USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=13 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 :FLIP no HD1:sc= 0.0943 F(o=-3.4,f=-1.4) USER MOD Set 1.2: A 141 ASN :FLIP amide:sc= -1.46 F(o=-3.1!,f=-1.4) USER MOD Single : A 136 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot 180:sc= 0.0342 USER MOD Single : A 145 GLN : amide:sc= -8.69! C(o=-8.7!,f=-8.7!) USER MOD Single : A 147 ASN : amide:sc= 0.528 K(o=0.53,f=-0.7) USER MOD Single : A 149 TYR OH : rot -95:sc= 0.0297 USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 151 HIS : no HD1:sc= -8.34! C(o=-8.3!,f=-9.9!) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 159 GLN : amide:sc= -0.079 X(o=-0.079,f=-0.06) USER MOD Single : A 161 LYS NZ :NH3+ -117:sc= -0.0199 (180deg=-0.405) USER MOD Single : A 162 THR OG1 : rot 180:sc= 0 USER MOD Single : A 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 SER OG : rot 180:sc= -0.674 USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 ASN : amide:sc= -0.192 X(o=-0.19,f=0) USER MOD Single : A 169 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.0307) USER MOD Single : A 171 MET CE :methyl 163:sc= -0.875 (180deg=-1.47!) USER MOD Single : A 175 SER OG : rot 180:sc= 0 USER MOD Single : A 186 MET CE :methyl -173:sc=-0.00723 (180deg=-0.0738) USER MOD Single : A 188 THR OG1 : rot -156:sc= -0.447 USER MOD Single : A 197 ASN : amide:sc= -0.0855 K(o=-0.085,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 133 20.400 -1.176 4.790 1.00 0.00 N ATOM 2 CA GLU A 133 19.497 -0.548 3.785 1.00 0.00 C ATOM 3 C GLU A 133 18.690 -1.633 3.082 1.00 0.00 C ATOM 4 O GLU A 133 19.250 -2.600 2.565 1.00 0.00 O ATOM 5 CB GLU A 133 20.335 0.224 2.762 1.00 0.00 C ATOM 6 CG GLU A 133 21.156 1.298 3.481 1.00 0.00 C ATOM 7 CD GLU A 133 20.230 2.368 4.049 1.00 0.00 C ATOM 8 OE1 GLU A 133 19.278 2.719 3.372 1.00 0.00 O ATOM 9 OE2 GLU A 133 20.488 2.821 5.152 1.00 0.00 O ATOM 0 HA GLU A 133 18.814 0.141 4.283 1.00 0.00 H new ATOM 0 HB2 GLU A 133 20.997 -0.459 2.229 1.00 0.00 H new ATOM 0 HB3 GLU A 133 19.686 0.685 2.018 1.00 0.00 H new ATOM 0 HG2 GLU A 133 21.738 0.846 4.284 1.00 0.00 H new ATOM 0 HG3 GLU A 133 21.866 1.750 2.788 1.00 0.00 H new ATOM 18 N ALA A 134 17.371 -1.467 3.070 1.00 0.00 N ATOM 19 CA ALA A 134 16.495 -2.441 2.427 1.00 0.00 C ATOM 20 C ALA A 134 15.066 -1.911 2.359 1.00 0.00 C ATOM 21 O ALA A 134 14.751 -0.873 2.940 1.00 0.00 O ATOM 22 CB ALA A 134 16.517 -3.758 3.206 1.00 0.00 C ATOM 0 H ALA A 134 16.888 -0.675 3.494 1.00 0.00 H new ATOM 0 HA ALA A 134 16.856 -2.614 1.413 1.00 0.00 H new ATOM 0 HB1 ALA A 134 15.861 -4.479 2.720 1.00 0.00 H new ATOM 0 HB2 ALA A 134 17.534 -4.150 3.229 1.00 0.00 H new ATOM 0 HB3 ALA A 134 16.172 -3.584 4.225 1.00 0.00 H new ATOM 28 N CYS A 135 14.207 -2.633 1.646 1.00 0.00 N ATOM 29 CA CYS A 135 12.812 -2.224 1.510 1.00 0.00 C ATOM 30 C CYS A 135 12.127 -2.207 2.872 1.00 0.00 C ATOM 31 O CYS A 135 12.531 -2.921 3.789 1.00 0.00 O ATOM 32 CB CYS A 135 12.083 -3.179 0.561 1.00 0.00 C ATOM 33 SG CYS A 135 12.687 -2.919 -1.127 1.00 0.00 S ATOM 0 H CYS A 135 14.448 -3.496 1.158 1.00 0.00 H new ATOM 0 HA CYS A 135 12.778 -1.216 1.096 1.00 0.00 H new ATOM 0 HB2 CYS A 135 12.252 -4.212 0.865 1.00 0.00 H new ATOM 0 HB3 CYS A 135 11.008 -3.005 0.606 1.00 0.00 H new ATOM 38 N GLN A 136 11.085 -1.382 2.998 1.00 0.00 N ATOM 39 CA GLN A 136 10.341 -1.266 4.256 1.00 0.00 C ATOM 40 C GLN A 136 8.873 -1.593 4.030 1.00 0.00 C ATOM 41 O GLN A 136 8.356 -1.423 2.927 1.00 0.00 O ATOM 42 CB GLN A 136 10.468 0.158 4.803 1.00 0.00 C ATOM 43 CG GLN A 136 11.922 0.426 5.195 1.00 0.00 C ATOM 44 CD GLN A 136 12.074 1.860 5.691 1.00 0.00 C ATOM 45 OE1 GLN A 136 11.389 2.270 6.628 1.00 0.00 O ATOM 46 NE2 GLN A 136 12.936 2.652 5.114 1.00 0.00 N ATOM 0 H GLN A 136 10.737 -0.786 2.247 1.00 0.00 H new ATOM 0 HA GLN A 136 10.757 -1.971 4.976 1.00 0.00 H new ATOM 0 HB2 GLN A 136 10.144 0.878 4.051 1.00 0.00 H new ATOM 0 HB3 GLN A 136 9.817 0.286 5.668 1.00 0.00 H new ATOM 0 HG2 GLN A 136 12.232 -0.271 5.974 1.00 0.00 H new ATOM 0 HG3 GLN A 136 12.575 0.258 4.338 1.00 0.00 H new ATOM 0 HE21 GLN A 136 13.503 2.310 4.338 1.00 0.00 H new ATOM 0 HE22 GLN A 136 13.043 3.613 5.439 1.00 0.00 H new ATOM 55 N PHE A 137 8.203 -2.071 5.077 1.00 0.00 N ATOM 56 CA PHE A 137 6.785 -2.432 4.981 1.00 0.00 C ATOM 57 C PHE A 137 5.917 -1.425 5.736 1.00 0.00 C ATOM 58 O PHE A 137 6.260 -0.998 6.839 1.00 0.00 O ATOM 59 CB PHE A 137 6.577 -3.842 5.552 1.00 0.00 C ATOM 60 CG PHE A 137 5.095 -4.143 5.678 1.00 0.00 C ATOM 61 CD1 PHE A 137 4.261 -4.043 4.557 1.00 0.00 C ATOM 62 CD2 PHE A 137 4.555 -4.518 6.917 1.00 0.00 C ATOM 63 CE1 PHE A 137 2.897 -4.316 4.671 1.00 0.00 C ATOM 64 CE2 PHE A 137 3.188 -4.793 7.031 1.00 0.00 C ATOM 65 CZ PHE A 137 2.358 -4.693 5.908 1.00 0.00 C ATOM 0 H PHE A 137 8.615 -2.218 5.999 1.00 0.00 H new ATOM 0 HA PHE A 137 6.488 -2.417 3.932 1.00 0.00 H new ATOM 0 HB2 PHE A 137 7.051 -4.579 4.903 1.00 0.00 H new ATOM 0 HB3 PHE A 137 7.056 -3.921 6.528 1.00 0.00 H new ATOM 0 HD1 PHE A 137 4.674 -3.754 3.602 1.00 0.00 H new ATOM 0 HD2 PHE A 137 5.195 -4.595 7.784 1.00 0.00 H new ATOM 0 HE1 PHE A 137 2.257 -4.237 3.805 1.00 0.00 H new ATOM 0 HE2 PHE A 137 2.773 -5.082 7.985 1.00 0.00 H new ATOM 0 HZ PHE A 137 1.303 -4.906 5.995 1.00 0.00 H new ATOM 75 N SER A 138 4.789 -1.058 5.128 1.00 0.00 N ATOM 76 CA SER A 138 3.863 -0.105 5.737 1.00 0.00 C ATOM 77 C SER A 138 2.429 -0.419 5.317 1.00 0.00 C ATOM 78 O SER A 138 2.165 -0.713 4.151 1.00 0.00 O ATOM 79 CB SER A 138 4.225 1.316 5.309 1.00 0.00 C ATOM 80 OG SER A 138 3.603 2.244 6.188 1.00 0.00 O ATOM 0 H SER A 138 4.495 -1.406 4.215 1.00 0.00 H new ATOM 0 HA SER A 138 3.940 -0.186 6.821 1.00 0.00 H new ATOM 0 HB2 SER A 138 5.307 1.449 5.327 1.00 0.00 H new ATOM 0 HB3 SER A 138 3.899 1.494 4.284 1.00 0.00 H new ATOM 0 HG SER A 138 3.835 3.157 5.917 1.00 0.00 H new ATOM 86 N HIS A 139 1.504 -0.360 6.277 1.00 0.00 N ATOM 87 CA HIS A 139 0.090 -0.645 6.005 1.00 0.00 C ATOM 88 C HIS A 139 -0.810 0.419 6.631 1.00 0.00 C ATOM 89 O HIS A 139 -0.398 1.143 7.538 1.00 0.00 O ATOM 90 CB HIS A 139 -0.286 -2.021 6.561 1.00 0.00 C ATOM 91 CG HIS A 139 -0.216 -1.994 8.064 1.00 0.00 C ATOM 92 ND1 HIS A 139 -1.139 -1.641 9.016 1.00 0.00 N flip ATOM 93 CD2 HIS A 139 0.924 -2.363 8.759 1.00 0.00 C flip ATOM 94 CE1 HIS A 139 -0.585 -1.789 10.282 1.00 0.00 C flip ATOM 95 NE2 HIS A 139 0.660 -2.227 10.072 1.00 0.00 N flip ATOM 0 H HIS A 139 1.706 -0.118 7.247 1.00 0.00 H new ATOM 0 HA HIS A 139 -0.055 -0.636 4.925 1.00 0.00 H new ATOM 0 HB2 HIS A 139 -1.291 -2.293 6.238 1.00 0.00 H new ATOM 0 HB3 HIS A 139 