USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 487 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 139 HIS : no HD1:sc= -0.19 K(o=-3.3,f=-1.5) USER MOD Set 1.2: A 141 ASN : amide:sc= -3.11! K(o=-3.3!,f=-1.5) USER MOD Single : A 136 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot 180:sc= 0.0301 USER MOD Single : A 145 GLN : amide:sc= -8.69! C(o=-8.7!,f=-8.9!) USER MOD Single : A 147 ASN : amide:sc= 0.432 K(o=0.43,f=-0.71) USER MOD Single : A 149 TYR OH : rot -102:sc= 0.0277 USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 151 HIS : no HD1:sc= -8.68! C(o=-8.7!,f=-8.7!) USER MOD Single : A 153 LYS NZ :NH3+ 159:sc= -0.0362 (180deg=-0.337) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 159 GLN : amide:sc= -0.0971 X(o=-0.097,f=-0.072) USER MOD Single : A 161 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 THR OG1 : rot 180:sc= 0 USER MOD Single : A 163 LYS NZ :NH3+ 156:sc= -0.0164 (180deg=-0.27) USER MOD Single : A 164 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 SER OG : rot 180:sc= 0 USER MOD Single : A 166 LYS NZ :NH3+ 164:sc=-0.00737 (180deg=-0.169) USER MOD Single : A 168 ASN : amide:sc= -0.128 X(o=-0.13,f=0) USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 171 MET CE :methyl 162:sc= -0.794 (180deg=-1.58!) USER MOD Single : A 175 SER OG : rot 180:sc= 0 USER MOD Single : A 186 MET CE :methyl -173:sc=-0.00622 (180deg=-0.0715) USER MOD Single : A 188 THR OG1 : rot -154:sc= -0.577 USER MOD Single : A 197 ASN : amide:sc= -0.0736 K(o=-0.074,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 133 20.498 -1.407 4.436 1.00 0.00 N ATOM 2 CA GLU A 133 19.524 -0.813 3.480 1.00 0.00 C ATOM 3 C GLU A 133 18.683 -1.924 2.857 1.00 0.00 C ATOM 4 O GLU A 133 19.216 -2.926 2.379 1.00 0.00 O ATOM 5 CB GLU A 133 20.280 -0.057 2.385 1.00 0.00 C ATOM 6 CG GLU A 133 21.131 1.045 3.021 1.00 0.00 C ATOM 7 CD GLU A 133 20.229 2.121 3.614 1.00 0.00 C ATOM 8 OE1 GLU A 133 19.612 2.841 2.844 1.00 0.00 O ATOM 9 OE2 GLU A 133 20.166 2.213 4.829 1.00 0.00 O ATOM 0 HA GLU A 133 18.869 -0.119 4.008 1.00 0.00 H new ATOM 0 HB2 GLU A 133 20.915 -0.744 1.825 1.00 0.00 H new ATOM 0 HB3 GLU A 133 19.576 0.377 1.675 1.00 0.00 H new ATOM 0 HG2 GLU A 133 21.767 0.622 3.799 1.00 0.00 H new ATOM 0 HG3 GLU A 133 21.791 1.484 2.273 1.00 0.00 H new ATOM 18 N ALA A 134 17.367 -1.740 2.868 1.00 0.00 N ATOM 19 CA ALA A 134 16.461 -2.733 2.303 1.00 0.00 C ATOM 20 C ALA A 134 15.038 -2.187 2.246 1.00 0.00 C ATOM 21 O ALA A 134 14.735 -1.154 2.842 1.00 0.00 O ATOM 22 CB ALA A 134 16.489 -4.006 3.149 1.00 0.00 C ATOM 0 H ALA A 134 16.906 -0.918 3.259 1.00 0.00 H new ATOM 0 HA ALA A 134 16.790 -2.964 1.290 1.00 0.00 H new ATOM 0 HB1 ALA A 134 15.810 -4.743 2.720 1.00 0.00 H new ATOM 0 HB2 ALA A 134 17.501 -4.411 3.164 1.00 0.00 H new ATOM 0 HB3 ALA A 134 16.176 -3.773 4.167 1.00 0.00 H new ATOM 28 N CYS A 135 14.169 -2.886 1.524 1.00 0.00 N ATOM 29 CA CYS A 135 12.781 -2.461 1.397 1.00 0.00 C ATOM 30 C CYS A 135 12.094 -2.463 2.759 1.00 0.00 C ATOM 31 O CYS A 135 12.488 -3.202 3.662 1.00 0.00 O ATOM 32 CB CYS A 135 12.038 -3.386 0.429 1.00 0.00 C ATOM 33 SG CYS A 135 12.647 -3.095 -1.254 1.00 0.00 S ATOM 0 H CYS A 135 14.399 -3.743 1.021 1.00 0.00 H new ATOM 0 HA CYS A 135 12.762 -1.445 1.003 1.00 0.00 H new ATOM 0 HB2 CYS A 135 12.193 -4.428 0.710 1.00 0.00 H new ATOM 0 HB3 CYS A 135 10.965 -3.199 0.478 1.00 0.00 H new ATOM 38 N GLN A 136 11.069 -1.622 2.905 1.00 0.00 N ATOM 39 CA GLN A 136 10.327 -1.516 4.165 1.00 0.00 C ATOM 40 C GLN A 136 8.857 -1.838 3.942 1.00 0.00 C ATOM 41 O GLN A 136 8.349 -1.714 2.828 1.00 0.00 O ATOM 42 CB GLN A 136 10.459 -0.099 4.726 1.00 0.00 C ATOM 43 CG GLN A 136 11.913 0.160 5.124 1.00 0.00 C ATOM 44 CD GLN A 136 12.069 1.588 5.633 1.00 0.00 C ATOM 45 OE1 GLN A 136 11.366 2.000 6.555 1.00 0.00 O ATOM 46 NE2 GLN A 136 12.954 2.374 5.083 1.00 0.00 N ATOM 0 H GLN A 136 10.733 -1.004 2.167 1.00 0.00 H new ATOM 0 HA GLN A 136 10.743 -2.230 4.876 1.00 0.00 H new ATOM 0 HB2 GLN A 136 10.140 0.630 3.981 1.00 0.00 H new ATOM 0 HB3 GLN A 136 9.807 0.023 5.591 1.00 0.00 H new ATOM 0 HG2 GLN A 136 12.218 -0.545 5.897 1.00 0.00 H new ATOM 0 HG3 GLN A 136 12.567 -0.003 4.268 1.00 0.00 H new ATOM 0 HE21 GLN A 136 13.536 2.031 4.319 1.00 0.00 H new ATOM 0 HE22 GLN A 136 13.064 3.331 5.417 1.00 0.00 H new ATOM 55 N PHE A 137 8.174 -2.259 5.006 1.00 0.00 N ATOM 56 CA PHE A 137 6.753 -2.607 4.919 1.00 0.00 C ATOM 57 C PHE A 137 5.900 -1.581 5.665 1.00 0.00 C ATOM 58 O PHE A 137 6.251 -1.142 6.760 1.00 0.00 O ATOM 59 CB PHE A 137 6.533 -4.005 5.515 1.00 0.00 C ATOM 60 CG PHE A 137 5.049 -4.293 5.644 1.00 0.00 C ATOM 61 CD1 PHE A 137 4.221 -4.218 4.517 1.00 0.00 C ATOM 62 CD2 PHE A 137 4.503 -4.632 6.890 1.00 0.00 C ATOM 63 CE1 PHE A 137 2.855 -4.481 4.634 1.00 0.00 C ATOM 64 CE2 PHE A 137 3.133 -4.895 7.006 1.00 0.00 C ATOM 65 CZ PHE A 137 2.309 -4.820 5.878 1.00 0.00 C ATOM 0 H PHE A 137 8.578 -2.368 5.936 1.00 0.00 H new ATOM 0 HA PHE A 137 6.452 -2.605 3.871 1.00 0.00 H new ATOM 0 HB2 PHE A 137 7.003 -4.757 4.881 1.00 0.00 H new ATOM 0 HB3 PHE A 137 7.010 -4.070 6.493 1.00 0.00 H new ATOM 0 HD1 PHE A 137 4.640 -3.956 3.556 1.00 0.00 H new ATOM 0 HD2 PHE A 137 5.140 -4.690 7.761 1.00 0.00 H new ATOM 0 HE1 PHE A 137 2.218 -4.423 3.764 1.00 0.00 H new ATOM 0 HE2 PHE A 137 2.712 -5.156 7.966 1.00 0.00 H new ATOM 0 HZ PHE A 137 1.252 -5.024 5.967 1.00 0.00 H new ATOM 75 N SER A 138 4.774 -1.206 5.057 1.00 0.00 N ATOM 76 CA SER A 138 3.863 -0.233 5.658 1.00 0.00 C ATOM 77 C SER A 138 2.421 -0.531 5.251 1.00 0.00 C ATOM 78 O SER A 138 2.140 -0.807 4.085 1.00 0.00 O ATOM 79 CB SER A 138 4.242 1.177 5.208 1.00 0.00 C ATOM 80 OG SER A 138 3.630 2.126 6.072 1.00 0.00 O ATOM 0 H SER A 138 4.472 -1.561 4.150 1.00 0.00 H new ATOM 0 HA SER A 138 3.944 -0.303 6.743 1.00 0.00 H new ATOM 0 HB2 SER A 138 5.325 1.298 5.225 1.00 0.00 H new ATOM 0 HB3 SER A 138 3.919 1.342 4.180 1.00 0.00 H new ATOM 0 HG SER A 138 3.872 3.032 5.787 1.00 0.00 H new ATOM 86 N HIS A 139 1.509 -0.478 6.224 1.00 0.00 N ATOM 87 CA HIS A 139 0.089 -0.749 5.967 1.00 0.00 C ATOM 88 C HIS A 139 -0.795 0.316 6.610 1.00 0.00 C ATOM 89 O HIS A 139 -0.369 1.033 7.516 1.00 0.00 O ATOM 90 CB HIS A 139 -0.293 -2.123 6.520 1.00 0.00 C ATOM 91 CG HIS A 139 -0.184 -2.111 8.020 1.00 0.00 C ATOM 92 ND1 HIS A 139 0.985 -2.455 8.679 1.00 0.00 N ATOM 93 CD2 HIS A 139 -1.090 -1.798 9.000 1.00 0.00 C ATOM 94 CE1 HIS A 139 0.754 -2.341 10.000 1.00 0.00 C ATOM 95 NE2 HIS A 139 -0.497 -1.944 10.251 1.00 0.00 N ATOM 0 H HIS A 139 1.725 -0.251 7.195 1.00 0.00 H new ATOM 0 HA HIS A 139 -0.067 -0.731 4.888 1.00 0.00 H new ATOM 0 HB2 HIS A 139 -1.310 -2.377 6.221 1.00 0.00 H new ATOM 0 HB3 HIS A 139 0.362 -2.889 6.104 1.00 0.00 H new ATOM 0 HD2 HIS A 139 -2.109 -1.486 8.828 1.00 0.00 H new ATOM 0 HE1 HIS A 139 1.490 -2.545 10.764 1.00 0.00 H new ATOM 0 HE2 HIS A 139 -0.925 -1.783 11.163 1.00 0.00 H new ATOM 104 N VAL A 140 -2.033 0.412 6.125 1.00 0.00 N ATOM 105 CA VAL A 140 -2.998 1.389 6.637 1.00 0.00 C ATOM 106 C VAL A 140 -4.364 0.724 6.817 1.00 0.00 C ATOM 107 O VAL A 140 -4.980 0.295 5.845 1.00 0.00 O ATOM 108 CB VAL A 140 -3.102 2.560 5.648 1.00 0.00 C ATOM 109 CG1 VAL A 140 -4.292 3.456 6.004 