860 3.183 -13.770 1.00 0.00 O ATOM 1180 CB SER A 96 7.651 2.124 -15.861 1.00 0.00 C ATOM 1181 OG SER A 96 6.325 1.612 -15.927 1.00 0.00 O ATOM 0 H SER A 96 6.099 4.001 -15.877 1.00 0.00 H new ATOM 0 HA SER A 96 7.451 2.912 -13.821 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.953 2.501 -16.838 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.345 1.325 -15.600 1.00 0.00 H new ATOM 0 HG SER A 96 6.283 0.897 -16.596 1.00 0.00 H new ATOM 1187 N PRO A 97 9.745 4.672 -15.440 1.00 0.00 N ATOM 1188 CA PRO A 97 11.154 5.071 -15.298 1.00 0.00 C ATOM 1189 C PRO A 97 11.448 5.803 -13.987 1.00 0.00 C ATOM 1190 O PRO A 97 12.513 5.626 -13.394 1.00 0.00 O ATOM 1191 CB PRO A 97 11.461 5.971 -16.495 1.00 0.00 C ATOM 1192 CG PRO A 97 10.362 5.628 -17.489 1.00 0.00 C ATOM 1193 CD PRO A 97 9.169 5.325 -16.608 1.00 0.00 C ATOM 0 HA PRO A 97 11.785 4.182 -15.273 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.439 7.026 -16.220 1.00 0.00 H new ATOM 0 HB3 PRO A 97 12.450 5.769 -16.905 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.160 6.458 -18.166 1.00 0.00 H new ATOM 0 HG3 PRO A 97 10.633 4.771 -18.106 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.635 6.235 -16.333 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.454 4.677 -17.115 1.00 0.00 H new ATOM 1201 N LEU A 98 10.476 6.582 -13.497 1.00 0.00 N ATOM 1202 CA LEU A 98 10.508 7.181 -12.164 1.00 0.00 C ATOM 1203 C LEU A 98 10.575 6.073 -11.105 1.00 0.00 C ATOM 1204 O LEU A 98 11.378 6.104 -10.174 1.00 0.00 O ATOM 1205 CB LEU A 98 9.210 7.986 -11.934 1.00 0.00 C ATOM 1206 CG LEU A 98 8.815 9.010 -13.007 1.00 0.00 C ATOM 1207 CD1 LEU A 98 7.385 9.479 -12.755 1.00 0.00 C ATOM 1208 CD2 LEU A 98 9.748 10.216 -12.975 1.00 0.00 C ATOM 0 H LEU A 98 9.635 6.815 -14.025 1.00 0.00 H new ATOM 0 HA LEU A 98 11.379 7.831 -12.087 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.389 7.277 -11.826 1.00 0.00 H new ATOM 0 HB3 LEU A 98 9.304 8.512 -10.984 1.00 0.00 H new ATOM 0 HG LEU A 98 8.890 8.534 -13.985 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.101 10.207 -13.515 1.00 0.00 H new ATOM 0 HD12 LEU A 98 6.709 8.625 -12.800 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.322 9.941 -11.770 1.00 0.00 H new ATOM 0 HD21 LEU A 98 9.449 10.928 -13.744 1.00 0.00 H new ATOM 0 HD22 LEU A 98 9.692 10.693 -11.997 1.00 0.00 H new ATOM 0 HD23 LEU A 98 10.771 9.890 -13.161 1.00 0.00 H new ATOM 1220 N TYR A 99 9.743 5.048 -11.283 1.00 0.00 N ATOM 1221 CA TYR A 99 9.619 3.987 -10.286 1.00 0.00 C ATOM 1222 C TYR A 99 10.891 3.132 -10.248 1.00 0.00 C ATOM 1223 O TYR A 99 11.380 2.805 -9.169 1.00 0.00 O ATOM 1224 CB TYR A 99 8.333 3.189 -10.533 1.00 0.00 C ATOM 1225 CG TYR A 99 7.103 3.841 -9.920 1.00 0.00 C ATOM 1226 CD1 TYR A 99 6.524 