0.391 -2.780 6.169 1.00 0.00 H new ATOM 0 HD2 HIS A 139 1.855 -2.699 8.326 1.00 0.00 H new ATOM 0 HE1 HIS A 139 -1.059 -1.592 11.232 1.00 0.00 H new ATOM 0 HE2 HIS A 139 1.328 -2.433 10.815 1.00 0.00 H new ATOM 104 N VAL A 140 -2.043 0.503 6.132 1.00 0.00 N ATOM 105 CA VAL A 140 -3.019 1.478 6.630 1.00 0.00 C ATOM 106 C VAL A 140 -4.380 0.806 6.807 1.00 0.00 C ATOM 107 O VAL A 140 -5.001 0.385 5.832 1.00 0.00 O ATOM 108 CB VAL A 140 -3.126 2.639 5.630 1.00 0.00 C ATOM 109 CG1 VAL A 140 -4.328 3.527 5.967 1.00 0.00 C ATOM 110 CG2 VAL A 140 -1.849 3.479 5.694 1.00 0.00 C ATOM 0 H VAL A 140 -2.392 -0.093 5.381 1.00 0.00 H new ATOM 0 HA VAL A 140 -2.693 1.863 7.596 1.00 0.00 H new ATOM 0 HB VAL A 140 -3.257 2.230 4.628 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -4.389 4.345 5.249 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -5.242 2.935 5.921 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -4.209 3.934 6.971 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -1.921 4.304 4.986 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -1.724 3.875 6.702 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -0.991 2.857 5.440 1.00 0.00 H new ATOM 120 N ASN A 141 -4.840 0.697 8.057 1.00 0.00 N ATOM 121 CA ASN A 141 -6.130 0.060 8.337 1.00 0.00 C ATOM 122 C ASN A 141 -6.803 0.674 9.570 1.00 0.00 C ATOM 123 O ASN A 141 -6.218 0.711 10.652 1.00 0.00 O ATOM 124 CB ASN A 141 -5.923 -1.444 8.564 1.00 0.00 C ATOM 125 CG ASN A 141 -5.268 -1.697 9.921 1.00 0.00 C ATOM 126 OD1 ASN A 141 -5.998 -1.666 11.002 1.00 0.00 O flip ATOM 127 ND2 ASN A 141 -4.063 -1.932 9.996 1.00 0.00 N flip ATOM 0 H ASN A 141 -4.345 1.037 8.882 1.00 0.00 H new ATOM 0 HA ASN A 141 -6.780 0.223 7.478 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -6.882 -1.960 8.515 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -5.299 -1.855 7.770 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -3.494 -1.956 9.150 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -3.632 -2.103 10.905 1.00 0.00 H new ATOM 134 N SER A 142 -8.046 1.130 9.401 1.00 0.00 N ATOM 135 CA SER A 142 -8.812 1.713 10.509 1.00 0.00 C ATOM 136 C SER A 142 -10.264 1.249 10.442 1.00 0.00 C ATOM 137 O SER A 142 -10.639 0.489 9.550 1.00 0.00 O ATOM 138 CB SER A 142 -8.748 3.245 10.475 1.00 0.00 C ATOM 139 OG SER A 142 -9.021 3.752 11.774 1.00 0.00 O ATOM 0 H SER A 142 -8.544 1.108 8.511 1.00 0.00 H new ATOM 0 HA SER A 142 -8.369 1.374 11.445 1.00 0.00 H new ATOM 0 HB2 SER A 142 -7.763 3.573 10.143 1.00 0.00 H new ATOM 0 HB3 SER A 142 -9.472 3.636 9.759 1.00 0.00 H new ATOM 0 HG SER A 142 -8.980 4.731 11.758 1.00 0.00 H new ATOM 145 N ARG A 143 -11.073 1.705 11.390 1.00 0.00 N ATOM 146 CA ARG A 143 -12.481 1.322 11.430 1.00 0.00 C ATOM 147 C ARG A 143 -13.277 2.024 10.328 1.00 0.00 C ATOM 148 O ARG A 143 -14.181 1.435 9.734 1.00 0.00 O ATOM 149 CB ARG A 143 -13.077 1.673 12.798 1.00 0.00 C ATOM 150 CG ARG A 143 -12.607 0.657 13.848 1.00 0.00 C ATOM 151 CD ARG A 143 -11.078 0.590 13.862 1.00 0.00 C ATOM 152 NE ARG A 143 -10.613 -0.004 15.110 1.00 0.00 N ATOM 153 CZ ARG A 143 -9.316 -0.130 15.370 1.00 0.00 C ATOM 154 NH1 ARG A 143 -8.433 0.283 14.502 1.00 0.00 N ATOM 155 NH2 ARG A 143 -8.925 -0.665 16.496 1.00 0.00 N ATOM 0 H ARG A 143 -10.783 2.336 12.137 1.00 0.00 H new ATOM 0 HA ARG A 143 -12.544 0.246 11.266 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -12.773 2.678 13.090 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -14.166 1.673 12.741 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -12.976 0.942 14.833 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -13.021 -0.327 13.625 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -10.724 0.001 13.016 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -10.661 1.591 13.749 1.00 0.00 H new ATOM 0 HE ARG A 143 -11.295 -0.328 15.795 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -8.739 0.703 13.624 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -7.437 0.186 14.702 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -9.615 -0.986 17.175 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -7.930 -0.762 16.696 1.00 0.00 H new ATOM 169 N ASP A 144 -12.953 3.292 10.072 1.00 0.00 N ATOM 170 CA ASP A 144 -13.663 4.072 9.053 1.00 0.00 C ATOM 171 C ASP A 144 -12.963 3.996 7.697 1.00 0.00 C ATOM 172 O ASP A 144 -13.590 4.202 6.658 1.00 0.00 O ATOM 173 CB ASP A 144 -13.750 5.533 9.494 1.00 0.00 C ATOM 174 CG ASP A 144 -14.599 6.326 8.506 1.00 0.00 C ATOM 175 OD1 ASP A 144 -15.534 5.757 7.970 1.00 0.00 O ATOM 176 OD2 ASP A 144 -14.301 7.491 8.302 1.00 0.00 O ATOM 0 H ASP A 144 -12.209 3.799 10.551 1.00 0.00 H new ATOM 0 HA ASP A 144 -14.662 3.650 8.945 1.00 0.00 H new ATOM 0 HB2 ASP A 144 -14.185 5.595 10.492 1.00 0.00 H new ATOM 0 HB3 ASP A 144 -12.750 5.963 9.555 1.00 0.00 H new ATOM 181 N GLN A 145 -11.666 3.713 7.711 1.00 0.00 N ATOM 182 CA GLN A 145 -10.900 3.630 6.470 1.00 0.00 C ATOM 183 C GLN A 145 -11.477 2.555 5.543 1.00 0.00 C ATOM 184 O GLN A 145 -10.919 1.468 5.420 1.00 0.00 O ATOM 185 CB GLN A 145 -9.429 3.313 6.801 1.00 0.00 C ATOM 186 CG GLN A 145 -8.656 4.613 7.083 1.00 0.00 C ATOM 187 CD GLN A 145 -7.176 4.310 7.278 1.00 0.00 C ATOM 188 OE1 GLN A 145 -6.319 5.031 6.769 1.00 0.00 O ATOM 189 NE2 GLN A 145 -6.826 3.277 7.991 1.00 0.00 N ATOM 0 H GLN A 145 -11.125 3.538 8.558 1.00 0.00 H new ATOM 0 HA GLN A 145 -10.961 4.588 5.953 1.00 0.00 H new ATOM 0 HB2 GLN A 145 -9.377 2.655 7.669 1.00 0.00 H new ATOM 0 HB3 GLN A 145 -8.968 2.780 5.969 1.00 0.00 H new ATOM 0 HG2 GLN A 145 -8.787 5.310 6.255 1.00 0.00 H new ATOM 0 HG3 GLN A 145 -9.056 5.098 7.974 1.00 0.00 H new ATOM 0 HE21 GLN A 145 -7.540 2.682 8.411 1.00 0.00 H new ATOM 0 HE22 GLN A 145 -5.838 3.064 8.129 1.00 0.00 H new ATOM 198 N CYS A 146 -12.593 2.884 4.888 1.00 0.00 N ATOM 199 CA CYS A 146 -13.263 1.960 3.960 1.00 0.00 C ATOM 200 C CYS A 146 -13.296 2.565 2.550 1.00 0.00 C ATOM 201 O CYS A 146 -14.095 3.461 2.270 1.00 0.00 O ATOM 202 CB CYS A 146 -14.691 1.703 4.469 1.00 0.00 C ATOM 203 SG CYS A 146 -15.541 0.509 3.407 1.00 0.00 S ATOM 0 H CYS A 146 -13.056 3.788 4.982 1.00 0.00 H new ATOM 0 HA CYS A 146 -12.718 1.017 3.912 1.00 0.00 H new ATOM 0 HB2 CYS A 146 -14.656 1.328 5.492 1.00 0.00 H new ATOM 0 HB3 CYS A 146 -15.249 2.639 4.492 1.00 0.00 H new ATOM 208 N ASN A 147 -12.406 2.083 1.669 1.00 0.00 N ATOM 209 CA ASN A 147 -12.317 2.594 0.290 1.00 0.00 C ATOM 210 C ASN A 147 -12.221 1.450 -0.728 1.00 0.00 C ATOM 211 O ASN A 147 -11.972 0.302 -0.365 1.00 0.00 O ATOM 212 CB ASN A 147 -11.086 3.493 0.152 1.00 0.00 C ATOM 213 CG ASN A 147 -10.981 4.421 1.357 