1.00 0.00 C ATOM 110 CG2 VAL A 140 -1.817 3.389 5.709 1.00 0.00 C ATOM 0 H VAL A 140 -2.394 -0.177 5.375 1.00 0.00 H new ATOM 0 HA VAL A 140 -2.664 1.764 7.605 1.00 0.00 H new ATOM 0 HB VAL A 140 -3.245 2.161 4.644 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -4.352 4.281 5.294 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -5.212 2.873 5.961 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -4.160 3.853 7.011 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -1.887 4.221 5.008 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -1.681 3.776 6.719 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -0.966 2.762 5.443 1.00 0.00 H new ATOM 120 N ASN A 141 -4.829 0.631 8.065 1.00 0.00 N ATOM 121 CA ASN A 141 -6.122 -0.002 8.345 1.00 0.00 C ATOM 122 C ASN A 141 -6.792 0.609 9.578 1.00 0.00 C ATOM 123 O ASN A 141 -6.212 0.633 10.663 1.00 0.00 O ATOM 124 CB ASN A 141 -5.919 -1.506 8.567 1.00 0.00 C ATOM 125 CG ASN A 141 -5.274 -1.768 9.927 1.00 0.00 C ATOM 126 OD1 ASN A 141 -4.068 -1.992 10.010 1.00 0.00 O ATOM 127 ND2 ASN A 141 -6.014 -1.751 11.000 1.00 0.00 N ATOM 0 H ASN A 141 -4.338 0.980 8.888 1.00 0.00 H new ATOM 0 HA ASN A 141 -6.773 0.167 7.487 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -6.878 -2.020 8.509 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -5.290 -1.914 7.776 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -5.593 -1.924 11.913 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -7.014 -1.565 10.927 1.00 0.00 H new ATOM 134 N SER A 142 -8.033 1.079 9.410 1.00 0.00 N ATOM 135 CA SER A 142 -8.795 1.661 10.522 1.00 0.00 C ATOM 136 C SER A 142 -10.252 1.210 10.446 1.00 0.00 C ATOM 137 O SER A 142 -10.634 0.463 9.546 1.00 0.00 O ATOM 138 CB SER A 142 -8.717 3.192 10.500 1.00 0.00 C ATOM 139 OG SER A 142 -8.984 3.690 11.804 1.00 0.00 O ATOM 0 H SER A 142 -8.530 1.068 8.519 1.00 0.00 H new ATOM 0 HA SER A 142 -8.358 1.312 11.457 1.00 0.00 H new ATOM 0 HB2 SER A 142 -7.729 3.513 10.170 1.00 0.00 H new ATOM 0 HB3 SER A 142 -9.438 3.595 9.789 1.00 0.00 H new ATOM 0 HG SER A 142 -8.934 4.669 11.797 1.00 0.00 H new ATOM 145 N ARG A 143 -11.059 1.661 11.400 1.00 0.00 N ATOM 146 CA ARG A 143 -12.469 1.291 11.433 1.00 0.00 C ATOM 147 C ARG A 143 -13.260 2.012 10.338 1.00 0.00 C ATOM 148 O ARG A 143 -14.165 1.436 9.737 1.00 0.00 O ATOM 149 CB ARG A 143 -13.065 1.631 12.804 1.00 0.00 C ATOM 150 CG ARG A 143 -12.606 0.599 13.842 1.00 0.00 C ATOM 151 CD ARG A 143 -11.076 0.524 13.864 1.00 0.00 C ATOM 152 NE ARG A 143 -10.620 -0.087 15.107 1.00 0.00 N ATOM 153 CZ ARG A 143 -10.704 0.563 16.263 1.00 0.00 C ATOM 154 NH1 ARG A 143 -11.200 1.769 16.300 1.00 0.00 N ATOM 155 NH2 ARG A 143 -10.290 -0.006 17.363 1.00 0.00 N ATOM 0 H ARG A 143 -10.764 2.279 12.156 1.00 0.00 H new ATOM 0 HA ARG A 143 -12.539 0.218 11.256 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -12.753 2.630 13.109 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -14.153 1.641 12.745 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -12.979 0.873 14.829 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -13.023 -0.379 13.603 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -10.721 -0.057 13.013 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -10.654 1.524 13.766 1.00 0.00 H new ATOM 0 HE ARG A 143 -10.230 -1.029 15.089 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -11.524 2.214 15.441 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -11.264 2.267 17.188 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -9.902 -0.949 17.335 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -10.354 0.493 18.251 1.00 0.00 H new ATOM 169 N ASP A 144 -12.925 3.279 10.097 1.00 0.00 N ATOM 170 CA ASP A 144 -13.626 4.075 9.086 1.00 0.00 C ATOM 171 C ASP A 144 -12.928 4.004 7.729 1.00 0.00 C ATOM 172 O ASP A 144 -13.552 4.223 6.692 1.00 0.00 O ATOM 173 CB ASP A 144 -13.696 5.534 9.540 1.00 0.00 C ATOM 174 CG ASP A 144 -14.540 6.344 8.562 1.00 0.00 C ATOM 175 OD1 ASP A 144 -14.003 6.754 7.544 1.00 0.00 O ATOM 176 OD2 ASP A 144 -15.710 6.544 8.844 1.00 0.00 O ATOM 0 H ASP A 144 -12.178 3.775 10.583 1.00 0.00 H new ATOM 0 HA ASP A 144 -14.630 3.664 8.975 1.00 0.00 H new ATOM 0 HB2 ASP A 144 -14.127 5.592 10.540 1.00 0.00 H new ATOM 0 HB3 ASP A 144 -12.692 5.953 9.601 1.00 0.00 H new ATOM 181 N GLN A 145 -11.634 3.708 7.740 1.00 0.00 N ATOM 182 CA GLN A 145 -10.869 3.627 6.499 1.00 0.00 C ATOM 183 C GLN A 145 -11.459 2.567 5.562 1.00 0.00 C ATOM 184 O GLN A 145 -10.916 1.471 5.435 1.00 0.00 O ATOM 185 CB GLN A 145 -9.403 3.293 6.826 1.00 0.00 C ATOM 186 CG GLN A 145 -8.614 4.582 7.113 1.00 0.00 C ATOM 187 CD GLN A 145 -7.138 4.262 7.306 1.00 0.00 C ATOM 188 OE1 GLN A 145 -6.274 4.977 6.798 1.00 0.00 O ATOM 189 NE2 GLN A 145 -6.798 3.227 8.016 1.00 0.00 N ATOM 0 H GLN A 145 -11.095 3.521 8.586 1.00 0.00 H new ATOM 0 HA GLN A 145 -10.919 4.590 5.990 1.00 0.00 H new ATOM 0 HB2 GLN A 145 -9.358 2.631 7.690 1.00 0.00 H new ATOM 0 HB3 GLN A 145 -8.949 2.759 5.991 1.00 0.00 H new ATOM 0 HG2 GLN A 145 -8.737 5.284 6.288 1.00 0.00 H new ATOM 0 HG3 GLN A 145 -9.008 5.067 8.006 1.00 0.00 H new ATOM 0 HE21 GLN A 145 -7.517 2.637 8.435 1.00 0.00 H new ATOM 0 HE22 GLN A 145 -5.812 3.005 8.154 1.00 0.00 H new ATOM 198 N CYS A 146 -12.570 2.912 4.907 1.00 0.00 N ATOM 199 CA CYS A 146 -13.250 2.005 3.973 1.00 0.00 C ATOM 200 C CYS A 146 -13.271 2.621 2.565 1.00 0.00 C ATOM 201 O CYS A 146 -14.045 3.539 2.294 1.00 0.00 O ATOM 202 CB CYS A 146 -14.683 1.766 4.476 1.00 0.00 C ATOM 203 SG CYS A 146 -15.545 0.582 3.412 1.00 0.00 S ATOM 0 H CYS A 146 -13.023 3.821 5.006 1.00 0.00 H new ATOM 0 HA CYS A 146 -12.718 1.055 3.921 1.00 0.00 H new ATOM 0 HB2 CYS A 146 -14.657 1.391 5.499 1.00 0.00 H new ATOM 0 HB3 CYS A 146 -15.229 2.709 4.496 1.00 0.00 H new ATOM 208 N ASN A 147 -12.397 2.122 1.679 1.00 0.00 N ATOM 209 CA ASN A 147 -12.299 2.640 0.303 1.00 0.00 C ATOM 210 C ASN A 147 -12.206 1.502 -0.722 1.00 0.00 C ATOM 211 O ASN A 147 -11.968 0.350 -0.365 1.00 0.00 O ATOM 212 CB ASN A 147 -11.060 3.532 0.177 1.00 0.00 C ATOM 213 CG ASN A 147 -10.953 4.447 1.390 1.00 0.00 C ATOM 214 OD1 ASN A 147 -11.399 5.594 1.347 1.00 0.00 O ATOM 215 ND2 ASN A 147 -10.381 4.008 2.479 1.00 0.00 N ATOM 0 H ASN A 147 -11.749 1.363 1.888 1.00 0.00 H new ATOM 0 HA ASN A 147 -13.202 3.215 0.097 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -10.165 2.916 0.096 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -11.121 4.127 -0.734 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -10.303 4.615 3.295 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -10.012 3.058 2.514 1.00 0.00 H new ATOM 222 N ASP A 148 -12.407 1.844 -2.000 1.00 0.00 N ATOM 223 CA ASP A 148 -12.354 0.852 -3.080 1.00 0.00 C ATOM 224 C ASP A 148 -10.919 0.450 -3.412 1.00 0.00 C ATOM 225 O ASP A 148 -9.966 1.159 -3.093 1.00 0.00 O ATOM 226 CB ASP A 148 -13.041 1.404 -4.334 1.00 0.00 C ATOM 227 CG ASP A 148 -12.564 2.822 -4.619 1.00 0.00 C ATOM 228 OD1 ASP A 148 -13.181 3.744 -4.114 1.00 0.00 O ATOM 229 OD2 ASP A 148 -11.592 2.963 -5.342 1.00 0.00 O ATOM 0 H ASP A 148 -12.607 2.795 -2.310 1.00 0.00 H new ATOM 0 HA ASP A 148 -12.879 -0.039 -2.735 1.00 0.00 H new ATOM 0 HB2 ASP A 148 -12.824 0.762 -5.188 