USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 660 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 64 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 66 GLN : amide:sc= 0.261 K(o=0.26,f=-1.2!) USER MOD Set 2.1: A 36 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 48 ASN :FLIP amide:sc= -0.0723 F(o=-4.2,f=-3.4) USER MOD Set 2.3: A 73 ASN :FLIP amide:sc= -3.3! C(o=-4.2!,f=-3.4!) USER MOD Single : A 5 LYS NZ :NH3+ -173:sc= 1.19 (180deg=1.16) USER MOD Single : A 6 HIS : no HE2:sc= -6.94! C(o=-6.9!,f=-15!) USER MOD Single : A 11 THR OG1 : rot 120:sc= 0.757 USER MOD Single : A 16 LYS NZ :NH3+ -164:sc= -0.0717 (180deg=-0.339) USER MOD Single : A 17 ASN :FLIP amide:sc= -1.73! C(o=-3.2!,f=-1.7!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 142:sc= 0.669 (180deg=-0.887) USER MOD Single : A 42 ASN : amide:sc= -0.0483 K(o=-0.048,f=-4.3!) USER MOD Single : A 43 THR OG1 : rot 133:sc= -1.53! USER MOD Single : A 47 ASN : amide:sc= -1.88 X(o=-1.9,f=-2.2) USER MOD Single : A 49 ASN : amide:sc= -0.244 K(o=-0.24,f=-0.91) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.127 K(o=-0.13,f=-1.4!) USER MOD Single : A 56 ASN :FLIP amide:sc= -1.22 F(o=-3.9,f=-1.2) USER MOD Single : A 62 THR OG1 : rot -101:sc= 0.224 USER MOD Single : A 67 ASN : amide:sc= 0.431 K(o=0.43,f=-5.4!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -114:sc= 1.27 USER MOD Single : A 75 LYS NZ :NH3+ 173:sc= 1.21 (180deg=1.16) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0.88 (180deg=0.88) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00191) USER MOD Single : A 85 THR OG1 : rot 32:sc= -1.03 USER MOD Single : A 87 ASN :FLIP amide:sc= -3.81! C(o=-7.6!,f=-3.8!) USER MOD Single : A 89 TYR OH : rot 180:sc= -2.28! USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0.0278 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -54:sc= 0.225 USER MOD Single : A 99 SER OG : rot -80:sc= 0.944 USER MOD ----------------------------------------------------------------- ATOM 26 N ASP A 3 15.362 -6.296 2.413 1.00 0.00 N ATOM 27 CA ASP A 3 14.031 -6.688 2.839 1.00 0.00 C ATOM 28 C ASP A 3 13.139 -5.462 3.055 1.00 0.00 C ATOM 29 O ASP A 3 13.520 -4.490 3.707 1.00 0.00 O ATOM 30 CB ASP A 3 14.112 -7.585 4.087 1.00 0.00 C ATOM 31 CG ASP A 3 14.576 -6.882 5.344 1.00 0.00 C ATOM 32 OD1 ASP A 3 15.672 -6.286 5.346 1.00 0.00 O ATOM 33 OD2 ASP A 3 13.845 -6.948 6.349 1.00 0.00 O ATOM 0 HA ASP A 3 13.565 -7.275 2.047 1.00 0.00 H new ATOM 0 HB2 ASP A 3 13.128 -8.017 4.271 1.00 0.00 H new ATOM 0 HB3 ASP A 3 14.790 -8.413 3.879 1.00 0.00 H new ATOM 38 N PRO A 4 11.955 -5.499 2.424 1.00 0.00 N ATOM 39 CA PRO A 4 11.009 -4.359 2.308 1.00 0.00 C ATOM 40 C PRO A 4 10.736 -3.508 3.573 1.00 0.00 C ATOM 41 O PRO A 4 10.171 -2.427 3.447 1.00 0.00 O ATOM 42 CB PRO A 4 9.706 -5.020 1.858 1.00 0.00 C ATOM 43 CG PRO A 4 9.973 -6.486 1.748 1.00 0.00 C ATOM 44 CD PRO A 4 11.449 -6.676 1.694 1.00 0.00 C ATOM 0 HA PRO A 4 11.450 -3.627 1.632 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.908 -4.826 2.575 1.00 0.00 H new ATOM 0 HB3 PRO A 4 9.379 -4.615 0.900 1.00 0.00 H new ATOM 0 HG2 PRO A 4 9.550 -7.017 2.601 1.00 0.00 H new ATOM 0 HG3 PRO A 4 9.502 -6.894 0.854 1.00 0.00 H new ATOM 0 HD2 PRO A 4 11.755 -7.609 2.168 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.816 -6.705 0.668 1.00 0.00 H new ATOM 52 N LYS A 5 11.138 -3.947 4.770 1.00 0.00 N ATOM 53 CA LYS A 5 10.794 -3.215 6.006 1.00 0.00 C ATOM 54 C LYS A 5 11.630 -1.954 6.199 1.00 0.00 C ATOM 55 O LYS A 5 11.614 -1.354 7.272 1.00 0.00 O ATOM 56 CB LYS A 5 10.946 -4.111 7.240 1.00 0.00 C ATOM 57 CG LYS A 5 12.333 -4.719 7.406 1.00 0.00 C ATOM 58 CD LYS A 5 13.290 -3.778 8.127 1.00 0.00 C ATOM 59 CE LYS A 5 14.741 -4.200 7.962 1.00 0.00 C ATOM 60 NZ LYS A 5 14.972 -5.612 8.367 1.00 0.00 N ATOM 0 H LYS A 5 11.693 -4.790 4.915 1.00 0.00 H new ATOM 0 HA LYS A 5 9.752 -2.915 5.894 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.709 -3.528 8.130 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.214 -4.916 7.182 1.00 0.00 H new ATOM 0 HG2 LYS A 5 12.255 -5.652 7.964 1.00 0.00 H new ATOM 0 HG3 LYS A 5 12.739 -4.967 6.425 1.00 0.00 H new ATOM 0 HD2 LYS A 5 13.161 -2.766 7.742 1.00 0.00 H new ATOM 0 HD3 LYS A 5 13.040 -3.750 9.187 1.00 0.00 H new ATOM 0 HE2 LYS A 5 15.038 -4.071 6.921 1.00 0.00 H new ATOM 0 HE3 LYS A 5 15.377 -3.546 8.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 15.992 -5.816 8.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 14.606 -5.762 9.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.480 -6.247 7.707 1.00 0.00 H new ATOM 74 N HIS A 6 12.353 -1.552 5.169 1.00 0.00 N ATOM 75 CA HIS A 6 13.206 -0.366 5.246 1.00 0.00 C ATOM 76 C HIS A 6 12.382 0.926 5.201 1.00 0.00 C ATOM 77 O HIS A 6 12.916 1.998 4.919 1.00 0.00 O ATOM 78 CB HIS A 6 14.248 -0.381 4.131 1.00 0.00 C ATOM 79 CG HIS A 6 13.684 -0.730 2.808 1.00 0.00 C ATOM 80 ND1 HIS A 6 13.513 -2.025 2.382 1.00 0.00 N ATOM 81 CD2 HIS A 6 13.206 0.055 1.835 1.00 0.00 C ATOM 82 CE1 HIS A 6 12.946 -2.018 1.197 1.00 0.00 C ATOM 83 NE2 HIS A 6 12.750 -0.767 0.837 1.00 0.00 N ATOM 0 H HIS A 6 12.371 -2.026 4.266 1.00 0.00 H new ATOM 0 HA HIS A 6 13.723 -0.392 6.205 1.00 0.00 H new ATOM 0 HB2 HIS A 6 14.719 0.600 4.070 1.00 0.00 H new ATOM 0 HB3 HIS A 6 15.031 -1.096 4.384 1.00 0.00 H new ATOM 0 HD1 HIS A 6 13.783 -2.859 2.903 1.00 0.00 H new ATOM 0 HD2 HIS A 6 13.184 1.135 1.836 1.00 0.00 H new ATOM 0 HE1 HIS A 6 12.685 -2.891 0.617 1.00 0.00 H new ATOM 92 N VAL A 7 11.079 0.779 5.462 1.00 0.00 N ATOM 93 CA VAL A 7 10.139 1.883 5.684 1.00 0.00 C ATOM 94 C VAL A 7 10.283 3.032 4.672 1.00 0.00 C ATOM 95 O VAL A 7 10.529 2.792 3.490 1.00 0.00 O ATOM 96 CB VAL A 7 10.213 2.388 7.149 1.00 0.00 C ATOM 97 CG1 VAL A 7 9.876 1.243 8.099 1.00 0.00 C ATOM 98 CG2 VAL A 7 11.577 2.979 7.492 1.00 0.00 C ATOM 0 H VAL A 7 10.636 -0.138 5.527 1.00 0.00 H new ATOM 0 HA VAL A 7 9.143 1.475 5.512 1.00 0.00 H new ATOM 0 HB VAL A 7 9.484 3.191 7.262 1.00 0.00 H new ATOM 0 HG11 VAL A 7 9.928 1.597 9.129 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.869 0.881 7.890 1.00 0.00 H new ATOM 0 HG13 VAL A 7 10.590 0.431 7.958 1.00 0.00 H new ATOM 0 HG21 VAL A 7 11.577 3.318 8.528 1.00 0.00 H new ATOM 0 HG22 VAL A 7 12.347 2.219 7.359 1.00 0.00 H new ATOM 0 HG23 VAL A 7 11.783 3.823 6.834 1.00 0.00 H new ATOM 108 N CYS A 8 10.067 4.265 5.123 1.00 0.00 N ATOM 109 CA CYS A 8 9.967 5.403 4.222 1.00 0.00 C ATOM 110 C CYS A 8 10.220 6.734 4.895 1.00 0.00 C ATOM 111 O CYS A 8 10.019 6.906 6.101 1.00 0.00 O ATOM 112 CB CYS A 8 8.563 5.443 3.650 1.00 0.00 C ATOM 113 SG CYS A 8 8.128 7.007 2.810 1.00 0.00 S ATOM 0 H CYS A 8 9.958 4.499 6.110 1.00 0.00 H new ATOM 0 HA CYS A 8 10.733 5.265 3.459 1.00 0.00 H new ATOM 0 HB2 CYS A 8 8.450 4.622 2.942 1.00 0.00 H new ATOM 0 HB3 CYS A 8 7.851 5.269 4.457 1.00 0.00 H new ATOM 118 N VAL A 9 10.667 7.661 4.070 1.00 0.00 N ATOM 119 CA VAL A 9 10.591 9.076 4.338 1.00 0.00 C ATOM 120 C VAL A 9 10.340 9.758 3.001 1.00 0.00 C ATOM 121 O VAL A 9 11.256 9.974 2.212 1.00 0.00 O ATOM 122 CB VAL A 9 11.921 9.564 4.926 1.00 0.00 C ATOM 123 CG1 VAL A 9 11.975 9.333 6.427 1.00 0.00 C ATOM 124 CG2 VAL A 9 13.055 8.826 4.233 1.00 0.00 C ATOM 0 H VAL A 9 11.103 7.441 3.174 1.00 0.00 H new ATOM 0 HA VAL A 9 9.799 9.301 5.052 1.00 0.00 H new ATOM 0 HB VAL A 9 12.017 10.637 4.759 1.00 0.00 H new ATOM 0 HG11 VAL A 9 12.929 9.689 6.816 1.00 0.00 H new ATOM 0 HG12 VAL A 9 11.162 9.876 6.908 1.00 0.00 H new ATOM 0 HG13 VAL A 9 11.873 8.268 6.635 1.00 0.00 H new ATOM 0 HG21 VAL A 9 14.009 9.161 4.639 1.00 0.00 H new ATOM 0 HG22 VAL A 9 12.946 7.754 4.399 1.00 0.00 H new ATOM 0 HG23 VAL A 9 13.024 9.033 3.163 1.00 0.00 H new ATOM 134 N ASP A 10 9.091 10.083 2.750 1.00 0.00 N ATOM 135 CA ASP A 10 8.701 10.647 1.474 1.00 0.00 C ATOM 136 C ASP A 10 7.859 11.894 1.648 1.00 0.00 C ATOM 137 O ASP A 10 7.218 12.059 2.680 1.00 0.00 O ATOM 138 CB ASP A 10 7.948 9.591 0.668 1.00 0.00 C ATOM 139 CG ASP A 10 7.233 10.141 -0.557 1.00 0.00 C ATOM 140 OD1 ASP A 10 7.903 10.697 -1.448 1.00 0.00 O ATOM 141 OD2 ASP A 10 5.993 10.026 -0.631 1.00 0.00 O ATOM 0 H ASP A 10 8.325 9.966 3.414 1.00 0.00 H new ATOM 0 HA ASP A 10 9.600 10.944 0.934 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.651 8.821 0.350 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.217 9.107 1.316 1.00 0.00 H new ATOM 146 N THR A 11 7.846 12.732 0.618 1.00 0.00 N ATOM 147 CA THR A 11 6.881 13.796 0.479 1.00 0.00 C ATOM 148 C THR A 11 6.862 14.804 1.653 1.00 0.00 C ATOM 149 O THR A 11 7.411 14.570 2.730 1.00 0.00 O ATOM 150 CB THR A 11 5.529 13.102 0.254 1.00 0.00 C ATOM 151 OG1 THR A 11 5.470 12.601 -1.083 1.00 0.00 O ATOM 152 CG2 THR A 11 4.334 13.983 0.515 1.00 0.00 C ATOM 0 H THR A 11 8.517 12.684 -0.149 1.00 0.00 H new ATOM 0 HA THR A 11 7.147 14.435 -0.363 1.00 0.00 H new ATOM 0 HB THR A 11 5.475 12.292 0.982 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.345 11.629 -1.063 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.419 13.419 0.334 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.352 14.322 1.551 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.366 14.846 -0.150 1.00 0.00 H new ATOM 160 N ARG A 12 6.267 15.961 1.399 1.00 0.00 N ATOM 161 CA ARG A 12 6.126 17.002 2.407 1.00 0.00 C ATOM 162 C ARG A 12 4.948 16.688 3.315 1.00 0.00 C ATOM 163 O ARG A 12 5.005 16.898 4.524 1.00 0.00 O ATOM 164 CB ARG A 12 5.929 18.385 1.757 1.00 0.00 C ATOM 165 CG ARG A 12 5.548 18.350 0.281 1.00 0.00 C ATOM 166 CD ARG A 12 6.741 18.027 -0.616 1.00 0.00 C ATOM 167 NE ARG A 12 6.330 17.717 -1.983 1.00 0.00 N ATOM 168 CZ ARG A 12 7.061 16.994 -2.834 1.00 0.00 C ATOM 169 NH1 ARG A 12 8.250 16.523 -2.470 1.00 0.00 N ATOM 170 NH2 ARG A 12 6.607 16.749 -4.057 1.00 0.00 N ATOM 0 H ARG A 12 5.870 16.204 0.492 1.00 0.00 H new ATOM 0 HA ARG A 12 7.043 17.029 2.995 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.154 18.921 2.305 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.851 18.957 1.866 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.768 17.605 0.127 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.130 19.314 -0.007 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.426 18.875 -0.627 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.288 17.180 -0.201 1.00 0.00 H new ATOM 0 HE ARG A 12 5.431 18.074 -2.306 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.609 16.713 -1.535 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.803 