USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 414 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 NoAdj-H: A 147 HIS HE2 : A 147 HIS NE2 : A 330 ZNZN :(H bumps) USER MOD NoAdj-H: A 169 HIS HE2 : A 169 HIS NE2 : A 530 ZNZN :(H bumps) USER MOD Set 1.1: A 141 ASN : amide:sc= -1.86 K(o=-2.6,f=-3.7!) USER MOD Set 1.2: A 157 GLN :FLIP amide:sc= -0.769 F(o=-6!,f=-2.6) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 134 SER OG : rot 29:sc= 0.299 USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 140 TYR OH : rot 180:sc= 0 USER MOD Single : A 148 HIS : no HE2:sc= -0.16 K(o=-0.16,f=-1.4) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 159 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 HIS :FLIP no HE2:sc= -4.07! C(o=-6.7!,f=-4.1!) USER MOD Single : A 165 GLN : amide:sc= 0 X(o=0,f=0.055) USER MOD Single : A 166 SER OG : rot 180:sc=-0.00293 USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD Single : A 170 MET CE :methyl -138:sc= -1.81 (180deg=-2.27!) USER MOD Single : A 173 SER OG : rot 180:sc= 0 USER MOD Single : A 177 LYS NZ :NH3+ -170:sc= 0.0228 (180deg=0.0107) USER MOD Single : A 179 GLN : amide:sc= -0.0431 K(o=-0.043,f=-0.68) USER MOD Single : A 180 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 183 SER OG : rot 180:sc= 0 USER MOD Single : A 185 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 187 SER OG : rot 16:sc= 0.313 USER MOD Single : A 190 SER OG : rot 180:sc= 0 USER MOD Single : A 191 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 130 -21.694 14.542 -16.212 1.00 0.00 N ATOM 2 CA GLY A 130 -22.988 13.899 -16.083 1.00 0.00 C ATOM 3 C GLY A 130 -23.048 12.947 -14.905 1.00 0.00 C ATOM 4 O GLY A 130 -22.138 12.915 -14.077 1.00 0.00 O ATOM 0 HA2 GLY A 130 -23.759 14.661 -15.970 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -23.212 13.353 -16.999 1.00 0.00 H new ATOM 8 N SER A 131 -24.124 12.171 -14.828 1.00 0.00 N ATOM 9 CA SER A 131 -24.303 11.218 -13.738 1.00 0.00 C ATOM 10 C SER A 131 -23.375 10.019 -13.908 1.00 0.00 C ATOM 11 O SER A 131 -23.387 9.352 -14.943 1.00 0.00 O ATOM 12 CB SER A 131 -25.757 10.747 -13.677 1.00 0.00 C ATOM 13 OG SER A 131 -26.630 11.823 -13.382 1.00 0.00 O ATOM 0 H SER A 131 -24.885 12.183 -15.507 1.00 0.00 H new ATOM 0 HA SER A 131 -24.052 11.721 -12.804 1.00 0.00 H new ATOM 0 HB2 SER A 131 -26.037 10.298 -14.630 1.00 0.00 H new ATOM 0 HB3 SER A 131 -25.860 9.972 -12.917 1.00 0.00 H new ATOM 0 HG SER A 131 -27.553 11.496 -13.350 1.00 0.00 H new ATOM 19 N SER A 132 -22.570 9.751 -12.884 1.00 0.00 N ATOM 20 CA SER A 132 -21.633 8.635 -12.920 1.00 0.00 C ATOM 21 C SER A 132 -21.674 7.848 -11.614 1.00 0.00 C ATOM 22 O SER A 132 -22.171 8.334 -10.599 1.00 0.00 O ATOM 23 CB SER A 132 -20.213 9.143 -13.178 1.00 0.00 C ATOM 24 OG SER A 132 -19.980 9.326 -14.564 1.00 0.00 O ATOM 0 H SER A 132 -22.548 10.292 -12.020 1.00 0.00 H new ATOM 0 HA SER A 132 -21.928 7.971 -13.733 1.00 0.00 H new ATOM 0 HB2 SER A 132 -20.060 10.086 -12.653 1.00 0.00 H new ATOM 0 HB3 SER A 132 -19.491 8.433 -12.775 1.00 0.00 H new ATOM 0 HG SER A 132 -19.066 9.653 -14.702 1.00 0.00 H new ATOM 30 N GLY A 133 -21.148 6.627 -11.649 1.00 0.00 N ATOM 31 CA GLY A 133 -21.135 5.791 -10.462 1.00 0.00 C ATOM 32 C GLY A 133 -20.131 6.266 -9.430 1.00 0.00 C ATOM 33 O GLY A 133 -18.923 6.138 -9.625 1.00 0.00 O ATOM 0 H GLY A 133 -20.731 6.202 -12.477 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -22.130 5.780 -10.018 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -20.902 4.765 -10.746 1.00 0.00 H new ATOM 37 N SER A 134 -20.633 6.817 -8.329 1.00 0.00 N ATOM 38 CA SER A 134 -19.771 7.317 -7.264 1.00 0.00 C ATOM 39 C SER A 134 -20.534 7.408 -5.946 1.00 0.00 C ATOM 40 O SER A 134 -21.576 8.059 -5.863 1.00 0.00 O ATOM 41 CB SER A 134 -19.209 8.690 -7.637 1.00 0.00 C ATOM 42 OG SER A 134 -20.247 9.642 -7.791 1.00 0.00 O ATOM 0 H SER A 134 -21.631 6.928 -8.151 1.00 0.00 H new ATOM 0 HA SER A 134 -18.946 6.616 -7.138 1.00 0.00 H new ATOM 0 HB2 SER A 134 -18.516 9.025 -6.865 1.00 0.00 H new ATOM 0 HB3 SER A 134 -18.641 8.614 -8.564 1.00 0.00 H new ATOM 0 HG SER A 134 -21.003 9.398 -7.217 1.00 0.00 H new ATOM 48 N SER A 135 -20.007 6.752 -4.918 1.00 0.00 N ATOM 49 CA SER A 135 -20.640 6.755 -3.604 1.00 0.00 C ATOM 50 C SER A 135 -19.604 6.549 -2.502 1.00 0.00 C ATOM 51 O SER A 135 -18.742 5.677 -2.600 1.00 0.00 O ATOM 52 CB SER A 135 -21.708 5.662 -3.526 1.00 0.00 C ATOM 53 OG SER A 135 -22.545 5.847 -2.398 1.00 0.00 O ATOM 0 H SER A 135 -19.143 6.212 -4.969 1.00 0.00 H new ATOM 0 HA SER A 135 -21.113 7.726 -3.458 1.00 0.00 H new ATOM 0 HB2 SER A 135 -22.310 5.672 -4.435 1.00 0.00 H new ATOM 0 HB3 SER A 135 -21.229 4.684 -3.471 1.00 0.00 H new ATOM 0 HG SER A 135 -23.220 5.137 -2.372 1.00 0.00 H new ATOM 59 N GLY A 136 -19.697 7.360 -1.453 1.00 0.00 N ATOM 60 CA GLY A 136 -18.763 7.252 -0.347 1.00 0.00 C ATOM 61 C GLY A 136 -17.318 7.283 -0.804 1.00 0.00 C ATOM 62 O GLY A 136 -16.491 6.509 -0.322 1.00 0.00 O ATOM 0 H GLY A 136 -20.402 8.090 -1.349 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -18.937 8.069 0.353 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -18.950 6.324 0.193 1.00 0.00 H new ATOM 66 N ASP A 137 -17.013 8.179 -1.736 1.00 0.00 N ATOM 67 CA ASP A 137 -15.658 8.308 -2.259 1.00 0.00 C ATOM 68 C ASP A 137 -14.859 9.327 -1.453 1.00 0.00 C ATOM 69 O ASP A 137 -14.851 10.516 -1.772 1.00 0.00 O ATOM 70 CB ASP A 137 -15.693 8.719 -3.732 1.00 0.00 C ATOM 71 CG ASP A 137 -16.834 8.066 -4.488 1.00 0.00 C ATOM 72 OD1 ASP A 137 -17.956 8.615 -4.458 1.00 0.00 O ATOM 73 OD2 ASP A 137 -16.606 7.007 -5.109 1.00 0.00 O ATOM 0 H ASP A 137 -17.686 8.827 -2.145 1.00 0.00 H new ATOM 0 HA ASP A 137 -15.168 7.338 -2.172 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -15.788 9.803 -3.802 1.00 0.00 H new ATOM 0 HB3 ASP A 137 -14.748 8.451 -4.204 1.00 0.00 H new ATOM 78 N ARG A 138 -14.190 8.853 -0.407 1.00 0.00 N ATOM 79 CA ARG A 138 -13.390 9.724 0.446 1.00 0.00 C ATOM 80 C ARG A 138 -12.059 9.067 0.798 1.00 0.00 C ATOM 81 O ARG A 138 -11.934 7.842 0.778 1.00 0.00 O ATOM 82 CB ARG A 138 -14.157 10.064 1.726 1.00 0.00 C ATOM 83 CG ARG A 138 -15.075 11.267 1.584 1.00 0.00 C ATOM 84 CD ARG A 138 -15.860 11.522 2.862 1.00 0.00 C ATOM 85 NE ARG A 138 -17.166 12.116 2.592 1.00 0.00 N ATOM 86 CZ ARG A 138 -17.864 12.798 3.494 1.00 