1.00 0.00 H new ATOM 0 HB3 ASP A 148 -14.122 1.398 -4.197 1.00 0.00 H new ATOM 234 N TYR A 149 -10.785 -0.709 -4.057 1.00 0.00 N ATOM 235 CA TYR A 149 -9.476 -1.232 -4.440 1.00 0.00 C ATOM 236 C TYR A 149 -8.633 -0.151 -5.108 1.00 0.00 C ATOM 237 O TYR A 149 -7.541 0.175 -4.642 1.00 0.00 O ATOM 238 CB TYR A 149 -9.661 -2.404 -5.410 1.00 0.00 C ATOM 239 CG TYR A 149 -8.340 -3.102 -5.641 1.00 0.00 C ATOM 240 CD1 TYR A 149 -7.942 -4.149 -4.798 1.00 0.00 C ATOM 241 CD2 TYR A 149 -7.515 -2.708 -6.702 1.00 0.00 C ATOM 242 CE1 TYR A 149 -6.722 -4.800 -5.019 1.00 0.00 C ATOM 243 CE2 TYR A 149 -6.297 -3.359 -6.921 1.00 0.00 C ATOM 244 CZ TYR A 149 -5.899 -4.406 -6.079 1.00 0.00 C ATOM 245 OH TYR A 149 -4.697 -5.047 -6.296 1.00 0.00 O ATOM 0 H TYR A 149 -11.569 -1.304 -4.325 1.00 0.00 H new ATOM 0 HA TYR A 149 -8.960 -1.568 -3.541 1.00 0.00 H new ATOM 0 HB2 TYR A 149 -10.388 -3.109 -5.006 1.00 0.00 H new ATOM 0 HB3 TYR A 149 -10.060 -2.042 -6.357 1.00 0.00 H new ATOM 0 HD1 TYR A 149 -8.576 -4.453 -3.978 1.00 0.00 H new ATOM 0 HD2 TYR A 149 -7.820 -1.901 -7.352 1.00 0.00 H new ATOM 0 HE1 TYR A 149 -6.416 -5.607 -4.370 1.00 0.00 H new ATOM 0 HE2 TYR A 149 -5.662 -3.055 -7.740 1.00 0.00 H new ATOM 0 HH TYR A 149 -3.965 -4.495 -5.950 1.00 0.00 H new ATOM 255 N GLN A 150 -9.143 0.393 -6.207 1.00 0.00 N ATOM 256 CA GLN A 150 -8.427 1.433 -6.938 1.00 0.00 C ATOM 257 C GLN A 150 -8.061 2.588 -6.014 1.00 0.00 C ATOM 258 O GLN A 150 -6.914 3.037 -5.991 1.00 0.00 O ATOM 259 CB GLN A 150 -9.288 1.951 -8.090 1.00 0.00 C ATOM 260 CG GLN A 150 -8.557 3.090 -8.811 1.00 0.00 C ATOM 261 CD GLN A 150 -9.128 3.279 -10.207 1.00 0.00 C ATOM 262 OE1 GLN A 150 -9.954 4.163 -10.433 1.00 0.00 O ATOM 263 NE2 GLN A 150 -8.730 2.491 -11.164 1.00 0.00 N ATOM 0 H GLN A 150 -10.044 0.134 -6.610 1.00 0.00 H new ATOM 0 HA GLN A 150 -7.510 1.000 -7.337 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -9.501 1.143 -8.789 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -10.246 2.304 -7.710 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -8.656 4.014 -8.241 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -7.492 2.867 -8.873 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -8.045 1.760 -10.971 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -9.103 2.605 -12.107 1.00 0.00 H new ATOM 272 N HIS A 151 -9.037 3.064 -5.250 1.00 0.00 N ATOM 273 CA HIS A 151 -8.796 4.168 -4.330 1.00 0.00 C ATOM 274 C HIS A 151 -7.589 3.862 -3.450 1.00 0.00 C ATOM 275 O HIS A 151 -6.698 4.697 -3.296 1.00 0.00 O ATOM 276 CB HIS A 151 -10.035 4.405 -3.448 1.00 0.00 C ATOM 277 CG HIS A 151 -11.042 5.246 -4.189 1.00 0.00 C ATOM 278 ND1 HIS A 151 -12.086 5.888 -3.543 1.00 0.00 N ATOM 279 CD2 HIS A 151 -11.176 5.557 -5.519 1.00 0.00 C ATOM 280 CE1 HIS A 151 -12.797 6.546 -4.478 1.00 0.00 C ATOM 281 NE2 HIS A 151 -12.284 6.378 -5.699 1.00 0.00 N ATOM 0 H HIS A 151 -9.993 2.707 -5.249 1.00 0.00 H new ATOM 0 HA HIS A 151 -8.596 5.068 -4.911 1.00 0.00 H new ATOM 0 HB2 HIS A 151 -10.481 3.450 -3.169 1.00 0.00 H new ATOM 0 HB3 HIS A 151 -9.743 4.903 -2.523 1.00 0.00 H new ATOM 0 HD2 HIS A 151 -10.520 5.216 -6.306 1.00 0.00 H new ATOM 0 HE1 HIS A 151 -13.675 7.138 -4.266 1.00 0.00 H new ATOM 0 HE2 HIS A 151 -12.630 6.768 -6.576 1.00 0.00 H new ATOM 290 N TRP A 152 -7.566 2.668 -2.870 1.00 0.00 N ATOM 291 CA TRP A 152 -6.458 2.290 -2.006 1.00 0.00 C ATOM 292 C TRP A 152 -5.142 2.325 -2.785 1.00 0.00 C ATOM 293 O TRP A 152 -4.146 2.865 -2.310 1.00 0.00 O ATOM 294 CB TRP A 152 -6.680 0.877 -1.418 1.00 0.00 C ATOM 295 CG TRP A 152 -7.470 0.938 -0.143 1.00 0.00 C ATOM 296 CD1 TRP A 152 -8.571 0.190 0.107 1.00 0.00 C ATOM 297 CD2 TRP A 152 -7.238 1.744 1.057 1.00 0.00 C ATOM 298 NE1 TRP A 152 -9.037 0.490 1.374 1.00 0.00 N ATOM 299 CE2 TRP A 152 -8.255 1.443 1.995 1.00 0.00 C ATOM 300 CE3 TRP A 152 -6.264 2.703 1.427 1.00 0.00 C ATOM 301 CZ2 TRP A 152 -8.307 2.064 3.240 1.00 0.00 C ATOM 302 CZ3 TRP A 152 -6.317 3.324 2.679 1.00 0.00 C ATOM 303 CH2 TRP A 152 -7.334 3.011 3.583 1.00 0.00 C ATOM 0 H TRP A 152 -8.289 1.957 -2.980 1.00 0.00 H new ATOM 0 HA TRP A 152 -6.407 3.006 -1.186 1.00 0.00 H new ATOM 0 HB2 TRP A 152 -7.204 0.256 -2.144 1.00 0.00 H new ATOM 0 HB3 TRP A 152 -5.717 0.403 -1.230 1.00 0.00 H new ATOM 0 HD1 TRP A 152 -9.013 -0.524 -0.572 1.00 0.00 H new ATOM 0 HE1 TRP A 152 -9.859 0.059 1.798 1.00 0.00 H new ATOM 0 HE3 TRP A 152 -5.473 2.957 0.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 152 -9.094 1.817 3.938 1.00 0.00 H new ATOM 0 HZ3 TRP A 152 -5.565 4.051 2.949 1.00 0.00 H new ATOM 0 HH2 TRP A 152 -7.370 3.499 4.546 1.00 0.00 H new ATOM 314 N LYS A 153 -5.144 1.739 -3.973 1.00 0.00 N ATOM 315 CA LYS A 153 -3.945 1.700 -4.805 1.00 0.00 C ATOM 316 C LYS A 153 -3.303 3.083 -4.890 1.00 0.00 C ATOM 317 O LYS A 153 -2.081 3.210 -4.848 1.00 0.00 O ATOM 318 CB LYS A 153 -4.321 1.188 -6.209 1.00 0.00 C ATOM 319 CG LYS A 153 -3.119 0.495 -6.895 1.00 0.00 C ATOM 320 CD LYS A 153 -3.603 -0.482 -7.979 1.00 0.00 C ATOM 321 CE LYS A 153 -4.065 0.293 -9.213 1.00 0.00 C ATOM 322 NZ LYS A 153 -2.881 0.862 -9.917 1.00 0.00 N ATOM 0 H LYS A 153 -5.959 1.284 -4.384 1.00 0.00 H new ATOM 0 HA LYS A 153 -3.217 1.023 -4.357 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -5.152 0.487 -6.132 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -4.662 2.021 -6.823 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -2.465 1.245 -7.340 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -2.529 -0.041 -6.152 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -2.798 -1.166 -8.249 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -4.422 -1.089 -7.593 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -4.617 -0.366 -9.883 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -4.745 1.092 -8.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -3.131 1.070 -10.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -2.583 1.738 -9.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -2.101 0.175 -9.895 1.00 0.00 H new ATOM 336 N ASP A 154 -4.131 4.110 -5.006 1.00 0.00 N ATOM 337 CA ASP A 154 -3.619 5.470 -5.089 1.00 0.00 C ATOM 338 C ASP A 154 -3.155 5.955 -3.719 1.00 0.00 C ATOM 339 O ASP A 154 -2.051 6.480 -3.582 1.00 0.00 O ATOM 340 CB ASP A 154 -4.705 6.405 -5.624 1.00 0.00 C ATOM 341 CG ASP A 154 -5.023 6.059 -7.075 1.00 0.00 C ATOM 342 OD1 ASP A 154 -4.089 5.850 -7.832 1.00 0.00 O ATOM 343 OD2 ASP A 154 -6.197 6.007 -7.406 1.00 0.00 O ATOM 0 H ASP A 154 -5.147 4.031 -5.044 1.00 0.00 H new ATOM 0 HA ASP A 154 -2.767 5.476 -5.769 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -5.605 6.317 -5.015 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -4.372 7.441 -5.553 1.00 0.00 H new ATOM 348 N GLU A 155 -4.001 5.777 -2.708 1.00 0.00 N ATOM 349 CA GLU A 155 -3.666 6.208 -1.354 1.00 0.00 C ATOM 350 C GLU A 155 -2.366 5.560 -0.875 1.00 0.00 C ATOM 351 O GLU A 155 -1.453 6.252 -0.425 1.00 0.00 O ATOM 352 CB GLU A 155 -4.819 5.868 -0.397 1.00 0.00 C ATOM 353 CG GLU A 155 -4.385 6.075 1.069 1.00 0.00 C ATOM 354 CD GLU A 155 -5.588 6.448 1.935 1.00 0.00 C ATOM 355 OE1 GLU A 155 -6.652 5.899 1.704 1.00 0.00 O ATOM 356 OE2 GLU A 155 -5.425 7.277 2.815 1.00 0.00 O ATOM 0 H GLU A 155 -4.918 5.340 -2.799 1.00 