15.971 -3.126 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.699 17.113 -4.347 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.166 16.196 -4.707 1.00 0.00 H new ATOM 184 N ASP A 13 3.884 16.172 2.716 1.00 0.00 N ATOM 185 CA ASP A 13 2.669 15.863 3.449 1.00 0.00 C ATOM 186 C ASP A 13 1.864 14.799 2.707 1.00 0.00 C ATOM 187 O ASP A 13 1.074 15.113 1.813 1.00 0.00 O ATOM 188 CB ASP A 13 1.842 17.137 3.621 1.00 0.00 C ATOM 189 CG ASP A 13 0.736 16.986 4.650 1.00 0.00 C ATOM 190 OD1 ASP A 13 -0.302 16.366 4.332 1.00 0.00 O ATOM 191 OD2 ASP A 13 0.895 17.489 5.779 1.00 0.00 O ATOM 0 H ASP A 13 3.840 15.958 1.720 1.00 0.00 H new ATOM 0 HA ASP A 13 2.929 15.472 4.433 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.499 17.954 3.918 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.404 17.413 2.662 1.00 0.00 H new ATOM 196 N ILE A 14 2.094 13.540 3.061 1.00 0.00 N ATOM 197 CA ILE A 14 1.402 12.418 2.433 1.00 0.00 C ATOM 198 C ILE A 14 -0.074 12.455 2.800 1.00 0.00 C ATOM 199 O ILE A 14 -0.429 12.771 3.937 1.00 0.00 O ATOM 200 CB ILE A 14 2.043 11.065 2.843 1.00 0.00 C ATOM 201 CG1 ILE A 14 3.465 10.991 2.307 1.00 0.00 C ATOM 202 CG2 ILE A 14 1.245 9.872 2.341 1.00 0.00 C ATOM 203 CD1 ILE A 14 4.511 10.953 3.386 1.00 0.00 C ATOM 0 H ILE A 14 2.759 13.268 3.785 1.00 0.00 H new ATOM 0 HA ILE A 14 1.498 12.509 1.351 1.00 0.00 H new ATOM 0 HB ILE A 14 2.047 11.021 3.932 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.564 10.102 1.684 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.648 11.852 1.665 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.734 8.949 2.654 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.238 9.907 2.756 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.190 9.903 1.253 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.500 10.901 2.932 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.438 11.854 3.995 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.354 10.077 4.015 1.00 0.00 H new ATOM 215 N PRO A 15 -0.947 12.163 1.823 1.00 0.00 N ATOM 216 CA PRO A 15 -2.398 12.294 1.973 1.00 0.00 C ATOM 217 C PRO A 15 -2.958 11.560 3.182 1.00 0.00 C ATOM 218 O PRO A 15 -2.402 10.562 3.641 1.00 0.00 O ATOM 219 CB PRO A 15 -2.923 11.653 0.690 1.00 0.00 C ATOM 220 CG PRO A 15 -1.849 11.896 -0.292 1.00 0.00 C ATOM 221 CD PRO A 15 -0.597 11.664 0.477 1.00 0.00 C ATOM 0 HA PRO A 15 -2.690 13.333 2.128 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.109 10.587 0.823 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.863 12.104 0.374 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.926 11.219 -1.143 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.892 12.911 -0.687 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.322 10.609 0.495 1.00 0.00 H new ATOM 0 HD3 PRO A 15 0.247 12.206 0.051 1.00 0.00 H new ATOM 229 N LYS A 16 -4.056 12.083 3.698 1.00 0.00 N ATOM 230 CA LYS A 16 -4.846 11.390 4.686 1.00 0.00 C ATOM 231 C LYS A 16 -5.234 10.019 4.138 1.00 0.00 C ATOM 232 O LYS A 16 -5.496 9.885 2.945 1.00 0.00 O ATOM 233 CB LYS A 16 -6.088 12.224 4.981 1.00 0.00 C ATOM 234 CG LYS A 16 -7.031 11.618 5.991 1.00 0.00 C ATOM 235 CD LYS A 16 -6.525 11.774 7.409 1.00 0.00 C ATOM 236 CE LYS A 16 -7.502 11.167 8.404 1.00 0.00 C ATOM 237 NZ LYS A 16 -8.863 11.757 8.288 1.00 0.00 N ATOM 0 H LYS A 16 -4.421 13.000 3.440 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.281 11.250 5.608 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.774 13.204 5.340 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.630 12.385 4.049 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.009 12.090 5.902 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.167 10.559 5.770 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.553 11.291 7.507 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.381 12.831 7.634 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.560 10.091 8.243 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.128 11.318 9.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.416 11.525 9.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.787 12.790 8.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.339 11.369 7.449 1.00 0.00 H new ATOM 251 N ASN A 17 -5.237 9.016 5.009 1.00 0.00 N ATOM 252 CA ASN A 17 -5.558 7.618 4.642 1.00 0.00 C ATOM 253 C ASN A 17 -4.479 7.011 3.745 1.00 0.00 C ATOM 254 O ASN A 17 -4.593 5.868 3.301 1.00 0.00 O ATOM 255 CB ASN A 17 -6.914 7.501 3.932 1.00 0.00 C ATOM 256 CG ASN A 17 -8.030 8.234 4.637 1.00 0.00 C ATOM 257 OD1 ASN A 17 -8.219 9.473 4.244 1.00 0.00 O flip ATOM 258 ND2 ASN A 17 -8.708 7.697 5.511 1.00 0.00 N flip ATOM 0 H ASN A 17 -5.017 9.138 5.998 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.604 7.066 5.581 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.819 7.890 2.918 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.180 6.447 3.846 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.521 6.731 5.780 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.458 8.217 5.967 1.00 0.00 H new ATOM 265 N ALA A 18 -3.449 7.785 3.465 1.00 0.00 N ATOM 266 CA ALA A 18 -2.338 7.329 2.643 1.00 0.00 C ATOM 267 C ALA A 18 -1.123 6.990 3.489 1.00 0.00 C ATOM 268 O ALA A 18 -1.054 7.318 4.672 1.00 0.00 O ATOM 269 CB ALA A 18 -1.957 8.375 1.604 1.00 0.00 C ATOM 0 H ALA A 18 -3.356 8.745 3.798 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.671 6.426 2.132 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.124 8.006 1.005 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.811 8.572 0.956 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.663 9.296 2.106 1.00 0.00 H new ATOM 275 N GLY A 19 -0.175 6.326 2.859 1.00 0.00 N ATOM 276 CA GLY A 19 1.074 5.986 3.500 1.00 0.00 C ATOM 277 C GLY A 19 2.208 6.064 2.512 1.00 0.00 C ATOM 278 O GLY A 19 1.996 5.878 1.316 1.00 0.00 O ATOM 0 H GLY A 19 -0.250 6.009 1.892 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.260 6.665 4.332 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.015 4.981 3.917 1.00 0.00 H new ATOM 282 N CYS A 20 3.408 6.320 2.994 1.00 0.00 N ATOM 283 CA CYS A 20 4.525 6.587 2.116 1.00 0.00 C ATOM 284 C CYS A 20 5.514 5.443 2.136 1.00 0.00 C ATOM 285 O CYS A 20 5.625 4.718 3.130 1.00 0.00 O ATOM 286 CB CYS A 20 5.231 7.877 2.517 1.00 0.00 C ATOM 287 SG CYS A 20 6.496 7.674 3.822 1.00 0.00 S ATOM 0 H CYS A 20 3.632 6.348 3.989 1.00 0.00 H new ATOM 0 HA CYS A 20 4.131 6.695 1.105 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.704 8.307 1.634 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.485 8.593 2.860 1.00 0.00 H new ATOM 292 N PHE A 21 6.194 5.257 1.026 1.00 0.00 N ATOM 293 CA PHE A 21 7.308 4.335 0.964 1.00 0.00 C ATOM 294 C PHE A 21 8.530 4.976 0.339 1.00 0.00 C ATOM 295 O PHE A 21 8.431 5.737 -0.607 1.00 0.00 O ATOM 296 CB PHE A 21 6.961 3.078 0.205 1.00 0.00 C ATOM 297 CG PHE A 21 8.158 2.226 -0.061 1.00 0.00 C ATOM 298 CD1 PHE A 21 8.803 1.667 0.994 1.00 0.00 C ATOM 299 CD2 PHE A 21 8.634 1.982 -1.337 1.00 0.00 C ATOM 300 CE1 PHE A 21 9.901 0.872 0.824 1.00 0.00 C ATOM 301 CE2 PHE A 21 9.745 1.186 -1.522 1.00 0.00 C ATOM 302 CZ PHE A 21 10.374 0.626 -0.425 1.00 0.00 C ATOM 0 H PHE A 21 5.993 5.736 0.148 1.00 0.00 H new ATOM 0 HA PHE A 21 7.536 4.067 1.996 1.00 0.00 H new ATOM 0 HB2 PHE A 21 6.229 2.504 0.773 1.00 0.00 H new ATOM 0 HB3 PHE A 21 6.491 3.346 -0.741 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.439 1.855 1.993 1.00 0.00 H new ATOM 0 HD2 PHE A 21 8.134 2.416 -2.190 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.393 0.439 1.683 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.121 1.001 -2.517 1.00 0.00 H new ATOM 0 HZ PHE A 21 11.239 -0.006 -0.561 1.00 0.00 H new ATOM 312 N ARG A 22 9.676 4.670 0.902 1.00 0.00 N ATOM 313 CA ARG A 22 10.936 5.114 0.353 1.00 0.00 C ATOM 314 C ARG A 22 11.942 3.998 0.489 1.00 0.00 C ATOM 315 O ARG A 22 12.343 3.644 1.594 1.00 0.00 O ATOM 316 CB ARG A 22 11.442 6.382 1.034 1.00 0.00 C ATOM 317 CG ARG A 22 12.842 6.755 0.587 1.00 0.00 C ATOM 318 CD ARG A 22 13.842 6.565 1.697 1.00 0.00 C ATOM 319 NE ARG A 22 15.128 6.109 1.189 1.00 0.00 N ATOM 320 CZ ARG A 22 16.269 6.783 1.323 1.00 0.00 C ATOM 321 NH1 ARG A 22 16.258 8.030 1.785 1.00 0.00 N ATOM 322 NH2 ARG A 22 17.416 6.232 0.937 1.00 0.00 N ATOM 0 H ARG A 22 9.761 4.109 1.750 1.00 0.00 H new ATOM 0 HA ARG A 22 10.791 5.362 -0.699 1.00 0.00 H new ATOM 0 HB2 ARG A 22 10.762 7.205 0.816 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.434 6.240 2.115 1.00 0.00 H new ATOM 0 HG2 ARG A 22 13.127 6.144 -0.270 1.00 0.00 H new ATOM 0 HG3 ARG A 22 12.856 7.794 0.257 1.00 0.00 H new ATOM 0 HD2 ARG A 22 13.975 7.505 2.233 1.00 0.00 H new ATOM 0 HD3 ARG A 22 13.456 5.841 2.415 1.00 0.00 H new ATOM 0 HE ARG A 22 15.157 5.215 0.699 1.00 0.00 H new ATOM 0 HH11 ARG A 22 15.374 8.472 2.038 1.00 0.00 H new ATOM 0 HH12 ARG A 22 17.133 8.544 1.887 1.00 0.00 H new ATOM 0 HH21 ARG A 22 17.422 5.293 0.538 1.00 0.00 H new ATOM 0 HH22 ARG A 22 18.290 6.748 1.040 1.00 0.00 H new ATOM 336 N ASP A 23 12.343 3.432 -0.628 1.00 0.00 N ATOM 337 CA ASP A 23 13.117 2.215 -0.580 1.00 0.00 C ATOM 338 C ASP A 23 14.589 2.493 -0.285 1.00 0.00 C ATOM 339 O ASP A 23 14.979 3.638 -0.050 1.00 0.00 O ATOM 340 CB ASP A 23 12.981 1.414 -1.870 1.00 0.00 C ATOM 341 CG ASP A 23 14.025 1.770 -2.907 1.00 0.00 C ATOM 342 OD1 ASP A 23 14.093 2.942 -3.316 1.00 0.00 O ATOM 343 OD2 ASP A 23 14.798 0.872 -3.291 1.00 0.00 O ATOM 0 H ASP A 23 12.150 3.788 -1.564 1.00 0.00 H new ATOM 0 HA ASP A 23 12.713 1.619 0.238 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.055 0.351 -1.639 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.989 1.581 -2.290 1.00 0.00 H new ATOM 348 N ASP A 24 15.394 1.439 -0.310 1.00 0.00 N ATOM 349 CA ASP A 24 16.822 1.544 -0.051 1.00 0.00 C ATOM 350 C ASP A 24 17.488 2.473 -1.065 1.00 0.00 C ATOM 351 O ASP A 24 18.339 3.291 -0.713 1.00 0.00 O ATOM 352 CB ASP A 24 17.454 0.157 -0.116 1.00 0.00 C ATOM 353 CG ASP A 24 18.934 0.167 0.212 1.00 0.00 C ATOM 354 OD1 ASP A 24 19.280 0.281 1.405 1.00 0.00 O ATOM 355 OD2 ASP A 24 19.750 0.024 -0.717 1.00 0.00 O ATOM 0 H ASP A 24 15.076 0.491 -0.510 1.00 0.00 H new ATOM 0 HA ASP A 24 16.970 1.964 0.944 1.00 0.00 H new ATOM 0 HB2 ASP A 24 16.937 -0.505 0.579 1.00 0.00 H new ATOM 0 HB3 ASP A 24 17.311 -0.255 -1.115 1.00 0.00 H new ATOM 360 N ASP A 25 17.052 2.366 -2.319 1.00 0.00 N ATOM 361 CA ASP A 25 17.630 3.145 -3.414 1.00 0.00 C ATOM 362 C ASP A 25 