4.991 -10.501 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.558 3.311 -8.733 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.400 5.597 -9.903 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.435 3.913 -8.135 1.00 0.00 C ATOM 1230 CZ TYR A 99 4.849 5.056 -8.719 1.00 0.00 C ATOM 1231 OH TYR A 99 3.756 5.623 -8.136 1.00 0.00 O ATOM 0 H TYR A 99 9.148 4.930 -12.103 1.00 0.00 H new ATOM 0 HA TYR A 99 9.526 4.416 -9.288 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.182 3.077 -11.607 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.449 2.186 -10.122 1.00 0.00 H new ATOM 0 HD1 TYR A 99 6.943 5.407 -11.405 1.00 0.00 H new ATOM 0 HD2 TYR A 99 7.005 2.438 -8.280 1.00 0.00 H new ATOM 0 HE1 TYR A 99 4.959 6.476 -10.350 1.00 0.00 H new ATOM 0 HE2 TYR A 99 5.021 3.499 -7.227 1.00 0.00 H new ATOM 0 HH TYR A 99 3.515 5.118 -7.331 1.00 0.00 H new ATOM 1241 N ASP A 100 11.513 2.889 -11.403 1.00 0.00 N ATOM 1242 CA ASP A 100 12.819 2.237 -11.494 1.00 0.00 C ATOM 1243 C ASP A 100 13.936 3.029 -10.809 1.00 0.00 C ATOM 1244 O ASP A 100 14.744 2.448 -10.093 1.00 0.00 O ATOM 1245 CB ASP A 100 13.185 2.020 -12.957 1.00 0.00 C ATOM 1246 CG ASP A 100 14.302 0.973 -13.110 1.00 0.00 C ATOM 1247 OD1 ASP A 100 14.143 -0.161 -12.594 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.338 1.278 -13.749 1.00 0.00 O ATOM 0 H ASP A 100 11.120 3.142 -12.310 1.00 0.00 H new ATOM 0 HA ASP A 100 12.730 1.285 -10.971 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.303 1.696 -13.509 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.507 2.964 -13.396 1.00 0.00 H new ATOM 1253 N MET A 101 13.968 4.354 -10.973 1.00 0.00 N ATOM 1254 CA MET A 101 14.970 5.204 -10.302 1.00 0.00 C ATOM 1255 C MET A 101 14.731 5.384 -8.794 1.00 0.00 C ATOM 1256 O MET A 101 15.700 5.550 -8.055 1.00 0.00 O ATOM 1257 CB MET A 101 15.320 6.485 -11.070 1.00 0.00 C ATOM 1258 CG MET A 101 14.246 7.558 -11.050 1.00 0.00 C ATOM 1259 SD MET A 101 14.063 8.509 -9.516 1.00 0.00 S ATOM 1260 CE MET A 101 12.487 9.338 -9.861 1.00 0.00 C ATOM 0 H MET A 101 13.314 4.867 -11.564 1.00 0.00 H new ATOM 0 HA MET A 101 15.896 4.630 -10.341 1.00 0.00 H new ATOM 0 HB2 MET A 101 16.237 6.902 -10.653 1.00 0.00 H new ATOM 0 HB3 MET A 101 15.532 6.223 -12.107 1.00 0.00 H new ATOM 0 HG2 MET A 101 14.451 8.258 -11.860 1.00 0.00 H new ATOM 0 HG3 MET A 101 13.290 7.085 -11.272 1.00 0.00 H new ATOM 0 HE1 MET A 101 12.312 10.113 -9.114 1.00 0.00 H new ATOM 0 HE2 MET A 101 12.523 9.791 -10.852 1.00 0.00 H new ATOM 0 HE3 MET A 101 11.677 8.610 -9.824 1.00 0.00 H new ATOM 1270 N LEU A 102 13.488 5.328 -8.300 1.00 0.00 N ATOM 1271 CA LEU A 102 13.195 5.378 -6.874 1.00 0.00 C ATOM 1272 C LEU A 102 13.540 4.039 -6.224 1.00 0.00 C ATOM 1273 O LEU A 102 14.189 