0.00 H new ATOM 0 HA GLU A 155 -3.517 7.288 -1.364 1.00 0.00 H new ATOM 0 HB2 GLU A 155 -5.681 6.497 -0.619 1.00 0.00 H new ATOM 0 HB3 GLU A 155 -5.131 4.835 -0.547 1.00 0.00 H new ATOM 0 HG2 GLU A 155 -3.923 5.164 1.450 1.00 0.00 H new ATOM 0 HG3 GLU A 155 -3.632 6.861 1.124 1.00 0.00 H new ATOM 363 N ALA A 156 -2.278 4.237 -0.980 1.00 0.00 N ATOM 364 CA ALA A 156 -1.070 3.537 -0.555 1.00 0.00 C ATOM 365 C ALA A 156 0.136 4.129 -1.271 1.00 0.00 C ATOM 366 O ALA A 156 1.235 4.189 -0.720 1.00 0.00 O ATOM 367 CB ALA A 156 -1.179 2.039 -0.872 1.00 0.00 C ATOM 0 H ALA A 156 -3.015 3.637 -1.349 1.00 0.00 H new ATOM 0 HA ALA A 156 -0.951 3.656 0.522 1.00 0.00 H new ATOM 0 HB1 ALA A 156 -0.270 1.532 -0.549 1.00 0.00 H new ATOM 0 HB2 ALA A 156 -2.036 1.617 -0.347 1.00 0.00 H new ATOM 0 HB3 ALA A 156 -1.308 1.903 -1.946 1.00 0.00 H new ATOM 373 N GLY A 157 -0.086 4.578 -2.502 1.00 0.00 N ATOM 374 CA GLY A 157 0.982 5.180 -3.288 1.00 0.00 C ATOM 375 C GLY A 157 1.456 6.481 -2.647 1.00 0.00 C ATOM 376 O GLY A 157 2.655 6.698 -2.478 1.00 0.00 O ATOM 0 H GLY A 157 -0.990 4.537 -2.973 1.00 0.00 H new ATOM 0 HA2 GLY A 157 1.817 4.484 -3.370 1.00 0.00 H new ATOM 0 HA3 GLY A 157 0.629 5.375 -4.301 1.00 0.00 H new ATOM 380 N LYS A 158 0.507 7.347 -2.292 1.00 0.00 N ATOM 381 CA LYS A 158 0.847 8.623 -1.672 1.00 0.00 C ATOM 382 C LYS A 158 1.466 8.410 -0.294 1.00 0.00 C ATOM 383 O LYS A 158 2.380 9.133 0.098 1.00 0.00 O ATOM 384 CB LYS A 158 -0.401 9.504 -1.532 1.00 0.00 C ATOM 385 CG LYS A 158 -1.190 9.522 -2.853 1.00 0.00 C ATOM 386 CD LYS A 158 -2.013 10.811 -2.955 1.00 0.00 C ATOM 387 CE LYS A 158 -3.032 10.859 -1.815 1.00 0.00 C ATOM 388 NZ LYS A 158 -4.008 11.956 -2.065 1.00 0.00 N ATOM 0 H LYS A 158 -0.492 7.189 -2.422 1.00 0.00 H new ATOM 0 HA LYS A 158 1.572 9.121 -2.316 1.00 0.00 H new ATOM 0 HB2 LYS A 158 -1.033 9.127 -0.728 1.00 0.00 H new ATOM 0 HB3 LYS A 158 -0.110 10.519 -1.260 1.00 0.00 H new ATOM 0 HG2 LYS A 158 -0.504 9.451 -3.697 1.00 0.00 H new ATOM 0 HG3 LYS A 158 -1.849 8.655 -2.904 1.00 0.00 H new ATOM 0 HD2 LYS A 158 -1.356 11.679 -2.906 1.00 0.00 H new ATOM 0 HD3 LYS A 158 -2.525 10.853 -3.916 1.00 0.00 H new ATOM 0 HE2 LYS A 158 -3.553 9.905 -1.739 1.00 0.00 H new ATOM 0 HE3 LYS A 158 -2.523 11.021 -0.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 -4.700 11.988 -1.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 -3.504 12.864 -2.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 -4.502 11.783 -2.964 1.00 0.00 H new ATOM 402 N GLN A 159 0.958 7.427 0.441 1.00 0.00 N ATOM 403 CA GLN A 159 1.474 7.151 1.779 1.00 0.00 C ATOM 404 C GLN A 159 2.973 6.852 1.722 1.00 0.00 C ATOM 405 O GLN A 159 3.741 7.304 2.571 1.00 0.00 O ATOM 406 CB GLN A 159 0.716 5.960 2.410 1.00 0.00 C ATOM 407 CG GLN A 159 0.578 6.166 3.927 1.00 0.00 C ATOM 408 CD GLN A 159 -0.536 7.166 4.220 1.00 0.00 C ATOM 409 OE1 GLN A 159 -0.281 8.238 4.769 1.00 0.00 O ATOM 410 NE2 GLN A 159 -1.764 6.877 3.883 1.00 0.00 N ATOM 0 H GLN A 159 0.200 6.815 0.140 1.00 0.00 H new ATOM 0 HA GLN A 159 1.319 8.034 2.399 1.00 0.00 H new ATOM 0 HB2 GLN A 159 -0.271 5.866 1.957 1.00 0.00 H new ATOM 0 HB3 GLN A 159 1.250 5.031 2.208 1.00 0.00 H new ATOM 0 HG2 GLN A 159 0.361 5.215 4.413 1.00 0.00 H new ATOM 0 HG3 GLN A 159 1.520 6.527 4.340 1.00 0.00 H new ATOM 0 HE21 GLN A 159 -1.972 5.988 3.428 1.00 0.00 H new ATOM 0 HE22 GLN A 159 -2.515 7.540 4.074 1.00 0.00 H new ATOM 419 N CYS A 160 3.378 6.080 0.721 1.00 0.00 N ATOM 420 CA CYS A 160 4.782 5.723 0.564 1.00 0.00 C ATOM 421 C CYS A 160 5.586 6.887 -0.008 1.00 0.00 C ATOM 422 O CYS A 160 6.693 7.173 0.447 1.00 0.00 O ATOM 423 CB CYS A 160 4.898 4.519 -0.366 1.00 0.00 C ATOM 424 SG CYS A 160 6.554 3.805 -0.227 1.00 0.00 S ATOM 0 H CYS A 160 2.758 5.691 0.010 1.00 0.00 H new ATOM 0 HA CYS A 160 5.186 5.478 1.546 1.00 0.00 H new ATOM 0 HB2 CYS A 160 4.146 3.773 -0.108 1.00 0.00 H new ATOM 0 HB3 CYS A 160 4.706 4.822 -1.395 1.00 0.00 H new ATOM 429 N LYS A 161 5.026 7.544 -1.016 1.00 0.00 N ATOM 430 CA LYS A 161 5.703 8.668 -1.656 1.00 0.00 C ATOM 431 C LYS A 161 5.941 9.801 -0.664 1.00 0.00 C ATOM 432 O LYS A 161 7.061 10.297 -0.532 1.00 0.00 O ATOM 433 CB LYS A 161 4.864 9.183 -2.831 1.00 0.00 C ATOM 434 CG LYS A 161 4.785 8.116 -3.939 1.00 0.00 C ATOM 435 CD LYS A 161 6.016 8.201 -4.853 1.00 0.00 C ATOM 436 CE LYS A 161 5.833 7.251 -6.039 1.00 0.00 C ATOM 437 NZ LYS A 161 7.010 7.358 -6.947 1.00 0.00 N ATOM 0 H LYS A 161 4.111 7.321 -1.407 1.00 0.00 H new ATOM 0 HA LYS A 161 6.669 8.319 -2.020 1.00 0.00 H new ATOM 0 HB2 LYS A 161 3.861 9.435 -2.487 1.00 0.00 H new ATOM 0 HB3 LYS A 161 5.304 10.098 -3.228 1.00 0.00 H new ATOM 0 HG2 LYS A 161 4.723 7.123 -3.493 1.00 0.00 H new ATOM 0 HG3 LYS A 161 3.878 8.259 -4.526 1.00 0.00 H new ATOM 0 HD2 LYS A 161 6.149 9.223 -5.208 1.00 0.00 H new ATOM 0 HD3 LYS A 161 6.915 7.937 -4.296 1.00 0.00 H new ATOM 0 HE2 LYS A 161 5.726 6.226 -5.684 1.00 0.00 H new ATOM 0 HE3 LYS A 161 4.919 7.499 -6.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 6.886 6.713 -7.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 7.093 8.335 -7.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 7.874 7.101 -6.428 1.00 0.00 H new ATOM 451 N THR A 162 4.884 10.214 0.028 1.00 0.00 N ATOM 452 CA THR A 162 5.003 11.298 0.998 1.00 0.00 C ATOM 453 C THR A 162 5.972 10.913 2.112 1.00 0.00 C ATOM 454 O THR A 162 6.625 11.772 2.703 1.00 0.00 O ATOM 455 CB THR A 162 3.627 11.637 1.587 1.00 0.00 C ATOM 456 OG1 THR A 162 3.702 12.879 2.271 1.00 0.00 O ATOM 457 CG2 THR A 162 3.185 10.544 2.565 1.00 0.00 C ATOM 0 H THR A 162 3.947 9.821 -0.062 1.00 0.00 H new ATOM 0 HA THR A 162 5.393 12.178 0.487 1.00 0.00 H new ATOM 0 HB THR A 162 2.900 11.703 0.777 1.00 0.00 H new ATOM 0 HG1 THR A 162 2.824 13.099 2.647 1.00 0.00 H new ATOM 0 HG21 THR A 162 2.207 10.797 2.976 1.00 0.00 H new ATOM 0 HG22 THR A 162 3.123 9.590 2.041 1.00 0.00 H new ATOM 0 HG23 THR A 162 3.910 10.466 3.375 1.00 0.00 H new ATOM 465 N LYS A 163 6.066 9.616 2.389 1.00 0.00 N ATOM 466 CA LYS A 163 6.965 9.131 3.429 1.00 0.00 C ATOM 467 C LYS A 163 8.403 9.126 2.923 1.00 0.00 C ATOM 468 O LYS A 163 8.648 9.034 1.719 1.00 0.00 O ATOM 469 CB LYS A 163 6.556 7.714 3.858 1.00 0.00 C ATOM 470 CG LYS A 163 5.369 7.787 4.835 1.00 0.00 C ATOM 471 CD LYS A 163 5.835 8.290 6.235 1.00 0.00 C ATOM 472 CE LYS A 163 5.094 9.578 6.619 1.00 0.00 C ATOM 473 NZ LYS A 163 3.636 9.295 6.737 1.00 0.00 N ATOM 0 H LYS A 163 5.535 8.888 1.912 1.00 0.00 H new ATOM 0 HA LYS A 163 6.897 9.797 4.289 1.00 0.00 H new ATOM 0 HB2 LYS A 163 6.283 7.124 2.983 1.00 0.00 H new ATOM 0 HB3 LYS A 163 7.398 7.210 4.332 1.00 0.00 H new ATOM 0 HG2 LYS A 163 4.606 8.457 4.438 1.00 0.00 H new ATOM 0 HG3 LYS A 163 4.910 6.803 4.931 1.00 0.00 H new ATOM 0 HD2 LYS A 163 5.650 7.520 6.984 1.00 0.00 H new ATOM 0 HD3 LYS A 163 6.910 8.472 6.223 1.00 0.00 H new ATOM 0 HE2 LYS A 163 5.478 9.964 7.563 1.00 0.00 H new ATOM 0 HE3 LYS A 163 5.266 10.348 5.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 163 3.195 9.999 7.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 163 3.195 9.345 5.