17.358 4.636 -3.222 1.00 0.00 C ATOM 363 O ASP A 25 18.147 5.486 -3.640 1.00 0.00 O ATOM 364 CB ASP A 25 17.044 2.680 -4.753 1.00 0.00 C ATOM 365 CG ASP A 25 17.730 3.306 -5.953 1.00 0.00 C ATOM 366 OD1 ASP A 25 18.720 2.728 -6.443 1.00 0.00 O ATOM 367 OD2 ASP A 25 17.275 4.370 -6.426 1.00 0.00 O ATOM 0 H ASP A 25 16.296 1.744 -2.604 1.00 0.00 H new ATOM 0 HA ASP A 25 18.708 2.987 -3.415 1.00 0.00 H new ATOM 0 HB2 ASP A 25 17.125 1.595 -4.821 1.00 0.00 H new ATOM 0 HB3 ASP A 25 15.982 2.923 -4.782 1.00 0.00 H new ATOM 372 N GLY A 26 16.255 4.945 -2.554 1.00 0.00 N ATOM 373 CA GLY A 26 15.863 6.325 -2.370 1.00 0.00 C ATOM 374 C GLY A 26 14.591 6.636 -3.122 1.00 0.00 C ATOM 375 O GLY A 26 14.193 7.792 -3.241 1.00 0.00 O ATOM 0 H GLY A 26 15.624 4.261 -2.136 1.00 0.00 H new ATOM 0 HA2 GLY A 26 15.720 6.527 -1.308 1.00 0.00 H new ATOM 0 HA3 GLY A 26 16.662 6.982 -2.714 1.00 0.00 H new ATOM 379 N THR A 27 13.960 5.591 -3.636 1.00 0.00 N ATOM 380 CA THR A 27 12.714 5.722 -4.363 1.00 0.00 C ATOM 381 C THR A 27 11.572 6.016 -3.400 1.00 0.00 C ATOM 382 O THR A 27 11.276 5.212 -2.520 1.00 0.00 O ATOM 383 CB THR A 27 12.411 4.425 -5.125 1.00 0.00 C ATOM 384 OG1 THR A 27 13.551 4.046 -5.911 1.00 0.00 O ATOM 385 CG2 THR A 27 11.194 4.574 -6.023 1.00 0.00 C ATOM 0 H THR A 27 14.299 4.632 -3.559 1.00 0.00 H new ATOM 0 HA THR A 27 12.811 6.546 -5.070 1.00 0.00 H new ATOM 0 HB THR A 27 12.193 3.649 -4.392 1.00 0.00 H new ATOM 0 HG1 THR A 27 13.354 3.217 -6.394 1.00 0.00 H new ATOM 0 HG21 THR A 27 11.011 3.635 -6.546 1.00 0.00 H new ATOM 0 HG22 THR A 27 10.324 4.828 -5.417 1.00 0.00 H new ATOM 0 HG23 THR A 27 11.373 5.366 -6.750 1.00 0.00 H new ATOM 393 N GLU A 28 10.935 7.160 -3.578 1.00 0.00 N ATOM 394 CA GLU A 28 9.886 7.599 -2.673 1.00 0.00 C ATOM 395 C GLU A 28 8.536 7.637 -3.374 1.00 0.00 C ATOM 396 O GLU A 28 8.360 8.323 -4.384 1.00 0.00 O ATOM 397 CB GLU A 28 10.235 8.975 -2.115 1.00 0.00 C ATOM 398 CG GLU A 28 11.424 8.983 -1.170 1.00 0.00 C ATOM 399 CD GLU A 28 12.068 10.351 -1.089 1.00 0.00 C ATOM 400 OE1 GLU A 28 11.592 11.197 -0.310 1.00 0.00 O ATOM 401 OE2 GLU A 28 13.043 10.599 -1.829 1.00 0.00 O ATOM 0 H GLU A 28 11.127 7.805 -4.345 1.00 0.00 H new ATOM 0 HA GLU A 28 9.814 6.885 -1.853 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.442 9.649 -2.946 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.366 9.373 -1.590 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.101 8.674 -0.176 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.161 8.254 -1.506 1.00 0.00 H new ATOM 408 N GLU A 29 7.593 6.887 -2.833 1.00 0.00 N ATOM 409 CA GLU A 29 6.255 6.814 -3.382 1.00 0.00 C ATOM 410 C GLU A 29 5.253 6.604 -2.269 1.00 0.00 C ATOM 411 O GLU A 29 5.424 5.718 -1.441 1.00 0.00 O ATOM 412 CB GLU A 29 6.151 5.657 -4.369 1.00 0.00 C ATOM 413 CG GLU A 29 4.721 5.291 -4.747 1.00 0.00 C ATOM 414 CD GLU A 29 4.653 4.080 -5.645 1.00 0.00 C ATOM 415 OE1 GLU A 29 4.758 2.947 -5.129 1.00 0.00 O ATOM 416 OE2 GLU A 29 4.499 4.246 -6.874 1.00 0.00 O ATOM 0 H GLU A 29 7.735 6.313 -2.002 1.00 0.00 H new ATOM 0 HA GLU A 29 6.042 7.750 -3.898 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.700 5.915 -5.274 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.638 4.781 -3.939 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.146 5.100 -3.841 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.253 6.138 -5.249 1.00 0.00 H new ATOM 423 N TRP A 30 4.219 7.410 -2.237 1.00 0.00 N ATOM 424 CA TRP A 30 3.144 7.170 -1.309 1.00 0.00 C ATOM 425 C TRP A 30 1.990 6.506 -2.037 1.00 0.00 C ATOM 426 O TRP A 30 1.866 6.622 -3.255 1.00 0.00 O ATOM 427 CB TRP A 30 2.707 8.462 -0.611 1.00 0.00 C ATOM 428 CG TRP A 30 2.170 9.519 -1.523 1.00 0.00 C ATOM 429 CD1 TRP A 30 2.818 10.642 -1.947 1.00 0.00 C ATOM 430 CD2 TRP A 30 0.868 9.558 -2.109 1.00 0.00 C ATOM 431 NE1 TRP A 30 1.986 11.387 -2.748 1.00 0.00 N ATOM 432 CE2 TRP A 30 0.785 10.739 -2.864 1.00 0.00 C ATOM 433 CE3 TRP A 30 -0.237 8.705 -2.060 1.00 0.00 C ATOM 434 CZ2 TRP A 30 -0.360 11.091 -3.565 1.00 0.00 C ATOM 435 CZ3 TRP A 30 -1.375 9.057 -2.762 1.00 0.00 C ATOM 436 CH2 TRP A 30 -1.426 10.242 -3.504 1.00 0.00 C ATOM 0 H TRP A 30 4.101 8.228 -2.835 1.00 0.00 H new ATOM 0 HA TRP A 30 3.495 6.499 -0.525 1.00 0.00 H new ATOM 0 HB2 TRP A 30 1.944 8.218 0.128 1.00 0.00 H new ATOM 0 HB3 TRP A 30 3.559 8.870 -0.067 1.00 0.00 H new ATOM 0 HD1 TRP A 30 3.833 10.906 -1.691 1.00 0.00 H new ATOM 0 HE1 TRP A 30 2.224 12.277 -3.185 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.203 7.791 -1.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -0.405 12.005 -4.139 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -2.237 8.407 -2.737 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -2.330 10.490 -4.041 1.00 0.00 H new ATOM 447 N ARG A 31 1.175 5.790 -1.291 1.00 0.00 N ATOM 448 CA ARG A 31 0.029 5.076 -1.830 1.00 0.00 C ATOM 449 C ARG A 31 -1.136 5.190 -0.872 1.00 0.00 C ATOM 450 O ARG A 31 -1.019 5.791 0.194 1.00 0.00 O ATOM 451 CB ARG A 31 0.328 3.600 -2.075 1.00 0.00 C ATOM 452 CG ARG A 31 1.385 3.340 -3.129 1.00 0.00 C ATOM 453 CD ARG A 31 1.384 1.883 -3.569 1.00 0.00 C ATOM 454 NE ARG A 31 2.562 1.564 -4.369 1.00 0.00 N ATOM 455 CZ ARG A 31 2.685 0.490 -5.147 1.00 0.00 C ATOM 456 NH1 ARG A 31 1.760 -0.464 -5.129 1.00 0.00 N ATOM 457 NH2 ARG A 31 3.766 0.350 -5.903 1.00 0.00 N ATOM 0 H ARG A 31 1.288 5.684 -0.283 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.214 5.532 -2.790 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.649 3.147 -1.137 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.594 3.100 -2.372 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.207 3.982 -3.991 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.367 3.602 -2.734 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.353 1.237 -2.692 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.484 1.677 -4.148 1.00 0.00 H new ATOM 0 HE ARG A 31 3.349 2.211 -4.329 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.949 -0.377 -4.517 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.861 -1.284 -5.728 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.496 1.062 -5.886 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.867 -0.470 -6.501 1.00 0.00 H new ATOM 471 N CYS A 32 -2.236 4.570 -1.237 1.00 0.00 N ATOM 472 CA CYS A 32 -3.460 4.672 -0.472 1.00 0.00 C ATOM 473 C CYS A 32 -3.724 3.337 0.168 1.00 0.00 C ATOM 474 O CYS A 32 -3.715 2.309 -0.507 1.00 0.00 O ATOM 475 CB CYS A 32 -4.633 5.010 -1.397 1.00 0.00 C ATOM 476 SG CYS A 32 -4.427 6.565 -2.310 1.00 0.00 S ATOM 0 H CYS A 32 -2.308 3.983 -2.068 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.359 5.455 0.279 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.766 4.197 -2.110 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.546 5.067 -0.804 1.00 0.00 H new ATOM 481 N LEU A 33 -3.904 3.364 1.486 1.00 0.00 N ATOM 482 CA LEU A 33 -4.072 2.166 2.278 1.00 0.00 C ATOM 483 C LEU A 33 -5.134 1.254 1.694 1.00 0.00 C ATOM 484 O LEU A 33 -6.012 1.684 0.949 1.00 0.00 O ATOM 485 CB LEU A 33 -4.441 2.563 3.699 1.00 0.00 C ATOM 486 CG LEU A 33 -3.325 3.159 4.571 1.00 0.00 C ATOM 487 CD1 LEU A 33 -2.777 2.105 5.515 1.00 0.00 C ATOM 488 CD2 LEU A 33 -2.183 3.757 3.754 1.00 0.00 C ATOM 0 H LEU A 33 -3.936 4.226 2.030 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.134 1.612 2.276 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.254 3.288 3.648 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.832 1.681 4.206 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.777 3.973 5.138 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.987 2.540 6.127 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.578 1.742 6.160 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.372 1.274 4.937 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.427 4.161 4.427 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.737 2.982 3.131 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.568 4.555 3.120 1.00 0.00 H new ATOM 500 N LEU A 34 -5.040 0.001 2.060 1.00 0.00 N ATOM 501 CA LEU A 34 -5.848 -1.035 1.486 1.00 0.00 C ATOM 502 C LEU A 34 -7.324 -0.782 1.714 1.00 0.00 C ATOM 503 O LEU A 34 -7.734 -0.273 2.754 1.00 0.00 O ATOM 504 CB LEU A 34 -5.406 -2.365 2.071 1.00 0.00 C ATOM 505 CG LEU A 34 -3.908 -2.613 1.926 1.00 0.00 C ATOM 506 CD1 LEU A 34 -3.509 -3.927 2.563 1.00 0.00 C ATOM 507 CD2 LEU A 34 -3.521 -2.581 0.462 1.00 0.00 C ATOM 0 H LEU A 34 -4.391 -0.329 2.774 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.710 -1.051 0.405 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.673 -2.398 3.127 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.951 -3.171 1.579 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.372 -1.820 2.448 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.436 -4.078 2.445 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.758 -3.907 3.624 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.046 -4.743 2.080 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.450 -2.759 0.365 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.068 -3.356 -0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.766 -1.606 0.042 1.00 0.00 H new ATOM 519 N GLY A 35 -8.107 -1.091 0.705 1.00 0.00 N ATOM 520 CA GLY A 35 -9.532 -0.885 0.782 1.00 0.00 C ATOM 521 C GLY A 35 -9.916 0.558 0.547 1.00 0.00 C ATOM 522 O GLY A 35 -11.101 0.911 0.581 1.00 0.00 O ATOM 0 H GLY A 35 -7.780 -1.485 -0.177 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.028 -1.516 0.044 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.890 -1.199 1.763 1.00 0.00 H new ATOM 526 N TYR A 36 -8.916 1.402 0.325 1.00 0.00 N ATOM 527 CA TYR A 36 -9.149 2.802 0.038 1.00 0.00 C ATOM 528 C TYR A 36 -8.991 3.044 -1.441 1.00 0.00 C ATOM 529 O TYR A 36 -8.818 2.108 -2.221 1.00 0.00 O ATOM 530 CB TYR A 36 -8.182 3.699 0.804 1.00 0.00 C ATOM 531 CG TYR A 36 -8.284 3.582 2.308 1.00 0.00 C ATOM 532 CD1 TYR A 36 -9.187 2.716 2.911 1.00 0.00 C ATOM 533 CD2 TYR A 36 -7.461 4.332 3.124 1.00 0.00 C ATOM 534 CE1 TYR A 36 -9.265 2.606 4.280 1.00 0.00 C ATOM 535 CE2 TYR A 36 -7.532 4.225 4.501 1.00 0.00 C ATOM 536 CZ TYR A 36 -8.436 3.360 5.074 1.00 0.00 C ATOM 537 OH TYR A 36 -8.517 3.252 6.443 1.00 0.00 O ATOM 0 H TYR A 36 -7.932 1.134 0.340 1.00 0.00 H new ATOM 0 HA TYR A 36 -10.163 3.048 0.355 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.163 3.458 0.501 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.363 4.735 0.519 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.840 2.118 2.293 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -6.750 5.013 2.680 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -9.976 1.929 4.729 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.880 4.818 5.125 1.00 0.00 H new ATOM 0 HH TYR A 36 -7.862 3.851 6.858 1.00 0.00 H new ATOM 547 N LYS A 37 -9.064 4.295 -1.827 1.00 0.00 N ATOM 548 CA LYS A 37 -8.964 4.655 -3.213 1.00 0.00 C ATOM 549 C LYS A 37 -8.360 6.036 -3.342 1.00 0.00 C ATOM 550 O LYS A 37 -8.195 6.747 -2.349 1.00 0.00 O ATOM 551 CB LYS A 37 -10.348 4.630 -3.841 1.00 0.00 C ATOM 552 CG LYS A 37 -11.304 5.623 -3.217 1.00 0.00 C ATOM 553 CD LYS A 37 -12.686 5.519 -3.822 1.00 0.00 C ATOM 554 CE LYS A 37 -13.569 6.661 -3.355 1.00 0.00 C ATOM 555 NZ LYS A 37 -14.911 6.633 -3.992 1.00 0.00 N ATOM 0 H LYS A 37 -9.193 5.083 -1.192 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.322 3.941 -3.729 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.260 4.841 -4.907 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.764 3.627 -3.748 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.362 5.448 -2.143 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.921 6.634 -3.355 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.613 5.532 -4.909 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.138 4.567 -3.544 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.682 6.610 -2.272 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.082 7.610 -3.