0.00 C ATOM 87 NH1 ARG A 138 -17.382 12.971 4.717 1.00 0.00 N ATOM 88 NH2 ARG A 138 -19.045 13.309 3.172 1.00 0.00 N ATOM 0 H ARG A 138 -14.186 7.871 -0.130 1.00 0.00 H new ATOM 0 HA ARG A 138 -13.188 10.643 -0.104 1.00 0.00 H new ATOM 0 HB2 ARG A 138 -14.749 9.199 2.025 1.00 0.00 H new ATOM 0 HB3 ARG A 138 -13.443 10.255 2.527 1.00 0.00 H new ATOM 0 HG2 ARG A 138 -14.485 12.149 1.336 1.00 0.00 H new ATOM 0 HG3 ARG A 138 -15.766 11.103 0.757 1.00 0.00 H new ATOM 0 HD2 ARG A 138 -15.993 10.583 3.399 1.00 0.00 H new ATOM 0 HD3 ARG A 138 -15.288 12.184 3.513 1.00 0.00 H new ATOM 0 HE ARG A 138 -17.564 12.001 1.660 1.00 0.00 H new ATOM 0 HH11 ARG A 138 -16.474 12.580 4.967 1.00 0.00 H new ATOM 0 HH12 ARG A 138 -17.920 13.495 5.408 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -19.418 13.179 2.232 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -19.580 13.832 3.865 1.00 0.00 H new ATOM 102 N CYS A 139 -11.065 9.889 1.119 1.00 0.00 N ATOM 103 CA CYS A 139 -9.743 9.389 1.474 1.00 0.00 C ATOM 104 C CYS A 139 -9.739 8.817 2.888 1.00 0.00 C ATOM 105 O CYS A 139 -10.104 9.499 3.846 1.00 0.00 O ATOM 106 CB CYS A 139 -8.705 10.508 1.362 1.00 0.00 C ATOM 107 SG CYS A 139 -7.119 10.135 2.177 1.00 0.00 S ATOM 0 H CYS A 139 -11.151 10.905 1.140 1.00 0.00 H new ATOM 0 HA CYS A 139 -9.485 8.591 0.778 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -8.520 10.713 0.308 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -9.119 11.418 1.796 1.00 0.00 H new ATOM 112 N TYR A 140 -9.324 7.561 3.011 1.00 0.00 N ATOM 113 CA TYR A 140 -9.275 6.895 4.308 1.00 0.00 C ATOM 114 C TYR A 140 -7.913 7.087 4.967 1.00 0.00 C ATOM 115 O TYR A 140 -7.380 6.172 5.594 1.00 0.00 O ATOM 116 CB TYR A 140 -9.573 5.403 4.150 1.00 0.00 C ATOM 117 CG TYR A 140 -8.423 4.615 3.565 1.00 0.00 C ATOM 118 CD1 TYR A 140 -8.225 4.553 2.191 1.00 0.00 C ATOM 119 CD2 TYR A 140 -7.533 3.933 4.386 1.00 0.00 C ATOM 120 CE1 TYR A 140 -7.176 3.833 1.652 1.00 0.00 C ATOM 121 CE2 TYR A 140 -6.481 3.212 3.856 1.00 0.00 C ATOM 122 CZ TYR A 140 -6.307 3.165 2.489 1.00 0.00 C ATOM 123 OH TYR A 140 -5.260 2.448 1.956 1.00 0.00 O ATOM 0 H TYR A 140 -9.017 6.983 2.229 1.00 0.00 H new ATOM 0 HA TYR A 140 -10.034 7.344 4.948 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -9.829 4.987 5.124 1.00 0.00 H new ATOM 0 HB3 TYR A 140 -10.448 5.281 3.511 1.00 0.00 H new ATOM 0 HD1 TYR A 140 -8.903 5.077 1.533 1.00 0.00 H new ATOM 0 HD2 TYR A 140 -7.666 3.967 5.457 1.00 0.00 H new ATOM 0 HE1 TYR A 140 -7.037 3.794 0.582 1.00 0.00 H new ATOM 0 HE2 TYR A 140 -5.798 2.688 4.509 1.00 0.00 H new ATOM 0 HH TYR A 140 -4.742 2.038 2.680 1.00 0.00 H new ATOM 133 N ASN A 141 -7.355 8.284 4.819 1.00 0.00 N ATOM 134 CA ASN A 141 -6.054 8.598 5.400 1.00 0.00 C ATOM 135 C ASN A 141 -6.109 9.906 6.183 1.00 0.00 C ATOM 136 O ASN A 141 -5.775 9.947 7.368 1.00 0.00 O ATOM 137 CB ASN A 141 -4.992 8.692 4.303 1.00 0.00 C ATOM 138 CG ASN A 141 -3.581 8.668 4.860 1.00 0.00 C ATOM 139 OD1 ASN A 141 -3.296 9.287 5.885 1.00 0.00 O ATOM 140 ND2 ASN A 141 -2.691 7.951 4.185 1.00 0.00 N ATOM 0 H ASN A 141 -7.783 9.052 4.302 1.00 0.00 H new ATOM 0 HA ASN A 141 -5.788 7.795 6.087 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -5.119 7.863 3.606 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -5.140 9.611 3.736 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -1.726 7.897 4.511 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -2.972 7.454 3.340 1.00 0.00 H new ATOM 147 N CYS A 142 -6.533 10.972 5.514 1.00 0.00 N ATOM 148 CA CYS A 142 -6.633 12.282 6.146 1.00 0.00 C ATOM 149 C CYS A 142 -8.085 12.746 6.212 1.00 0.00 C ATOM 150 O CYS A 142 -8.541 13.252 7.236 1.00 0.00 O ATOM 151 CB CYS A 142 -5.793 13.307 5.380 1.00 0.00 C ATOM 152 SG CYS A 142 -6.417 13.679 3.709 1.00 0.00 S ATOM 0 H CYS A 142 -6.813 10.955 4.533 1.00 0.00 H new ATOM 0 HA CYS A 142 -6.251 12.196 7.163 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -5.753 14.232 5.956 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -4.771 12.937 5.301 1.00 0.00 H new ATOM 157 N GLY A 143 -8.808 12.568 5.110 1.00 0.00 N ATOM 158 CA GLY A 143 -10.201 12.972 5.062 1.00 0.00 C ATOM 159 C GLY A 143 -10.472 13.991 3.973 1.00 0.00 C ATOM 160 O GLY A 143 -11.267 14.912 4.158 1.00 0.00 O ATOM 0 H GLY A 143 -8.453 12.151 4.249 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -10.825 12.094 4.897 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -10.488 13.391 6.027 1.00 0.00 H new ATOM 164 N GLY A 144 -9.808 13.827 2.833 1.00 0.00 N ATOM 165 CA GLY A 144 -9.994 14.748 1.727 1.00 0.00 C ATOM 166 C GLY A 144 -11.196 14.395 0.874 1.00 0.00 C ATOM 167 O GLY A 144 -11.381 13.236 0.498 1.00 0.00 O ATOM 0 H GLY A 144 -9.145 13.073 2.656 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -10.113 15.759 2.116 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -9.099 14.749 1.105 1.00 0.00 H new ATOM 171 N LEU A 145 -12.017 15.393 0.568 1.00 0.00 N ATOM 172 CA LEU A 145 -13.210 15.182 -0.245 1.00 0.00 C ATOM 173 C LEU A 145 -12.897 15.361 -1.727 1.00 0.00 C ATOM 174 O LEU A 145 -13.334 14.571 -2.564 1.00 0.00 O ATOM 175 CB LEU A 145 -14.316 16.152 0.175 1.00 0.00 C ATOM 176 CG LEU A 145 -14.634 16.199 1.670 1.00 0.00 C ATOM 177 CD1 LEU A 145 -15.582 17.348 1.977 1.00 0.00 C ATOM 178 CD2 LEU A 145 -15.229 14.877 2.131 1.00 0.00 C ATOM 0 H LEU A 145 -11.879 16.357 0.871 1.00 0.00 H new ATOM 0 HA LEU A 145 -13.552 14.160 -0.085 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -14.035 17.154 -0.148 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -15.227 15.888 -0.362 1.00 0.00 H new ATOM 0 HG LEU A 145 -13.705 16.365 2.215 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -15.797 17.366 3.045 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -15.119 18.290 1.684 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -16.510 17.212 1.422 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -15.449 14.929 3.197 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -16.149 14.680 1.580 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -14.516 14.073 1.946 1.00 0.00 H new ATOM 190 N ASP A 146 -12.136 16.403 -2.044 1.00 0.00 N ATOM 191 CA ASP A 146 -11.761 16.685 -3.425 1.00 0.00 C ATOM 192 C ASP A 146 -10.778 15.640 -3.945 1.00 0.00 C ATOM 193 O ASP A 146 -10.939 15.115 -5.047 1.00 0.00 O ATOM 