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 163 3.498 8.344 7.134 1.00 0.00 H new ATOM 487 N LYS A 164 9.352 9.231 3.850 1.00 0.00 N ATOM 488 CA LYS A 164 10.770 9.243 3.497 1.00 0.00 C ATOM 489 C LYS A 164 11.583 8.467 4.527 1.00 0.00 C ATOM 490 O LYS A 164 11.109 8.190 5.628 1.00 0.00 O ATOM 491 CB LYS A 164 11.281 10.689 3.436 1.00 0.00 C ATOM 492 CG LYS A 164 10.878 11.457 4.716 1.00 0.00 C ATOM 493 CD LYS A 164 9.544 12.192 4.512 1.00 0.00 C ATOM 494 CE LYS A 164 9.250 13.060 5.737 1.00 0.00 C ATOM 495 NZ LYS A 164 7.987 13.819 5.517 1.00 0.00 N ATOM 0 H LYS A 164 9.166 9.309 4.850 1.00 0.00 H new ATOM 0 HA LYS A 164 10.886 8.771 2.522 1.00 0.00 H new ATOM 0 HB2 LYS A 164 12.366 10.694 3.327 1.00 0.00 H new ATOM 0 HB3 LYS A 164 10.871 11.190 2.559 1.00 0.00 H new ATOM 0 HG2 LYS A 164 10.792 10.762 5.551 1.00 0.00 H new ATOM 0 HG3 LYS A 164 11.657 12.173 4.977 1.00 0.00 H new ATOM 0 HD2 LYS A 164 9.591 12.811 3.616 1.00 0.00 H new ATOM 0 HD3 LYS A 164 8.739 11.473 4.361 1.00 0.00 H new ATOM 0 HE2 LYS A 164 9.161 12.435 6.626 1.00 0.00 H new ATOM 0 HE3 LYS A 164 10.075 13.750 5.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 7.787 14.409 6.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 8.088 14.426 4.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 7.203 13.152 5.369 1.00 0.00 H new ATOM 509 N SER A 165 12.814 8.122 4.161 1.00 0.00 N ATOM 510 CA SER A 165 13.689 7.381 5.061 1.00 0.00 C ATOM 511 C SER A 165 14.294 8.319 6.101 1.00 0.00 C ATOM 512 O SER A 165 13.977 9.508 6.136 1.00 0.00 O ATOM 513 CB SER A 165 14.805 6.705 4.262 1.00 0.00 C ATOM 514 OG SER A 165 14.273 5.583 3.570 1.00 0.00 O ATOM 0 H SER A 165 13.225 8.342 3.254 1.00 0.00 H new ATOM 0 HA SER A 165 13.101 6.619 5.573 1.00 0.00 H new ATOM 0 HB2 SER A 165 15.240 7.411 3.554 1.00 0.00 H new ATOM 0 HB3 SER A 165 15.606 6.389 4.930 1.00 0.00 H new ATOM 0 HG SER A 165 14.985 5.148 3.056 1.00 0.00 H new ATOM 520 N LYS A 166 15.164 7.778 6.946 1.00 0.00 N ATOM 521 CA LYS A 166 15.804 8.580 7.983 1.00 0.00 C ATOM 522 C LYS A 166 16.623 9.705 7.357 1.00 0.00 C ATOM 523 O LYS A 166 16.759 10.783 7.937 1.00 0.00 O ATOM 524 CB LYS A 166 16.718 7.693 8.839 1.00 0.00 C ATOM 525 CG LYS A 166 17.177 8.455 10.100 1.00 0.00 C ATOM 526 CD LYS A 166 16.158 8.277 11.233 1.00 0.00 C ATOM 527 CE LYS A 166 16.499 9.232 12.378 1.00 0.00 C ATOM 528 NZ LYS A 166 16.084 10.616 12.011 1.00 0.00 N ATOM 0 H LYS A 166 15.441 6.796 6.935 1.00 0.00 H new ATOM 0 HA LYS A 166 15.029 9.016 8.613 1.00 0.00 H new ATOM 0 HB2 LYS A 166 16.188 6.785 9.127 1.00 0.00 H new ATOM 0 HB3 LYS A 166 17.586 7.384 8.256 1.00 0.00 H new ATOM 0 HG2 LYS A 166 18.153 8.089 10.419 1.00 0.00 H new ATOM 0 HG3 LYS A 166 17.294 9.514 9.870 1.00 0.00 H new ATOM 0 HD2 LYS A 166 15.151 8.477 10.866 1.00 0.00 H new ATOM 0 HD3 LYS A 166 16.169 7.247 11.589 1.00 0.00 H new ATOM 0 HE2 LYS A 166 15.992 8.919 13.290 1.00 0.00 H new ATOM 0 HE3 LYS A 166 17.569 9.204 12.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 16.060 11.209 12.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 16.764 11.014 11.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 15.138 10.592 11.579 1.00 0.00 H new ATOM 542 N GLY A 167 17.166 9.448 6.169 1.00 0.00 N ATOM 543 CA GLY A 167 17.972 10.445 5.467 1.00 0.00 C ATOM 544 C GLY A 167 17.111 11.278 4.523 1.00 0.00 C ATOM 545 O GLY A 167 17.576 11.720 3.471 1.00 0.00 O ATOM 0 H GLY A 167 17.063 8.562 5.674 1.00 0.00 H new ATOM 0 HA2 GLY A 167 18.461 11.098 6.190 1.00 0.00 H new ATOM 0 HA3 GLY A 167 18.761 9.948 4.902 1.00 0.00 H new ATOM 549 N ASN A 168 15.855 11.490 4.903 1.00 0.00 N ATOM 550 CA ASN A 168 14.940 12.272 4.080 1.00 0.00 C ATOM 551 C ASN A 168 15.018 11.823 2.622 1.00 0.00 C ATOM 552 O ASN A 168 15.037 12.647 1.709 1.00 0.00 O ATOM 553 CB ASN A 168 15.291 13.758 4.177 1.00 0.00 C ATOM 554 CG ASN A 168 15.231 14.212 5.631 1.00 0.00 C ATOM 555 OD1 ASN A 168 16.163 14.852 6.121 1.00 0.00 O ATOM 556 ND2 ASN A 168 14.184 13.922 6.354 1.00 0.00 N ATOM 0 H ASN A 168 15.450 11.134 5.769 1.00 0.00 H new ATOM 0 HA ASN A 168 13.925 12.114 4.445 1.00 0.00 H new ATOM 0 HB2 ASN A 168 16.289 13.932 3.774 1.00 0.00 H new ATOM 0 HB3 ASN A 168 14.597 14.344 3.575 1.00 0.00 H new ATOM 0 HD21 ASN A 168 14.136 14.225 7.327 1.00 0.00 H new ATOM 0 HD22 ASN A 168 13.414 13.392 5.946 1.00 0.00 H new ATOM 563 N LYS A 169 15.066 10.508 2.418 1.00 0.00 N ATOM 564 CA LYS A 169 15.145 9.946 1.069 1.00 0.00 C ATOM 565 C LYS A 169 13.736 9.694 0.520 1.00 0.00 C ATOM 566 O LYS A 169 12.747 10.153 1.092 1.00 0.00 O ATOM 567 CB LYS A 169 15.959 8.628 1.113 1.00 0.00 C ATOM 568 CG LYS A 169 16.923 8.543 -0.083 1.00 0.00 C ATOM 569 CD LYS A 169 17.388 7.097 -0.270 1.00 0.00 C ATOM 570 CE LYS A 169 18.194 6.657 0.954 1.00 0.00 C ATOM 571 NZ LYS A 169 18.928 5.399 0.640 1.00 0.00 N ATOM 0 H LYS A 169 15.052 9.814 3.165 1.00 0.00 H new ATOM 0 HA LYS A 169 15.646 10.652 0.407 1.00 0.00 H new ATOM 0 HB2 LYS A 169 16.522 8.574 2.045 1.00 0.00 H new ATOM 0 HB3 LYS A 169 15.280 7.775 1.101 1.00 0.00 H new ATOM 0 HG2 LYS A 169 16.427 8.895 -0.988 1.00 0.00 H new ATOM 0 HG3 LYS A 169 17.782 9.193 0.083 1.00 0.00 H new ATOM 0 HD2 LYS A 169 16.528 6.442 -0.407 1.00 0.00 H new ATOM 0 HD3 LYS A 169 17.998 7.014 -1.169 1.00 0.00 H new ATOM 0 HE2 LYS A 169 18.897 7.439 1.240 1.00 0.00 H new ATOM 0 HE3 LYS A 169 17.529 6.500 1.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 19.476 5.100 1.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 18.248 4.654 0.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 19.573 5.564 -0.159 1.00 0.00 H new ATOM 585 N ASP A 170 13.653 8.961 -0.592 1.00 0.00 N ATOM 586 CA ASP A 170 12.365 8.647 -1.216 1.00 0.00 C ATOM 587 C ASP A 170 12.214 7.140 -1.386 1.00 0.00 C ATOM 588 O ASP A 170 13.204 6.409 -1.421 1.00 0.00 O ATOM 589 CB ASP A 170 12.274 9.325 -2.586 1.00 0.00 C ATOM 590 CG ASP A 170 10.844 9.246 -3.113 1.00 0.00 C ATOM 591 OD1 ASP A 170 10.045 10.082 -2.727 1.00 0.00 O ATOM 592 OD2 ASP A 170 10.571 8.350 -3.894 1.00 0.00 O ATOM 0 H ASP A 170 14.461 8.574 -1.079 1.00 0.00 H new ATOM 0 HA ASP A 170 11.566 9.015 -0.572 1.00 0.00 H new ATOM 0 HB2 ASP A 170 12.584 10.367 -2.507 1.00 0.00 H new ATOM 0 HB3 ASP A 170 12.956 8.842 -3.286 1.00 0.00 H new ATOM 597 N MET A 171 10.969 6.676 -1.487 1.00 0.00 N ATOM 598 CA MET A 171 10.700 5.247 -1.648 1.00 0.00 C ATOM 599 C MET A 171 9.436 5.024 -2.471 1.00 0.00 C ATOM 600 O MET A 171 8.429 5.707 -2.280 1.00 0.00 O ATOM 601 CB MET A 171 10.527 4.588 -0.278 1.00 0.00 C ATOM 602 CG MET A 171 11.750 4.876 0.596 1.00 0.00 C ATOM 603 SD MET A 171 11.680 3.856 2.093 1.00 0.00 S ATOM 604 CE MET A 171 11.899 2.240 1.306 1.00 0.00 C ATOM 0 H MET A 171 10.136 7.264 -1.461 1.00 0.00 H new ATOM 0 HA MET A 171 11.547 4.800 -2.168 1.00 0.00 H new ATOM 0 HB2 MET A 171 9.626 4.966 0.206 1.00 0.00 H new ATOM 0 HB3 MET A 171 10.398 3.512 -0.396 1.00 0.00 H new ATOM 0 HG2 MET A 171 12.664 4.664 0.041 1.00 0.00 H new ATOM 0 HG3 MET A 171 11.778 5.932 0.864 1.00 0.00 H new ATOM 0 HE1 MET A 171 12.203 1.509 2.055 1.00 0.00 H new ATOM 0 HE2 MET A 171 10.959 1.926 0.853 1.00 0.00 H new ATOM 0 HE3 MET A 171 12.667 2.311 0.536 1.00 0.00 H new ATOM 614 N ILE A 172 9.492 4.050 -3.378 1.00 0.00 N ATOM 615 CA ILE A 172 8.344 3.720 -4.219 1.00 0.00 C ATOM 616 C ILE A 172 7.519 2.630 -3.551 1.00 0.00 C ATOM 617 O ILE A 172 7.779 2.270 -2.407 1.00 0.00 O ATOM 618 CB ILE A 172 8.818 3.241 -5.603 1.00 0.00 C ATOM 619 CG1 ILE A 172 9.627 1.939 -5.480 1.00 0.00 C ATOM 620 CG2 ILE A 172 9.705 4.318 -6.231 1.00 0.00 C ATOM 621 CD1 ILE A 172 9.916 1.387 -6.879 1.00 0.00 C ATOM 0 H ILE A 172 10.318 3.477 -3.549 1.00 0.00 H new ATOM 0 HA ILE A 172 7.731 4.612 -4.348 1.00 0.00 H new ATOM 0 HB ILE A 172 7.943 3.056 -6.226 1.00 0.00 H new ATOM 0 HG12 ILE A 172 10.561 2.127 -4.951 1.00 0.00 H new ATOM 0 HG13 ILE A 172 9.071 1.206 -4.895 1.00 0.00 H new ATOM 0 HG21 ILE A 172 10.044 3.984 -7.212 1.00 0.00 H new ATOM 0 HG22 ILE A 172 9.135 5.241 -6.339 1.00 0.00 H new ATOM 0 HG23 ILE A 172 10.569 4.497 -5.590 1.00 0.00 H new ATOM 0 HD11 ILE A 172 10.489 0.464 -6.795 1.00 0.00 H new ATOM 0 HD12 ILE A 172 8.976 1.184 -7.392 1.00 0.00 H new ATOM 0 HD13 ILE A 172 10.489 2.119 -7.448 1.00 0.00 H new ATOM 633 N VAL A 173 6.540 2.091 -4.277 1.00 0.00 N ATOM 634 CA VAL A 173 5.698 1.013 -3.753 1.00 0.00 C ATOM 635 C VAL A 173 5.958 -0.263 -4.548 1.00 0.00 C ATOM 636 O VAL A 173 5.580 -0.375 -5.715 1.00 0.00 O ATOM 637 CB VAL A 173 4.214 1.401 -3.836 1.00 0.00 C ATOM 638 CG1 VAL A 173 3.342 0.182 -3.515 1.00 0.00 C ATOM 639 CG2 VAL A 173 3.917 2.520 -2.825 1.00 0.00 C ATOM 0 H VAL A 173 6.310 2.381 -5.227 1.00 0.00 H new ATOM 0 HA VAL A 173 5.946 0.842 -2.705 1.00 0.00 H new ATOM 0 HB VAL A 173 3.991 1.751 -4.844 1.00 0.00 H new ATOM 0 HG11 VAL A 173 2.290 0.461 -3.575 1.00 0.00 H new ATOM 0 HG12 VAL A 173 3.548 -0.612 -4.233 1.00 0.00 H new ATOM 0 HG13 VAL A 173 3.567 -0.171 -2.509 1.00 0.00 H new ATOM 0 HG21 VAL A 173 2.864 2.794 -2.885 1.00 0.00 H new ATOM 0 HG22 VAL A 173 4.144 2.170 -1.818 1.00 0.00 H new ATOM 0 HG23 VAL A 173 4.532 3.390 -3.054 1.00 0.00 H new ATOM 649 N ARG A 174 6.625 -1.212 -3.904 1.00 0.00 N ATOM 650 CA ARG A 174 6.962 -2.477 -4.542 1.00 0.00 C ATOM 651 C ARG A 174 5.730 -3.381 -4.646 1.00 0.00 C ATOM 652 O ARG A 174 5.364 -3.815 -5.739 1.00 0.00 O ATOM 653 CB ARG A 174 8.097 -3.155 -3.738 1.00 0.00 C ATOM 654 CG ARG A 174 8.031 -4.686 -3.849 1.00 0.00 C ATOM 655 CD ARG A 174 9.382 -5.291 -3.459 1.00 0.00 C ATOM 656 NE ARG A 174 9.286 -6.746 -3.403 1.00 0.00 N ATOM 657 CZ ARG A 174 9.224 -7.473 -4.514 1.00 0.00 C ATOM 658 NH1 ARG A 174 9.255 -6.887 -5.680 1.00 0.00 N ATOM 659 NH2 ARG A 174 9.136 -8.774 -4.439 1.00 0.00 N ATOM 0 H ARG A 174 6.944 -1.129 -2.939 1.00 0.00 H new ATOM 0 HA ARG A 174 7.308 -2.294 -5.559 1.00 0.00 H new ATOM 0 HB2 ARG A 174 9.062 -2.804 -4.103 1.00 0.00 H new ATOM 0 HB3 ARG A 174 8.027 -2.862 -2.690 1.00 0.00 H new ATOM 0 HG2 ARG A 174 7.247 -5.074 -3.199 1.00 0.00 H new ATOM 0 HG3 ARG A 174 7.773 -4.975 -4.868 1.00 0.00 H new ATOM 0 HD2 ARG A 174 10.143 -4.997 -4.182 1.00 0.00 H new ATOM 0 HD3 ARG A 174 9.696 -4.903 -2.490 1.00 0.00 H new ATOM 0 HE ARG A 174 9.266 -7.213 -2.496 1.00 0.00 H new ATOM 0 HH11 ARG A 174 9.327 -5.871 -5.739 1.00 0.00 H new ATOM 0 HH12 ARG A 174 9.207 -7.445 -6.533 1.00 0.00 H new ATOM 0 HH21 ARG A 174 9.115 -9.232 -3.528 1.00 0.00 H new ATOM 0 HH22 ARG A 174 9.088 -9.332 -5.292 1.00 0.00 H new ATOM 673 N SER A 175 5.102 -3.672 -3.506 1.00 0.00 N ATOM 674 CA SER A 175 3.916 -4.539 -3.480 1.00 0.00 C ATOM 675 C SER A 175 2.686 -3.764 -3.019 1.00 0.00 C ATOM 676 O SER A 175 2.800 -2.668 -2.471 1.00 0.00 O ATOM 677 CB SER A 175 4.158 -5.719 -2.537 1.00 0.00 C ATOM 678 OG SER A 175 3.234 -6.757 -2.838 1.00 0.00 O ATOM 0 H SER A 175 5.390 -3.324 -2.592 1.00 0.00 H new ATOM 0 HA SER A 175 3.738 -4.906 -4.491 1.00 0.00 H new ATOM 0 HB2 SER A 175 5.180 -6.083 -2.646 1.00 0.00 H new ATOM 0 HB3 SER A 175 4.041 -5.401 -1.501 1.00 0.00 H new ATOM 0 HG SER A 175 3.387 -7.516 -2.237 1.00 0.00 H new ATOM 684 N PHE A 176 1.511 -4.344 -3.243 1.00 0.00 N ATOM 685 CA PHE A 176 0.267 -3.697 -2.842 1.00 0.00 C ATOM 686 C PHE A 176 -0.907 -4.676 -2.943 1.00 0.00 C ATOM 687 O PHE A 176 -1.079 -5.365 -3.948 1.00 0.00 O ATOM 688 CB PHE A 176 0.038 -2.449 -3.718 1.00 0.00 C ATOM 689 CG PHE A 176 -1.428 -2.056 -3.735 1.00 0.00 C ATOM 690 CD1 PHE A 176 -1.950 -1.271 -2.707 1.00 0.00 C ATOM 691 CD2 PHE A 176 -2.261 -2.485 -4.774 1.00 0.00 C ATOM 692 CE1 PHE A 176 -3.296 -0.915 -2.708 1.00 0.00 C ATOM 693 CE2 PHE A 176 -3.615 -2.125 -4.780 1.00 0.00 C ATOM 694 CZ PHE A 176 -4.132 -1.340 -3.744 1.00 0.00 C ATOM 0 H PHE A 176 1.394 -5.251 -3.695 1.00 0.00 H new ATOM 0 HA PHE A 176 0.338 -3.384 -1.800 1.00 0.00 H new ATOM 0 HB2 PHE A 176 0.636 -1.620 -3.339 1.00 0.00 H new ATOM 0 HB3 PHE A 176 0.377 -2.647 -4.735 1.00 0.00 H new ATOM 0 HD1 PHE A 176 -1.307 -0.938 -1.906 1.00 0.00 H new ATOM 0 HD2 PHE A 176 -1.860 -3.094 -5.571 1.00 0.00 H new ATOM 0 HE1 PHE A 176 -3.694 -0.310 -1.907 1.00 0.00 H new ATOM 0 HE2 PHE A 176 -4.258 -2.453 -5.583 1.00 0.00 H new ATOM 0 HZ PHE A 176 -5.176 -1.063 -3.745 1.00 0.00 H new ATOM 704 N ALA A 177 -1.707 -4.717 -1.881 1.00 0.00 N ATOM 705 CA ALA A 177 -2.874 -5.598 -1.825 1.00 0.00 C ATOM 706 C ALA A 177 -3.761 -5.192 -0.655 1.00 0.00 C ATOM 707 O ALA A 177 -3.254 -4.831 0.400 1.00 0.00 O ATOM 708 CB ALA A 177 -2.425 -7.049 -1.646 1.00 0.00 C ATOM 0 H ALA A 177 -1.569 -4.150 -1.045 1.00 0.00 H new ATOM 0 HA ALA A 177 -3.434 -5.510 -2.756 1.00 0.00 H new ATOM 0 HB1 ALA A 177 -3.300 -7.698 -1.605 1.00 0.00 H new ATOM 0 HB2 ALA A 177 -1.795 -7.341 -2.486 1.00 0.00 H new ATOM 0 HB3 ALA A 177 -1.860 -7.143 -0.719 1.00 0.00 H new ATOM 714 N VAL A 178 -5.078 -5.244 -0.836 1.00 0.00 N ATOM 715 CA VAL A 178 -5.987 -4.847 0.239 1.00 0.00 C ATOM 716 C VAL A 178 -5.925 -5.836 1.399 1.00 0.00 C ATOM 717 O VAL A 178 -5.389 -6.935 1.263 1.00 0.00 O ATOM 718 CB VAL A 178 -7.426 -4.727 -0.278 1.00 0.00 C ATOM 719 CG1 VAL A 178 -7.516 -3.545 -1.249 1.00 0.00 C ATOM 720 CG2 VAL A 178 -7.842 -6.020 -0.993 1.00 0.00 C ATOM 0 H VAL A 178 -5.533 -5.550 -1.696 1.00 0.00 H new ATOM 0 HA VAL A 178 -5.666 -3.870 0.601 1.00 0.00 H new ATOM 0 HB VAL A 178 -8.098 -4.562 0.564 1.00 0.00 H new ATOM 0 HG11 VAL A 178 -8.537 -3.455 -1.619 1.00 0.00 H new ATOM 0 HG12 VAL A 178 -7.236 -2.627 -0.732 1.00 0.00 H new ATOM 0 HG13 VAL A 178 -6.839 -3.710 -2.087 1.00 0.00 H new ATOM 0 HG21 VAL A 178 -8.865 -5.922 -1.355 1.00 0.00 H new ATOM 0 HG22 VAL A 178 -7.174 -6.201 -1.835 1.00 0.00 H new ATOM 0 HG23 VAL A 178 -7.782 -6.856 -0.297 1.00 0.00 H new ATOM 730 N LEU A 179 -6.446 -5.421 2.560 1.00 0.00 N ATOM 731 CA LEU A 179 -6.413 -6.259 3.765 1.00 0.00 C ATOM 732 C LEU A 179 -7.809 -6.720 4.184 1.00 0.00 C ATOM 733 O LEU A 179 -8.338 -7.704 3.665 1.00 0.00 O ATOM 734 CB LEU A 179 -5.788 -5.471 4.930 1.00 0.00 C ATOM 735 CG LEU A 179 -4.260 -5.355 4.765 1.00 0.00 C ATOM 736 CD1 LEU A 179 -3.680 -4.440 5.885 1.00 0.00 C ATOM 737 CD2 LEU A 179 -3.610 -6.765 4.815 1.00 0.00 C ATOM 0 H LEU A 179 -6.894 -4.514 2.691 1.00 0.00 H new ATOM 0 HA LEU A 179 -5.816 -7.140 3.528 1.00 0.00 H new ATOM 0 HB2 LEU A 179 -6.228 -4.475 4.977 1.00 0.00 H new ATOM 0 HB3 LEU A 179 -6.018 -5.966 5.873 1.00 0.00 H new ATOM 0 HG LEU A 179 -4.033 -4.908 3.797 1.00 0.00 H new ATOM 0 HD11 LEU A 179 -2.599 -4.360 5.766 1.00 0.00 H new ATOM 0 HD12 LEU A 179 -4.128 -3.449 5.813 1.00 0.00 H new ATOM 0 HD13 LEU A 179 -3.907 -4.871 6.860 1.00 