1.00 0.00 C ATOM 214 OD1 ASN A 147 -11.446 5.560 1.307 1.00 0.00 O ATOM 215 ND2 ASN A 147 -10.395 4.000 2.445 1.00 0.00 N ATOM 0 H ASN A 147 -11.739 1.342 1.885 1.00 0.00 H new ATOM 0 HA ASN A 147 -13.224 3.162 0.085 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -10.186 2.882 0.073 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -11.154 4.079 -0.764 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -10.322 4.615 3.255 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -10.010 3.056 2.485 1.00 0.00 H new ATOM 222 N ASP A 148 -12.427 1.783 -2.008 1.00 0.00 N ATOM 223 CA ASP A 148 -12.371 0.786 -3.082 1.00 0.00 C ATOM 224 C ASP A 148 -10.934 0.393 -3.418 1.00 0.00 C ATOM 225 O ASP A 148 -9.987 1.120 -3.118 1.00 0.00 O ATOM 226 CB ASP A 148 -13.067 1.326 -4.336 1.00 0.00 C ATOM 227 CG ASP A 148 -12.598 2.743 -4.633 1.00 0.00 C ATOM 228 OD1 ASP A 148 -11.622 2.884 -5.351 1.00 0.00 O ATOM 229 OD2 ASP A 148 -13.222 3.667 -4.139 1.00 0.00 O ATOM 0 H ASP A 148 -12.633 2.731 -2.324 1.00 0.00 H new ATOM 0 HA ASP A 148 -12.888 -0.107 -2.730 1.00 0.00 H new ATOM 0 HB2 ASP A 148 -12.852 0.679 -5.186 1.00 0.00 H new ATOM 0 HB3 ASP A 148 -14.148 1.316 -4.193 1.00 0.00 H new ATOM 234 N TYR A 149 -10.793 -0.776 -4.039 1.00 0.00 N ATOM 235 CA TYR A 149 -9.482 -1.293 -4.423 1.00 0.00 C ATOM 236 C TYR A 149 -8.647 -0.211 -5.103 1.00 0.00 C ATOM 237 O TYR A 149 -7.556 0.125 -4.642 1.00 0.00 O ATOM 238 CB TYR A 149 -9.663 -2.473 -5.384 1.00 0.00 C ATOM 239 CG TYR A 149 -8.330 -3.120 -5.676 1.00 0.00 C ATOM 240 CD1 TYR A 149 -7.843 -4.139 -4.843 1.00 0.00 C ATOM 241 CD2 TYR A 149 -7.584 -2.709 -6.787 1.00 0.00 C ATOM 242 CE1 TYR A 149 -6.611 -4.744 -5.125 1.00 0.00 C ATOM 243 CE2 TYR A 149 -6.352 -3.313 -7.068 1.00 0.00 C ATOM 244 CZ TYR A 149 -5.867 -4.331 -6.237 1.00 0.00 C ATOM 245 OH TYR A 149 -4.654 -4.927 -6.514 1.00 0.00 O ATOM 0 H TYR A 149 -11.573 -1.384 -4.287 1.00 0.00 H new ATOM 0 HA TYR A 149 -8.961 -1.619 -3.523 1.00 0.00 H new ATOM 0 HB2 TYR A 149 -10.343 -3.205 -4.948 1.00 0.00 H new ATOM 0 HB3 TYR A 149 -10.119 -2.128 -6.312 1.00 0.00 H new ATOM 0 HD1 TYR A 149 -8.417 -4.457 -3.985 1.00 0.00 H new ATOM 0 HD2 TYR A 149 -7.959 -1.925 -7.428 1.00 0.00 H new ATOM 0 HE1 TYR A 149 -6.235 -5.529 -4.485 1.00 0.00 H new ATOM 0 HE2 TYR A 149 -5.777 -2.994 -7.925 1.00 0.00 H new ATOM 0 HH TYR A 149 -3.930 -4.392 -6.125 1.00 0.00 H new ATOM 255 N GLN A 150 -9.165 0.324 -6.204 1.00 0.00 N ATOM 256 CA GLN A 150 -8.457 1.361 -6.944 1.00 0.00 C ATOM 257 C GLN A 150 -8.097 2.529 -6.032 1.00 0.00 C ATOM 258 O GLN A 150 -6.954 2.987 -6.018 1.00 0.00 O ATOM 259 CB GLN A 150 -9.323 1.862 -8.101 1.00 0.00 C ATOM 260 CG GLN A 150 -8.602 3.000 -8.834 1.00 0.00 C ATOM 261 CD GLN A 150 -9.164 3.161 -10.238 1.00 0.00 C ATOM 262 OE1 GLN A 150 -10.016 4.017 -10.476 1.00 0.00 O ATOM 263 NE2 GLN A 150 -8.734 2.381 -11.185 1.00 0.00 N ATOM 0 H GLN A 150 -10.066 0.059 -6.601 1.00 0.00 H new ATOM 0 HA GLN A 150 -7.537 0.930 -7.338 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -9.530 1.045 -8.793 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -10.284 2.211 -7.723 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -8.719 3.931 -8.279 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -7.534 2.790 -8.884 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -8.028 1.674 -10.982 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -9.103 2.477 -12.131 1.00 0.00 H new ATOM 272 N HIS A 151 -9.076 3.007 -5.272 1.00 0.00 N ATOM 273 CA HIS A 151 -8.841 4.121 -4.363 1.00 0.00 C ATOM 274 C HIS A 151 -7.630 3.835 -3.483 1.00 0.00 C ATOM 275 O HIS A 151 -6.750 4.682 -3.331 1.00 0.00 O ATOM 276 CB HIS A 151 -10.080 4.357 -3.481 1.00 0.00 C ATOM 277 CG HIS A 151 -11.092 5.190 -4.224 1.00 0.00 C ATOM 278 ND1 HIS A 151 -11.133 5.241 -5.609 1.00 0.00 N ATOM 279 CD2 HIS A 151 -12.103 6.012 -3.788 1.00 0.00 C ATOM 280 CE1 HIS A 151 -12.138 6.068 -5.954 1.00 0.00 C ATOM 281 NE2 HIS A 151 -12.761 6.564 -4.881 1.00 0.00 N ATOM 0 H HIS A 151 -10.030 2.645 -5.267 1.00 0.00 H new ATOM 0 HA HIS A 151 -8.648 5.017 -4.953 1.00 0.00 H new ATOM 0 HB2 HIS A 151 -10.521 3.402 -3.197 1.00 0.00 H new ATOM 0 HB3 HIS A 151 -9.789 4.860 -2.559 1.00 0.00 H new ATOM 0 HD2 HIS A 151 -12.349 6.201 -2.753 1.00 0.00 H new ATOM 0 HE1 HIS A 151 -12.408 6.302 -6.973 1.00 0.00 H new ATOM 0 HE2 HIS A 151 -13.551 7.210 -4.867 1.00 0.00 H new ATOM 290 N TRP A 152 -7.591 2.643 -2.897 1.00 0.00 N ATOM 291 CA TRP A 152 -6.479 2.283 -2.030 1.00 0.00 C ATOM 292 C TRP A 152 -5.162 2.330 -2.805 1.00 0.00 C ATOM 293 O TRP A 152 -4.175 2.886 -2.331 1.00 0.00 O ATOM 294 CB TRP A 152 -6.685 0.873 -1.433 1.00 0.00 C ATOM 295 CG TRP A 152 -7.476 0.933 -0.158 1.00 0.00 C ATOM 296 CD1 TRP A 152 -8.567 0.176 0.100 1.00 0.00 C ATOM 297 CD2 TRP A 152 -7.252 1.751 1.037 1.00 0.00 C ATOM 298 NE1 TRP A 152 -9.037 0.479 1.363 1.00 0.00 N ATOM 299 CE2 TRP A 152 -8.265 1.446 1.978 1.00 0.00 C ATOM 300 CE3 TRP A 152 -6.289 2.724 1.399 1.00 0.00 C ATOM 301 CZ2 TRP A 152 -8.323 2.075 3.219 1.00 0.00 C ATOM 302 CZ3 TRP A 152 -6.348 3.353 2.647 1.00 0.00 C ATOM 303 CH2 TRP A 152 -7.362 3.035 3.554 1.00 0.00 C ATOM 0 H TRP A 152 -8.304 1.922 -3.005 1.00 0.00 H new ATOM 0 HA TRP A 152 -6.438 3.005 -1.215 1.00 0.00 H new ATOM 0 HB2 TRP A 152 -7.202 0.241 -2.155 1.00 0.00 H new ATOM 0 HB3 TRP A 152 -5.716 0.411 -1.242 1.00 0.00 H new ATOM 0 HD1 TRP A 152 -9.001 -0.549 -0.573 1.00 0.00 H new ATOM 0 HE1 TRP A 152 -9.854 0.042 1.790 1.00 0.00 H new ATOM 0 HE3 TRP A 152 -5.502 2.983 0.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 152 -9.106 1.823 3.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 152 -5.604 4.090 2.911 1.00 0.00 H new ATOM 0 HH2 TRP A 152 -7.404 3.530 4.513 1.00 0.00 H new ATOM 314 N LYS A 153 -5.153 1.734 -3.990 1.00 0.00 N ATOM 315 CA LYS A 153 -3.948 1.703 -4.815 1.00 0.00 C ATOM 316 C LYS A 153 -3.324 3.093 -4.909 1.00 0.00 C ATOM 317 O LYS A 153 -2.104 3.238 -4.846 1.00 0.00 O ATOM 318 CB LYS A 153 -4.309 1.170 -6.216 1.00 0.00 C ATOM 319 CG LYS A 153 -3.118 0.428 -6.862 1.00 0.00 C ATOM 320 CD LYS A 153 -3.630 -0.533 -7.942 1.00 0.00 C ATOM 321 CE LYS A 153 -4.289 0.254 -9.081 1.00 0.00 C ATOM 322 NZ LYS A 153 -4.302 -0.580 -10.315 1.00 0.00 N ATOM 0 H LYS A 153 -5.961 1.267 -4.402 1.00 0.00 H new ATOM 0 HA LYS A 153 -3.213 1.041 -4.357 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -5.162 0.496 -6.142 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -4.613 1.999 -6.855 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -2.425 1.146 -7.300 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -2.566 -0.125 -6.102 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -2.804 -1.128 -8.332 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -4.348 -1.230 -7.509 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -5.306 0.531 -8.805 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -3.744 1.181 -9.