194 CB ASP A 146 -11.146 18.081 -3.535 1.00 0.00 C ATOM 195 CG ASP A 146 -9.790 18.171 -2.863 1.00 0.00 C ATOM 196 OD1 ASP A 146 -9.751 18.340 -1.627 1.00 0.00 O ATOM 197 OD2 ASP A 146 -8.768 18.073 -3.574 1.00 0.00 O ATOM 0 H ASP A 146 -11.767 17.067 -1.363 1.00 0.00 H new ATOM 0 HA ASP A 146 -12.663 16.645 -4.036 1.00 0.00 H new ATOM 0 HB2 ASP A 146 -11.045 18.349 -4.587 1.00 0.00 H new ATOM 0 HB3 ASP A 146 -11.821 18.809 -3.084 1.00 0.00 H new ATOM 202 N HIS A 147 -9.759 15.344 -3.145 1.00 0.00 N ATOM 203 CA HIS A 147 -8.749 14.362 -3.524 1.00 0.00 C ATOM 204 C HIS A 147 -9.081 12.990 -2.945 1.00 0.00 C ATOM 205 O HIS A 147 -9.727 12.884 -1.902 1.00 0.00 O ATOM 206 CB HIS A 147 -7.368 14.810 -3.047 1.00 0.00 C ATOM 207 CG HIS A 147 -7.085 14.459 -1.619 1.00 0.00 C ATOM 208 ND1 HIS A 147 -7.014 15.399 -0.612 1.00 0.00 N ATOM 209 CD2 HIS A 147 -6.856 13.261 -1.030 1.00 0.00 C ATOM 210 CE1 HIS A 147 -6.752 14.795 0.533 1.00 0.00 C ATOM 211 NE2 HIS A 147 -6.652 13.498 0.307 1.00 0.00 N ATOM 0 H HIS A 147 -9.611 15.770 -2.230 1.00 0.00 H new ATOM 0 HA HIS A 147 -8.742 14.285 -4.611 1.00 0.00 H new ATOM 0 HB2 HIS A 147 -6.608 14.355 -3.682 1.00 0.00 H new ATOM 0 HB3 HIS A 147 -7.282 15.890 -3.171 1.00 0.00 H new ATOM 0 HD1 HIS A 147 -7.144 16.404 -0.733 1.00 0.00 H new ATOM 0 HD2 HIS A 147 -6.837 12.299 -1.520 1.00 0.00 H new ATOM 0 HE1 HIS A 147 -6.639 15.280 1.491 1.00 0.00 H new ATOM 219 N HIS A 148 -8.635 11.941 -3.629 1.00 0.00 N ATOM 220 CA HIS A 148 -8.885 10.575 -3.182 1.00 0.00 C ATOM 221 C HIS A 148 -7.654 9.995 -2.492 1.00 0.00 C ATOM 222 O HIS A 148 -6.528 10.423 -2.747 1.00 0.00 O ATOM 223 CB HIS A 148 -9.282 9.693 -4.367 1.00 0.00 C ATOM 224 CG HIS A 148 -10.700 9.888 -4.809 1.00 0.00 C ATOM 225 ND1 HIS A 148 -11.045 10.245 -6.095 1.00 0.00 N ATOM 226 CD2 HIS A 148 -11.864 9.771 -4.128 1.00 0.00 C ATOM 227 CE1 HIS A 148 -12.359 10.341 -6.186 1.00 0.00 C ATOM 228 NE2 HIS A 148 -12.880 10.058 -5.005 1.00 0.00 N ATOM 0 H HIS A 148 -8.099 12.011 -4.494 1.00 0.00 H new ATOM 0 HA HIS A 148 -9.705 10.598 -2.464 1.00 0.00 H new ATOM 0 HB2 HIS A 148 -8.617 9.903 -5.205 1.00 0.00 H new ATOM 0 HB3 HIS A 148 -9.135 8.647 -4.097 1.00 0.00 H new ATOM 0 HD1 HIS A 148 -10.388 10.409 -6.858 1.00 0.00 H new ATOM 0 HD2 HIS A 148 -11.973 9.502 -3.088 1.00 0.00 H new ATOM 0 HE1 HIS A 148 -12.913 10.606 -7.074 1.00 0.00 H new ATOM 236 N ALA A 149 -7.876 9.020 -1.617 1.00 0.00 N ATOM 237 CA ALA A 149 -6.785 8.382 -0.892 1.00 0.00 C ATOM 238 C ALA A 149 -5.591 8.130 -1.806 1.00 0.00 C ATOM 239 O ALA A 149 -4.448 8.411 -1.444 1.00 0.00 O ATOM 240 CB ALA A 149 -7.258 7.077 -0.268 1.00 0.00 C ATOM 0 H ALA A 149 -8.802 8.655 -1.393 1.00 0.00 H new ATOM 0 HA ALA A 149 -6.466 9.058 -0.098 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -6.433 6.611 0.270 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -8.075 7.280 0.425 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -7.606 6.404 -1.052 1.00 0.00 H new ATOM 246 N LYS A 150 -5.862 7.599 -2.993 1.00 0.00 N ATOM 247 CA LYS A 150 -4.810 7.309 -3.961 1.00 0.00 C ATOM 248 C LYS A 150 -3.998 8.562 -4.273 1.00 0.00 C ATOM 249 O LYS A 150 -2.791 8.604 -4.036 1.00 0.00 O ATOM 250 CB LYS A 150 -5.415 6.747 -5.249 1.00 0.00 C ATOM 251 CG LYS A 150 -6.331 5.556 -5.022 1.00 0.00 C ATOM 252 CD LYS A 150 -6.317 4.608 -6.209 1.00 0.00 C ATOM 253 CE LYS A 150 -7.167 5.137 -7.355 1.00 0.00 C ATOM 254 NZ LYS A 150 -8.615 4.860 -7.145 1.00 0.00 N ATOM 0 H LYS A 150 -6.802 7.360 -3.309 1.00 0.00 H new ATOM 0 HA LYS A 150 -4.144 6.565 -3.525 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -5.976 7.535 -5.751 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -4.609 6.452 -5.921 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -6.019 5.022 -4.125 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -7.348 5.906 -4.847 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -5.292 4.466 -6.551 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -6.688 3.631 -5.900 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -7.014 6.211 -7.455 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -6.842 4.680 -8.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -9.160 5.236 -7.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -8.765 3.833 -7.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -8.932 5.317 -6.266 1.00 0.00 H new ATOM 268 N GLU A 151 -4.669 9.580 -4.804 1.00 0.00 N ATOM 269 CA GLU A 151 -4.007 10.833 -5.147 1.00 0.00 C ATOM 270 C GLU A 151 -3.275 11.410 -3.939 1.00 0.00 C ATOM 271 O GLU A 151 -2.160 11.919 -4.060 1.00 0.00 O ATOM 272 CB GLU A 151 -5.027 11.847 -5.671 1.00 0.00 C ATOM 273 CG GLU A 151 -5.868 11.324 -6.823 1.00 0.00 C ATOM 274 CD GLU A 151 -5.185 11.495 -8.167 1.00 0.00 C ATOM 275 OE1 GLU A 151 -4.506 12.525 -8.360 1.00 0.00 O ATOM 276 OE2 GLU A 151 -5.330 10.599 -9.024 1.00 0.00 O ATOM 0 H GLU A 151 -5.669 9.561 -5.006 1.00 0.00 H new ATOM 0 HA GLU A 151 -3.276 10.626 -5.928 1.00 0.00 H new ATOM 0 HB2 GLU A 151 -5.687 12.141 -4.855 1.00 0.00 H new ATOM 0 HB3 GLU A 151 -4.501 12.745 -5.995 1.00 0.00 H new ATOM 0 HG2 GLU A 151 -6.084 10.268 -6.661 1.00 0.00 H new ATOM 0 HG3 GLU A 151 -6.825 11.846 -6.836 1.00 0.00 H new ATOM 283 N CYS A 152 -3.909 11.328 -2.775 1.00 0.00 N ATOM 284 CA CYS A 152 -3.320 11.841 -1.544 1.00 0.00 C ATOM 285 C CYS A 152 -1.804 11.667 -1.553 1.00 0.00 C ATOM 286 O CYS A 152 -1.283 10.691 -2.091 1.00 0.00 O ATOM 287 CB CYS A 152 -3.920 11.128 -0.330 1.00 0.00 C ATOM 288 SG CYS A 152 -3.726 12.037 1.236 1.00 0.00 S ATOM 0 H CYS A 152 -4.832 10.910 -2.658 1.00 0.00 H new ATOM 0 HA CYS A 152 -3.546 12.905 -1.479 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -4.981 10.958 -0.510 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -3.453 10.148 -0.230 1.00 0.00 H new ATOM 293 N LYS A 153 -1.101 12.621 -0.952 1.00 0.00 N ATOM 294 CA LYS A 153 0.354 12.575 -0.887 1.00 0.00 C ATOM 295 C LYS A 153 0.823 12.061 0.470 1.00 0.00 C ATOM 296 O LYS A 153 1.800 11.317 0.560 1.00 0.00 O ATOM 297 CB LYS A 153 0.942 13.964 -1.150 1.00 0.00 C ATOM 298 CG LYS A 153 0.787 14.428 -2.588 1.00 0.00 C ATOM 299 CD LYS A 153 1.978 14.018 -3.437 1.00 0.00 C ATOM 300 CE LYS A 153 1.770 12.648 -4.065 1.00 0.00 C ATOM 301 NZ LYS A 153 2.720 12.401 -5.185 1.00 0.00 N ATOM 0 H LYS A 153 -1.517 13.437 -0.502 1.00 0.00 H new ATOM 0 HA LYS A 153 0.705 11.887 -1.657 1.00 0.00 H new ATOM 0 HB2 LYS A 153 0.459 14.685 -0.490 1.00 0.00 H new ATOM 0 HB3 LYS A 153 2.001 13.956 -0.892 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -0.125 14.007 -3.011 1.00 0.00 H new ATOM 0 HG3 LYS A 153 0.678 15.512 -2.612 1.00 0.00 H new ATOM 0 HD2 LYS A 153 2.139 14.758 -4.221 1.00 0.00 H new ATOM 0 HD3 LYS A 153 2.877 14.004 -2.821 1.00 0.00 H new ATOM 0 HE2 LYS A 153 1.897 11.877 -3.305 1.00 0.00 H new ATOM 0 HE3 LYS A 153 0.747 12.569 -4.