0.00 H new ATOM 0 HD21 LEU A 179 -2.530 -6.672 4.698 1.00 0.00 H new ATOM 0 HD22 LEU A 179 -3.832 -7.234 5.774 1.00 0.00 H new ATOM 0 HD23 LEU A 179 -4.011 -7.379 4.009 1.00 0.00 H new ATOM 749 N GLU A 180 -8.376 -6.019 5.164 1.00 0.00 N ATOM 750 CA GLU A 180 -9.686 -6.376 5.699 1.00 0.00 C ATOM 751 C GLU A 180 -10.810 -6.042 4.712 1.00 0.00 C ATOM 752 O GLU A 180 -10.725 -5.052 3.986 1.00 0.00 O ATOM 753 CB GLU A 180 -9.924 -5.624 7.009 1.00 0.00 C ATOM 754 CG GLU A 180 -9.017 -6.195 8.103 1.00 0.00 C ATOM 755 CD GLU A 180 -9.022 -5.274 9.318 1.00 0.00 C ATOM 756 OE1 GLU A 180 -10.100 -4.984 9.811 1.00 0.00 O ATOM 757 OE2 GLU A 180 -7.949 -4.873 9.736 1.00 0.00 O ATOM 0 H GLU A 180 -7.949 -5.203 5.602 1.00 0.00 H new ATOM 0 HA GLU A 180 -9.696 -7.452 5.872 1.00 0.00 H new ATOM 0 HB2 GLU A 180 -9.721 -4.562 6.872 1.00 0.00 H new ATOM 0 HB3 GLU A 180 -10.969 -5.713 7.306 1.00 0.00 H new ATOM 0 HG2 GLU A 180 -9.360 -7.189 8.389 1.00 0.00 H new ATOM 0 HG3 GLU A 180 -8.001 -6.305 7.724 1.00 0.00 H new ATOM 764 N PRO A 181 -11.865 -6.834 4.676 1.00 0.00 N ATOM 765 CA PRO A 181 -13.020 -6.590 3.763 1.00 0.00 C ATOM 766 C PRO A 181 -13.981 -5.518 4.294 1.00 0.00 C ATOM 767 O PRO A 181 -14.187 -5.384 5.499 1.00 0.00 O ATOM 768 CB PRO A 181 -13.709 -7.953 3.716 1.00 0.00 C ATOM 769 CG PRO A 181 -13.487 -8.513 5.081 1.00 0.00 C ATOM 770 CD PRO A 181 -12.083 -8.054 5.486 1.00 0.00 C ATOM 0 HA PRO A 181 -12.702 -6.215 2.790 1.00 0.00 H new ATOM 0 HB2 PRO A 181 -14.771 -7.856 3.491 1.00 0.00 H new ATOM 0 HB3 PRO A 181 -13.277 -8.593 2.946 1.00 0.00 H new ATOM 0 HG2 PRO A 181 -14.237 -8.148 5.782 1.00 0.00 H new ATOM 0 HG3 PRO A 181 -13.558 -9.601 5.076 1.00 0.00 H new ATOM 0 HD2 PRO A 181 -12.024 -7.842 6.553 1.00 0.00 H new ATOM 0 HD3 PRO A 181 -11.335 -8.817 5.270 1.00 0.00 H new ATOM 778 N CYS A 182 -14.568 -4.779 3.361 1.00 0.00 N ATOM 779 CA CYS A 182 -15.532 -3.716 3.666 1.00 0.00 C ATOM 780 C CYS A 182 -16.724 -3.865 2.721 1.00 0.00 C ATOM 781 O CYS A 182 -16.844 -4.886 2.046 1.00 0.00 O ATOM 782 CB CYS A 182 -14.880 -2.339 3.502 1.00 0.00 C ATOM 783 SG CYS A 182 -15.704 -1.100 4.529 1.00 0.00 S ATOM 0 H CYS A 182 -14.391 -4.897 2.363 1.00 0.00 H new ATOM 0 HA CYS A 182 -15.867 -3.801 4.700 1.00 0.00 H new ATOM 0 HB2 CYS A 182 -13.826 -2.398 3.774 1.00 0.00 H new ATOM 0 HB3 CYS A 182 -14.923 -2.035 2.456 1.00 0.00 H new ATOM 788 N ALA A 183 -17.607 -2.869 2.698 1.00 0.00 N ATOM 789 CA ALA A 183 -18.798 -2.915 1.839 1.00 0.00 C ATOM 790 C ALA A 183 -18.515 -3.621 0.507 1.00 0.00 C ATOM 791 O ALA A 183 -17.361 -3.784 0.112 1.00 0.00 O ATOM 792 CB ALA A 183 -19.285 -1.492 1.559 1.00 0.00 C ATOM 0 H ALA A 183 -17.525 -2.022 3.260 1.00 0.00 H new ATOM 0 HA ALA A 183 -19.564 -3.482 2.367 1.00 0.00 H new ATOM 0 HB1 ALA A 183 -20.168 -1.529 0.922 1.00 0.00 H new ATOM 0 HB2 ALA A 183 -19.536 -1.002 2.500 1.00 0.00 H new ATOM 0 HB3 ALA A 183 -18.498 -0.930 1.056 1.00 0.00 H new ATOM 798 N LEU A 184 -19.594 -4.044 -0.163 1.00 0.00 N ATOM 799 CA LEU A 184 -19.526 -4.766 -1.447 1.00 0.00 C ATOM 800 C LEU A 184 -18.159 -4.666 -2.130 1.00 0.00 C ATOM 801 O LEU A 184 -17.454 -5.667 -2.260 1.00 0.00 O ATOM 802 CB LEU A 184 -20.590 -4.207 -2.402 1.00 0.00 C ATOM 803 CG LEU A 184 -20.760 -5.145 -3.622 1.00 0.00 C ATOM 804 CD1 LEU A 184 -21.838 -6.195 -3.331 1.00 0.00 C ATOM 805 CD2 LEU A 184 -21.175 -4.325 -4.852 1.00 0.00 C ATOM 0 H LEU A 184 -20.547 -3.896 0.170 1.00 0.00 H new ATOM 0 HA LEU A 184 -19.702 -5.818 -1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 184 -21.540 -4.104 -1.879 1.00 0.00 H new ATOM 0 HB3 LEU A 184 -20.301 -3.211 -2.737 1.00 0.00 H new ATOM 0 HG LEU A 184 -19.811 -5.645 -3.816 1.00 0.00 H new ATOM 0 HD11 LEU A 184 -21.950 -6.850 -4.195 1.00 0.00 H new ATOM 0 HD12 LEU A 184 -21.545 -6.786 -2.463 1.00 0.00 H new ATOM 0 HD13 LEU A 184 -22.786 -5.697 -3.128 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -21.294 -4.989 -5.709 1.00 0.00 H new ATOM 0 HD22 LEU A 184 -22.120 -3.820 -4.651 1.00 0.00 H new ATOM 0 HD23 LEU A 184 -20.407 -3.584 -5.071 1.00 0.00 H new ATOM 817 N ASP A 185 -17.797 -3.465 -2.579 1.00 0.00 N ATOM 818 CA ASP A 185 -16.517 -3.254 -3.268 1.00 0.00 C ATOM 819 C ASP A 185 -15.665 -2.247 -2.509 1.00 0.00 C ATOM 820 O ASP A 185 -15.437 -1.134 -2.981 1.00 0.00 O ATOM 821 CB ASP A 185 -16.786 -2.739 -4.686 1.00 0.00 C ATOM 822 CG ASP A 185 -15.546 -2.923 -5.558 1.00 0.00 C ATOM 823 OD1 ASP A 185 -14.667 -2.079 -5.487 1.00 0.00 O ATOM 824 OD2 ASP A 185 -15.494 -3.903 -6.282 1.00 0.00 O ATOM 0 H ASP A 185 -18.366 -2.625 -2.481 1.00 0.00 H new ATOM 0 HA ASP A 185 -15.978 -4.200 -3.315 1.00 0.00 H new ATOM 0 HB2 ASP A 185 -17.629 -3.275 -5.122 1.00 0.00 H new ATOM 0 HB3 ASP A 185 -17.062 -1.685 -4.652 1.00 0.00 H new ATOM 829 N MET A 186 -15.208 -2.644 -1.324 1.00 0.00 N ATOM 830 CA MET A 186 -14.395 -1.766 -0.491 1.00 0.00 C ATOM 831 C MET A 186 -13.582 -2.569 0.521 1.00 0.00 C ATOM 832 O MET A 186 -13.883 -3.732 0.788 1.00 0.00 O ATOM 833 CB MET A 186 -15.297 -0.759 0.239 1.00 0.00 C ATOM 834 CG MET A 186 -15.841 0.290 -0.735 1.00 0.00 C ATOM 835 SD MET A 186 -16.384 1.743 0.201 1.00 0.00 S ATOM 836 CE MET A 186 -16.011 2.988 -1.060 1.00 0.00 C ATOM 0 H MET A 186 -15.386 -3.564 -0.921 1.00 0.00 H new ATOM 0 HA MET A 186 -13.699 -1.229 -1.135 1.00 0.00 H new ATOM 0 HB2 MET A 186 -16.125 -1.284 0.715 1.00 0.00 H new ATOM 0 HB3 MET A 186 -14.734 -0.268 1.032 1.00 0.00 H new ATOM 0 HG2 MET A 186 -15.071 0.572 -1.453 1.00 0.00 H new ATOM 0 HG3 MET A 186 -16.673 -0.122 -1.305 1.00 0.00 H new ATOM 0 HE1 MET A 186 -16.156 3.984 -0.642 1.00 0.00 H new ATOM 0 HE2 MET A 186 -14.976 2.878 -1.385 1.00 0.00 H new ATOM 0 HE3 MET A 186 -16.676 2.852 -1.913 1.00 0.00 H new ATOM 846 N PHE A 187 -12.547 -1.936 1.085 1.00 0.00 N ATOM 847 CA PHE A 187 -11.684 -2.591 2.079 1.00 0.00 C ATOM 848 C PHE A 187 -11.437 -1.672 3.279 1.00 0.00 C ATOM 849 O PHE A 187 -11.144 -0.487 3.116 1.00 0.00 O ATOM 850 CB PHE A 187 -10.364 -2.967 1.419 1.00 0.00 C ATOM 851 CG PHE A 187 -10.670 -3.908 0.286 1.00 0.00 C ATOM 852 CD1 PHE A 187 -10.777 -5.280 0.530 1.00 0.00 C ATOM 853 CD2 PHE A 187 -10.881 -3.405 -1.002 1.00 0.00 C ATOM 854 CE1 PHE A 187 -11.089 -6.153 -0.515 1.00 0.00 C ATOM 855 CE2 PHE A 187 -11.197 -4.275 -2.049 1.00 0.00 C ATOM 856 CZ PHE A 187 -11.301 -5.652 -1.806 1.00 0.00 C ATOM 0 H PHE A 187 -12.286 -0.973 0.872 1.00 0.00 H new ATOM 0 HA PHE A 187 -12.180 -3.490 2.446 1.00 0.00 H new ATOM 0 HB2 PHE A 187 -9.854 -2.077 1.050 1.00 0.00 H new ATOM 0 HB3 PHE A 187 -9.697 -3.440 2.140 1.00 0.00 H new ATOM 0 HD1 PHE A 187 -10.618 -5.665 1.526 1.00 0.00 H new ATOM 0 HD2 PHE A 187 -10.800 -2.344 -1.187 1.00 0.00 H new ATOM 0 HE1 PHE A 187 -11.167 -7.214 -0.328 1.00 0.00 H new ATOM 0 HE2 PHE A 187 -11.361 -3.887 -3.044 1.00 0.00 H new ATOM 0 HZ PHE A 187 -11.544 -6.326 -2.614 1.00 0.00 H new ATOM 866 N THR A 188 -11.585 -2.227 4.485 1.00 0.00 N ATOM 867 CA THR A 188 -11.404 -1.446 5.711 1.00 0.00 C ATOM 868 C THR A 188 -9.943 -1.039 5.896 1.00 0.00 C ATOM 869 O THR A 188 -9.639 -0.129 6.668 1.00 0.00 O ATOM 870 CB THR A 188 -11.876 -2.240 6.958 1.00 0.00 C ATOM 871 OG1 THR A 188 -10.748 -2.665 7.714 1.00 0.00 O ATOM 872 CG2 THR A 188 -12.690 -3.469 