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -4.749 -0.048 -11.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -3.326 -0.823 -10.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -4.840 -1.452 -10.139 1.00 0.00 H new ATOM 336 N ASP A 154 -4.163 4.107 -5.054 1.00 0.00 N ATOM 337 CA ASP A 154 -3.667 5.473 -5.147 1.00 0.00 C ATOM 338 C ASP A 154 -3.204 5.971 -3.780 1.00 0.00 C ATOM 339 O ASP A 154 -2.107 6.511 -3.650 1.00 0.00 O ATOM 340 CB ASP A 154 -4.766 6.392 -5.684 1.00 0.00 C ATOM 341 CG ASP A 154 -5.082 6.035 -7.132 1.00 0.00 C ATOM 342 OD1 ASP A 154 -4.169 6.055 -7.941 1.00 0.00 O ATOM 343 OD2 ASP A 154 -6.234 5.746 -7.412 1.00 0.00 O ATOM 0 H ASP A 154 -5.177 4.014 -5.109 1.00 0.00 H new ATOM 0 HA ASP A 154 -2.818 5.486 -5.830 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -5.663 6.295 -5.073 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -4.446 7.432 -5.619 1.00 0.00 H new ATOM 348 N GLU A 155 -4.047 5.787 -2.768 1.00 0.00 N ATOM 349 CA GLU A 155 -3.714 6.230 -1.415 1.00 0.00 C ATOM 350 C GLU A 155 -2.406 5.600 -0.932 1.00 0.00 C ATOM 351 O GLU A 155 -1.502 6.307 -0.488 1.00 0.00 O ATOM 352 CB GLU A 155 -4.863 5.881 -0.456 1.00 0.00 C ATOM 353 CG GLU A 155 -4.432 6.108 1.008 1.00 0.00 C ATOM 354 CD GLU A 155 -5.640 6.474 1.870 1.00 0.00 C ATOM 355 OE1 GLU A 155 -6.699 5.914 1.638 1.00 0.00 O ATOM 356 OE2 GLU A 155 -5.488 7.310 2.745 1.00 0.00 O ATOM 0 H GLU A 155 -4.959 5.338 -2.856 1.00 0.00 H new ATOM 0 HA GLU A 155 -3.576 7.311 -1.431 1.00 0.00 H new ATOM 0 HB2 GLU A 155 -5.734 6.495 -0.684 1.00 0.00 H new ATOM 0 HB3 GLU A 155 -5.160 4.842 -0.597 1.00 0.00 H new ATOM 0 HG2 GLU A 155 -3.959 5.207 1.398 1.00 0.00 H new ATOM 0 HG3 GLU A 155 -3.689 6.904 1.055 1.00 0.00 H new ATOM 363 N ALA A 156 -2.302 4.278 -1.027 1.00 0.00 N ATOM 364 CA ALA A 156 -1.086 3.595 -0.597 1.00 0.00 C ATOM 365 C ALA A 156 0.115 4.194 -1.314 1.00 0.00 C ATOM 366 O ALA A 156 1.211 4.273 -0.761 1.00 0.00 O ATOM 367 CB ALA A 156 -1.176 2.094 -0.900 1.00 0.00 C ATOM 0 H ALA A 156 -3.032 3.666 -1.392 1.00 0.00 H new ATOM 0 HA ALA A 156 -0.971 3.726 0.479 1.00 0.00 H new ATOM 0 HB1 ALA A 156 -0.261 1.601 -0.573 1.00 0.00 H new ATOM 0 HB2 ALA A 156 -2.028 1.666 -0.371 1.00 0.00 H new ATOM 0 HB3 ALA A 156 -1.304 1.946 -1.972 1.00 0.00 H new ATOM 373 N GLY A 157 -0.109 4.632 -2.550 1.00 0.00 N ATOM 374 CA GLY A 157 0.956 5.239 -3.338 1.00 0.00 C ATOM 375 C GLY A 157 1.404 6.556 -2.710 1.00 0.00 C ATOM 376 O GLY A 157 2.599 6.799 -2.545 1.00 0.00 O ATOM 0 H GLY A 157 -1.011 4.578 -3.023 1.00 0.00 H new ATOM 0 HA2 GLY A 157 1.802 4.555 -3.404 1.00 0.00 H new ATOM 0 HA3 GLY A 157 0.608 5.415 -4.356 1.00 0.00 H new ATOM 380 N LYS A 158 0.438 7.404 -2.361 1.00 0.00 N ATOM 381 CA LYS A 158 0.751 8.691 -1.752 1.00 0.00 C ATOM 382 C LYS A 158 1.383 8.504 -0.377 1.00 0.00 C ATOM 383 O LYS A 158 2.288 9.245 0.004 1.00 0.00 O ATOM 384 CB LYS A 158 -0.517 9.542 -1.611 1.00 0.00 C ATOM 385 CG LYS A 158 -1.296 9.564 -2.941 1.00 0.00 C ATOM 386 CD LYS A 158 -2.108 10.859 -3.053 1.00 0.00 C ATOM 387 CE LYS A 158 -3.124 10.927 -1.913 1.00 0.00 C ATOM 388 NZ LYS A 158 -4.102 12.017 -2.184 1.00 0.00 N ATOM 0 H LYS A 158 -0.558 7.224 -2.489 1.00 0.00 H new ATOM 0 HA LYS A 158 1.461 9.201 -2.404 1.00 0.00 H new ATOM 0 HB2 LYS A 158 -1.148 9.139 -0.819 1.00 0.00 H new ATOM 0 HB3 LYS A 158 -0.251 10.558 -1.320 1.00 0.00 H new ATOM 0 HG2 LYS A 158 -0.603 9.486 -3.779 1.00 0.00 H new ATOM 0 HG3 LYS A 158 -1.961 8.702 -2.996 1.00 0.00 H new ATOM 0 HD2 LYS A 158 -1.443 11.722 -3.013 1.00 0.00 H new ATOM 0 HD3 LYS A 158 -2.621 10.896 -4.014 1.00 0.00 H new ATOM 0 HE2 LYS A 158 -3.643 9.973 -1.817 1.00 0.00 H new ATOM 0 HE3 LYS A 158 -2.614 11.109 -0.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 -4.794 12.064 -1.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 -3.599 12.925 -2.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 -4.597 11.825 -3.078 1.00 0.00 H new ATOM 402 N GLN A 159 0.893 7.517 0.369 1.00 0.00 N ATOM 403 CA GLN A 159 1.418 7.259 1.708 1.00 0.00 C ATOM 404 C GLN A 159 2.920 6.980 1.653 1.00 0.00 C ATOM 405 O GLN A 159 3.677 7.441 2.504 1.00 0.00 O ATOM 406 CB GLN A 159 0.675 6.065 2.351 1.00 0.00 C ATOM 407 CG GLN A 159 0.521 6.291 3.864 1.00 0.00 C ATOM 408 CD GLN A 159 -0.619 7.267 4.135 1.00 0.00 C ATOM 409 OE1 GLN A 159 -0.394 8.357 4.663 1.00 0.00 O ATOM 410 NE2 GLN A 159 -1.838 6.941 3.800 1.00 0.00 N ATOM 0 H GLN A 159 0.144 6.890 0.075 1.00 0.00 H new ATOM 0 HA GLN A 159 1.255 8.146 2.320 1.00 0.00 H new ATOM 0 HB2 GLN A 159 -0.306 5.947 1.891 1.00 0.00 H new ATOM 0 HB3 GLN A 159 1.226 5.142 2.167 1.00 0.00 H new ATOM 0 HG2 GLN A 159 0.324 5.342 4.363 1.00 0.00 H new ATOM 0 HG3 GLN A 159 1.451 6.682 4.278 1.00 0.00 H new ATOM 0 HE21 GLN A 159 -2.023 6.038 3.363 1.00 0.00 H new ATOM 0 HE22 GLN A 159 -2.606 7.589 3.975 1.00 0.00 H new ATOM 419 N CYS A 160 3.343 6.215 0.656 1.00 0.00 N ATOM 420 CA CYS A 160 4.753 5.881 0.511 1.00 0.00 C ATOM 421 C CYS A 160 5.540 7.059 -0.053 1.00 0.00 C ATOM 422 O CYS A 160 6.661 7.333 0.378 1.00 0.00 O ATOM 423 CB CYS A 160 4.898 4.679 -0.419 1.00 0.00 C ATOM 424 SG CYS A 160 6.555 3.973 -0.240 1.00 0.00 S ATOM 0 H CYS A 160 2.735 5.817 -0.060 1.00 0.00 H new ATOM 0 HA CYS A 160 5.153 5.641 1.496 1.00 0.00 H new ATOM 0 HB2 CYS A 160 4.144 3.929 -0.181 1.00 0.00 H new ATOM 0 HB3 CYS A 160 4.730 4.983 -1.452 1.00 0.00 H new ATOM 429 N LYS A 161 4.953 7.743 -1.026 1.00 0.00 N ATOM 430 CA LYS A 161 5.613 8.883 -1.654 1.00 0.00 C ATOM 431 C LYS A 161 5.849 10.003 -0.645 1.00 0.00 C ATOM 432 O LYS A 161 6.967 10.505 -0.514 1.00 0.00 O ATOM 433 CB LYS A 161 4.763 9.409 -2.810 1.00 0.00 C ATOM 434 CG LYS A 161 4.804 8.411 -3.969 1.00 0.00 C ATOM 435 CD LYS A 161 3.725 8.772 -4.993 1.00 0.00 C ATOM 436 CE LYS A 161 3.758 7.766 -6.146 1.00 0.00 C ATOM 437 NZ LYS A 161 3.347 6.424 -5.645 1.00 0.00 N ATOM 0 H LYS A 161 4.027 7.531 -1.397 1.00 0.00 H new ATOM 0 HA LYS A 161 6.578 8.547 -2.033 1.00 0.00 H new ATOM 0 HB2 LYS A 161 3.735 9.558 -2.481 1.00 0.00 H new ATOM 0 HB3 LYS A 161 5.137 10.379 -3.138 1.00 0.00 H new ATOM 0 HG2 LYS A 161 5.787 8.425 -4.440 1.00 0.00 H new ATOM 0 HG3 LYS A 161 4.643 7.399 -3.597 1.00 0.00 H new ATOM 0 HD2 LYS A 161 2.743 8.767 -4.520 1.00 0.00 H new ATOM 0 HD3 LYS A 161 3.891 9.781 -5.372 1.00 0.00 H new ATOM 0 HE2 LYS A 161 3.089 8.089 -6.944 1.00 0.00 H new ATOM 0 HE3 LYS A 161 4.761 7.716 -6.