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 2.546 11.457 -5.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 2.582 13.121 -5.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 3.696 12.451 -4.830 1.00 0.00 H new ATOM 315 N LEU A 154 0.120 12.461 1.524 1.00 0.00 N ATOM 316 CA LEU A 154 0.463 12.040 2.878 1.00 0.00 C ATOM 317 C LEU A 154 0.921 10.585 2.896 1.00 0.00 C ATOM 318 O LEU A 154 0.608 9.799 2.001 1.00 0.00 O ATOM 319 CB LEU A 154 -0.737 12.220 3.809 1.00 0.00 C ATOM 320 CG LEU A 154 -0.978 13.639 4.327 1.00 0.00 C ATOM 321 CD1 LEU A 154 -2.316 13.725 5.044 1.00 0.00 C ATOM 322 CD2 LEU A 154 0.153 14.068 5.250 1.00 0.00 C ATOM 0 H LEU A 154 -0.691 13.077 1.467 1.00 0.00 H new ATOM 0 HA LEU A 154 1.284 12.665 3.229 1.00 0.00 H new ATOM 0 HB2 LEU A 154 -1.633 11.890 3.283 1.00 0.00 H new ATOM 0 HB3 LEU A 154 -0.609 11.559 4.666 1.00 0.00 H new ATOM 0 HG LEU A 154 -1.002 14.318 3.475 1.00 0.00 H new ATOM 0 HD11 LEU A 154 -2.470 14.742 5.406 1.00 0.00 H new ATOM 0 HD12 LEU A 154 -3.117 13.460 4.353 1.00 0.00 H new ATOM 0 HD13 LEU A 154 -2.322 13.035 5.888 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -0.035 15.080 5.609 1.00 0.00 H new ATOM 0 HD22 LEU A 154 0.209 13.386 6.099 1.00 0.00 H new ATOM 0 HD23 LEU A 154 1.096 14.046 4.704 1.00 0.00 H new ATOM 334 N PRO A 155 1.678 10.216 3.939 1.00 0.00 N ATOM 335 CA PRO A 155 2.193 8.853 4.100 1.00 0.00 C ATOM 336 C PRO A 155 1.090 7.850 4.421 1.00 0.00 C ATOM 337 O PRO A 155 0.419 7.937 5.449 1.00 0.00 O ATOM 338 CB PRO A 155 3.162 8.977 5.279 1.00 0.00 C ATOM 339 CG PRO A 155 2.668 10.149 6.054 1.00 0.00 C ATOM 340 CD PRO A 155 2.090 11.100 5.042 1.00 0.00 C ATOM 0 HA PRO A 155 2.657 8.482 3.186 1.00 0.00 H new ATOM 0 HB2 PRO A 155 3.163 8.072 5.887 1.00 0.00 H new ATOM 0 HB3 PRO A 155 4.185 9.132 4.936 1.00 0.00 H new ATOM 0 HG2 PRO A 155 1.914 9.847 6.781 1.00 0.00 H new ATOM 0 HG3 PRO A 155 3.479 10.618 6.612 1.00 0.00 H new ATOM 0 HD2 PRO A 155 1.245 11.655 5.449 1.00 0.00 H new ATOM 0 HD3 PRO A 155 2.826 11.835 4.715 1.00 0.00 H new ATOM 348 N PRO A 156 0.896 6.875 3.521 1.00 0.00 N ATOM 349 CA PRO A 156 -0.126 5.836 3.687 1.00 0.00 C ATOM 350 C PRO A 156 0.213 4.865 4.813 1.00 0.00 C ATOM 351 O PRO A 156 1.356 4.801 5.266 1.00 0.00 O ATOM 352 CB PRO A 156 -0.120 5.114 2.338 1.00 0.00 C ATOM 353 CG PRO A 156 1.246 5.347 1.789 1.00 0.00 C ATOM 354 CD PRO A 156 1.659 6.710 2.273 1.00 0.00 C ATOM 0 HA PRO A 156 -1.095 6.256 3.956 1.00 0.00 H new ATOM 0 HB2 PRO A 156 -0.322 4.050 2.458 1.00 0.00 H new ATOM 0 HB3 PRO A 156 -0.887 5.511 1.673 1.00 0.00 H new ATOM 0 HG2 PRO A 156 1.942 4.582 2.135 1.00 0.00 H new ATOM 0 HG3 PRO A 156 1.242 5.304 0.700 1.00 0.00 H new ATOM 0 HD2 PRO A 156 2.733 6.765 2.449 1.00 0.00 H new ATOM 0 HD3 PRO A 156 1.414 7.485 1.547 1.00 0.00 H new ATOM 362 N GLN A 157 -0.787 4.111 5.259 1.00 0.00 N ATOM 363 CA GLN A 157 -0.593 3.143 6.332 1.00 0.00 C ATOM 364 C GLN A 157 0.061 1.870 5.805 1.00 0.00 C ATOM 365 O GLN A 157 -0.068 1.516 4.633 1.00 0.00 O ATOM 366 CB GLN A 157 -1.932 2.808 6.992 1.00 0.00 C ATOM 367 CG GLN A 157 -2.622 4.011 7.613 1.00 0.00 C ATOM 368 CD GLN A 157 -3.468 4.777 6.615 1.00 0.00 C ATOM 369 OE1 GLN A 157 -3.205 6.073 6.487 1.00 0.00 O flip ATOM 370 NE2 GLN A 157 -4.349 4.212 5.967 1.00 0.00 N flip ATOM 0 H GLN A 157 -1.739 4.152 4.894 1.00 0.00 H new ATOM 0 HA GLN A 157 0.069 3.588 7.075 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -2.593 2.364 6.248 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -1.769 2.055 7.763 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -3.252 3.678 8.438 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -1.871 4.679 8.035 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -4.517 3.214 6.097 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -4.911 4.741 5.300 1.00 0.00 H new ATOM 379 N PRO A 158 0.781 1.164 6.690 1.00 0.00 N ATOM 380 CA PRO A 158 1.469 -0.081 6.337 1.00 0.00 C ATOM 381 C PRO A 158 0.497 -1.224 6.068 1.00 0.00 C ATOM 382 O PRO A 158 0.906 -2.372 5.893 1.00 0.00 O ATOM 383 CB PRO A 158 2.317 -0.380 7.576 1.00 0.00 C ATOM 384 CG PRO A 158 1.605 0.296 8.696 1.00 0.00 C ATOM 385 CD PRO A 158 0.977 1.527 8.104 1.00 0.00 C ATOM 0 HA PRO A 158 2.050 0.019 5.420 1.00 0.00 H new ATOM 0 HB2 PRO A 158 2.399 -1.453 7.750 1.00 0.00 H new ATOM 0 HB3 PRO A 158 3.331 0.003 7.463 1.00 0.00 H new ATOM 0 HG2 PRO A 158 0.848 -0.358 9.129 1.00 0.00 H new ATOM 0 HG3 PRO A 158 2.297 0.557 9.497 1.00 0.00 H new ATOM 0 HD2 PRO A 158 0.033 1.770 8.591 1.00 0.00 H new ATOM 0 HD3 PRO A 158 1.624 2.398 8.209 1.00 0.00 H new ATOM 393 N LYS A 159 -0.792 -0.904 6.035 1.00 0.00 N ATOM 394 CA LYS A 159 -1.823 -1.904 5.785 1.00 0.00 C ATOM 395 C LYS A 159 -1.502 -2.716 4.535 1.00 0.00 C ATOM 396 O LYS A 159 -0.446 -2.545 3.925 1.00 0.00 O ATOM 397 CB LYS A 159 -3.189 -1.230 5.632 1.00 0.00 C ATOM 398 CG LYS A 159 -3.709 -0.609 6.917 1.00 0.00 C ATOM 399 CD LYS A 159 -5.133 -0.105 6.756 1.00 0.00 C ATOM 400 CE LYS A 159 -5.695 0.408 8.073 1.00 0.00 C ATOM 401 NZ LYS A 159 -7.012 1.077 7.891 1.00 0.00 N ATOM 0 H LYS A 159 -1.148 0.041 6.178 1.00 0.00 H new ATOM 0 HA LYS A 159 -1.852 -2.581 6.639 1.00 0.00 H new ATOM 0 HB2 LYS A 159 -3.119 -0.457 4.867 1.00 0.00 H new ATOM 0 HB3 LYS A 159 -3.910 -1.966 5.276 1.00 0.00 H new ATOM 0 HG2 LYS A 159 -3.671 -1.346 7.719 1.00 0.00 H new ATOM 0 HG3 LYS A 159 -3.061 0.216 7.212 1.00 0.00 H new ATOM 0 HD2 LYS A 159 -5.156 0.693 6.014 1.00 0.00 H new ATOM 0 HD3 LYS A 159 -5.764 -0.909 6.379 1.00 0.00 H new ATOM 0 HE2 LYS A 159 -5.803 -0.423 8.770 1.00 0.00 H new ATOM 0 HE3 LYS A 159 -4.990 1.109 8.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 -7.361 1.412 8.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 -6.904 1.886 7.