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.478 7.432 -3.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.807 6.708 -5.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.389 5.740 -3.756 1.00 0.00 H new ATOM 569 N LYS A 38 -8.042 6.401 -4.564 1.00 0.00 N ATOM 570 CA LYS A 38 -7.502 7.716 -4.847 1.00 0.00 C ATOM 571 C LYS A 38 -8.645 8.675 -5.113 1.00 0.00 C ATOM 572 O LYS A 38 -9.526 8.392 -5.925 1.00 0.00 O ATOM 573 CB LYS A 38 -6.574 7.668 -6.061 1.00 0.00 C ATOM 574 CG LYS A 38 -5.676 8.886 -6.168 1.00 0.00 C ATOM 575 CD LYS A 38 -4.648 8.912 -5.051 1.00 0.00 C ATOM 576 CE LYS A 38 -3.410 8.101 -5.399 1.00 0.00 C ATOM 577 NZ LYS A 38 -2.783 8.558 -6.670 1.00 0.00 N ATOM 0 H LYS A 38 -8.148 5.803 -5.383 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.925 8.056 -3.987 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.956 6.772 -6.004 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.174 7.585 -6.967 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.168 8.883 -7.133 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.281 9.792 -6.129 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.360 9.943 -4.847 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.095 8.519 -4.138 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.685 8.180 -4.589 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.679 7.048 -5.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.748 8.514 -6.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.091 7.942 -7.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.072 9.537 -6.867 1.00 0.00 H new ATOM 591 N GLY A 39 -8.630 9.801 -4.420 1.00 0.00 N ATOM 592 CA GLY A 39 -9.701 10.756 -4.540 1.00 0.00 C ATOM 593 C GLY A 39 -9.457 11.769 -5.637 1.00 0.00 C ATOM 594 O GLY A 39 -9.805 11.540 -6.791 1.00 0.00 O ATOM 0 H GLY A 39 -7.888 10.069 -3.773 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.633 10.228 -4.739 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.826 11.277 -3.591 1.00 0.00 H new ATOM 598 N GLU A 40 -8.836 12.878 -5.284 1.00 0.00 N ATOM 599 CA GLU A 40 -8.613 13.962 -6.229 1.00 0.00 C ATOM 600 C GLU A 40 -7.178 13.965 -6.760 1.00 0.00 C ATOM 601 O GLU A 40 -6.477 14.979 -6.710 1.00 0.00 O ATOM 602 CB GLU A 40 -8.954 15.295 -5.567 1.00 0.00 C ATOM 603 CG GLU A 40 -8.096 15.630 -4.357 1.00 0.00 C ATOM 604 CD GLU A 40 -8.551 16.895 -3.665 1.00 0.00 C ATOM 605 OE1 GLU A 40 -8.128 17.990 -4.084 1.00 0.00 O ATOM 606 OE2 GLU A 40 -9.348 16.799 -2.707 1.00 0.00 O ATOM 0 H GLU A 40 -8.475 13.055 -4.347 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.268 13.810 -7.087 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.849 16.091 -6.304 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.001 15.279 -5.263 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.128 14.800 -3.651 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.058 15.743 -4.670 1.00 0.00 H new ATOM 613 N GLY A 41 -6.753 12.824 -7.281 1.00 0.00 N ATOM 614 CA GLY A 41 -5.431 12.724 -7.864 1.00 0.00 C ATOM 615 C GLY A 41 -4.369 12.356 -6.849 1.00 0.00 C ATOM 616 O GLY A 41 -3.752 11.294 -6.942 1.00 0.00 O ATOM 0 H GLY A 41 -7.301 11.964 -7.311 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.444 11.976 -8.657 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.170 13.675 -8.327 1.00 0.00 H new ATOM 620 N ASN A 42 -4.157 13.226 -5.877 1.00 0.00 N ATOM 621 CA ASN A 42 -3.144 12.991 -4.860 1.00 0.00 C ATOM 622 C ASN A 42 -3.756 12.977 -3.466 1.00 0.00 C ATOM 623 O ASN A 42 -3.238 13.589 -2.533 1.00 0.00 O ATOM 624 CB ASN A 42 -2.021 14.039 -4.950 1.00 0.00 C ATOM 625 CG ASN A 42 -2.488 15.464 -4.687 1.00 0.00 C ATOM 626 OD1 ASN A 42 -3.623 15.835 -4.998 1.00 0.00 O ATOM 627 ND2 ASN A 42 -1.615 16.270 -4.106 1.00 0.00 N ATOM 0 H ASN A 42 -4.671 14.100 -5.769 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.710 12.009 -5.046 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.241 13.784 -4.233 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.571 13.991 -5.942 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.871 17.236 -3.900 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.686 15.926 -3.864 1.00 0.00 H new ATOM 634 N THR A 43 -4.860 12.263 -3.327 1.00 0.00 N ATOM 635 CA THR A 43 -5.487 12.074 -2.033 1.00 0.00 C ATOM 636 C THR A 43 -5.988 10.664 -1.896 1.00 0.00 C ATOM 637 O THR A 43 -6.420 10.051 -2.869 1.00 0.00 O ATOM 638 CB THR A 43 -6.661 13.026 -1.777 1.00 0.00 C ATOM 639 OG1 THR A 43 -7.554 13.040 -2.895 1.00 0.00 O ATOM 640 CG2 THR A 43 -6.160 14.423 -1.485 1.00 0.00 C ATOM 0 H THR A 43 -5.342 11.803 -4.100 1.00 0.00 H new ATOM 0 HA THR A 43 -4.713 12.291 -1.297 1.00 0.00 H new ATOM 0 HB THR A 43 -7.207 12.665 -0.905 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.477 12.950 -2.578 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.008 15.084 -1.306 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.522 14.404 -0.601 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.588 14.790 -2.337 1.00 0.00 H new ATOM 648 N CYS A 44 -5.932 10.153 -0.696 1.00 0.00 N ATOM 649 CA CYS A 44 -6.431 8.829 -0.430 1.00 0.00 C ATOM 650 C CYS A 44 -7.661 8.909 0.442 1.00 0.00 C ATOM 651 O CYS A 44 -7.703 9.654 1.420 1.00 0.00 O ATOM 652 CB CYS A 44 -5.340 7.980 0.201 1.00 0.00 C ATOM 653 SG CYS A 44 -3.864 7.856 -0.859 1.00 0.00 S ATOM 0 H CYS A 44 -5.545 10.634 0.116 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.720 8.350 -1.365 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -5.059 8.409 1.163 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -5.728 6.981 0.398 1.00 0.00 H new ATOM 658 N VAL A 45 -8.673 8.171 0.053 1.00 0.00 N ATOM 659 CA VAL A 45 -9.949 8.209 0.731 1.00 0.00 C ATOM 660 C VAL A 45 -10.477 6.808 0.923 1.00 0.00 C ATOM 661 O VAL A 45 -10.232 5.919 0.107 1.00 0.00 O ATOM 662 CB VAL A 45 -10.990 9.045 -0.047 1.00 0.00 C ATOM 663 CG1 VAL A 45 -10.630 10.525 -0.028 1.00 0.00 C ATOM 664 CG2 VAL A 45 -11.108 8.559 -1.484 1.00 0.00 C ATOM 0 H VAL A 45 -8.637 7.529 -0.739 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.788 8.683 1.699 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.952 8.916 0.448 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.380 11.089 -0.583 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.599 10.879 1.003 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.653 10.668 -0.490 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.846 9.162 -2.013 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -10.142 8.652 -1.980 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -11.421 7.515 -1.490 1.00 0.00 H new ATOM 674 N GLU A 46 -11.180 6.621 2.015 1.00 0.00 N ATOM 675 CA GLU A 46 -11.763 5.342 2.350 1.00 0.00 C ATOM 676 C GLU A 46 -12.788 4.922 1.306 1.00 0.00 C ATOM 677 O GLU A 46 -13.896 5.452 1.254 1.00 0.00 O ATOM 678 CB GLU A 46 -12.423 5.435 3.714 1.00 0.00 C ATOM 679 CG GLU A 46 -11.443 5.458 4.873 1.00 0.00 C ATOM 680 CD GLU A 46 -12.094 5.911 6.161 1.00 0.00 C ATOM 681 OE1 GLU A 46 -12.262 7.138 6.349 1.00 0.00 O ATOM 682 OE2 GLU A 46 -12.466 5.048 6.983 1.00 0.00 O ATOM 0 H GLU A 46 -11.365 7.354 2.699 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.973 4.591 2.372 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -13.034 6.337 3.750 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -13.098 4.588 3.839 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.022 4.462 5.011 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.614 6.124 4.633 1.00 0.00 H new ATOM 689 N ASN A 47 -12.412 3.958 0.485 1.00 0.00 N ATOM 690 CA ASN A 47 -13.272 3.487 -0.588 1.00 0.00 C ATOM 691 C ASN A 47 -14.429 2.668 -0.025 1.00 0.00 C ATOM 692 O ASN A 47 -15.586 2.910 -0.356 1.00 0.00 O ATOM 693 CB ASN A 47 -12.442 2.678 -1.598 1.00 0.00 C ATOM 694 CG ASN A 47 -13.251 2.064 -2.726 1.00 0.00 C ATOM 695 OD1 ASN A 47 -14.361 2.489 -3.032 1.00 0.00 O ATOM 696 ND2 ASN A 47 -12.655 1.083 -3.382 1.00 0.00 N ATOM 0 H ASN A 47 -11.511 3.483 0.541 1.00 0.00 H new ATOM 0 HA ASN A 47 -13.703 4.342 -1.109 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -11.679 3.328 -2.026 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -11.920 1.882 -1.066 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -13.119 0.647 -4.179 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.731 0.762 -3.091 1.00 0.00 H new ATOM 703 N ASN A 48 -14.092 1.708 0.841 1.00 0.00 N ATOM 704 CA ASN A 48 -15.079 0.869 1.547 1.00 0.00 C ATOM 705 C ASN A 48 -15.846 -0.058 0.615 1.00 0.00 C ATOM 706 O ASN A 48 -16.533 -0.972 1.069 1.00 0.00 O ATOM 707 CB ASN A 48 -16.042 1.701 2.391 1.00 0.00 C ATOM 708 CG ASN A 48 -15.554 1.815 3.817 1.00 0.00 C ATOM 709 OD1 ASN A 48 -14.765 2.833 4.094 1.00 0.00 O flip ATOM 710 ND2 ASN A 48 -15.874 0.980 4.662 1.00 0.00 N flip ATOM 0 H ASN A 48 -13.125 1.486 1.077 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.497 0.239 2.220 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.144 2.696 1.957 