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 4.138 5.757 -5.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 3.085 6.494 -4.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 2.531 6.084 -6.193 1.00 0.00 H new ATOM 451 N THR A 162 4.797 10.397 0.064 1.00 0.00 N ATOM 452 CA THR A 162 4.918 11.465 1.050 1.00 0.00 C ATOM 453 C THR A 162 5.915 11.072 2.139 1.00 0.00 C ATOM 454 O THR A 162 6.603 11.924 2.700 1.00 0.00 O ATOM 455 CB THR A 162 3.552 11.778 1.673 1.00 0.00 C ATOM 456 OG1 THR A 162 3.640 12.981 2.422 1.00 0.00 O ATOM 457 CG2 THR A 162 3.124 10.635 2.595 1.00 0.00 C ATOM 0 H THR A 162 3.862 9.999 -0.023 1.00 0.00 H new ATOM 0 HA THR A 162 5.284 12.359 0.546 1.00 0.00 H new ATOM 0 HB THR A 162 2.814 11.892 0.879 1.00 0.00 H new ATOM 0 HG1 THR A 162 2.767 13.183 2.820 1.00 0.00 H new ATOM 0 HG21 THR A 162 2.153 10.865 3.033 1.00 0.00 H new ATOM 0 HG22 THR A 162 3.053 9.711 2.021 1.00 0.00 H new ATOM 0 HG23 THR A 162 3.861 10.513 3.389 1.00 0.00 H new ATOM 465 N LYS A 163 5.989 9.775 2.426 1.00 0.00 N ATOM 466 CA LYS A 163 6.912 9.282 3.441 1.00 0.00 C ATOM 467 C LYS A 163 8.333 9.249 2.883 1.00 0.00 C ATOM 468 O LYS A 163 8.531 9.213 1.669 1.00 0.00 O ATOM 469 CB LYS A 163 6.492 7.875 3.892 1.00 0.00 C ATOM 470 CG LYS A 163 5.308 7.941 4.887 1.00 0.00 C ATOM 471 CD LYS A 163 5.665 8.626 6.228 1.00 0.00 C ATOM 472 CE LYS A 163 7.039 8.181 6.735 1.00 0.00 C ATOM 473 NZ LYS A 163 7.170 8.534 8.177 1.00 0.00 N ATOM 0 H LYS A 163 5.427 9.054 1.975 1.00 0.00 H new ATOM 0 HA LYS A 163 6.885 9.952 4.300 1.00 0.00 H new ATOM 0 HB2 LYS A 163 6.209 7.280 3.023 1.00 0.00 H new ATOM 0 HB3 LYS A 163 7.338 7.372 4.361 1.00 0.00 H new ATOM 0 HG2 LYS A 163 4.482 8.480 4.422 1.00 0.00 H new ATOM 0 HG3 LYS A 163 4.956 6.929 5.088 1.00 0.00 H new ATOM 0 HD2 LYS A 163 5.656 9.708 6.099 1.00 0.00 H new ATOM 0 HD3 LYS A 163 4.906 8.388 6.973 1.00 0.00 H new ATOM 0 HE2 LYS A 163 7.159 7.106 6.600 1.00 0.00 H new ATOM 0 HE3 LYS A 163 7.827 8.665 6.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 163 8.103 8.233 8.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 163 7.073 9.563 8.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 163 6.426 8.053 8.721 1.00 0.00 H new ATOM 487 N LYS A 164 9.319 9.269 3.778 1.00 0.00 N ATOM 488 CA LYS A 164 10.727 9.248 3.372 1.00 0.00 C ATOM 489 C LYS A 164 11.517 8.266 4.230 1.00 0.00 C ATOM 490 O LYS A 164 11.118 7.941 5.347 1.00 0.00 O ATOM 491 CB LYS A 164 11.335 10.651 3.511 1.00 0.00 C ATOM 492 CG LYS A 164 11.031 11.235 4.912 1.00 0.00 C ATOM 493 CD LYS A 164 9.747 12.080 4.876 1.00 0.00 C ATOM 494 CE LYS A 164 9.533 12.735 6.241 1.00 0.00 C ATOM 495 NZ LYS A 164 8.311 13.587 6.197 1.00 0.00 N ATOM 0 H LYS A 164 9.172 9.300 4.787 1.00 0.00 H new ATOM 0 HA LYS A 164 10.779 8.930 2.331 1.00 0.00 H new ATOM 0 HB2 LYS A 164 12.413 10.604 3.356 1.00 0.00 H new ATOM 0 HB3 LYS A 164 10.930 11.308 2.741 1.00 0.00 H new ATOM 0 HG2 LYS A 164 10.921 10.426 5.634 1.00 0.00 H new ATOM 0 HG3 LYS A 164 11.868 11.848 5.246 1.00 0.00 H new ATOM 0 HD2 LYS A 164 9.822 12.843 4.102 1.00 0.00 H new ATOM 0 HD3 LYS A 164 8.892 11.453 4.623 1.00 0.00 H new ATOM 0 HE2 LYS A 164 9.429 11.970 7.011 1.00 0.00 H new ATOM 0 HE3 LYS A 164 10.401 13.339 6.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 8.165 14.033 7.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 8.428 14.325 5.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 7.486 12.999 5.962 1.00 0.00 H new ATOM 509 N SER A 165 12.643 7.800 3.697 1.00 0.00 N ATOM 510 CA SER A 165 13.487 6.858 4.420 1.00 0.00 C ATOM 511 C SER A 165 14.157 7.540 5.608 1.00 0.00 C ATOM 512 O SER A 165 14.022 8.751 5.796 1.00 0.00 O ATOM 513 CB SER A 165 14.556 6.290 3.484 1.00 0.00 C ATOM 514 OG SER A 165 15.607 5.730 4.259 1.00 0.00 O ATOM 0 H SER A 165 12.989 8.058 2.773 1.00 0.00 H new ATOM 0 HA SER A 165 12.860 6.047 4.789 1.00 0.00 H new ATOM 0 HB2 SER A 165 14.121 5.529 2.836 1.00 0.00 H new ATOM 0 HB3 SER A 165 14.945 7.076 2.837 1.00 0.00 H new ATOM 0 HG SER A 165 16.293 5.363 3.663 1.00 0.00 H new ATOM 520 N LYS A 166 14.877 6.761 6.405 1.00 0.00 N ATOM 521 CA LYS A 166 15.563 7.303 7.573 1.00 0.00 C ATOM 522 C LYS A 166 16.504 8.430 7.164 1.00 0.00 C ATOM 523 O LYS A 166 16.727 9.373 7.922 1.00 0.00 O ATOM 524 CB LYS A 166 16.360 6.196 8.272 1.00 0.00 C ATOM 525 CG LYS A 166 15.417 5.063 8.712 1.00 0.00 C ATOM 526 CD LYS A 166 14.769 5.403 10.059 1.00 0.00 C ATOM 527 CE LYS A 166 13.950 4.205 10.546 1.00 0.00 C ATOM 528 NZ LYS A 166 13.308 4.538 11.849 1.00 0.00 N ATOM 0 H LYS A 166 15.001 5.758 6.266 1.00 0.00 H new ATOM 0 HA LYS A 166 14.815 7.700 8.260 1.00 0.00 H new ATOM 0 HB2 LYS A 166 17.122 5.804 7.598 1.00 0.00 H new ATOM 0 HB3 LYS A 166 16.880 6.604 9.139 1.00 0.00 H new ATOM 0 HG2 LYS A 166 14.645 4.910 7.958 1.00 0.00 H new ATOM 0 HG3 LYS A 166 15.973 4.129 8.794 1.00 0.00 H new ATOM 0 HD2 LYS A 166 15.536 5.655 10.791 1.00 0.00 H new ATOM 0 HD3 LYS A 166 14.128 6.278 9.956 1.00 0.00 H new ATOM 0 HE2 LYS A 166 13.189 3.947 9.809 1.00 0.00 H new ATOM 0 HE3 LYS A 166 14.594 3.332 10.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 12.752 3.724 12.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 14.042 4.763 12.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 12.682 5.359 11.728 1.00 0.00 H new ATOM 542 N GLY A 167 17.057 8.326 5.956 1.00 0.00 N ATOM 543 CA GLY A 167 17.976 9.342 5.448 1.00 0.00 C ATOM 544 C GLY A 167 17.222 10.427 4.688 1.00 0.00 C ATOM 545 O GLY A 167 17.766 11.054 3.778 1.00 0.00 O ATOM 0 H GLY A 167 16.885 7.552 5.314 1.00 0.00 H new ATOM 0 HA2 GLY A 167 18.525 9.788 6.277 1.00 0.00 H new ATOM 0 HA3 GLY A 167 18.712 8.877 4.792 1.00 0.00 H new ATOM 549 N ASN A 168 15.965 10.643 5.062 1.00 0.00 N ATOM 550 CA ASN A 168 15.144 11.655 4.406 1.00 0.00 C ATOM 551 C ASN A 168 15.218 11.500 2.890 1.00 0.00 C ATOM 552 O ASN A 168 15.387 12.480 2.164 1.00 0.00 O ATOM 553 CB ASN A 168 15.622 13.052 4.803 1.00 0.00 C ATOM 554 CG ASN A 168 15.558 13.215 6.318 1.00 0.00 C ATOM 555 OD1 ASN A 168 16.514 13.687 6.933 1.00 0.00 O ATOM 556 ND2 ASN A 168 14.482 12.851 6.958 1.00 0.00 N ATOM 0 H ASN A 168 15.495 10.135 5.811 1.00 0.00 H new ATOM 0 HA ASN A 168 14.110 11.522 4.724 1.00 0.00 H new ATOM 0 HB2 ASN A 168 16.643 13.208 4.455 1.00 0.00 H new ATOM 0 HB3 ASN A 168 15.002 13.808 4.321 1.00 0.00 H new ATOM 0 HD21 ASN A 168 14.431 12.957 7.971 1.00 0.00 H new ATOM 0 HD22 ASN A 168 13.691 12.460 6.446 1.00 0.00 H new ATOM 563 N LYS A 