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 -7.692 0.401 7.488 1.00 0.00 H new ATOM 415 N LYS A 160 -2.419 -3.600 4.157 1.00 0.00 N ATOM 416 CA LYS A 160 -2.236 -4.437 2.978 1.00 0.00 C ATOM 417 C LYS A 160 -2.527 -3.652 1.703 1.00 0.00 C ATOM 418 O LYS A 160 -3.537 -2.954 1.608 1.00 0.00 O ATOM 419 CB LYS A 160 -3.146 -5.665 3.052 1.00 0.00 C ATOM 420 CG LYS A 160 -3.334 -6.365 1.717 1.00 0.00 C ATOM 421 CD LYS A 160 -3.575 -7.854 1.897 1.00 0.00 C ATOM 422 CE LYS A 160 -5.058 -8.167 2.026 1.00 0.00 C ATOM 423 NZ LYS A 160 -5.525 -8.070 3.437 1.00 0.00 N ATOM 0 H LYS A 160 -3.298 -3.755 4.651 1.00 0.00 H new ATOM 0 HA LYS A 160 -1.196 -4.764 2.954 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -2.729 -6.373 3.768 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -4.121 -5.362 3.434 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -4.177 -5.921 1.188 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -2.451 -6.211 1.097 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -3.160 -8.396 1.047 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -3.050 -8.204 2.786 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -5.630 -7.477 1.406 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -5.252 -9.171 1.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -6.540 -8.290 3.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -4.997 -8.746 4.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -5.364 -7.105 3.790 1.00 0.00 H new ATOM 437 N CYS A 161 -1.637 -3.772 0.723 1.00 0.00 N ATOM 438 CA CYS A 161 -1.798 -3.075 -0.547 1.00 0.00 C ATOM 439 C CYS A 161 -3.269 -3.009 -0.948 1.00 0.00 C ATOM 440 O CYS A 161 -3.955 -4.030 -1.004 1.00 0.00 O ATOM 441 CB CYS A 161 -0.990 -3.774 -1.642 1.00 0.00 C ATOM 442 SG CYS A 161 -1.352 -3.181 -3.326 1.00 0.00 S ATOM 0 H CYS A 161 -0.796 -4.346 0.785 1.00 0.00 H new ATOM 0 HA CYS A 161 -1.427 -2.057 -0.425 1.00 0.00 H new ATOM 0 HB2 CYS A 161 0.072 -3.635 -1.440 1.00 0.00 H new ATOM 0 HB3 CYS A 161 -1.186 -4.845 -1.596 1.00 0.00 H new ATOM 447 N HIS A 162 -3.746 -1.800 -1.227 1.00 0.00 N ATOM 448 CA HIS A 162 -5.135 -1.600 -1.624 1.00 0.00 C ATOM 449 C HIS A 162 -5.278 -1.642 -3.142 1.00 0.00 C ATOM 450 O HIS A 162 -6.066 -0.896 -3.723 1.00 0.00 O ATOM 451 CB HIS A 162 -5.654 -0.264 -1.089 1.00 0.00 C ATOM 452 CG HIS A 162 -5.219 0.916 -1.902 1.00 0.00 C ATOM 453 ND1 HIS A 162 -5.807 1.530 -2.955 1.00 0.00 N flip ATOM 454 CD2 HIS A 162 -4.046 1.602 -1.666 1.00 0.00 C flip ATOM 455 CE1 HIS A 162 -4.988 2.566 -3.331 1.00 0.00 C flip ATOM 456 NE2 HIS A 162 -3.933 2.588 -2.537 1.00 0.00 N flip ATOM 0 H HIS A 162 -3.192 -0.945 -1.186 1.00 0.00 H new ATOM 0 HA HIS A 162 -5.728 -2.409 -1.198 1.00 0.00 H new ATOM 0 HB2 HIS A 162 -6.743 -0.292 -1.059 1.00 0.00 H new ATOM 0 HB3 HIS A 162 -5.310 -0.135 -0.063 1.00 0.00 H new ATOM 0 HD1 HIS A 162 -6.693 1.271 -3.389 1.00 0.00 H new ATOM 0 HD2 HIS A 162 -3.332 1.369 -0.890 1.00 0.00 H new ATOM 0 HE1 HIS A 162 -5.176 3.252 -4.144 1.00 0.00 H new ATOM 464 N PHE A 163 -4.510 -2.520 -3.779 1.00 0.00 N ATOM 465 CA PHE A 163 -4.550 -2.659 -5.231 1.00 0.00 C ATOM 466 C PHE A 163 -4.660 -4.126 -5.634 1.00 0.00 C ATOM 467 O PHE A 163 -5.545 -4.506 -6.402 1.00 0.00 O ATOM 468 CB PHE A 163 -3.299 -2.039 -5.858 1.00 0.00 C ATOM 469 CG PHE A 163 -3.459 -1.710 -7.314 1.00 0.00 C ATOM 470 CD1 PHE A 163 -4.010 -0.502 -7.709 1.00 0.00 C ATOM 471 CD2 PHE A 163 -3.060 -2.610 -8.289 1.00 0.00 C ATOM 472 CE1 PHE A 163 -4.158 -0.196 -9.049 1.00 0.00 C ATOM 473 CE2 PHE A 163 -3.205 -2.310 -9.630 1.00 0.00 C ATOM 474 CZ PHE A 163 -3.756 -1.102 -10.011 1.00 0.00 C ATOM 0 H PHE A 163 -3.853 -3.146 -3.313 1.00 0.00 H new ATOM 0 HA PHE A 163 -5.431 -2.133 -5.597 1.00 0.00 H new ATOM 0 HB2 PHE A 163 -3.042 -1.130 -5.314 1.00 0.00 H new ATOM 0 HB3 PHE A 163 -2.463 -2.728 -5.739 1.00 0.00 H new ATOM 0 HD1 PHE A 163 -4.328 0.209 -6.961 1.00 0.00 H new ATOM 0 HD2 PHE A 163 -2.631 -3.557 -7.997 1.00 0.00 H new ATOM 0 HE1 PHE A 163 -4.587 0.750 -9.343 1.00 0.00 H new ATOM 0 HE2 PHE A 163 -2.888 -3.020 -10.380 1.00 0.00 H new ATOM 0 HZ PHE A 163 -3.872 -0.866 -11.059 1.00 0.00 H new ATOM 484 N CYS A 164 -3.756 -4.947 -5.110 1.00 0.00 N ATOM 485 CA CYS A 164 -3.749 -6.373 -5.415 1.00 0.00 C ATOM 486 C CYS A 164 -3.851 -7.202 -4.138 1.00 0.00 C ATOM 487 O CYS A 164 -4.027 -8.419 -4.190 1.00 0.00 O ATOM 488 CB CYS A 164 -2.477 -6.747 -6.179 1.00 0.00 C ATOM 489 SG CYS A 164 -0.964 -6.715 -5.165 1.00 0.00 S ATOM 0 H CYS A 164 -3.018 -4.649 -4.472 1.00 0.00 H new ATOM 0 HA CYS A 164 -4.616 -6.590 -6.039 1.00 0.00 H new ATOM 0 HB2 CYS A 164 -2.599 -7.745 -6.599 1.00 0.00 H new ATOM 0 HB3 CYS A 164 -2.354 -6.061 -7.017 1.00 0.00 H new ATOM 494 N GLN A 165 -3.739 -6.535 -2.995 1.00 0.00 N ATOM 495 CA GLN A 165 -3.818 -7.210 -1.705 1.00 0.00 C ATOM 496 C GLN A 165 -2.631 -8.148 -1.508 1.00 0.00 C ATOM 497 O GLN A 165 -2.802 -9.319 -1.170 1.00 0.00 O ATOM 498 CB GLN A 165 -5.126 -7.995 -1.596 1.00 0.00 C ATOM 499 CG GLN A 165 -6.334 -7.240 -2.127 1.00 0.00 C ATOM 500 CD GLN A 165 -6.991 -6.373 -1.072 1.00 0.00 C ATOM 501 OE1 GLN A 165 -6.708 -5.179 -0.969 1.00 0.00 O ATOM 502 NE2 GLN A 165 -7.874 -6.970 -0.279 1.00 0.00 N ATOM 0 H GLN A 165 -3.593 -5.527 -2.935 1.00 0.00 H new ATOM 0 HA GLN A 165 -3.792 -6.451 -0.924 1.00 0.00 H new ATOM 0 HB2 GLN A 165 -5.024 -8.932 -2.143 1.00 0.00 H new ATOM 0 HB3 GLN A 165 -5.299 -8.253 -0.551 1.00 0.00 H new ATOM 0 HG2 GLN A 165 -6.027 -6.615 -2.966 1.00 0.00 H new ATOM 0 HG3 GLN A 165 -7.063 -7.953 -2.511 1.00 0.00 H new ATOM 0 HE21 GLN A 165 -8.079 -7.962 -0.399 1.00 0.00 H new ATOM 0 HE22 GLN A 165 -8.347 -6.436 0.450 1.00 0.00 H new ATOM 511 N SER A 166 -1.428 -7.625 -1.722 1.00 0.00 N ATOM 512 CA SER A 166 -0.213 -8.416 -1.572 1.00 0.00 C ATOM 513 C SER A 166 0.625 -7.909 -0.402 1.00 0.00 C ATOM 514 O SER A 166 1.416 -6.977 -0.548 1.00 0.00 O ATOM 515 CB SER A 166 0.612 -8.373 -2.860 1.00 0.00 C ATOM 516 OG SER A 166 1.889 -8.956 -2.668 1.00 0.00 O ATOM 0 H SER A 166 -1.269 -6.657 -2.000 1.00 0.00 H new ATOM 0 HA SER A 166 -0.504 -9.447 -1.369 1.00 0.00 H new ATOM 0 HB2 SER A 166 0.083 -8.902 -3.652 1.00 0.00 H new ATOM 0 HB3 SER A 166 0.726 -7.340 -3.188 1.00 0.00 H new ATOM 0 HG SER A 166 2.396 -8.917 -3.506 1.00 0.00 H new ATOM 522 N ILE A 167 0.444 -8.530 0.759 1.00 0.00 N ATOM 523 CA ILE A 167 1.183 -8.143 1.955 1.00 0.00 C ATOM 524 C ILE A 167 