4.043 -5.186 1.00 0.00 O ATOM 1274 CB LEU A 102 11.710 5.739 -6.651 1.00 0.00 C ATOM 1275 CG LEU A 102 11.323 7.164 -7.088 1.00 0.00 C ATOM 1276 CD1 LEU A 102 9.804 7.334 -7.074 1.00 0.00 C ATOM 1277 CD2 LEU A 102 11.923 8.247 -6.190 1.00 0.00 C ATOM 0 H LEU A 102 12.657 5.246 -8.886 1.00 0.00 H new ATOM 0 HA LEU A 102 13.805 6.151 -6.407 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.091 5.026 -7.195 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.476 5.622 -5.593 1.00 0.00 H new ATOM 0 HG LEU A 102 11.723 7.285 -8.094 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.548 8.347 -7.385 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.351 6.618 -7.760 1.00 0.00 H new ATOM 0 HD13 LEU A 102 9.428 7.158 -6.066 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.615 9.229 -6.549 1.00 0.00 H new ATOM 0 HD22 LEU A 102 11.572 8.107 -5.168 1.00 0.00 H new ATOM 0 HD23 LEU A 102 13.011 8.177 -6.213 1.00 0.00 H new ATOM 1289 N ARG A 103 13.223 2.898 -6.856 1.00 0.00 N ATOM 1290 CA ARG A 103 13.296 1.577 -6.203 1.00 0.00 C ATOM 1291 C ARG A 103 14.682 1.149 -5.710 1.00 0.00 C ATOM 1292 O ARG A 103 14.791 0.419 -4.725 1.00 0.00 O ATOM 1293 CB ARG A 103 12.592 0.523 -7.059 1.00 0.00 C ATOM 1294 CG ARG A 103 13.377 -0.053 -8.240 1.00 0.00 C ATOM 1295 CD ARG A 103 12.510 -1.101 -8.937 1.00 0.00 C ATOM 1296 NE ARG A 103 13.087 -1.508 -10.234 1.00 0.00 N ATOM 1297 CZ ARG A 103 13.034 -2.691 -10.817 1.00 0.00 C ATOM 1298 NH1 ARG A 103 12.490 -3.739 -10.264 1.00 0.00 N ATOM 1299 NH2 ARG A 103 13.543 -2.812 -12.006 1.00 0.00 N ATOM 0 H ARG A 103 12.911 2.862 -7.826 1.00 0.00 H new ATOM 0 HA ARG A 103 12.751 1.678 -5.264 1.00 0.00 H new ATOM 0 HB2 ARG A 103 12.304 -0.303 -6.409 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.672 0.961 -7.446 1.00 0.00 H new ATOM 0 HG2 ARG A 103 13.647 0.740 -8.938 1.00 0.00 H new ATOM 0 HG3 ARG A 103 14.308 -0.502 -7.893 1.00 0.00 H new ATOM 0 HD2 ARG A 103 12.407 -1.975 -8.294 1.00 0.00 H new ATOM 0 HD3 ARG A 103 11.509 -0.700 -9.093 1.00 0.00 H new ATOM 0 HE ARG A 103 13.591 -0.783 -10.744 1.00 0.00 H new ATOM 0 HH11 ARG A 103 12.077 -3.668 -9.334 1.00 0.00 H new ATOM 0 HH12 ARG A 103 12.477 -4.629 -10.761 1.00 0.00 H new ATOM 0 HH21 ARG A 103 13.968 -2.005 -12.463 1.00 0.00 H new ATOM 0 HH22 ARG A 103 13.517 -3.714 -12.482 1.00 0.00 H new ATOM 1313 N LYS A 104 15.727 1.642 -6.383 1.00 0.00 N ATOM 1314 CA LYS A 104 17.138 1.554 -5.982 1.00 0.00 C ATOM 1315 C LYS A 104 17.723 2.790 -5.277 1.00 0.00 C ATOM 1316 O LYS A 104 18.795 2.660 -4.687 1.00 0.00 O ATOM 1317 CB LYS A 104 18.019 1.067 -7.150 1.00 0.00 C ATOM 1318 CG LYS A 104 17.668 1.465 -8.589 1.00 0.00 C ATOM 1319 CD LYS A 104 17.414 2.951 -8.868 1.00 0.00 C ATOM 1320 CE LYS A 104 18.474 4.029 -8.608 1.00 0.00 C ATOM 1321 NZ LYS A 104 19.750 3.763 -9.339 1.00 0.00 N ATOM 0 H LYS A 104 15.607 2.138 -7.266 1.00 0.00 H new ATOM 0 HA LYS A 104 17.150 0.800 -5.194 1.00 0.00 H new ATOM 0 HB2 LYS A 104 19.035 1.412 -6.956 1.00 0.00 H new ATOM 0 HB3 LYS A 104 18.039 -0.022 -7.110 1.00 0.00 H new ATOM 0 HG2 LYS A 104 18.479 1.134 -9.237 1.00 0.00 H new ATOM 0 HG3 LYS A 104 16.778 0.910 -8.884 1.00 0.00 H new ATOM 0 HD2 LYS A 104 17.141 3.029 -9.920 1.00 0.00 H new ATOM 0 HD3 LYS A 104 16.534 3.232 -8.289 1.00 0.00 H new ATOM 0 HE2 LYS A 104 18.082 5.000 -8.909 1.00 0.00 H new ATOM 0 HE3 LYS A 104 18.676 4.085 -7.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 20.433 4.519 -9.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 20.141 2.849 -9.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 19.565 3.736 -10.362 1.00 0.00 H new ATOM 1335 N ASN A 105 17.083 3.970 -5.316 1.00 0.00 N ATOM 1336 CA ASN A 105 17.603 5.146 -4.594 1.00 0.00 C ATOM 1337 C ASN A 105 17.016 5.268 -3.184 1.00 0.00 C ATOM 1338 O ASN A 105 17.741 5.511 -2.220 1.00 0.00 O ATOM 1339 CB ASN A 105 17.386 6.444 -5.386 1.00 0.00 C ATOM 1340 CG ASN A 105 18.441 7.434 -4.948 1.00 0.00 C ATOM 1341 OD1 ASN A 105 18.218 8.338 -4.159 1.00 0.00 O ATOM 1342 ND2 ASN A 105 19.655 7.229 -5.400 1.00 0.00 N ATOM 0 H ASN A 105 16.218 4.136 -5.831 1.00 0.00 H new ATOM 0 HA ASN A 105 18.677 4.990 -4.490 1.00 0.00 H new ATOM 0 HB2 ASN A 105 17.460 6.255 -6.457 1.00 0.00 H new ATOM 0 HB3 ASN A 105 16.388 6.842 -5.201 1.00 0.00 H new ATOM 0 HD21 ASN A 105 20.422 7.827 -5.092 1.00 0.00 H new ATOM 0 HD22 ASN A 105 19.833 6.471 -6.059 1.00 0.00 H new ATOM 1349 N LEU A 106 15.700 5.072 -3.079 1.00 0.00 N ATOM 1350 CA LEU A 106 14.991 4.961 -1.806 1.00 0.00 C ATOM 1351 C LEU A 106 14.956 3.504 -1.336 1.00 0.00 C ATOM 1352 O LEU A 106 14.957 2.572 -2.143 1.00 0.00 O ATOM 1353 CB LEU A 106 13.559 5.521 -1.935 1.00 0.00 C ATOM 1354 CG LEU A 106 13.388 7.048 -1.997 1.00 0.00 C ATOM 1355 CD1 LEU A 106 13.983 7.756 -0.781 1.00 0.00 C ATOM 1356 CD2 LEU A 106 13.984 7.690 -3.249 1.00 0.00 C ATOM 0 H LEU A 106 15.088 4.985 -3.891 1.00 0.00 H new ATOM 0 HA LEU A 106 15.526 5.550 -1.061 1.00 0.00 H new ATOM 0 HB2 LEU A 106 13.114 5.098 -2.835 1.00 0.00 H new ATOM 0 HB3 LEU A 106 12.978 5.153 -1.089 1.00 0.00 H new ATOM 0 HG LEU A 106 12.306 7.181 -2.018 1.00 0.00 H new ATOM 0 HD11 LEU A 106 13.834 8.831 -0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 106 13.490 7.401 0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 106 15.050 7.541 -0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 106 13.822 8.767 -3.218 1.00 0.00 H new ATOM 0 HD22 LEU A 106 15.054 7.485 -3.289 1.00 0.00 H new ATOM 0 HD23 LEU A 106 13.502 7.276 -4.135 1.00 0.00 H new