169 15.092 10.259 2.419 1.00 0.00 N ATOM 564 CA LYS A 169 15.144 9.969 0.982 1.00 0.00 C ATOM 565 C LYS A 169 13.737 9.661 0.460 1.00 0.00 C ATOM 566 O LYS A 169 12.746 9.883 1.154 1.00 0.00 O ATOM 567 CB LYS A 169 16.093 8.767 0.740 1.00 0.00 C ATOM 568 CG LYS A 169 17.019 9.035 -0.458 1.00 0.00 C ATOM 569 CD LYS A 169 18.027 7.889 -0.597 1.00 0.00 C ATOM 570 CE LYS A 169 17.297 6.571 -0.890 1.00 0.00 C ATOM 571 NZ LYS A 169 18.230 5.635 -1.580 1.00 0.00 N ATOM 0 H LYS A 169 14.953 9.438 3.009 1.00 0.00 H new ATOM 0 HA LYS A 169 15.525 10.837 0.444 1.00 0.00 H new ATOM 0 HB2 LYS A 169 16.690 8.584 1.633 1.00 0.00 H new ATOM 0 HB3 LYS A 169 15.507 7.866 0.558 1.00 0.00 H new ATOM 0 HG2 LYS A 169 16.431 9.128 -1.371 1.00 0.00 H new ATOM 0 HG3 LYS A 169 17.545 9.980 -0.320 1.00 0.00 H new ATOM 0 HD2 LYS A 169 18.730 8.109 -1.400 1.00 0.00 H new ATOM 0 HD3 LYS A 169 18.609 7.794 0.320 1.00 0.00 H new ATOM 0 HE2 LYS A 169 16.938 6.127 0.038 1.00 0.00 H new ATOM 0 HE3 LYS A 169 16.423 6.757 -1.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 17.908 4.656 -1.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 18.248 5.850 -2.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 19.186 5.745 -1.186 1.00 0.00 H new ATOM 585 N ASP A 170 13.661 9.148 -0.769 1.00 0.00 N ATOM 586 CA ASP A 170 12.376 8.807 -1.384 1.00 0.00 C ATOM 587 C ASP A 170 12.218 7.293 -1.478 1.00 0.00 C ATOM 588 O ASP A 170 13.205 6.558 -1.472 1.00 0.00 O ATOM 589 CB ASP A 170 12.294 9.416 -2.786 1.00 0.00 C ATOM 590 CG ASP A 170 10.924 9.137 -3.395 1.00 0.00 C ATOM 591 OD1 ASP A 170 10.763 8.078 -3.983 1.00 0.00 O ATOM 592 OD2 ASP A 170 10.056 9.983 -3.267 1.00 0.00 O ATOM 0 H ASP A 170 14.472 8.960 -1.358 1.00 0.00 H new ATOM 0 HA ASP A 170 11.575 9.210 -0.764 1.00 0.00 H new ATOM 0 HB2 ASP A 170 12.467 10.491 -2.735 1.00 0.00 H new ATOM 0 HB3 ASP A 170 13.075 8.997 -3.420 1.00 0.00 H new ATOM 597 N MET A 171 10.971 6.833 -1.566 1.00 0.00 N ATOM 598 CA MET A 171 10.693 5.400 -1.659 1.00 0.00 C ATOM 599 C MET A 171 9.434 5.151 -2.485 1.00 0.00 C ATOM 600 O MET A 171 8.417 5.821 -2.304 1.00 0.00 O ATOM 601 CB MET A 171 10.503 4.810 -0.259 1.00 0.00 C ATOM 602 CG MET A 171 11.745 5.087 0.591 1.00 0.00 C ATOM 603 SD MET A 171 11.686 4.087 2.101 1.00 0.00 S ATOM 604 CE MET A 171 11.883 2.457 1.332 1.00 0.00 C ATOM 0 H MET A 171 10.142 7.427 -1.575 1.00 0.00 H new ATOM 0 HA MET A 171 11.541 4.918 -2.147 1.00 0.00 H new ATOM 0 HB2 MET A 171 9.623 5.246 0.213 1.00 0.00 H new ATOM 0 HB3 MET A 171 10.329 3.736 -0.327 1.00 0.00 H new ATOM 0 HG2 MET A 171 12.646 4.853 0.023 1.00 0.00 H new ATOM 0 HG3 MET A 171 11.795 6.146 0.846 1.00 0.00 H new ATOM 0 HE1 MET A 171 12.173 1.730 2.090 1.00 0.00 H new ATOM 0 HE2 MET A 171 10.940 2.152 0.879 1.00 0.00 H new ATOM 0 HE3 MET A 171 12.655 2.508 0.564 1.00 0.00 H new ATOM 614 N ILE A 172 9.508 4.171 -3.383 1.00 0.00 N ATOM 615 CA ILE A 172 8.368 3.818 -4.228 1.00 0.00 C ATOM 616 C ILE A 172 7.542 2.735 -3.549 1.00 0.00 C ATOM 617 O ILE A 172 7.795 2.393 -2.398 1.00 0.00 O ATOM 618 CB ILE A 172 8.855 3.322 -5.599 1.00 0.00 C ATOM 619 CG1 ILE A 172 9.665 2.022 -5.454 1.00 0.00 C ATOM 620 CG2 ILE A 172 9.749 4.391 -6.232 1.00 0.00 C ATOM 621 CD1 ILE A 172 9.962 1.449 -6.841 1.00 0.00 C ATOM 0 H ILE A 172 10.343 3.608 -3.545 1.00 0.00 H new ATOM 0 HA ILE A 172 7.750 4.703 -4.376 1.00 0.00 H new ATOM 0 HB ILE A 172 7.985 3.129 -6.227 1.00 0.00 H new ATOM 0 HG12 ILE A 172 10.596 2.219 -4.923 1.00 0.00 H new ATOM 0 HG13 ILE A 172 9.107 1.297 -4.861 1.00 0.00 H new ATOM 0 HG21 ILE A 172 10.097 4.044 -7.205 1.00 0.00 H new ATOM 0 HG22 ILE A 172 9.181 5.313 -6.357 1.00 0.00 H new ATOM 0 HG23 ILE A 172 10.606 4.578 -5.585 1.00 0.00 H new ATOM 0 HD11 ILE A 172 10.536 0.528 -6.739 1.00 0.00 H new ATOM 0 HD12 ILE A 172 9.025 1.237 -7.356 1.00 0.00 H new ATOM 0 HD13 ILE A 172 10.537 2.173 -7.418 1.00 0.00 H new ATOM 633 N VAL A 173 6.574 2.179 -4.277 1.00 0.00 N ATOM 634 CA VAL A 173 5.732 1.105 -3.746 1.00 0.00 C ATOM 635 C VAL A 173 6.008 -0.180 -4.520 1.00 0.00 C ATOM 636 O VAL A 173 5.645 -0.309 -5.690 1.00 0.00 O ATOM 637 CB VAL A 173 4.248 1.485 -3.848 1.00 0.00 C ATOM 638 CG1 VAL A 173 3.376 0.263 -3.533 1.00 0.00 C ATOM 639 CG2 VAL A 173 3.932 2.606 -2.845 1.00 0.00 C ATOM 0 H VAL A 173 6.353 2.453 -5.234 1.00 0.00 H new ATOM 0 HA VAL A 173 5.969 0.949 -2.693 1.00 0.00 H new ATOM 0 HB VAL A 173 4.037 1.830 -4.860 1.00 0.00 H new ATOM 0 HG11 VAL A 173 2.324 0.538 -3.607 1.00 0.00 H new ATOM 0 HG12 VAL A 173 3.594 -0.533 -4.245 1.00 0.00 H new ATOM 0 HG13 VAL A 173 3.590 -0.086 -2.523 1.00 0.00 H new ATOM 0 HG21 VAL A 173 2.878 2.874 -2.919 1.00 0.00 H new ATOM 0 HG22 VAL A 173 4.148 2.261 -1.834 1.00 0.00 H new ATOM 0 HG23 VAL A 173 4.545 3.479 -3.070 1.00 0.00 H new ATOM 649 N ARG A 174 6.670 -1.117 -3.854 1.00 0.00 N ATOM 650 CA ARG A 174 7.024 -2.390 -4.470 1.00 0.00 C ATOM 651 C ARG A 174 5.800 -3.307 -4.570 1.00 0.00 C ATOM 652 O ARG A 174 5.448 -3.764 -5.658 1.00 0.00 O ATOM 653 CB ARG A 174 8.157 -3.042 -3.645 1.00 0.00 C ATOM 654 CG ARG A 174 8.105 -4.576 -3.728 1.00 0.00 C ATOM 655 CD ARG A 174 9.454 -5.163 -3.309 1.00 0.00 C ATOM 656 NE ARG A 174 9.379 -6.619 -3.258 1.00 0.00 N ATOM 657 CZ ARG A 174 10.404 -7.345 -2.825 1.00 0.00 C ATOM 658 NH1 ARG A 174 11.501 -6.757 -2.433 1.00 0.00 N ATOM 659 NH2 ARG A 174 10.313 -8.647 -2.791 1.00 0.00 N ATOM 0 H ARG A 174 6.973 -1.019 -2.885 1.00 0.00 H new ATOM 0 HA ARG A 174 7.376 -2.222 -5.488 1.00 0.00 H new ATOM 0 HB2 ARG A 174 9.122 -2.690 -4.009 1.00 0.00 H new ATOM 0 HB3 ARG A 174 8.076 -2.730 -2.604 1.00 0.00 H new ATOM 0 HG2 ARG A 174 7.315 -4.958 -3.081 1.00 0.00 H new ATOM 0 HG3 ARG A 174 7.863 -4.886 -4.744 1.00 0.00 H new ATOM 0 HD2 ARG A 174 10.226 -4.856 -4.014 1.00 0.00 H new ATOM 0 HD3 ARG A 174 9.741 -4.772 -2.333 1.00 0.00 H new ATOM 0 HE ARG A 174 8.525 -7.088 -3.560 1.00 0.00 H new ATOM 0 HH11 ARG A 174 11.572 -5.740 -2.459 1.00 0.00 H new ATOM 0 HH12 ARG A 174 12.288 -7.315 -2.101 1.00 0.00 H new ATOM 0 HH21 ARG A 174 9.455 -9.106 -3.097 1.00 0.00 H new ATOM 0 HH22 ARG A 174 11.100 -9.205 -2.459 1.00 0.00 H new ATOM 673 N SER A 175 5.165 -3.583 -3.431 1.00 0.00 N ATOM 674 CA SER A 175 3.986 -4.463 -3.400 1.00 0.00 C ATOM 675 C SER A 175 2.748 -3.695 -2.954 1.00 0.00 C ATOM 676 O SER A 175 2.847 -2.592 -2.417 1.00 0.00 O ATOM 677 CB SER A 175 4.236 -5.630 -2.444 1.00 0.00 C ATOM 678 OG SER A 175 3.319 -6.677 -2.733 1.00 0.00 O ATOM 0 H SER A 175 5.441 -3.215 -2.521 1.00 0.00 H new ATOM 0 HA SER A 175 3.815 -4.844 -4.407 1.00 0.00 H new ATOM 0 HB2 SER A 175 5.260 -5.988 -2.549 1.00 0.00 H