2.663 -7.944 1.646 1.00 0.00 C ATOM 525 O ILE A 167 3.337 -7.132 2.280 1.00 0.00 O ATOM 526 CB ILE A 167 1.040 -9.195 3.070 1.00 0.00 C ATOM 527 CG1 ILE A 167 1.479 -10.570 2.563 1.00 0.00 C ATOM 528 CG2 ILE A 167 -0.395 -9.243 3.572 1.00 0.00 C ATOM 529 CD1 ILE A 167 1.538 -11.624 3.647 1.00 0.00 C ATOM 0 H ILE A 167 -0.207 -9.303 0.897 1.00 0.00 H new ATOM 0 HA ILE A 167 0.756 -7.201 2.299 1.00 0.00 H new ATOM 0 HB ILE A 167 1.686 -8.912 3.901 1.00 0.00 H new ATOM 0 HG12 ILE A 167 0.789 -10.899 1.785 1.00 0.00 H new ATOM 0 HG13 ILE A 167 2.462 -10.481 2.101 1.00 0.00 H new ATOM 0 HG21 ILE A 167 -0.480 -9.991 4.360 1.00 0.00 H new ATOM 0 HG22 ILE A 167 -0.675 -8.267 3.967 1.00 0.00 H new ATOM 0 HG23 ILE A 167 -1.060 -9.506 2.749 1.00 0.00 H new ATOM 0 HD11 ILE A 167 1.856 -12.573 3.215 1.00 0.00 H new ATOM 0 HD12 ILE A 167 2.249 -11.318 4.414 1.00 0.00 H new ATOM 0 HD13 ILE A 167 0.551 -11.742 4.094 1.00 0.00 H new ATOM 541 N SER A 168 3.163 -8.690 0.665 1.00 0.00 N ATOM 542 CA SER A 168 4.564 -8.597 0.272 1.00 0.00 C ATOM 543 C SER A 168 4.956 -7.149 -0.006 1.00 0.00 C ATOM 544 O SER A 168 5.686 -6.531 0.770 1.00 0.00 O ATOM 545 CB SER A 168 4.826 -9.455 -0.967 1.00 0.00 C ATOM 546 OG SER A 168 6.212 -9.530 -1.251 1.00 0.00 O ATOM 0 H SER A 168 2.618 -9.365 0.128 1.00 0.00 H new ATOM 0 HA SER A 168 5.172 -8.967 1.097 1.00 0.00 H new ATOM 0 HB2 SER A 168 4.429 -10.458 -0.809 1.00 0.00 H new ATOM 0 HB3 SER A 168 4.298 -9.034 -1.823 1.00 0.00 H new ATOM 0 HG SER A 168 6.353 -10.085 -2.046 1.00 0.00 H new ATOM 552 N HIS A 169 4.465 -6.613 -1.119 1.00 0.00 N ATOM 553 CA HIS A 169 4.762 -5.237 -1.501 1.00 0.00 C ATOM 554 C HIS A 169 3.610 -4.309 -1.128 1.00 0.00 C ATOM 555 O HIS A 169 2.561 -4.759 -0.668 1.00 0.00 O ATOM 556 CB HIS A 169 5.036 -5.150 -3.002 1.00 0.00 C ATOM 557 CG HIS A 169 3.801 -5.244 -3.843 1.00 0.00 C ATOM 558 ND1 HIS A 169 3.601 -6.238 -4.778 1.00 0.00 N ATOM 559 CD2 HIS A 169 2.697 -4.462 -3.886 1.00 0.00 C ATOM 560 CE1 HIS A 169 2.428 -6.062 -5.360 1.00 0.00 C ATOM 561 NE2 HIS A 169 1.859 -4.991 -4.836 1.00 0.00 N ATOM 0 H HIS A 169 3.860 -7.111 -1.772 1.00 0.00 H new ATOM 0 HA HIS A 169 5.652 -4.919 -0.958 1.00 0.00 H new ATOM 0 HB2 HIS A 169 5.541 -4.208 -3.217 1.00 0.00 H new ATOM 0 HB3 HIS A 169 5.720 -5.950 -3.285 1.00 0.00 H new ATOM 0 HD1 HIS A 169 4.256 -6.991 -4.987 1.00 0.00 H new ATOM 0 HD2 HIS A 169 2.510 -3.585 -3.285 1.00 0.00 H new ATOM 0 HE1 HIS A 169 2.006 -6.687 -6.133 1.00 0.00 H new ATOM 569 N MET A 170 3.814 -3.011 -1.328 1.00 0.00 N ATOM 570 CA MET A 170 2.792 -2.019 -1.012 1.00 0.00 C ATOM 571 C MET A 170 2.291 -1.334 -2.279 1.00 0.00 C ATOM 572 O MET A 170 2.953 -1.363 -3.317 1.00 0.00 O ATOM 573 CB MET A 170 3.345 -0.977 -0.039 1.00 0.00 C ATOM 574 CG MET A 170 3.467 -1.483 1.389 1.00 0.00 C ATOM 575 SD MET A 170 4.944 -2.485 1.648 1.00 0.00 S ATOM 576 CE MET A 170 4.213 -4.048 2.127 1.00 0.00 C ATOM 0 H MET A 170 4.677 -2.621 -1.707 1.00 0.00 H new ATOM 0 HA MET A 170 1.954 -2.534 -0.542 1.00 0.00 H new ATOM 0 HB2 MET A 170 4.326 -0.653 -0.386 1.00 0.00 H new ATOM 0 HB3 MET A 170 2.697 -0.101 -0.051 1.00 0.00 H new ATOM 0 HG2 MET A 170 3.485 -0.633 2.071 1.00 0.00 H new ATOM 0 HG3 MET A 170 2.585 -2.073 1.638 1.00 0.00 H new ATOM 0 HE1 MET A 170 4.778 -4.475 2.956 1.00 0.00 H new ATOM 0 HE2 MET A 170 3.180 -3.887 2.436 1.00 0.00 H new ATOM 0 HE3 MET A 170 4.236 -4.735 1.281 1.00 0.00 H new ATOM 586 N VAL A 171 1.117 -0.716 -2.188 1.00 0.00 N ATOM 587 CA VAL A 171 0.527 -0.023 -3.327 1.00 0.00 C ATOM 588 C VAL A 171 1.521 0.949 -3.953 1.00 0.00 C ATOM 589 O VAL A 171 1.424 1.278 -5.134 1.00 0.00 O ATOM 590 CB VAL A 171 -0.741 0.750 -2.918 1.00 0.00 C ATOM 591 CG1 VAL A 171 -0.392 1.889 -1.973 1.00 0.00 C ATOM 592 CG2 VAL A 171 -1.467 1.271 -4.149 1.00 0.00 C ATOM 0 H VAL A 171 0.556 -0.681 -1.337 1.00 0.00 H new ATOM 0 HA VAL A 171 0.259 -0.786 -4.058 1.00 0.00 H new ATOM 0 HB VAL A 171 -1.408 0.066 -2.393 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -1.301 2.423 -1.696 1.00 0.00 H new ATOM 0 HG12 VAL A 171 0.080 1.487 -1.077 1.00 0.00 H new ATOM 0 HG13 VAL A 171 0.295 2.575 -2.468 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -2.360 1.815 -3.842 1.00 0.00 H new ATOM 0 HG22 VAL A 171 -0.809 1.939 -4.704 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -1.753 0.433 -4.785 1.00 0.00 H new ATOM 602 N ALA A 172 2.478 1.406 -3.151 1.00 0.00 N ATOM 603 CA ALA A 172 3.492 2.339 -3.627 1.00 0.00 C ATOM 604 C ALA A 172 4.448 1.660 -4.602 1.00 0.00 C ATOM 605 O ALA A 172 4.961 2.292 -5.526 1.00 0.00 O ATOM 606 CB ALA A 172 4.262 2.926 -2.453 1.00 0.00 C ATOM 0 H ALA A 172 2.572 1.145 -2.169 1.00 0.00 H new ATOM 0 HA ALA A 172 2.987 3.147 -4.157 1.00 0.00 H new ATOM 0 HB1 ALA A 172 5.016 3.621 -2.823 1.00 0.00 H new ATOM 0 HB2 ALA A 172 3.573 3.455 -1.794 1.00 0.00 H new ATOM 0 HB3 ALA A 172 4.749 2.123 -1.900 1.00 0.00 H new ATOM 612 N SER A 173 4.685 0.369 -4.390 1.00 0.00 N ATOM 613 CA SER A 173 5.584 -0.394 -5.248 1.00 0.00 C ATOM 614 C SER A 173 4.796 -1.222 -6.259 1.00 0.00 C ATOM 615 O SER A 173 5.316 -1.597 -7.311 1.00 0.00 O ATOM 616 CB SER A 173 6.472 -1.310 -4.404 1.00 0.00 C ATOM 617 OG SER A 173 7.399 -0.558 -3.639 1.00 0.00 O ATOM 0 H SER A 173 4.267 -0.170 -3.632 1.00 0.00 H new ATOM 0 HA SER A 173 6.213 0.310 -5.792 1.00 0.00 H new ATOM 0 HB2 SER A 173 5.852 -1.912 -3.740 1.00 0.00 H new ATOM 0 HB3 SER A 173 7.008 -2.002 -5.054 1.00 0.00 H new ATOM 0 HG SER A 173 7.954 -1.166 -3.107 1.00 0.00 H new ATOM 623 N CYS A 174 3.539 -1.503 -5.934 1.00 0.00 N ATOM 624 CA CYS A 174 2.678 -2.286 -6.812 1.00 0.00 C ATOM 625 C CYS A 174 2.934 -1.939 -8.275 1.00 0.00 C ATOM 626 O CYS A 174 2.670 -0.826 -8.731 1.00 0.00 O ATOM 627 CB CYS A 174 1.207 -2.042 -6.468 1.00 0.00 C ATOM 628 SG CYS A 174 0.080 -3.346 -7.057 1.00 0.00 S ATOM 0 H CYS A 174 3.093 -1.200 -5.068 1.00 0.00 H new ATOM 0 HA CYS A 174 2.909 -3.340 -6.661 1.00 0.00 H new ATOM 0 HB2 CYS A 174 1.108 -1.952 -5.386 1.00 0.00 H new ATOM 0 HB3 CYS A 174 0.898 -1.089 -6.897 1.00 0.00 H new ATOM 633 N PRO A 175 3.461 -2.914 -9.031 1.00 0.00 N ATOM 634 CA PRO A 175 3.764 -2.736 -10.454 1.00 0.00 C ATOM 635 C PRO A 175 2.503 -2.624 -11.305 1.00 0.00 C ATOM 636 O PRO A 175 2.444 -1.827 -12.243 1.00 0.00 O ATOM 637 CB PRO A 175 4.539 -4.006 -10.813 1.00 0.00 C ATOM 638 CG