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -17.031 1.244 2.377 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -16.487 0.206 4.407 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -15.526 1.062 5.617 1.00 0.00 H new ATOM 717 N ASN A 49 -15.695 0.156 -0.680 1.00 0.00 N ATOM 718 CA ASN A 49 -16.158 -0.796 -1.676 1.00 0.00 C ATOM 719 C ASN A 49 -14.986 -1.229 -2.574 1.00 0.00 C ATOM 720 O ASN A 49 -15.075 -1.167 -3.801 1.00 0.00 O ATOM 721 CB ASN A 49 -17.254 -0.147 -2.510 1.00 0.00 C ATOM 722 CG ASN A 49 -17.934 -1.112 -3.469 1.00 0.00 C ATOM 723 OD1 ASN A 49 -18.030 -2.313 -3.206 1.00 0.00 O ATOM 724 ND2 ASN A 49 -18.427 -0.591 -4.579 1.00 0.00 N ATOM 0 H ASN A 49 -15.252 0.988 -1.070 1.00 0.00 H new ATOM 0 HA ASN A 49 -16.557 -1.682 -1.182 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -18.003 0.280 -1.843 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -16.827 0.679 -3.079 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -18.907 -1.188 -5.253 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -18.328 0.408 -4.762 1.00 0.00 H new ATOM 731 N PRO A 50 -13.846 -1.635 -1.973 1.00 0.00 N ATOM 732 CA PRO A 50 -12.649 -2.012 -2.722 1.00 0.00 C ATOM 733 C PRO A 50 -12.818 -3.293 -3.527 1.00 0.00 C ATOM 734 O PRO A 50 -13.366 -4.289 -3.046 1.00 0.00 O ATOM 735 CB PRO A 50 -11.582 -2.201 -1.652 1.00 0.00 C ATOM 736 CG PRO A 50 -12.323 -2.431 -0.387 1.00 0.00 C ATOM 737 CD PRO A 50 -13.630 -1.734 -0.526 1.00 0.00 C ATOM 0 HA PRO A 50 -12.402 -1.250 -3.461 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.936 -3.047 -1.887 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.942 -1.322 -1.577 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -12.469 -3.497 -0.212 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -11.765 -2.042 0.465 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -14.431 -2.294 -0.043 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -13.605 -0.749 -0.061 1.00 0.00 H new ATOM 745 N THR A 51 -12.338 -3.254 -4.753 1.00 0.00 N ATOM 746 CA THR A 51 -12.384 -4.398 -5.634 1.00 0.00 C ATOM 747 C THR A 51 -10.976 -4.789 -6.051 1.00 0.00 C ATOM 748 O THR A 51 -10.082 -3.939 -6.125 1.00 0.00 O ATOM 749 CB THR A 51 -13.223 -4.101 -6.894 1.00 0.00 C ATOM 750 OG1 THR A 51 -13.358 -5.282 -7.696 1.00 0.00 O ATOM 751 CG2 THR A 51 -12.589 -2.995 -7.732 1.00 0.00 C ATOM 0 H THR A 51 -11.905 -2.427 -5.165 1.00 0.00 H new ATOM 0 HA THR A 51 -12.852 -5.219 -5.091 1.00 0.00 H new ATOM 0 HB THR A 51 -14.207 -3.770 -6.562 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.894 -5.078 -8.491 1.00 0.00 H new ATOM 0 HG21 THR A 51 -13.203 -2.808 -8.613 1.00 0.00 H new ATOM 0 HG22 THR A 51 -12.519 -2.083 -7.139 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.591 -3.302 -8.044 1.00 0.00 H new ATOM 759 N CYS A 52 -10.765 -6.066 -6.308 1.00 0.00 N ATOM 760 CA CYS A 52 -9.517 -6.491 -6.891 1.00 0.00 C ATOM 761 C CYS A 52 -9.674 -6.354 -8.395 1.00 0.00 C ATOM 762 O CYS A 52 -10.630 -6.886 -8.961 1.00 0.00 O ATOM 763 CB CYS A 52 -9.228 -7.945 -6.519 1.00 0.00 C ATOM 764 SG CYS A 52 -7.483 -8.428 -6.695 1.00 0.00 S ATOM 0 H CYS A 52 -11.434 -6.814 -6.124 1.00 0.00 H new ATOM 0 HA CYS A 52 -8.686 -5.888 -6.526 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -9.537 -8.113 -5.487 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -9.838 -8.596 -7.145 1.00 0.00 H new ATOM 769 N ASP A 53 -8.706 -5.690 -9.025 1.00 0.00 N ATOM 770 CA ASP A 53 -8.840 -5.205 -10.404 1.00 0.00 C ATOM 771 C ASP A 53 -7.968 -3.978 -10.589 1.00 0.00 C ATOM 772 O ASP A 53 -7.142 -3.917 -11.494 1.00 0.00 O ATOM 773 CB ASP A 53 -10.283 -4.784 -10.721 1.00 0.00 C ATOM 774 CG ASP A 53 -10.464 -4.357 -12.165 1.00 0.00 C ATOM 775 OD1 ASP A 53 -10.629 -5.239 -13.035 1.00 0.00 O ATOM 776 OD2 ASP A 53 -10.460 -3.135 -12.437 1.00 0.00 O ATOM 0 H ASP A 53 -7.806 -5.472 -8.597 1.00 0.00 H new ATOM 0 HA ASP A 53 -8.544 -6.020 -11.065 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.955 -5.614 -10.505 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -10.570 -3.962 -10.065 1.00 0.00 H new ATOM 781 N ILE A 54 -8.163 -3.008 -9.695 1.00 0.00 N ATOM 782 CA ILE A 54 -7.548 -1.695 -9.823 1.00 0.00 C ATOM 783 C ILE A 54 -6.038 -1.781 -9.723 1.00 0.00 C ATOM 784 O ILE A 54 -5.342 -1.943 -10.720 1.00 0.00 O ATOM 785 CB ILE A 54 -8.100 -0.738 -8.741 1.00 0.00 C ATOM 786 CG1 ILE A 54 -9.622 -0.630 -8.878 1.00 0.00 C ATOM 787 CG2 ILE A 54 -7.439 0.634 -8.827 1.00 0.00 C ATOM 788 CD1 ILE A 54 -10.294 0.073 -7.719 1.00 0.00 C ATOM 0 H ILE A 54 -8.749 -3.114 -8.867 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.798 -1.302 -10.809 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.864 -1.146 -7.758 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.857 -0.097 -9.799 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -10.040 -1.632 -8.974 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.848 1.284 -8.054 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.364 0.530 -8.682 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.632 1.070 -9.807 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.370 0.110 -7.890 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.091 -0.471 -6.797 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -9.905 1.088 -7.634 1.00 0.00 H new ATOM 800 N ASN A 55 -5.543 -1.666 -8.517 1.00 0.00 N ATOM 801 CA ASN A 55 -4.156 -1.900 -8.252 1.00 0.00 C ATOM 802 C ASN A 55 -4.070 -3.141 -7.413 1.00 0.00 C ATOM 803 O ASN A 55 -3.550 -3.125 -6.308 1.00 0.00 O ATOM 804 CB ASN A 55 -3.529 -0.716 -7.538 1.00 0.00 C ATOM 805 CG ASN A 55 -2.024 -0.845 -7.448 1.00 0.00 C ATOM 806 OD1 ASN A 55 -1.392 -1.470 -8.302 1.00 0.00 O ATOM 807 ND2 ASN A 55 -1.434 -0.256 -6.431 1.00 0.00 N ATOM 0 H ASN A 55 -6.092 -1.408 -7.697 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.606 -2.028 -9.184 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.784 0.203 -8.066 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.947 -0.634 -6.535 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.420 -0.308 -6.330 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.990 0.253 -5.744 1.00 0.00 H new ATOM 814 N ASN A 56 -4.678 -4.207 -7.927 1.00 0.00 N ATOM 815 CA ASN A 56 -4.730 -5.484 -7.213 1.00 0.00 C ATOM 816 C ASN A 56 -5.554 -5.283 -5.949 1.00 0.00 C ATOM 817 O ASN A 56 -5.303 -5.898 -4.932 1.00 0.00 O ATOM 818 CB ASN A 56 -3.321 -5.991 -6.824 1.00 0.00 C ATOM 819 CG ASN A 56 -2.241 -5.606 -7.799 1.00 0.00 C ATOM 820 OD1 ASN A 56 -1.136 -5.147 -7.252 1.00 0.00 O flip ATOM 821 ND2 ASN A 56 -2.404 -5.687 -9.017 1.00 0.00 N flip ATOM 0 H ASN A 56 -5.142 -4.214 -8.835 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.177 -6.231 -7.869 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.064 -5.599 -5.840 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.348 -7.077 -6.738 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.281 -6.050 -9.391 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.662 -5.391 -9.652 1.00 0.00 H new ATOM 828 N GLY A 57 -6.506 -4.362 -6.011 1.00 0.00 N ATOM 829 CA GLY A 57 -7.323 -4.065 -4.855 1.00 0.00 C ATOM 830 C GLY A 57 -6.732 -2.957 -4.007 1.00 0.00 C ATOM 831 O GLY A 57 -7.356 -2.499 -3.052 1.00 0.00 O ATOM 0 H GLY A 57 -6.726 -3.815 -6.843 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.322 -3.776 -5.182 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.433 -4.964 -4.249 1.00 0.00 H new ATOM 835 N GLY A 58 -5.537 -2.515 -4.372 1.00 0.00 N ATOM 836 CA GLY A 58 -4.842 -1.518 -3.586 1.00 0.00 C ATOM 837 C GLY A 58 -3.508 -2.045 -3.090 1.00 0.00 C ATOM 838 O GLY A 58 -2.861 -1.452 -2.233 1.00 0.00 O ATOM 0 H GLY A 58 -5.035 -2.831 -5.202 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.682 -0.623 -4.187 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.459 -1.225 -2.737 1.00 0.00 H new ATOM 842 N CYS A 59 -3.096 -3.146 -3.691 1.00 0.00 N ATOM 843 CA CYS A 59 -1.909 -3.886 -3.318 1.00 0.00 C ATOM 844 C CYS A 59 -0.808 -3.655 -4.323 1.00 0.00 C ATOM 845 O CYS A 59 -0.944 -2.894 -5.276 1.00 0.00 O ATOM 846 CB CYS A 59 -2.197 -5.388 -3.308 1.00 0.00 C ATOM 847 SG CYS A 59 -3.760 -5.866 -2.511 1.00 0.00 S ATOM 0 H CYS A 59 -3.596 -3.561 -4.477 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.609 -3.543 -2.328 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.207 -5.748 -4.337 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.377 -5.896 -2.800 1.00 0.00 H new ATOM 852 N ASP A 60 0.283 -4.328 -4.089 1.00 0.00 N ATOM 853 CA ASP A 60 1.388 -4.348 -5.009 1.00 0.00 C ATOM 854 C ASP A 60 1.282 -5.645 -5.764 1.00 0.00 C ATOM 855 O ASP A 60 0.766 -6.610 -5.235 1.00 0.00 O ATOM 856 CB ASP A 60 2.678 -4.324 -4.209 1.00 0.00 C ATOM 857 CG ASP A 60 3.898 -4.049 -5.059 1.00 0.00 C ATOM 858 OD1 ASP A 60 4.212 -2.865 -5.291 1.00 0.00 O ATOM 859 OD2 ASP A 60 4.542 -5.017 -5.500 1.00 0.00 O ATOM 0 H ASP A 60 0.433 -4.884 -3.247 1.00 0.00 H new ATOM 0 HA ASP A 60 1.377 -3.496 -5.689 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.603 -3.562 -3.434 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.803 -5.282 -3.704 1.00 0.00 H new ATOM 864 N PRO A 61 1.650 -5.657 -7.048 1.00 0.00 N ATOM 865 CA PRO A 61 1.505 -6.847 -7.885 1.00 0.00 C ATOM 866 C PRO A 61 2.262 -8.044 -7.318 1.00 0.00 C ATOM 867 O PRO A 61 2.061 -9.184 -7.737 1.00 0.00 O ATOM 868 CB PRO A 61 2.111 -6.431 -9.224 1.00 0.00 C ATOM 869 CG PRO A 61 2.141 -4.948 -9.222 1.00 0.00 C ATOM 870 CD PRO A 61 2.187 -4.511 -7.788 1.00 0.00 C ATOM 0 HA PRO A 61 0.464 -7.163 -7.956 1.00 0.00 H new ATOM 0 HB2 PRO A 61 3.114 -6.840 -9.341 1.00 0.00 H new ATOM 0 HB3 PRO A 61 1.514 -6.807 -10.055 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.011 -4.579 -9.765 1.00 0.00 H new ATOM 0 HG3 PRO A 61 1.260 -4.544 -9.720 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.204 -4.276 -7.475 1.00 0.00 H new ATOM 0 HD3 PRO A 61 1.588 -3.615 -7.625 1.00 0.00 H new ATOM 878 N THR A 62 3.157 -7.766 -6.382 1.00 0.00 N ATOM 879 CA THR A 62 3.883 -8.802 -5.677 1.00 0.00 C ATOM 880 C THR A 62 3.099 -9.232 -4.441 1.00 0.00 C ATOM 881 O THR A 62 3.337 -10.292 -3.862 1.00 0.00 O ATOM 882 CB THR A 62 5.282 -8.292 -5.285 1.00 0.00 C ATOM 883 OG1 THR A 62 5.175 -7.266 -4.289 1.00 0.00 O ATOM 884 CG2 THR A 62 5.972 -7.723 -6.515 1.00 0.00 C ATOM 0 H THR A 62 3.397 -6.818 -6.093 1.00 0.00 H new ATOM 0 HA THR A 62 4.004 -9.666 -6.330 1.00 0.00 H new ATOM 0 HB THR A 62 5.862 -9.122 -4.881 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.276 -6.388 -4.712 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.963 -7.361 -6.241 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.066 -8.502 -7.272 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.382 -6.898 -6.914 1.00 0.00 H new ATOM 892 N ALA A 63 2.146 -8.389 -4.059 1.00 0.00 N ATOM 893 CA ALA A 63 1.198 -8.699 -3.008 1.00 0.00 C ATOM 894 C ALA A 63 -0.030 -9.375 -3.606 1.00 0.00 C ATOM 895 O ALA A 63 -0.898 -8.716 -4.176 1.00 0.00 O ATOM 896 CB ALA A 63 0.794 -7.428 -2.269 1.00 0.00 C ATOM 0 H ALA A 63 2.013 -7.467 -4.475 1.00 0.00 H new ATOM 0 HA ALA A 63 1.666 -9.378 -2.296 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.081 -7.676 -1.482 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.678 -6.968 -1.827 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.334 -6.731 -2.969 1.00 0.00 H new ATOM 902 N SER A 64 -0.076 -10.693 -3.484 1.00 0.00 N ATOM 903 CA SER A 64 -1.183 -11.491 -3.991 1.00 0.00 C ATOM 904 C SER A 64 -2.500 -10.962 -3.434 1.00 0.00 C ATOM 905 O SER A 64 -2.704 -10.945 -2.217 1.00 0.00 O ATOM 906 CB SER A 64 -0.974 -12.954 -3.582 1.00 0.00 C ATOM 907 OG SER A 64 -1.859 -13.832 -4.257 1.00 0.00 O ATOM 0 H SER A 64 0.655 -11.241 -3.030 1.00 0.00 H new ATOM 0 HA SER A 64 -1.220 -11.426 -5.078 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.055 -13.245 -3.794 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.118 -13.053 -2.506 1.00 0.00 H new ATOM 0 HG SER A 64 -1.690 -14.753 -3.968 1.00 0.00 H new ATOM 913 N CYS A 65 -3.376 -10.518 -4.325 1.00 0.00 N ATOM 914 CA CYS A 65 -4.623 -9.894 -3.921 1.00 0.00 C ATOM 915 C CYS A 65 -5.751 -10.894 -3.775 1.00 0.00 C ATOM 916 O CYS A 65 -5.935 -11.795 -4.599 1.00 0.00 O ATOM 917 CB CYS A 65 -5.048 -8.829 -4.923 1.00 0.00 C ATOM 918 SG CYS A 65 -6.802 -8.348 -4.788 1.00 0.00 S ATOM 0 H CYS A 65 -3.243 -10.580 -5.334 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.432 -9.441 -2.948 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -4.427 -7.944 -4.784 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -4.858 -9.196 -5.932 1.00 0.00 H new ATOM 923 N GLN A 66 -6.499 -10.699 -2.713 1.00 0.00 N ATOM 924 CA GLN A 66 -7.726 -11.427 -2.461 1.00 0.00 C ATOM 925 C GLN A 66 -8.767 -10.428 -1.987 1.00 0.00 C ATOM 926 O GLN A 66 -8.545 -9.744 -0.990 1.00 0.00 O ATOM 927 CB GLN A 66 -7.522 -12.495 -1.384 1.00 0.00 C ATOM 928 CG GLN A 66 -6.078 -12.655 -0.983 1.00 0.00 C ATOM 929 CD GLN A 66 -5.365 -13.758 -1.738 1.00 0.00 C ATOM 930 OE1 GLN A 66 -5.961 -14.772 -2.103 1.00 0.00 O ATOM 931 NE2 GLN A 66 -4.086 -13.556 -1.987 1.00 0.00 N ATOM 0 H GLN A 66 -6.270 -10.020 -1.987 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.046 -11.929 -3.374 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -8.111 -12.234 -0.505 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -7.900 -13.450 -1.750 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -5.555 -11.713 -1.150 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -6.026 -12.863 0.086 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.633 -12.701 -1.665 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -3.550 -14.255 -2.501 1.00 0.00 H new ATOM 940 N ASN A 67 -9.874 -10.299 -2.693 1.00 0.00 N ATOM 941 CA ASN A 67 -10.891 -9.354 -2.264 1.00 0.00 C ATOM 942 C ASN A 67 -11.867 -9.993 -1.309 1.00 0.00 C ATOM 943 O ASN A 67 -12.377 -11.094 -1.536 1.00 0.00 O ATOM 944 CB ASN A 67 -11.637 -8.690 -3.423 1.00 0.00 C ATOM 945 CG ASN A 67 -12.150 -9.644 -4.481 1.00 0.00 C ATOM 946 OD1 ASN A 67 -11.539 -10.672 -4.781 1.00 0.00 O ATOM 947 ND2 ASN A 67 -13.287 -9.301 -5.059 1.00 0.00 N ATOM 0 H ASN A 67 -10.091 -10.820 -3.543 1.00 0.00 H new ATOM 0 HA ASN A 67 -10.352 -8.561 -1.745 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -12.481 -8.130 -3.020 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -10.973 -7.968 -3.897 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -13.691 -9.896 -5.783 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -13.761 -8.442 -4.782 1.00 0.00 H new ATOM 954 N ALA A 68 -12.113 -9.272 -0.245 1.00 0.00 N ATOM 955 CA ALA A 68 -12.929 -9.743 0.853 1.00 0.00 C ATOM 956 C ALA A 68 -13.721 -8.591 1.435 1.00 0.00 C ATOM 957 O ALA A 68 -13.499 -7.432 1.082 1.00 0.00 O ATOM 958 CB ALA A 68 -12.046 -10.361 1.921 1.00 0.00 C ATOM 0 H ALA A 68 -11.749 -8.329 -0.112 1.00 0.00 H new ATOM 0 HA ALA A 68 -13.623 -10.499 0.486 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -12.665 -10.714 2.746 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -11.494 -11.200 1.496 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -11.343 -9.614 2.289 1.00 0.00 H new ATOM 964 N GLU A 69 -14.640 -8.911 2.322 1.00 0.00 N ATOM 965 CA GLU A 69 -15.437 -7.898 2.978 1.00 0.00 C ATOM 966 C GLU A 69 -15.324 -8.029 4.481 1.00 0.00 C ATOM 967 O GLU A 69 -16.056 -8.780 5.124 1.00 0.00 O ATOM 968 CB GLU A 69 -16.882 -7.996 2.536 1.00 0.00 C ATOM 969 CG GLU A 69 -17.032 -7.850 1.036 1.00 0.00 C ATOM 970 CD GLU A 69 -18.396 -8.255 0.536 1.00 0.00 C ATOM 971 OE1 GLU A 69 -19.296 -7.389 0.491 1.00 0.00 O ATOM 972 OE2 GLU A 69 -18.571 -9.437 0.173 1.00 0.00 O ATOM 0 H GLU A 69 -14.853 -9.867 2.605 1.00 0.00 H new ATOM 0 HA GLU A 69 -15.058 -6.917 2.692 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -17.292 -8.957 2.849 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -17.466 -7.223 3.035 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -16.842 -6.814 0.757 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -16.275 -8.457 0.540 1.00 0.00 H new ATOM 979 N SER A 70 -14.389 -7.287 5.016 1.00 0.00 N ATOM 980 CA SER A 70 -14.103 -7.300 6.439 1.00 0.00 C ATOM 981 C SER A 70 -14.668 -6.049 7.095 1.00 0.00 C ATOM 982 O SER A 70 -15.066 -5.111 6.397 1.00 0.00 O ATOM 983 CB SER A 70 -12.590 -7.368 6.660 1.00 0.00 C ATOM 984 OG SER A 70 -12.267 -7.675 8.004 1.00 0.00 O ATOM 0 H SER A 70 -13.798 -6.652 4.480 1.00 0.00 H new ATOM 0 HA SER A 70 -14.571 -8.176 6.889 1.00 0.00 H new ATOM 0 HB2 SER A 70 -12.160 -8.123 6.002 1.00 0.00 H new ATOM 0 HB3 SER A 70 -12.140 -6.414 6.387 1.00 0.00 H new ATOM 0 HG SER A 70 -11.293 -7.712 8.106 1.00 0.00 H new ATOM 990 N THR A 71 -14.692 -6.025 8.419 1.00 0.00 N ATOM 991 CA THR A 71 -15.135 -4.849 9.149 1.00 0.00 C ATOM 992 C THR A 71 -14.226 -3.669 8.825 1.00 0.00 C ATOM 993 O THR A 71 -14.669 -2.524 8.732 1.00 0.00 O ATOM 994 CB THR A 71 -15.153 -5.109 10.675 1.00 0.00 C ATOM 995 OG1 THR A 71 -15.477 -3.912 11.389 1.00 0.00 O ATOM 996 CG2 THR A 71 -13.812 -5.644 11.159 1.00 0.00 C ATOM 0 H THR A 71 -14.410 -6.807 9.009 1.00 0.00 H new ATOM 0 HA THR A 71 -16.154 -4.616 8.839 1.00 0.00 H new ATOM 0 HB THR A 71 -15.919 -5.860 10.869 1.00 0.00 H new ATOM 0 HG1 THR A 71 -15.485 -4.097 12.351 1.00 0.00 H new ATOM 0 HG21 THR A 71 -13.856 -5.817 12.234 1.00 0.00 H new ATOM 0 HG22 THR A 71 -13.589 -6.582 10.650 1.00 0.00 H new ATOM 0 HG23 THR A 71 -13.030 -4.917 10.940 1.00 0.00 H new ATOM 1004 N GLU A 72 -12.957 -3.968 8.605 1.00 0.00 N ATOM 1005 CA GLU A 72 -11.996 -2.954 8.231 1.00 0.00 C ATOM 1006 C GLU A 72 -11.951 -2.824 6.723 1.00 0.00 C ATOM 1007 O GLU A 72 -11.767 -3.816 6.020 1.00 0.00 O ATOM 1008 CB GLU A 72 -10.614 -3.317 8.750 1.00 0.00 C ATOM 1009 CG GLU A 72 -10.486 -3.247 10.258 1.00 0.00 C ATOM 1010 CD GLU A 72 -10.430 -1.824 10.768 1.00 0.00 C ATOM 1011 OE1 GLU A 72 -11.502 -1.218 10.974 1.00 0.00 O ATOM 1012 OE2 GLU A 72 -9.311 -1.303 10.961 1.00 0.00 O ATOM 0 H GLU A 72 -12.571 -4.909 8.680 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.301 -2.005 8.671 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.367 -4.326 8.421 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.881 -2.647 8.302 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.331 -3.761 10.716 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -9.585 -3.777 10.568 1.00 0.00 H new ATOM 1019 N ASN A 73 -12.127 -1.604 6.230 1.00 0.00 N ATOM 1020 CA ASN A 73 -11.956 -1.322 4.808 1.00 0.00 C ATOM 1021 C ASN A 73 -10.564 -1.731 4.378 1.00 0.00 C ATOM 1022 O ASN A 73 -10.368 -2.226 3.273 1.00 0.00 O ATOM 1023 CB ASN A 73 -12.174 0.163 4.481 1.00 0.00 C ATOM 1024 CG ASN A 73 -12.201 1.037 5.721 1.00 0.00 C ATOM 1025 OD1 ASN A 73 -13.394 1.326 6.216 1.00 0.00 O flip ATOM 1026 ND2 ASN A 73 -11.161 1.451 6.224 1.00 0.00 N flip ATOM 0 H ASN A 73 -12.388 -0.794 6.792 1.00 0.00 H new ATOM 0 HA ASN A 73 -12.708 -1.895 4.265 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.380 0.505 3.817 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -13.113 0.278 3.940 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -10.261 1.205 5.811 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -11.196 2.041 7.055 1.00 0.00 H new ATOM 1033 N SER A 74 -9.605 -1.555 5.276 1.00 0.00 N ATOM 1034 CA SER A 74 -8.227 -1.885 4.981 1.00 0.00 C ATOM 1035 C SER A 74 -8.017 -3.398 4.994 1.00 0.00 C ATOM 1036 O SER A 74 -7.128 -3.917 4.324 1.00 0.00 O ATOM 1037 CB SER A 74 -7.285 -1.197 5.980 1.00 0.00 C ATOM 1038 OG SER A 74 -5.988 -1.025 5.430 1.00 0.00 O ATOM 0 H SER A 74 -9.761 -1.185 6.214 1.00 0.00 H new ATOM 0 HA SER A 74 -7.994 -1.520 3.981 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.695 -0.227 6.261 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.220 -1.792 6.891 1.00 0.00 H new ATOM 0 HG SER A 74 -5.347 -1.575 5.927 1.00 0.00 H new ATOM 1044 N LYS A 75 -8.848 -4.112 5.748 1.00 0.00 N ATOM 1045 CA LYS A 75 -8.722 -5.558 5.834 1.00 0.00 C ATOM 1046 C LYS A 75 -9.636 -6.237 4.828 1.00 0.00 C ATOM 1047 O LYS A 75 -9.805 -7.456 4.859 1.00 0.00 O ATOM 1048 CB LYS A 75 -9.041 -6.069 7.243 1.00 0.00 C ATOM 1049 CG LYS A 75 -8.130 -5.541 8.346 1.00 0.00 C ATOM 1050 CD LYS A 75 -6.660 -5.744 8.022 1.00 0.00 C ATOM 1051 CE LYS A 75 -6.078 -4.515 7.347 1.00 0.00 C ATOM 1052 NZ LYS A 75 -4.684 -4.721 6.881 1.00 0.00 N ATOM 0 H LYS A 75 -9.607 -3.715 6.302 1.00 0.00 H new ATOM 0 HA LYS A 75 -7.686 -5.806 5.605 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.070 -5.802 7.485 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.986 -7.158 7.239 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.324 -4.479 8.498 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.367 -6.045 9.283 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -6.108 -5.956 8.938 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.543 -6.611 7.371 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.704 -4.242 6.497 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.103 -3.677 8.