6.546 1.00 0.00 C ATOM 0 H THR A 188 -11.828 -3.206 4.638 1.00 0.00 H new ATOM 0 HA THR A 188 -12.014 -0.548 5.610 1.00 0.00 H new ATOM 0 HB THR A 188 -12.504 -1.584 7.560 1.00 0.00 H new ATOM 0 HG1 THR A 188 -10.982 -3.466 8.228 1.00 0.00 H new ATOM 0 HG21 THR A 188 -13.010 -4.009 7.437 1.00 0.00 H new ATOM 0 HG22 THR A 188 -13.566 -3.152 5.980 1.00 0.00 H new ATOM 0 HG23 THR A 188 -12.075 -4.122 5.927 1.00 0.00 H new ATOM 880 N GLY A 189 -9.042 -1.721 5.201 1.00 0.00 N ATOM 881 CA GLY A 189 -7.620 -1.421 5.317 1.00 0.00 C ATOM 882 C GLY A 189 -6.837 -2.027 4.166 1.00 0.00 C ATOM 883 O GLY A 189 -7.331 -2.912 3.466 1.00 0.00 O ATOM 0 H GLY A 189 -9.267 -2.479 4.557 1.00 0.00 H new ATOM 0 HA2 GLY A 189 -7.473 -0.341 5.332 1.00 0.00 H new ATOM 0 HA3 GLY A 189 -7.240 -1.807 6.263 1.00 0.00 H new ATOM 887 N VAL A 190 -5.611 -1.543 3.963 1.00 0.00 N ATOM 888 CA VAL A 190 -4.771 -2.051 2.877 1.00 0.00 C ATOM 889 C VAL A 190 -3.300 -2.134 3.281 1.00 0.00 C ATOM 890 O VAL A 190 -2.794 -1.284 4.013 1.00 0.00 O ATOM 891 CB VAL A 190 -4.927 -1.147 1.640 1.00 0.00 C ATOM 892 CG1 VAL A 190 -4.492 0.283 1.987 1.00 0.00 C ATOM 893 CG2 VAL A 190 -4.076 -1.681 0.456 1.00 0.00 C ATOM 0 H VAL A 190 -5.182 -0.810 4.528 1.00 0.00 H new ATOM 0 HA VAL A 190 -5.102 -3.063 2.643 1.00 0.00 H new ATOM 0 HB VAL A 190 -5.975 -1.148 1.340 1.00 0.00 H new ATOM 0 HG11 VAL A 190 -4.604 0.920 1.110 1.00 0.00 H new ATOM 0 HG12 VAL A 190 -5.114 0.667 2.796 1.00 0.00 H new ATOM 0 HG13 VAL A 190 -3.449 0.279 2.303 1.00 0.00 H new ATOM 0 HG21 VAL A 190 -4.202 -1.027 -0.407 1.00 0.00 H new ATOM 0 HG22 VAL A 190 -3.025 -1.703 0.744 1.00 0.00 H new ATOM 0 HG23 VAL A 190 -4.403 -2.688 0.198 1.00 0.00 H new ATOM 903 N GLU A 191 -2.619 -3.167 2.782 1.00 0.00 N ATOM 904 CA GLU A 191 -1.195 -3.372 3.066 1.00 0.00 C ATOM 905 C GLU A 191 -0.373 -3.161 1.798 1.00 0.00 C ATOM 906 O GLU A 191 -0.781 -3.573 0.710 1.00 0.00 O ATOM 907 CB GLU A 191 -0.970 -4.788 3.618 1.00 0.00 C ATOM 908 CG GLU A 191 -1.204 -5.859 2.545 1.00 0.00 C ATOM 909 CD GLU A 191 -0.918 -7.240 3.126 1.00 0.00 C ATOM 910 OE1 GLU A 191 -0.052 -7.333 3.982 1.00 0.00 O ATOM 911 OE2 GLU A 191 -1.567 -8.184 2.708 1.00 0.00 O ATOM 0 H GLU A 191 -3.031 -3.877 2.177 1.00 0.00 H new ATOM 0 HA GLU A 191 -0.873 -2.648 3.815 1.00 0.00 H new ATOM 0 HB2 GLU A 191 0.047 -4.872 4.000 1.00 0.00 H new ATOM 0 HB3 GLU A 191 -1.642 -4.962 4.458 1.00 0.00 H new ATOM 0 HG2 GLU A 191 -2.232 -5.810 2.187 1.00 0.00 H new ATOM 0 HG3 GLU A 191 -0.559 -5.674 1.686 1.00 0.00 H new ATOM 918 N PHE A 192 0.787 -2.525 1.940 1.00 0.00 N ATOM 919 CA PHE A 192 1.655 -2.279 0.790 1.00 0.00 C ATOM 920 C PHE A 192 3.112 -2.186 1.218 1.00 0.00 C ATOM 921 O PHE A 192 3.424 -1.711 2.309 1.00 0.00 O ATOM 922 CB PHE A 192 1.245 -0.993 0.065 1.00 0.00 C ATOM 923 CG PHE A 192 1.120 0.157 1.039 1.00 0.00 C ATOM 924 CD1 PHE A 192 0.040 0.209 1.930 1.00 0.00 C ATOM 925 CD2 PHE A 192 2.073 1.185 1.039 1.00 0.00 C ATOM 926 CE1 PHE A 192 -0.085 1.281 2.821 1.00 0.00 C ATOM 927 CE2 PHE A 192 1.948 2.257 1.927 1.00 0.00 C ATOM 928 CZ PHE A 192 0.869 2.306 2.818 1.00 0.00 C ATOM 0 H PHE A 192 1.145 -2.174 2.828 1.00 0.00 H new ATOM 0 HA PHE A 192 1.544 -3.121 0.106 1.00 0.00 H new ATOM 0 HB2 PHE A 192 1.984 -0.750 -0.699 1.00 0.00 H new ATOM 0 HB3 PHE A 192 0.295 -1.146 -0.447 1.00 0.00 H new ATOM 0 HD1 PHE A 192 -0.698 -0.580 1.929 1.00 0.00 H new ATOM 0 HD2 PHE A 192 2.905 1.149 0.352 1.00 0.00 H new ATOM 0 HE1 PHE A 192 -0.916 1.318 3.510 1.00 0.00 H new ATOM 0 HE2 PHE A 192 2.684 3.048 1.926 1.00 0.00 H new ATOM 0 HZ PHE A 192 0.772 3.135 3.503 1.00 0.00 H new ATOM 938 N VAL A 193 4.003 -2.652 0.343 1.00 0.00 N ATOM 939 CA VAL A 193 5.443 -2.627 0.627 1.00 0.00 C ATOM 940 C VAL A 193 6.110 -1.460 -0.089 1.00 0.00 C ATOM 941 O VAL A 193 5.674 -1.044 -1.163 1.00 0.00 O ATOM 942 CB VAL A 193 6.091 -3.938 0.166 1.00 0.00 C ATOM 943 CG1 VAL A 193 7.611 -3.859 0.356 1.00 0.00 C ATOM 944 CG2 VAL A 193 5.535 -5.098 0.994 1.00 0.00 C ATOM 0 H VAL A 193 3.758 -3.050 -0.564 1.00 0.00 H new ATOM 0 HA VAL A 193 5.577 -2.509 1.702 1.00 0.00 H new ATOM 0 HB VAL A 193 5.867 -4.100 -0.888 1.00 0.00 H new ATOM 0 HG11 VAL A 193 8.068 -4.792 0.027 1.00 0.00 H new ATOM 0 HG12 VAL A 193 8.009 -3.033 -0.233 1.00 0.00 H new ATOM 0 HG13 VAL A 193 7.838 -3.695 1.409 1.00 0.00 H new ATOM 0 HG21 VAL A 193 5.995 -6.031 0.668 1.00 0.00 H new ATOM 0 HG22 VAL A 193 5.758 -4.933 2.048 1.00 0.00 H new ATOM 0 HG23 VAL A 193 4.455 -5.158 0.857 1.00 0.00 H new ATOM 954 N CYS A 194 7.178 -0.941 0.514 1.00 0.00 N ATOM 955 CA CYS A 194 7.924 0.179 -0.064 1.00 0.00 C ATOM 956 C CYS A 194 9.364 -0.235 -0.347 1.00 0.00 C ATOM 957 O CYS A 194 9.904 -1.116 0.321 1.00 0.00 O ATOM 958 CB CYS A 194 7.920 1.364 0.903 1.00 0.00 C ATOM 959 SG CYS A 194 6.288 2.146 0.894 1.00 0.00 S ATOM 0 H CYS A 194 7.548 -1.277 1.403 1.00 0.00 H new ATOM 0 HA CYS A 194 7.444 0.469 -0.998 1.00 0.00 H new ATOM 0 HB2 CYS A 194 8.168 1.026 1.909 1.00 0.00 H new ATOM 0 HB3 CYS A 194 8.683 2.087 0.613 1.00 0.00 H new ATOM 964 N CYS A 195 9.987 0.407 -1.336 1.00 0.00 N ATOM 965 CA CYS A 195 11.374 0.093 -1.695 1.00 0.00 C ATOM 966 C CYS A 195 12.143 1.378 -2.048 1.00 0.00 C ATOM 967 O CYS A 195 11.562 2.314 -2.596 1.00 0.00 O ATOM 968 CB CYS A 195 11.382 -0.869 -2.888 1.00 0.00 C ATOM 969 SG CYS A 195 11.010 -2.543 -2.302 1.00 0.00 S ATOM 0 H CYS A 195 9.559 1.142 -1.900 1.00 0.00 H new ATOM 0 HA CYS A 195 11.866 -0.377 -0.843 1.00 0.00 H new ATOM 0 HB2 CYS A 195 10.645 -0.557 -3.628 1.00 0.00 H new ATOM 0 HB3 CYS A 195 12.355 -0.850 -3.380 1.00 0.00 H new ATOM 974 N PRO A 196 13.425 1.454 -1.742 1.00 0.00 N ATOM 975 CA PRO A 196 14.253 2.668 -2.037 1.00 0.00 C ATOM 976 C PRO A 196 14.624 2.780 -3.516 1.00 0.00 C ATOM 977 O PRO A 196 15.411 3.645 -3.901 1.00 0.00 O ATOM 978 CB PRO A 196 15.501 2.455 -1.174 1.00 0.00 C ATOM 979 CG PRO A 196 15.659 0.972 -1.120 1.00 0.00 C ATOM 980 CD PRO A 196 14.237 0.405 -1.086 1.00 0.00 C ATOM 0 HA PRO A 196 13.720 3.593 -1.818 1.00 0.00 H new ATOM 0 HB2 PRO A 196 16.376 2.933 -1.614 1.00 0.00 H new ATOM 0 HB3 PRO A 196 15.374 2.879 -0.178 1.00 0.00 H new ATOM 0 HG2 PRO A 196 16.206 0.605 -1.988 1.00 0.00 H new ATOM 0 HG3 PRO A 196 16.222 0.670 -0.237 1.00 0.00 H new ATOM 0 HD2 PRO A 196 14.171 -0.544 -1.619 1.00 0.00 H new ATOM 0 HD3 PRO A 196 13.904 0.221 -0.065 1.00 0.00 H new ATOM 988 N ASN A 197 14.058 1.906 -4.336 1.00 0.00 N ATOM 989 CA ASN A 197 14.342 1.924 -5.765 1.00 0.00 C ATOM 990 C ASN A 197 14.234 3.346 -6.311 1.00 0.00 C ATOM 991 O ASN A 197 13.120 3.791 -6.532 1.00 0.00 O ATOM 992 CB ASN A 197 13.355 1.010 -6.496 1.00 0.00 C ATOM 993 CG ASN A 197 13.763 -0.450 -6.340 1.00 0.00 C ATOM 994 OD1 ASN A 197 14.875 -0.746 -5.904 1.00 0.00 O ATOM 995 ND2 ASN A 197 12.917 -1.387 -6.673 1.00 0.00 N ATOM 996 OXT ASN A 197 15.267 3.968 -6.497 1.00 0.00 O ATOM 0 H ASN A 197 13.405 1.181 -4.040 1.00 0.00 H new ATOM 0 HA ASN A 197 15.358 1.565 -5.928 1.00 0.00 H new ATOM 0 HB2 ASN A 197 12.351 1.158 -6.098 1.00 0.00 H new ATOM 0 HB3 ASN A 197 13.321 1.273 -7.553 1.00 0.00 H new ATOM 0 HD21 ASN A 197 13.177 -2.368 -6.572 1.00 0.00 H new ATOM 0 HD22 ASN A 197 11.996 -1.138 -7.034 1.00 0.00 H new TER 1003 ASN A 197