PRO A 175 4.083 -5.021 -9.823 1.00 0.00 C ATOM 639 CD PRO A 175 3.801 -4.265 -8.554 1.00 0.00 C ATOM 0 HA PRO A 175 4.317 -1.815 -10.641 1.00 0.00 H new ATOM 0 HB2 PRO A 175 4.326 -4.325 -11.833 1.00 0.00 H new ATOM 0 HB3 PRO A 175 5.615 -3.845 -10.748 1.00 0.00 H new ATOM 0 HG2 PRO A 175 3.190 -5.537 -10.176 1.00 0.00 H new ATOM 0 HG3 PRO A 175 4.848 -5.781 -9.663 1.00 0.00 H new ATOM 0 HD2 PRO A 175 2.980 -4.712 -7.994 1.00 0.00 H new ATOM 0 HD3 PRO A 175 4.668 -4.252 -7.893 1.00 0.00 H new ATOM 647 N LEU A 176 1.497 -3.425 -10.973 1.00 0.00 N ATOM 648 CA LEU A 176 0.236 -3.415 -11.707 1.00 0.00 C ATOM 649 C LEU A 176 -0.323 -2.000 -11.808 1.00 0.00 C ATOM 650 O LEU A 176 -0.982 -1.649 -12.788 1.00 0.00 O ATOM 651 CB LEU A 176 -0.781 -4.331 -11.025 1.00 0.00 C ATOM 652 CG LEU A 176 -0.322 -5.765 -10.761 1.00 0.00 C ATOM 653 CD1 LEU A 176 -1.314 -6.486 -9.861 1.00 0.00 C ATOM 654 CD2 LEU A 176 -0.144 -6.518 -12.072 1.00 0.00 C ATOM 0 H LEU A 176 1.530 -4.090 -10.200 1.00 0.00 H new ATOM 0 HA LEU A 176 0.427 -3.783 -12.715 1.00 0.00 H new ATOM 0 HB2 LEU A 176 -1.065 -3.881 -10.074 1.00 0.00 H new ATOM 0 HB3 LEU A 176 -1.679 -4.366 -11.642 1.00 0.00 H new ATOM 0 HG LEU A 176 0.641 -5.730 -10.251 1.00 0.00 H new ATOM 0 HD11 LEU A 176 -0.971 -7.505 -9.684 1.00 0.00 H new ATOM 0 HD12 LEU A 176 -1.392 -5.959 -8.910 1.00 0.00 H new ATOM 0 HD13 LEU A 176 -2.291 -6.511 -10.343 1.00 0.00 H new ATOM 0 HD21 LEU A 176 0.183 -7.537 -11.865 1.00 0.00 H new ATOM 0 HD22 LEU A 176 -1.092 -6.543 -12.609 1.00 0.00 H new ATOM 0 HD23 LEU A 176 0.605 -6.014 -12.682 1.00 0.00 H new ATOM 666 N LYS A 177 -0.056 -1.189 -10.790 1.00 0.00 N ATOM 667 CA LYS A 177 -0.529 0.190 -10.764 1.00 0.00 C ATOM 668 C LYS A 177 0.420 1.105 -11.531 1.00 0.00 C ATOM 669 O LYS A 177 0.044 1.697 -12.542 1.00 0.00 O ATOM 670 CB LYS A 177 -0.667 0.676 -9.319 1.00 0.00 C ATOM 671 CG LYS A 177 -1.105 2.126 -9.205 1.00 0.00 C ATOM 672 CD LYS A 177 -0.630 2.751 -7.904 1.00 0.00 C ATOM 673 CE LYS A 177 0.779 3.309 -8.035 1.00 0.00 C ATOM 674 NZ LYS A 177 1.189 4.071 -6.823 1.00 0.00 N ATOM 0 H LYS A 177 0.486 -1.463 -9.971 1.00 0.00 H new ATOM 0 HA LYS A 177 -1.506 0.222 -11.247 1.00 0.00 H new ATOM 0 HB2 LYS A 177 -1.388 0.045 -8.800 1.00 0.00 H new ATOM 0 HB3 LYS A 177 0.289 0.553 -8.810 1.00 0.00 H new ATOM 0 HG2 LYS A 177 -0.710 2.694 -10.048 1.00 0.00 H new ATOM 0 HG3 LYS A 177 -2.192 2.184 -9.262 1.00 0.00 H new ATOM 0 HD2 LYS A 177 -1.313 3.549 -7.612 1.00 0.00 H new ATOM 0 HD3 LYS A 177 -0.654 2.004 -7.110 1.00 0.00 H new ATOM 0 HE2 LYS A 177 1.479 2.491 -8.204 1.00 0.00 H new ATOM 0 HE3 LYS A 177 0.832 3.959 -8.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 2.079 4.575 -7.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 0.448 4.758 -6.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 1.327 3.413 -6.030 1.00 0.00 H new ATOM 688 N ALA A 178 1.651 1.215 -11.044 1.00 0.00 N ATOM 689 CA ALA A 178 2.654 2.056 -11.686 1.00 0.00 C ATOM 690 C ALA A 178 2.654 1.853 -13.197 1.00 0.00 C ATOM 691 O ALA A 178 2.560 2.814 -13.961 1.00 0.00 O ATOM 692 CB ALA A 178 4.033 1.763 -11.113 1.00 0.00 C ATOM 0 H ALA A 178 1.978 0.732 -10.207 1.00 0.00 H new ATOM 0 HA ALA A 178 2.402 3.097 -11.485 1.00 0.00 H new ATOM 0 HB1 ALA A 178 4.772 2.398 -11.601 1.00 0.00 H new ATOM 0 HB2 ALA A 178 4.032 1.965 -10.042 1.00 0.00 H new ATOM 0 HB3 ALA A 178 4.284 0.716 -11.285 1.00 0.00 H new ATOM 698 N GLN A 179 2.761 0.598 -13.622 1.00 0.00 N ATOM 699 CA GLN A 179 2.774 0.272 -15.043 1.00 0.00 C ATOM 700 C GLN A 179 1.360 0.273 -15.615 1.00 0.00 C ATOM 701 O GLN A 179 0.966 -0.656 -16.320 1.00 0.00 O ATOM 702 CB GLN A 179 3.427 -1.093 -15.268 1.00 0.00 C ATOM 703 CG GLN A 179 4.945 -1.039 -15.331 1.00 0.00 C ATOM 704 CD GLN A 179 5.588 -2.387 -15.072 1.00 0.00 C ATOM 705 OE1 GLN A 179 5.170 -3.127 -14.181 1.00 0.00 O ATOM 706 NE2 GLN A 179 6.612 -2.714 -15.852 1.00 0.00 N ATOM 0 H GLN A 179 2.840 -0.209 -13.003 1.00 0.00 H new ATOM 0 HA GLN A 179 3.356 1.035 -15.560 1.00 0.00 H new ATOM 0 HB2 GLN A 179 3.129 -1.766 -14.464 1.00 0.00 H new ATOM 0 HB3 GLN A 179 3.048 -1.519 -16.197 1.00 0.00 H new ATOM 0 HG2 GLN A 179 5.251 -0.677 -16.312 1.00 0.00 H new ATOM 0 HG3 GLN A 179 5.310 -0.320 -14.598 1.00 0.00 H new ATOM 0 HE21 GLN A 179 6.926 -2.070 -16.578 1.00 0.00 H new ATOM 0 HE22 GLN A 179 7.085 -3.609 -15.725 1.00 0.00 H new ATOM 715 N GLN A 180 0.603 1.321 -15.306 1.00 0.00 N ATOM 716 CA GLN A 180 -0.767 1.441 -15.790 1.00 0.00 C ATOM 717 C GLN A 180 -0.803 1.517 -17.312 1.00 0.00 C ATOM 718 O GLN A 180 -0.445 2.536 -17.901 1.00 0.00 O ATOM 719 CB GLN A 180 -1.435 2.680 -15.189 1.00 0.00 C ATOM 720 CG GLN A 180 -0.650 3.962 -15.411 1.00 0.00 C ATOM 721 CD GLN A 180 -1.237 5.143 -14.664 1.00 0.00 C ATOM 722 OE1 GLN A 180 -0.575 5.752 -13.824 1.00 0.00 O ATOM 723 NE2 GLN A 180 -2.487 5.473 -14.967 1.00 0.00 N ATOM 0 H GLN A 180 0.915 2.098 -14.724 1.00 0.00 H new ATOM 0 HA GLN A 180 -1.315 0.553 -15.477 1.00 0.00 H new ATOM 0 HB2 GLN A 180 -2.429 2.793 -15.622 1.00 0.00 H new ATOM 0 HB3 GLN A 180 -1.569 2.527 -14.118 1.00 0.00 H new ATOM 0 HG2 GLN A 180 0.381 3.812 -15.092 1.00 0.00 H new ATOM 0 HG3 GLN A 180 -0.624 4.188 -16.477 1.00 0.00 H new ATOM 0 HE21 GLN A 180 -2.999 4.940 -15.670 1.00 0.00 H new ATOM 0 HE22 GLN A 180 -2.935 6.259 -14.497 1.00 0.00 H new ATOM 732 N GLY A 181 -1.237 0.431 -17.945 1.00 0.00 N ATOM 733 CA GLY A 181 -1.311 0.396 -19.393 1.00 0.00 C ATOM 734 C GLY A 181 -0.480 -0.723 -19.989 1.00 0.00 C ATOM 735 O GLY A 181 0.515 -1.162 -19.412 1.00 0.00 O ATOM 0 H GLY A 181 -1.539 -0.425 -17.480 1.00 0.00 H new ATOM 0 HA2 GLY A 181 -2.350 0.274 -19.698 1.00 0.00 H new ATOM 0 HA3 GLY A 181 -0.971 1.351 -19.794 1.00 0.00 H new ATOM 739 N PRO A 182 -0.891 -1.205 -21.172 1.00 0.00 N ATOM 740 CA PRO A 182 -0.192 -2.288 -21.871 1.00 0.00 C ATOM 741 C PRO A 182 1.165 -1.848 -22.410 1.00 0.00 C ATOM 742 O PRO A 182 1.290 -0.780 -23.008 1.00 0.00 O ATOM 743 CB PRO A 182 -1.138 -2.635 -23.023 1.00 0.00 C ATOM 744 CG PRO A 182 -1.918 -1.388 -23.261 1.00 0.00 C ATOM 745 CD PRO A 182 -2.068 -0.730 -21.917 1.00 0.00 C ATOM 0 HA PRO A 182 0.023 -3.128 -21.210 1.00 0.00 H new ATOM 0 HB2 PRO A 182 -0.585 -2.932 -23.914 1.00 0.00 H new ATOM 0 HB3 PRO A 182 -1.792 -3.467 -22.762 1.00 0.00 H new ATOM 0 HG2 PRO A 182 -1.401 -0.732 -23.961 1.00 0.00 