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.378 -3.897 6.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.057 -4.837 7.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.639 -5.574 6.288 1.00 0.00 H new ATOM 1066 N LYS A 76 -10.240 -5.444 3.951 1.00 0.00 N ATOM 1067 CA LYS A 76 -11.096 -5.991 2.913 1.00 0.00 C ATOM 1068 C LYS A 76 -10.262 -6.612 1.815 1.00 0.00 C ATOM 1069 O LYS A 76 -10.492 -7.738 1.401 1.00 0.00 O ATOM 1070 CB LYS A 76 -11.991 -4.932 2.305 1.00 0.00 C ATOM 1071 CG LYS A 76 -13.014 -4.356 3.258 1.00 0.00 C ATOM 1072 CD LYS A 76 -13.970 -3.464 2.502 1.00 0.00 C ATOM 1073 CE LYS A 76 -14.764 -2.539 3.406 1.00 0.00 C ATOM 1074 NZ LYS A 76 -15.606 -3.275 4.387 1.00 0.00 N ATOM 0 H LYS A 76 -10.152 -4.428 3.940 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.722 -6.749 3.383 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.368 -4.121 1.926 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.511 -5.361 1.449 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.563 -5.161 3.747 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.515 -3.788 4.043 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -13.409 -2.866 1.784 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -14.661 -4.084 1.930 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -14.077 -1.885 3.943 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -15.401 -1.900 2.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -16.126 -2.595 4.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -16.282 -3.880 3.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -14.999 -3.865 4.991 1.00 0.00 H new ATOM 1088 N ILE A 77 -9.299 -5.857 1.339 1.00 0.00 N ATOM 1089 CA ILE A 77 -8.402 -6.345 0.320 1.00 0.00 C ATOM 1090 C ILE A 77 -7.176 -6.942 0.978 1.00 0.00 C ATOM 1091 O ILE A 77 -6.442 -6.265 1.701 1.00 0.00 O ATOM 1092 CB ILE A 77 -7.986 -5.227 -0.660 1.00 0.00 C ATOM 1093 CG1 ILE A 77 -9.207 -4.678 -1.397 1.00 0.00 C ATOM 1094 CG2 ILE A 77 -6.959 -5.728 -1.659 1.00 0.00 C ATOM 1095 CD1 ILE A 77 -9.908 -5.707 -2.258 1.00 0.00 C ATOM 0 H ILE A 77 -9.117 -4.900 1.643 1.00 0.00 H new ATOM 0 HA ILE A 77 -8.924 -7.108 -0.258 1.00 0.00 H new ATOM 0 HB ILE A 77 -7.534 -4.425 -0.076 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -9.915 -4.284 -0.667 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -8.897 -3.842 -2.024 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.685 -4.919 -2.336 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -6.072 -6.072 -1.127 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.381 -6.553 -2.232 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -10.765 -5.247 -2.750 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -9.216 -6.084 -3.011 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -10.249 -6.533 -1.633 1.00 0.00 H new ATOM 1107 N ILE A 78 -6.988 -8.219 0.756 1.00 0.00 N ATOM 1108 CA ILE A 78 -5.878 -8.932 1.345 1.00 0.00 C ATOM 1109 C ILE A 78 -4.687 -8.902 0.404 1.00 0.00 C ATOM 1110 O ILE A 78 -4.692 -9.541 -0.648 1.00 0.00 O ATOM 1111 CB ILE A 78 -6.222 -10.403 1.684 1.00 0.00 C ATOM 1112 CG1 ILE A 78 -7.374 -10.499 2.693 1.00 0.00 C ATOM 1113 CG2 ILE A 78 -4.993 -11.113 2.227 1.00 0.00 C ATOM 1114 CD1 ILE A 78 -8.736 -10.232 2.098 1.00 0.00 C ATOM 0 H ILE A 78 -7.593 -8.791 0.167 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.640 -8.426 2.281 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.546 -10.889 0.764 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -7.372 -11.494 3.138 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.196 -9.789 3.501 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.245 -12.147 2.463 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.201 -11.094 1.478 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.650 -10.608 3.130 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -9.496 -10.319 2.875 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -8.759 -9.226 1.679 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.938 -10.958 1.310 1.00 0.00 H new ATOM 1126 N CYS A 79 -3.683 -8.139 0.777 1.00 0.00 N ATOM 1127 CA CYS A 79 -2.469 -8.042 -0.001 1.00 0.00 C ATOM 1128 C CYS A 79 -1.374 -8.865 0.658 1.00 0.00 C ATOM 1129 O CYS A 79 -0.918 -8.552 1.757 1.00 0.00 O ATOM 1130 CB CYS A 79 -2.063 -6.578 -0.114 1.00 0.00 C ATOM 1131 SG CYS A 79 -3.453 -5.497 -0.547 1.00 0.00 S ATOM 0 H CYS A 79 -3.685 -7.571 1.624 1.00 0.00 H new ATOM 0 HA CYS A 79 -2.633 -8.436 -1.004 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.634 -6.250 0.833 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -1.282 -6.479 -0.868 1.00 0.00 H new ATOM 1136 N THR A 80 -0.977 -9.930 -0.006 1.00 0.00 N ATOM 1137 CA THR A 80 0.000 -10.849 0.543 1.00 0.00 C ATOM 1138 C THR A 80 1.301 -10.785 -0.239 1.00 0.00 C ATOM 1139 O THR A 80 1.368 -11.233 -1.380 1.00 0.00 O ATOM 1140 CB THR A 80 -0.535 -12.295 0.529 1.00 0.00 C ATOM 1141 OG1 THR A 80 -1.682 -12.400 1.381 1.00 0.00 O ATOM 1142 CG2 THR A 80 0.533 -13.278 0.983 1.00 0.00 C ATOM 0 H THR A 80 -1.318 -10.183 -0.933 1.00 0.00 H new ATOM 0 HA THR A 80 0.188 -10.550 1.574 1.00 0.00 H new ATOM 0 HB THR A 80 -0.817 -12.542 -0.494 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.018 -13.321 1.366 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.128 -14.290 0.963 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.391 -13.218 0.314 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.846 -13.032 1.998 1.00 0.00 H new ATOM 1150 N CYS A 81 2.338 -10.265 0.384 1.00 0.00 N ATOM 1151 CA CYS A 81 3.614 -10.147 -0.284 1.00 0.00 C ATOM 1152 C CYS A 81 4.308 -11.509 -0.227 1.00 0.00 C ATOM 1153 O CYS A 81 4.146 -12.258 0.740 1.00 0.00 O ATOM 1154 CB CYS A 81 4.465 -9.058 0.383 1.00 0.00 C ATOM 1155 SG CYS A 81 3.558 -7.523 0.792 1.00 0.00 S ATOM 0 H CYS A 81 2.322 -9.920 1.344 1.00 0.00 H new ATOM 0 HA CYS A 81 3.474 -9.855 -1.325 1.00 0.00 H new ATOM 0 HB2 CYS A 81 4.897 -9.463 1.298 1.00 0.00 H new ATOM 0 HB3 CYS A 81 5.295 -8.808 -0.278 1.00 0.00 H new ATOM 1160 N LYS A 82 5.040 -11.839 -1.281 1.00 0.00 N ATOM 1161 CA LYS A 82 5.543 -13.194 -1.477 1.00 0.00 C ATOM 1162 C LYS A 82 6.729 -13.531 -0.577 1.00 0.00 C ATOM 1163 O LYS A 82 7.174 -12.712 0.225 1.00 0.00 O ATOM 1164 CB LYS A 82 5.931 -13.408 -2.939 1.00 0.00 C ATOM 1165 CG LYS A 82 4.787 -13.208 -3.906 1.00 0.00 C ATOM 1166 CD LYS A 82 3.571 -14.011 -3.503 1.00 0.00 C ATOM 1167 CE LYS A 82 2.452 -13.823 -4.500 1.00 0.00 C ATOM 1168 NZ LYS A 82 2.681 -14.605 -5.742 1.00 0.00 N ATOM 0 H LYS A 82 5.301 -11.184 -2.018 1.00 0.00 H new ATOM 0 HA LYS A 82 4.731 -13.867 -1.201 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.737 -12.721 -3.196 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.323 -14.418 -3.058 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.527 -12.150 -3.949 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.101 -13.501 -4.908 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.832 -15.067 -3.437 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.237 -13.703 -2.512 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.508 -14.127 -4.048 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.360 -12.766 -4.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 1.883 -14.463 -6.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.560 -14.286 -6.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 2.760 -15.615 -5.507 1.00 0.00 H new ATOM 1182 N GLU A 83 7.246 -14.742 -0.736 1.00 0.00 N ATOM 1183 CA GLU A 83 8.359 -15.229 0.074 1.00 0.00 C ATOM 1184 C GLU A 83 9.619 -14.341 -0.003 1.00 0.00 C ATOM 1185 O GLU A 83 10.242 -14.094 1.030 1.00 0.00 O ATOM 1186 CB GLU A 83 8.697 -16.665 -0.315 1.00 0.00 C ATOM 1187 CG GLU A 83 7.526 -17.610 -0.155 1.00 0.00 C ATOM 1188 CD GLU A 83 7.901 -19.055 -0.393 1.00 0.00 C ATOM 1189 OE1 GLU A 83 7.853 -19.500 -1.558 1.00 0.00 O ATOM 1190 OE2 GLU A 83 8.240 -19.758 0.583 1.00 0.00 O ATOM 0 H GLU A 83 6.909 -15.413 -1.426 1.00 0.00 H new ATOM 0 HA GLU A 83 8.026 -15.190 1.111 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.035 -16.685 -1.351 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.527 -17.016 0.298 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.117 -17.507 0.850 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.737 -17.325 -0.851 1.00 0.00 H new ATOM 1197 N PRO A 84 10.027 -13.824 -1.195 1.00 0.00 N ATOM 1198 CA PRO A 84 11.232 -13.009 -1.302 1.00 0.00 C ATOM 1199 C PRO A 84 10.950 -11.569 -0.930 1.00 0.00 C ATOM 1200 O PRO A 84 11.732 -10.661 -1.206 1.00 0.00 O ATOM 1201 CB PRO A 84 11.590 -13.100 -2.770 1.00 0.00 C ATOM 1202 CG PRO A 84 10.278 -13.225 -3.460 1.00 0.00 C ATOM 1203 CD PRO A 84 9.362 -13.952 -2.507 1.00 0.00 C ATOM 0 HA PRO A 84 12.026 -13.349 -0.637 1.00 0.00 H new ATOM 0 HB2 PRO A 84 12.132 -12.215 -3.103 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.229 -13.960 -2.971 1.00 0.00 H new ATOM 0 HG2 PRO A 84 9.877 -12.243 -3.711 1.00 0.00 H new ATOM 0 HG3 PRO A 84 10.382 -13.776 -4.395 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.367 -13.507 -2.494 1.00 0.00 H new ATOM 0 HD3 PRO A 84 9.240 -14.997 -2.791 1.00 0.00 H new ATOM 1211 N THR A 85 9.792 -11.370 -0.341 1.00 0.00 N ATOM 1212 CA THR A 85 9.382 -10.082 0.142 1.00 0.00 C ATOM 1213 C THR A 85 8.914 -10.254 1.586 1.00 0.00 C ATOM 1214 O THR A 85 7.727 -10.227 1.889 1.00 0.00 O ATOM 1215 CB THR A 85 8.270 -9.490 -0.763 1.00 0.00 C ATOM 1216 OG1 THR A 85 7.014 -10.108 -0.511 1.00 0.00 O ATOM 1217 CG2 THR A 85 8.598 -9.705 -2.235 1.00 0.00 C ATOM 0 H THR A 85 9.106 -12.109 -0.185 1.00 0.00 H new ATOM 0 HA THR A 85 10.212 -9.375 0.114 1.00 0.00 H new ATOM 0 HB THR A 85 8.215 -8.426 -0.534 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.959 -10.363 0.434 1.00 0.00 H new ATOM 0 HG21 THR A 85 7.804 -9.282 -2.850 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.542 -9.215 -2.473 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.683 -10.773 -2.437 1.00 0.00 H new ATOM 1225 N PRO A 86 9.871 -10.454 2.507 1.00 0.00 N ATOM 1226 CA PRO A 86 9.587 -10.813 3.907 1.00 0.00 C ATOM 1227 C PRO A 86 8.848 -9.719 4.663 1.00 0.00 C ATOM 1228 O PRO A 86 8.546 -9.859 5.848 1.00 0.00 O ATOM 1229 CB PRO A 86 10.985 -11.012 4.510 1.00 0.00 C ATOM 1230 CG PRO A 86 11.898 -11.185 3.352 1.00 0.00 C ATOM 1231 CD PRO A 86 11.318 -10.348 2.261 1.00 0.00 C ATOM 0 HA PRO A 86 8.939 -11.687 3.971 1.00 0.00 H new ATOM 0 HB2 PRO A 86 