H new ATOM 0 HG3 PRO A 182 -2.892 -1.614 -23.696 1.00 0.00 H new ATOM 0 HD2 PRO A 182 -2.079 0.357 -22.001 1.00 0.00 H new ATOM 0 HD3 PRO A 182 -2.998 -1.022 -21.428 1.00 0.00 H new ATOM 753 N SER A 183 2.179 -2.680 -22.196 1.00 0.00 N ATOM 754 CA SER A 183 3.528 -2.375 -22.658 1.00 0.00 C ATOM 755 C SER A 183 4.073 -3.505 -23.526 1.00 0.00 C ATOM 756 O SER A 183 3.492 -4.588 -23.592 1.00 0.00 O ATOM 757 CB SER A 183 4.458 -2.140 -21.465 1.00 0.00 C ATOM 758 OG SER A 183 4.423 -0.786 -21.050 1.00 0.00 O ATOM 0 H SER A 183 2.092 -3.570 -21.706 1.00 0.00 H new ATOM 0 HA SER A 183 3.483 -1.467 -23.259 1.00 0.00 H new ATOM 0 HB2 SER A 183 4.163 -2.785 -20.637 1.00 0.00 H new ATOM 0 HB3 SER A 183 5.478 -2.415 -21.735 1.00 0.00 H new ATOM 0 HG SER A 183 5.024 -0.662 -20.286 1.00 0.00 H new ATOM 764 N ALA A 184 5.194 -3.243 -24.192 1.00 0.00 N ATOM 765 CA ALA A 184 5.819 -4.238 -25.055 1.00 0.00 C ATOM 766 C ALA A 184 5.777 -5.622 -24.418 1.00 0.00 C ATOM 767 O ALA A 184 5.942 -5.762 -23.207 1.00 0.00 O ATOM 768 CB ALA A 184 7.254 -3.839 -25.365 1.00 0.00 C ATOM 0 H ALA A 184 5.687 -2.351 -24.150 1.00 0.00 H new ATOM 0 HA ALA A 184 5.256 -4.280 -25.987 1.00 0.00 H new ATOM 0 HB1 ALA A 184 7.709 -4.590 -26.010 1.00 0.00 H new ATOM 0 HB2 ALA A 184 7.262 -2.873 -25.871 1.00 0.00 H new ATOM 0 HB3 ALA A 184 7.820 -3.767 -24.436 1.00 0.00 H new ATOM 774 N GLN A 185 5.557 -6.642 -25.242 1.00 0.00 N ATOM 775 CA GLN A 185 5.493 -8.015 -24.757 1.00 0.00 C ATOM 776 C GLN A 185 6.848 -8.702 -24.886 1.00 0.00 C ATOM 777 O GLN A 185 7.566 -8.501 -25.865 1.00 0.00 O ATOM 778 CB GLN A 185 4.433 -8.802 -25.530 1.00 0.00 C ATOM 779 CG GLN A 185 3.014 -8.315 -25.285 1.00 0.00 C ATOM 780 CD GLN A 185 1.967 -9.307 -25.754 1.00 0.00 C ATOM 781 OE1 GLN A 185 1.305 -9.957 -24.945 1.00 0.00 O ATOM 782 NE2 GLN A 185 1.813 -9.428 -27.067 1.00 0.00 N ATOM 0 H GLN A 185 5.420 -6.543 -26.248 1.00 0.00 H new ATOM 0 HA GLN A 185 5.219 -7.989 -23.702 1.00 0.00 H new ATOM 0 HB2 GLN A 185 4.651 -8.738 -26.596 1.00 0.00 H new ATOM 0 HB3 GLN A 185 4.500 -9.854 -25.253 1.00 0.00 H new ATOM 0 HG2 GLN A 185 2.878 -8.125 -24.220 1.00 0.00 H new ATOM 0 HG3 GLN A 185 2.866 -7.366 -25.800 1.00 0.00 H new ATOM 0 HE21 GLN A 185 2.384 -8.869 -27.701 1.00 0.00 H new ATOM 0 HE22 GLN A 185 1.124 -10.080 -27.442 1.00 0.00 H new ATOM 791 N GLY A 186 7.192 -9.514 -23.891 1.00 0.00 N ATOM 792 CA GLY A 186 8.461 -10.218 -23.913 1.00 0.00 C ATOM 793 C GLY A 186 9.607 -9.363 -23.407 1.00 0.00 C ATOM 794 O GLY A 186 9.708 -9.094 -22.210 1.00 0.00 O ATOM 0 H GLY A 186 6.615 -9.697 -23.070 1.00 0.00 H new ATOM 0 HA2 GLY A 186 8.385 -11.117 -23.302 1.00 0.00 H new ATOM 0 HA3 GLY A 186 8.676 -10.542 -24.931 1.00 0.00 H new ATOM 798 N SER A 187 10.473 -8.936 -24.321 1.00 0.00 N ATOM 799 CA SER A 187 11.620 -8.112 -23.961 1.00 0.00 C ATOM 800 C SER A 187 12.009 -7.189 -25.112 1.00 0.00 C ATOM 801 O SER A 187 11.431 -7.253 -26.196 1.00 0.00 O ATOM 802 CB SER A 187 12.809 -8.995 -23.576 1.00 0.00 C ATOM 803 OG SER A 187 12.678 -9.477 -22.250 1.00 0.00 O ATOM 0 H SER A 187 10.402 -9.147 -25.316 1.00 0.00 H new ATOM 0 HA SER A 187 11.340 -7.498 -23.105 1.00 0.00 H new ATOM 0 HB2 SER A 187 12.880 -9.835 -24.266 1.00 0.00 H new ATOM 0 HB3 SER A 187 13.734 -8.426 -23.670 1.00 0.00 H new ATOM 0 HG SER A 187 11.753 -9.360 -21.949 1.00 0.00 H new ATOM 809 N GLY A 188 12.994 -6.331 -24.867 1.00 0.00 N ATOM 810 CA GLY A 188 13.445 -5.407 -25.891 1.00 0.00 C ATOM 811 C GLY A 188 14.524 -6.001 -26.774 1.00 0.00 C ATOM 812 O GLY A 188 15.420 -6.705 -26.308 1.00 0.00 O ATOM 0 H GLY A 188 13.488 -6.259 -23.977 1.00 0.00 H new ATOM 0 HA2 GLY A 188 12.597 -5.112 -26.508 1.00 0.00 H new ATOM 0 HA3 GLY A 188 13.825 -4.502 -25.417 1.00 0.00 H new ATOM 816 N PRO A 189 14.445 -5.719 -28.083 1.00 0.00 N ATOM 817 CA PRO A 189 15.414 -6.222 -29.061 1.00 0.00 C ATOM 818 C PRO A 189 16.786 -5.574 -28.904 1.00 0.00 C ATOM 819 O PRO A 189 16.897 -4.353 -28.789 1.00 0.00 O ATOM 820 CB PRO A 189 14.793 -5.838 -30.406 1.00 0.00 C ATOM 821 CG PRO A 189 13.926 -4.665 -30.102 1.00 0.00 C ATOM 822 CD PRO A 189 13.404 -4.886 -28.709 1.00 0.00 C ATOM 0 HA PRO A 189 15.590 -7.292 -28.947 1.00 0.00 H new ATOM 0 HB2 PRO A 189 15.560 -5.584 -31.138 1.00 0.00 H new ATOM 0 HB3 PRO A 189 14.213 -6.661 -30.824 1.00 0.00 H new ATOM 0 HG2 PRO A 189 14.492 -3.735 -30.164 1.00 0.00 H new ATOM 0 HG3 PRO A 189 13.108 -4.589 -30.818 1.00 0.00 H new ATOM 0 HD2 PRO A 189 13.268 -3.945 -28.177 1.00 0.00 H new ATOM 0 HD3 PRO A 189 12.437 -5.390 -28.717 1.00 0.00 H new ATOM 830 N SER A 190 17.828 -6.399 -28.901 1.00 0.00 N ATOM 831 CA SER A 190 19.193 -5.906 -28.755 1.00 0.00 C ATOM 832 C SER A 190 19.485 -4.805 -29.771 1.00 0.00 C ATOM 833 O SER A 190 18.965 -4.822 -30.886 1.00 0.00 O ATOM 834 CB SER A 190 20.192 -7.051 -28.926 1.00 0.00 C ATOM 835 OG SER A 190 19.956 -7.759 -30.131 1.00 0.00 O ATOM 0 H SER A 190 17.753 -7.412 -28.998 1.00 0.00 H new ATOM 0 HA SER A 190 19.297 -5.489 -27.753 1.00 0.00 H new ATOM 0 HB2 SER A 190 21.207 -6.655 -28.926 1.00 0.00 H new ATOM 0 HB3 SER A 190 20.116 -7.733 -28.079 1.00 0.00 H new ATOM 0 HG SER A 190 20.609 -8.485 -30.217 1.00 0.00 H new ATOM 841 N SER A 191 20.320 -3.850 -29.375 1.00 0.00 N ATOM 842 CA SER A 191 20.679 -2.739 -30.248 1.00 0.00 C ATOM 843 C SER A 191 21.751 -3.159 -31.250 1.00 0.00 C ATOM 844 O SER A 191 22.911 -3.353 -30.890 1.00 0.00 O ATOM 845 CB SER A 191 21.176 -1.552 -29.421 1.00 0.00 C ATOM 846 OG SER A 191 20.091 -0.811 -28.890 1.00 0.00 O ATOM 0 H SER A 191 20.760 -3.823 -28.455 1.00 0.00 H new ATOM 0 HA SER A 191 19.787 -2.441 -30.799 1.00 0.00 H new ATOM 0 HB2 SER A 191 21.808 -1.910 -28.609 1.00 0.00 H new ATOM 0 HB3 SER A 191 21.793 -0.904 -30.043 1.00 0.00 H new ATOM 0 HG SER A 191 20.435 -0.059 -28.364 1.00 0.00 H new ATOM 852 N GLY A 192 21.351 -3.299 -32.510 1.00 0.00 N ATOM 853 CA GLY A 192 22.288 -3.696 -33.545 1.00 0.00 C ATOM 854 C GLY A 192 22.309 -5.195 -33.765 1.00 0.00 C ATOM 855 O GLY A 192 21.460 -5.893 -33.213 1.00 0.00 O ATOM 0 H GLY A 192 20.396 -3.145 -32.833 1.00 0.00 H new ATOM 0 HA2 GLY A 192 22.025 -3.199 -34.479 1.00 0.00 H new ATOM 0 HA3 GLY A 192 23.288 -3.358 -33.274 1.00 0.00 H new TER 859 GLY A 192 HETATM 860 ZN ZN A 330 -5.894 12.111 2.077 1.00 0.00 ZN HETATM 861 ZN ZN A 530 -0.402 -4.462 -5.022 1.00 0.00 ZN