11.277 -10.153 5.115 1.00 0.00 H new ATOM 0 HB3 PRO A 86 11.010 -11.885 5.163 1.00 0.00 H new ATOM 0 HG2 PRO A 86 12.910 -10.863 3.598 1.00 0.00 H new ATOM 0 HG3 PRO A 86 11.960 -12.232 3.054 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.663 -9.316 2.315 1.00 0.00 H new ATOM 0 HD3 PRO A 86 11.590 -10.724 1.274 1.00 0.00 H new ATOM 1239 N ASN A 87 8.561 -8.633 3.969 1.00 0.00 N ATOM 1240 CA ASN A 87 7.983 -7.454 4.569 1.00 0.00 C ATOM 1241 C ASN A 87 7.047 -6.797 3.578 1.00 0.00 C ATOM 1242 O ASN A 87 6.905 -7.266 2.449 1.00 0.00 O ATOM 1243 CB ASN A 87 9.081 -6.466 4.930 1.00 0.00 C ATOM 1244 CG ASN A 87 10.245 -7.108 5.641 1.00 0.00 C ATOM 1245 OD1 ASN A 87 11.251 -7.451 4.862 1.00 0.00 O flip ATOM 1246 ND2 ASN A 87 10.245 -7.279 6.857 1.00 0.00 N flip ATOM 0 H ASN A 87 8.725 -8.548 2.966 1.00 0.00 H new ATOM 0 HA ASN A 87 7.439 -7.743 5.468 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.440 -5.983 4.021 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.663 -5.683 5.563 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.438 -6.994 7.412 1.00 0.00 H new ATOM 0 HD22 ASN A 87 11.052 -7.706 7.312 1.00 0.00 H new ATOM 1253 N ALA A 88 6.456 -5.691 3.977 1.00 0.00 N ATOM 1254 CA ALA A 88 5.560 -4.961 3.112 1.00 0.00 C ATOM 1255 C ALA A 88 5.747 -3.468 3.300 1.00 0.00 C ATOM 1256 O ALA A 88 6.122 -3.015 4.381 1.00 0.00 O ATOM 1257 CB ALA A 88 4.119 -5.350 3.399 1.00 0.00 C ATOM 0 H ALA A 88 6.582 -5.277 4.901 1.00 0.00 H new ATOM 0 HA ALA A 88 5.792 -5.214 2.077 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.453 -4.792 2.740 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.989 -6.418 3.226 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.879 -5.119 4.437 1.00 0.00 H new ATOM 1263 N TYR A 89 5.522 -2.717 2.238 1.00 0.00 N ATOM 1264 CA TYR A 89 5.455 -1.275 2.339 1.00 0.00 C ATOM 1265 C TYR A 89 4.068 -0.952 2.899 1.00 0.00 C ATOM 1266 O TYR A 89 3.062 -1.047 2.188 1.00 0.00 O ATOM 1267 CB TYR A 89 5.662 -0.598 0.964 1.00 0.00 C ATOM 1268 CG TYR A 89 6.827 -1.102 0.128 1.00 0.00 C ATOM 1269 CD1 TYR A 89 7.909 -1.775 0.678 1.00 0.00 C ATOM 1270 CD2 TYR A 89 6.841 -0.859 -1.236 1.00 0.00 C ATOM 1271 CE1 TYR A 89 8.961 -2.184 -0.117 1.00 0.00 C ATOM 1272 CE2 TYR A 89 7.874 -1.271 -2.035 1.00 0.00 C ATOM 1273 CZ TYR A 89 8.936 -1.927 -1.478 1.00 0.00 C ATOM 1274 OH TYR A 89 9.986 -2.308 -2.276 1.00 0.00 O ATOM 0 H TYR A 89 5.383 -3.084 1.296 1.00 0.00 H new ATOM 0 HA TYR A 89 6.247 -0.896 2.985 1.00 0.00 H new ATOM 0 HB2 TYR A 89 4.748 -0.719 0.383 1.00 0.00 H new ATOM 0 HB3 TYR A 89 5.797 0.471 1.127 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.928 -1.981 1.738 1.00 0.00 H new ATOM 0 HD2 TYR A 89 6.013 -0.329 -1.682 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.801 -2.703 0.321 1.00 0.00 H new ATOM 0 HE2 TYR A 89 7.850 -1.079 -3.098 1.00 0.00 H new ATOM 0 HH TYR A 89 9.802 -2.050 -3.204 1.00 0.00 H new ATOM 1284 N TYR A 90 4.027 -0.621 4.183 1.00 0.00 N ATOM 1285 CA TYR A 90 2.779 -0.496 4.938 1.00 0.00 C ATOM 1286 C TYR A 90 2.102 -1.863 5.088 1.00 0.00 C ATOM 1287 O TYR A 90 2.753 -2.830 5.471 1.00 0.00 O ATOM 1288 CB TYR A 90 1.821 0.540 4.326 1.00 0.00 C ATOM 1289 CG TYR A 90 1.323 1.534 5.351 1.00 0.00 C ATOM 1290 CD1 TYR A 90 0.587 1.111 6.449 1.00 0.00 C ATOM 1291 CD2 TYR A 90 1.613 2.885 5.237 1.00 0.00 C ATOM 1292 CE1 TYR A 90 0.150 2.007 7.402 1.00 0.00 C ATOM 1293 CE2 TYR A 90 1.184 3.786 6.187 1.00 0.00 C ATOM 1294 CZ TYR A 90 0.450 3.344 7.269 1.00 0.00 C ATOM 1295 OH TYR A 90 0.023 4.237 8.224 1.00 0.00 O ATOM 0 H TYR A 90 4.862 -0.430 4.737 1.00 0.00 H new ATOM 0 HA TYR A 90 3.037 -0.127 5.931 1.00 0.00 H new ATOM 0 HB2 TYR A 90 2.330 1.073 3.523 1.00 0.00 H new ATOM 0 HB3 TYR A 90 0.971 0.026 3.878 1.00 0.00 H new ATOM 0 HD1 TYR A 90 0.353 0.063 6.559 1.00 0.00 H new ATOM 0 HD2 TYR A 90 2.184 3.237 4.390 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -0.425 1.661 8.249 1.00 0.00 H new ATOM 0 HE2 TYR A 90 1.421 4.835 6.085 1.00 0.00 H new ATOM 0 HH TYR A 90 0.318 5.140 7.983 1.00 0.00 H new ATOM 1305 N GLU A 91 0.813 -1.956 4.780 1.00 0.00 N ATOM 1306 CA GLU A 91 0.062 -3.193 5.028 1.00 0.00 C ATOM 1307 C GLU A 91 0.091 -4.136 3.826 1.00 0.00 C ATOM 1308 O GLU A 91 -0.682 -5.093 3.763 1.00 0.00 O ATOM 1309 CB GLU A 91 -1.396 -2.890 5.368 1.00 0.00 C ATOM 1310 CG GLU A 91 -1.590 -1.685 6.264 1.00 0.00 C ATOM 1311 CD GLU A 91 -2.902 -1.734 7.017 1.00 0.00 C ATOM 1312 OE1 GLU A 91 -3.900 -2.220 6.447 1.00 0.00 O ATOM 1313 OE2 GLU A 91 -2.931 -1.313 8.189 1.00 0.00 O ATOM 0 H GLU A 91 0.267 -1.202 4.363 1.00 0.00 H new ATOM 0 HA GLU A 91 0.550 -3.681 5.872 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.947 -2.731 4.441 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.833 -3.763 5.853 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.767 -1.628 6.976 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -1.553 -0.777 5.662 1.00 0.00 H new ATOM 1320 N GLY A 92 0.969 -3.871 2.875 1.00 0.00 N ATOM 1321 CA GLY A 92 0.987 -4.668 1.664 1.00 0.00 C ATOM 1322 C GLY A 92 0.472 -3.881 0.485 1.00 0.00 C ATOM 1323 O GLY A 92 0.299 -4.420 -0.608 1.00 0.00 O ATOM 0 H GLY A 92 1.665 -3.126 2.916 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.004 -5.006 1.463 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.377 -5.560 1.804 1.00 0.00 H new ATOM 1327 N VAL A 93 0.217 -2.594 0.725 1.00 0.00 N ATOM 1328 CA VAL A 93 -0.150 -1.671 -0.330 1.00 0.00 C ATOM 1329 C VAL A 93 0.937 -1.684 -1.400 1.00 0.00 C ATOM 1330 O VAL A 93 0.686 -1.463 -2.586 1.00 0.00 O ATOM 1331 CB VAL A 93 -0.334 -0.233 0.226 1.00 0.00 C ATOM 1332 CG1 VAL A 93 -0.877 0.683 -0.842 1.00 0.00 C ATOM 1333 CG2 VAL A 93 -1.244 -0.219 1.450 1.00 0.00 C ATOM 0 H VAL A 93 0.261 -2.172 1.653 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.100 -1.986 -0.761 1.00 0.00 H new ATOM 0 HB VAL A 93 0.647 0.129 0.535 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.999 1.686 -0.433 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.182 0.715 -1.681 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.843 0.311 -1.184 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.350 0.803 1.813 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.224 -0.612 1.179 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.809 -0.839 2.234 1.00 0.00 H new ATOM 1343 N PHE A 94 2.156 -1.941 -0.945 1.00 0.00 N ATOM 1344 CA PHE A 94 3.290 -2.173 -1.809 1.00 0.00 C ATOM 1345 C PHE A 94 4.256 -3.143 -1.107 1.00 0.00 C ATOM 1346 O PHE A 94 4.196 -3.279 0.107 1.00 0.00 O ATOM 1347 CB PHE A 94 4.010 -0.866 -2.258 1.00 0.00 C ATOM 1348 CG PHE A 94 3.766 0.461 -1.517 1.00 0.00 C ATOM 1349 CD1 PHE A 94 2.884 0.611 -0.451 1.00 0.00 C ATOM 1350 CD2 PHE A 94 4.457 1.589 -1.939 1.00 0.00 C ATOM 1351 CE1 PHE A 94 2.701 1.835 0.166 1.00 0.00 C ATOM 1352 CE2 PHE A 94 4.274 2.814 -1.325 1.00 0.00 C ATOM 1353 CZ PHE A 94 3.396 2.937 -0.272 1.00 0.00 C ATOM 0 H PHE A 94 2.381 -1.993 0.049 1.00 0.00 H new ATOM 0 HA PHE A 94 2.922 -2.618 -2.734 1.00 0.00 H new ATOM 0 HB2 PHE A 94 5.082 -1.061 -2.221 1.00 0.00 H new ATOM 0 HB3 PHE A 94 3.752 -0.701 -3.304 1.00 0.00 H new ATOM 0 HD1 PHE A 94 2.331 -0.247 -0.098 1.00 0.00 H new ATOM 0 HD2 PHE A 94 5.151 1.508 -2.763 1.00 0.00 H new ATOM 0 HE1 PHE A 94 2.012 1.925 0.992 1.00 0.00 H new ATOM 0 HE2 PHE A 94 4.822 3.677 -1.673 1.00 0.00 H new ATOM 0 HZ PHE A 94 3.254 3.894 0.207 1.00 0.00 H new ATOM 1363 N CYS A 95 5.116 -3.845 -1.857 1.00 0.00 N ATOM 1364 CA CYS A 95 6.067 -4.806 -1.253 1.00 0.00 C ATOM 1365 C CYS A 95 7.396 -4.807 -2.031 1.00 0.00 C ATOM 1366 O CYS A 95 7.439 -4.374 -3.182 1.00 0.00 O ATOM 1367 CB CYS A 95 5.490 -6.237 -1.232 1.00 0.00 C ATOM 1368 SG CYS A 95 3.704 -6.345 -0.864 1.00 0.00 S ATOM 0 H CYS A 95 5.178 -3.772 -2.872 1.00 0.00 H new ATOM 0 HA CYS A 95 6.242 -4.487 -0.225 1.00 0.00 H new ATOM 0 HB2 CYS A 95 5.675 -6.701 -2.201 1.00 0.00 H new ATOM 0 HB3 CYS A 95 6.034 -6.821 -0.490 1.00 0.00 H new ATOM 1373 N SER A 96 8.480 -5.289 -1.398 1.00 0.00 N ATOM 1374 CA SER A 96 9.810 -5.290 -2.032 1.00 0.00 C ATOM 1375 C SER A 96 10.258 -6.686 -2.404 1.00 0.00 C ATOM 1376 O SER A 96 10.429 -7.534 -1.532 1.00 0.00 O ATOM 1377 CB SER A 96 10.872 -4.702 -1.096 1.00 0.00 C ATOM 1378 OG SER A 96 12.178 -4.786 -1.653 1.00 0.00 O ATOM 0 H SER A 96 8.462 -5.680 -0.456 1.00 0.00 H new ATOM 0 HA SER A 96 9.712 -4.681 -2.931 1.00 0.00 H new ATOM 0 HB2 SER A 96 10.633 -3.659 -0.887 1.00 0.00 H new ATOM 0 HB3 SER A 96 10.849 -5.232 -0.144 1.00 0.00 H new ATOM 0 HG SER A 96 12.826 -4.400 -1.027 1.00 0.00 H new ATOM 1384 N SER A 97 10.515 -6.890 -3.684 1.00 0.00 N ATOM 1385 CA SER A 97 11.049 -8.149 -4.162 1.00 0.00 C ATOM 1386 C SER A 97 12.531 -7.977 -4.448 1.00 0.00 C ATOM 1387 O SER A 97 13.077 -8.499 -5.420 1.00 0.00 O ATOM 1388 CB SER A 97 10.296 -8.591 -5.403 1.00 0.00 C ATOM 1389 OG SER A 97 10.391 -9.992 -5.608 1.00 0.00 O ATOM 0 H SER A 97 10.361 -6.194 -4.413 1.00 0.00 H new ATOM 0 HA SER A 97 10.925 -8.923 -3.405 1.00 0.00 H new ATOM 0 HB2 SER A 97 9.247 -8.308 -5.312 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.693 -8.069 -6.274 1.00 0.00 H new ATOM 0 HG SER A 97 9.893 -10.239 -6.415 1.00 0.00 H new ATOM 1395 N SER A 98 13.147 -7.196 -3.595 1.00 0.00 N ATOM 1396 CA SER A 98 14.577 -6.951 -3.646 1.00 0.00 C ATOM 1397 C SER A 98 15.157 -7.051 -2.239 1.00 0.00 C ATOM 1398 O SER A 98 15.963 -6.216 -1.825 1.00 0.00 O ATOM 1399 CB SER A 98 14.847 -5.564 -4.241 1.00 0.00 C ATOM 1400 OG SER A 98 16.230 -5.363 -4.495 1.00 0.00 O ATOM 0 H SER A 98 12.671 -6.706 -2.838 1.00 0.00 H new ATOM 0 HA SER A 98 15.054 -7.698 -4.280 1.00 0.00 H new ATOM 0 HB2 SER A 98 14.286 -5.450 -5.169 1.00 0.00 H new ATOM 0 HB3 SER A 98 14.487 -4.797 -3.555 1.00 0.00 H new ATOM 0 HG SER A 98 16.741 -5.536 -3.677 1.00 0.00 H new ATOM 1406 N SER A 99 14.737 -8.073 -1.508 1.00 0.00 N ATOM 1407 CA SER A 99 15.153 -8.239 -0.126 1.00 0.00 C ATOM 1408 C SER A 99 16.411 -9.102 -0.052 1.00 0.00 C ATOM 1409 O SER A 99 17.444 -8.602 0.441 1.00 0.00 O ATOM 1410 CB SER A 99 14.014 -8.838 0.717 1.00 0.00 C ATOM 1411 OG SER A 99 13.702 -10.162 0.330 1.00 0.00 O ATOM 1412 OXT SER A 99 16.374 -10.257 -0.530 1.00 0.00 O ATOM 0 H SER A 99 14.108 -8.799 -1.850 1.00 0.00 H new ATOM 0 HA SER A 99 15.390 -7.259 0.288 1.00 0.00 H new ATOM 0 HB2 SER A 99 14.298 -8.826 1.769 1.00 0.00 H new ATOM 0 HB3 SER A 99 13.126 -8.214 0.620 1.00 0.00 H new ATOM 0 HG SER A 99 13.135 -10.144 -0.469 1.00 0.00 H new