new ATOM 0 HB3 SER A 175 4.117 -5.301 -1.411 1.00 0.00 H new ATOM 0 HG SER A 175 3.477 -7.428 -2.123 1.00 0.00 H new ATOM 684 N PHE A 176 1.578 -4.289 -3.176 1.00 0.00 N ATOM 685 CA PHE A 176 0.328 -3.651 -2.788 1.00 0.00 C ATOM 686 C PHE A 176 -0.839 -4.640 -2.887 1.00 0.00 C ATOM 687 O PHE A 176 -0.998 -5.340 -3.887 1.00 0.00 O ATOM 688 CB PHE A 176 0.091 -2.412 -3.674 1.00 0.00 C ATOM 689 CG PHE A 176 -1.380 -2.035 -3.704 1.00 0.00 C ATOM 690 CD1 PHE A 176 -1.918 -1.240 -2.690 1.00 0.00 C ATOM 691 CD2 PHE A 176 -2.201 -2.486 -4.744 1.00 0.00 C ATOM 692 CE1 PHE A 176 -3.267 -0.899 -2.706 1.00 0.00 C ATOM 693 CE2 PHE A 176 -3.557 -2.139 -4.761 1.00 0.00 C ATOM 694 CZ PHE A 176 -4.091 -1.345 -3.740 1.00 0.00 C ATOM 0 H PHE A 176 1.472 -5.202 -3.618 1.00 0.00 H new ATOM 0 HA PHE A 176 0.393 -3.330 -1.748 1.00 0.00 H new ATOM 0 HB2 PHE A 176 0.677 -1.574 -3.297 1.00 0.00 H new ATOM 0 HB3 PHE A 176 0.439 -2.614 -4.687 1.00 0.00 H new ATOM 0 HD1 PHE A 176 -1.284 -0.888 -1.890 1.00 0.00 H new ATOM 0 HD2 PHE A 176 -1.789 -3.100 -5.531 1.00 0.00 H new ATOM 0 HE1 PHE A 176 -3.677 -0.288 -1.916 1.00 0.00 H new ATOM 0 HE2 PHE A 176 -4.192 -2.485 -5.563 1.00 0.00 H new ATOM 0 HZ PHE A 176 -5.137 -1.078 -3.752 1.00 0.00 H new ATOM 704 N ALA A 177 -1.646 -4.678 -1.830 1.00 0.00 N ATOM 705 CA ALA A 177 -2.805 -5.568 -1.774 1.00 0.00 C ATOM 706 C ALA A 177 -3.704 -5.162 -0.613 1.00 0.00 C ATOM 707 O ALA A 177 -3.208 -4.786 0.442 1.00 0.00 O ATOM 708 CB ALA A 177 -2.346 -7.015 -1.581 1.00 0.00 C ATOM 0 H ALA A 177 -1.519 -4.102 -0.998 1.00 0.00 H new ATOM 0 HA ALA A 177 -3.358 -5.490 -2.710 1.00 0.00 H new ATOM 0 HB1 ALA A 177 -3.216 -7.670 -1.540 1.00 0.00 H new ATOM 0 HB2 ALA A 177 -1.709 -7.309 -2.415 1.00 0.00 H new ATOM 0 HB3 ALA A 177 -1.786 -7.098 -0.650 1.00 0.00 H new ATOM 714 N VAL A 178 -5.021 -5.229 -0.800 1.00 0.00 N ATOM 715 CA VAL A 178 -5.940 -4.835 0.267 1.00 0.00 C ATOM 716 C VAL A 178 -5.868 -5.813 1.436 1.00 0.00 C ATOM 717 O VAL A 178 -5.325 -6.909 1.307 1.00 0.00 O ATOM 718 CB VAL A 178 -7.378 -4.736 -0.254 1.00 0.00 C ATOM 719 CG1 VAL A 178 -7.484 -3.559 -1.232 1.00 0.00 C ATOM 720 CG2 VAL A 178 -7.776 -6.036 -0.965 1.00 0.00 C ATOM 0 H VAL A 178 -5.469 -5.545 -1.660 1.00 0.00 H new ATOM 0 HA VAL A 178 -5.634 -3.850 0.620 1.00 0.00 H new ATOM 0 HB VAL A 178 -8.052 -4.576 0.587 1.00 0.00 H new ATOM 0 HG11 VAL A 178 -8.506 -3.486 -1.604 1.00 0.00 H new ATOM 0 HG12 VAL A 178 -7.218 -2.635 -0.719 1.00 0.00 H new ATOM 0 HG13 VAL A 178 -6.804 -3.719 -2.069 1.00 0.00 H new ATOM 0 HG21 VAL A 178 -8.800 -5.952 -1.330 1.00 0.00 H new ATOM 0 HG22 VAL A 178 -7.104 -6.212 -1.805 1.00 0.00 H new ATOM 0 HG23 VAL A 178 -7.707 -6.869 -0.265 1.00 0.00 H new ATOM 730 N LEU A 179 -6.390 -5.390 2.594 1.00 0.00 N ATOM 731 CA LEU A 179 -6.348 -6.219 3.806 1.00 0.00 C ATOM 732 C LEU A 179 -7.739 -6.691 4.230 1.00 0.00 C ATOM 733 O LEU A 179 -8.257 -7.684 3.716 1.00 0.00 O ATOM 734 CB LEU A 179 -5.732 -5.413 4.965 1.00 0.00 C ATOM 735 CG LEU A 179 -4.206 -5.284 4.801 1.00 0.00 C ATOM 736 CD1 LEU A 179 -3.636 -4.352 5.913 1.00 0.00 C ATOM 737 CD2 LEU A 179 -3.542 -6.688 4.868 1.00 0.00 C ATOM 0 H LEU A 179 -6.844 -4.485 2.718 1.00 0.00 H new ATOM 0 HA LEU A 179 -5.742 -7.095 3.576 1.00 0.00 H new ATOM 0 HB2 LEU A 179 -6.182 -4.421 5.002 1.00 0.00 H new ATOM 0 HB3 LEU A 179 -5.959 -5.901 5.913 1.00 0.00 H new ATOM 0 HG LEU A 179 -3.983 -4.845 3.828 1.00 0.00 H new ATOM 0 HD11 LEU A 179 -2.556 -4.263 5.795 1.00 0.00 H new ATOM 0 HD12 LEU A 179 -4.093 -3.366 5.831 1.00 0.00 H new ATOM 0 HD13 LEU A 179 -3.860 -4.775 6.892 1.00 0.00 H new ATOM 0 HD21 LEU A 179 -2.463 -6.586 4.751 1.00 0.00 H new ATOM 0 HD22 LEU A 179 -3.761 -7.148 5.832 1.00 0.00 H new ATOM 0 HD23 LEU A 179 -3.936 -7.315 4.068 1.00 0.00 H new ATOM 749 N GLU A 180 -8.310 -5.991 5.206 1.00 0.00 N ATOM 750 CA GLU A 180 -9.617 -6.358 5.745 1.00 0.00 C ATOM 751 C GLU A 180 -10.745 -6.047 4.756 1.00 0.00 C ATOM 752 O GLU A 180 -10.673 -5.060 4.023 1.00 0.00 O ATOM 753 CB GLU A 180 -9.863 -5.597 7.049 1.00 0.00 C ATOM 754 CG GLU A 180 -8.958 -6.154 8.150 1.00 0.00 C ATOM 755 CD GLU A 180 -8.969 -5.222 9.355 1.00 0.00 C ATOM 756 OE1 GLU A 180 -10.044 -4.787 9.734 1.00 0.00 O ATOM 757 OE2 GLU A 180 -7.901 -4.956 9.884 1.00 0.00 O ATOM 0 H GLU A 180 -7.890 -5.169 5.639 1.00 0.00 H new ATOM 0 HA GLU A 180 -9.614 -7.433 5.928 1.00 0.00 H new ATOM 0 HB2 GLU A 180 -9.665 -4.535 6.904 1.00 0.00 H new ATOM 0 HB3 GLU A 180 -10.909 -5.689 7.343 1.00 0.00 H new ATOM 0 HG2 GLU A 180 -9.299 -7.147 8.445 1.00 0.00 H new ATOM 0 HG3 GLU A 180 -7.941 -6.264 7.775 1.00 0.00 H new ATOM 764 N PRO A 181 -11.788 -6.853 4.722 1.00 0.00 N ATOM 765 CA PRO A 181 -12.945 -6.630 3.805 1.00 0.00 C ATOM 766 C PRO A 181 -13.918 -5.569 4.326 1.00 0.00 C ATOM 767 O PRO A 181 -14.128 -5.426 5.531 1.00 0.00 O ATOM 768 CB PRO A 181 -13.616 -8.004 3.768 1.00 0.00 C ATOM 769 CG PRO A 181 -13.387 -8.552 5.135 1.00 0.00 C ATOM 770 CD PRO A 181 -11.990 -8.072 5.540 1.00 0.00 C ATOM 0 HA PRO A 181 -12.631 -6.258 2.830 1.00 0.00 H new ATOM 0 HB2 PRO A 181 -14.679 -7.923 3.543 1.00 0.00 H new ATOM 0 HB3 PRO A 181 -13.176 -8.643 3.003 1.00 0.00 H new ATOM 0 HG2 PRO A 181 -14.143 -8.193 5.833 1.00 0.00 H new ATOM 0 HG3 PRO A 181 -13.443 -9.641 5.136 1.00 0.00 H new ATOM 0 HD2 PRO A 181 -11.935 -7.853 6.606 1.00 0.00 H new ATOM 0 HD3 PRO A 181 -11.231 -8.826 5.330 1.00 0.00 H new ATOM 778 N CYS A 182 -14.514 -4.844 3.387 1.00 0.00 N ATOM 779 CA CYS A 182 -15.489 -3.789 3.682 1.00 0.00 C ATOM 780 C CYS A 182 -16.680 -3.960 2.739 1.00 0.00 C ATOM 781 O CYS A 182 -16.791 -4.988 2.074 1.00 0.00 O ATOM 782 CB CYS A 182 -14.854 -2.407 3.505 1.00 0.00 C ATOM 783 SG CYS A 182 -15.686 -1.171 4.529 1.00 0.00 S ATOM 0 H CYS A 182 -14.336 -4.969 2.390 1.00 0.00 H new ATOM 0 HA CYS A 182 -15.822 -3.868 4.717 1.00 0.00 H new ATOM 0 HB2 CYS A 182 -13.798 -2.452 3.771 1.00 0.00 H new ATOM 0 HB3 CYS A 182 -14.907 -2.111 2.457 1.00 0.00 H new ATOM 788 N ALA A 183 -17.574 -2.972 2.709 1.00 0.00 N ATOM 789 CA ALA A 183 -18.764 -3.037 1.852 1.00 0.00 C ATOM 790 C ALA A 183 -18.475 -3.752 0.524 1.00 0.00 C ATOM 791 O ALA A 183 -17.321 -3.911 0.133 1.00 0.00 O ATOM 792 CB ALA A 183 -19.265 -1.620 1.560 1.00 0.00 C ATOM 0 H ALA A 183 -17.500 -2.120 3.264 1.00 0.00 H new ATOM 0 HA ALA A 183 -19.524 -3.608 2.386 1.00 0.00 H new ATOM 0 HB1 ALA A 183 -20.148 -1.670 0.924 1.00 0.00 H new ATOM 0 HB2 ALA A 183 -19.520 -1.124 2.497 1.00 0.00 H new ATOM 0 HB3 ALA A 183 -18.483 -1.055 1.052 1.00 0.00 H new ATOM 798 N LEU A 184 -19.553 -4.185 -0.143 1.00 0.00 N ATOM 799 CA LEU A 184 -19.477 -4.916 -1.422 1.00 0.00 C ATOM 800 C LEU A 184 -18.111 -4.812 -2.103 1.00 0.00 C ATOM 801 O LEU A 184 -17.400 -5.811 -2.226 1.00 0.00 O ATOM 802 CB LEU A 184 -20.543 -4.370 -2.382 1.00 0.00 C ATOM 803 CG LEU A 184 -20.708 -5.320 -3.596 1.00 0.00 C ATOM 804 CD1 LEU A 184 -21.784 -6.368 -3.299 1.00 0.00 C ATOM 805 CD2 LEU A 184 -21.120 -4.513 -4.834 1.00 0.00 C ATOM 0 H LEU A 184 -20.507 -4.039 0.187 1.00 0.00 H new ATOM 0 HA LEU A 184 -19.645 -5.968 -1.189 1.00 0.00 H new ATOM 0 HB2 LEU A 184 -21.494 -4.267 -1.860 1.00 0.00 H new ATOM 0 HB3 LEU A 184 -20.258 -3.375 -2.725 1.00 0.00 H new ATOM 0 HG LEU A 184 -19.757 -5.819 -3.783 1.00 0.00 H new ATOM 0 HD11 LEU A 184 -21.893 -7.031 -4.157 1.00 0.00 H new ATOM 0 HD12 LEU A 184 -21.493 -6.951 -2.425 1.00 0.00 H new ATOM 0 HD13 LEU A 184 -22.733 -5.869 -3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -21.235 -5.185 -5.685 1.00 0.00 H new ATOM 0 HD22 LEU A 184 -22.066 -4.008 -4.641 1.00 0.00 H new ATOM 0 HD23 LEU A 184 -20.352 -3.772 -5.058 1.00 0.00 H new ATOM 817 N ASP A 185 -17.754 -3.613 -2.560 1.00 0.00 N ATOM 818 CA ASP A 185 -16.474 -3.399 -3.247 1.00 0.00 C ATOM 819 C ASP A 185 -15.635 -2.373 -2.498 1.00 0.00 C ATOM 820 O ASP A 185 -15.420 -1.263 -2.982 1.00 0.00 O ATOM 821 CB ASP A 185 -16.743 -2.906 -4.674 1.00 0.00 C ATOM 822 CG ASP A 185 -15.498 -3.084 -5.537 1.00 0.00 C ATOM 823 OD1 ASP A 185 -15.327 -4.163 -6.080 1.00 0.00 O ATOM 824 OD2 ASP A 185 -14.732 -2.140 -5.641 1.00 0.00 O ATOM 0 H ASP A 185 -18.328 -2.775 -2.469 1.00 0.00 H new ATOM 0 HA ASP A 185 -15.925 -4.340 -3.279 1.00 0.00 H new ATOM 0 HB2 ASP A 185 -17.576 -3.460 -5.107 1.00 0.00 H new ATOM 0 HB3 ASP A 185 -17.034 -1.856 -4.655 1.00 0.00 H new ATOM 829 N MET A 186 -15.173 -2.753 -1.310 1.00 0.00 N ATOM 830 CA MET A 186 -14.372 -1.856 -0.486 1.00 0.00 C ATOM 831 C MET A 186 -13.550 -2.640 0.534 1.00 0.00 C ATOM 832 O MET A 186 -13.837 -3.804 0.813 1.00 0.00 O ATOM 833 CB MET A 186 -15.287 -0.854 0.234 1.00 0.00 C ATOM 834 CG MET A 186 -15.839 0.183 -0.751 1.00 0.00 C ATOM 835 SD MET A 186 -16.396 1.639 0.171 1.00 0.00 S ATOM 836 CE MET A 186 -16.016 2.880 -1.091 1.00 0.00 C ATOM 0 H MET A 186 -15.339 -3.672 -0.899 1.00 0.00 H new ATOM 0 HA MET A 186 -13.683 -1.315 -1.135 1.00 0.00 H new ATOM 0 HB2 MET A 186 -16.111 -1.385 0.711 1.00 0.00 H new ATOM 0 HB3 MET A 186 -14.732 -0.351 1.026 1.00 0.00 H new ATOM 0 HG2 MET A 186 -15.070 0.465 -1.470 1.00 0.00 H new ATOM 0 HG3 MET A 186 -16.667 -0.241 -1.319 1.00 0.00 H new ATOM 0 HE1 MET A 186 -16.169 3.877 -0.679 1.00 0.00 H new ATOM 0 HE2 MET A 186 -14.978 2.773 -1.405 1.00 0.00 H new ATOM 0 HE3 MET A 186 -16.672 2.738 -1.950 1.00 0.00 H new ATOM 846 N PHE A 187 -12.523 -1.989 1.095 1.00 0.00 N ATOM 847 CA PHE A 187 -11.654 -2.625 2.094 1.00 0.00 C ATOM 848 C PHE A 187 -11.416 -1.692 3.286 1.00 0.00 C ATOM 849 O PHE A 187 -11.128 -0.508 3.112 1.00 0.00 O ATOM 850 CB PHE A 187 -10.329 -2.995 1.439 1.00 0.00 C ATOM 851 CG PHE A 187 -10.627 -3.950 0.315 1.00 0.00 C ATOM 852 CD1 PHE A 187 -10.709 -5.321 0.570 1.00 0.00 C ATOM 853 CD2 PHE A 187 -10.855 -3.460 -0.975 1.00 0.00 C ATOM 854 CE1 PHE A 187 -11.012 -6.208 -0.466 1.00 0.00 C ATOM 855 CE2 PHE A 187 -11.163 -4.342 -2.011 1.00 0.00 C ATOM 856 CZ PHE A 187 -11.240 -5.720 -1.760 1.00 0.00 C ATOM 0 H PHE A 187 -12.274 -1.025 0.875 1.00 0.00 H new ATOM 0 HA PHE A 187 -12.142 -3.525 2.468 1.00 0.00 H new ATOM 0 HB2 PHE A 187 -9.827 -2.104 1.061 1.00 0.00 H new ATOM 0 HB3 PHE A 187 -9.659 -3.455 2.165 1.00 0.00 H new ATOM 0 HD1 PHE A 187 -10.538 -5.695 1.568 1.00 0.00 H new ATOM 0 HD2 PHE A 187 -10.793 -2.399 -1.169 1.00 0.00 H new ATOM 0 HE1 PHE A 187 -11.070 -7.268 -0.270 1.00 0.00 H new ATOM 0 HE2 PHE A 187 -11.342 -3.964 -3.007 1.00 0.00 H new ATOM 0 HZ PHE A 187 -11.475 -6.404 -2.562 1.00 0.00 H new ATOM 866 N THR A 188 -11.564 -2.237 4.497 1.00 0.00 N ATOM 867 CA THR A 188 -11.393 -1.445 5.716 1.00 0.00 C ATOM 868 C THR A 188 -9.936 -1.020 5.897 1.00 0.00 C ATOM 869 O THR A 188 -9.642 -0.101 6.661 1.00 0.00 O ATOM 870 CB THR A 188 -11.855 -2.235 6.969 1.00 0.00 C ATOM 871 OG1 THR A 188 -10.723 -2.645 7.723 1.00 0.00 O ATOM 872 CG2 THR A 188 -12.658 -3.475 6.565 1.00 0.00 C ATOM 0 H THR A 188 -11.800 -3.216 4.658 1.00 0.00 H new ATOM 0 HA THR A 188 -12.014 -0.555 5.609 1.00 0.00 H new ATOM 0 HB THR A 188 -12.488 -1.581 7.569 1.00 0.00 H new ATOM 0 HG1 THR A 188 -10.956 -3.429 8.262 1.00 0.00 H new ATOM 0 HG21 THR A 188 -12.971 -4.013 7.460 1.00 0.00 H new ATOM 0 HG22 THR A 188 -13.538 -3.170 5.998 1.00 0.00 H new ATOM 0 HG23 THR A 188 -12.037 -4.126 5.949 1.00 0.00 H new ATOM 880 N GLY A 189 -9.027 -1.698 5.205 1.00 0.00 N ATOM 881 CA GLY A 189 -7.609 -1.379 5.319 1.00 0.00 C ATOM 882 C GLY A 189 -6.819 -1.986 4.171 1.00 0.00 C ATOM 883 O GLY A 189 -7.302 -2.881 3.480 1.00 0.00 O ATOM 0 H GLY A 189 -9.243 -2.463 4.566 1.00 0.00 H new ATOM 0 HA2 GLY A 189 -7.476 -0.297 5.325 1.00 0.00 H new ATOM 0 HA3 GLY A 189 -7.224 -1.753 6.268 1.00 0.00 H new ATOM 887 N VAL A 190 -5.597 -1.490 3.967 1.00 0.00 N ATOM 888 CA VAL A 190 -4.752 -2.000 2.885 1.00 0.00 C ATOM 889 C VAL A 190 -3.281 -2.064 3.293 1.00 0.00 C ATOM 890 O VAL A 190 -2.784 -1.200 4.016 1.00 0.00 O ATOM 891 CB VAL A 190 -4.913 -1.106 1.640 1.00 0.00 C ATOM 892 CG1 VAL A 190 -4.487 0.330 1.973 1.00 0.00 C ATOM 893 CG2 VAL A 190 -4.058 -1.645 0.461 1.00 0.00 C ATOM 0 H VAL A 190 -5.176 -0.748 4.526 1.00 0.00 H new ATOM 0 HA VAL A 190 -5.075 -3.016 2.658 1.00 0.00 H new ATOM 0 HB VAL A 190 -5.961 -1.116 1.341 1.00 0.00 H new ATOM 0 HG11 VAL A 190 -4.603 0.958 1.090 1.00 0.00 H new ATOM 0 HG12 VAL A 190 -5.112 0.717 2.778 1.00 0.00 H new ATOM 0 HG13 VAL A 190 -3.444 0.336 2.288 1.00 0.00 H new ATOM 0 HG21 VAL A 190 -4.187 -0.999 -0.407 1.00 0.00 H new ATOM 0 HG22 VAL A 190 -3.007 -1.659 0.750 1.00 0.00 H new ATOM 0 HG23 VAL A 190 -4.379 -2.656 0.211 1.00 0.00 H new ATOM 903 N GLU A 191 -2.589 -3.096 2.803 1.00 0.00 N ATOM 904 CA GLU A 191 -1.165 -3.282 3.093 1.00 0.00 C ATOM 905 C GLU A 191 -0.341 -3.069 1.827 1.00 0.00 C ATOM 906 O GLU A 191 -0.743 -3.481 0.739 1.00 0.00 O ATOM 907 CB GLU A 191 -0.924 -4.693 3.654 1.00 0.00 C ATOM 908 CG GLU A 191 -1.163 -5.773 2.589 1.00 0.00 C ATOM 909 CD GLU A 191 -0.846 -7.146 3.170 1.00 0.00 C ATOM 910 OE1 GLU A 191 0.028 -7.220 4.019 1.00 0.00 O ATOM 911 OE2 GLU A 191 -1.482 -8.102 2.760 1.00 0.00 O ATOM 0 H GLU A 191 -2.992 -3.816 2.203 1.00 0.00 H new ATOM 0 HA GLU A 191 -0.856 -2.550 3.839 1.00 0.00 H new ATOM 0 HB2 GLU A 191 0.098 -4.768 4.026 1.00 0.00 H new ATOM 0 HB3 GLU A 191 -1.586 -4.866 4.503 1.00 0.00 H new ATOM 0 HG2 GLU A 191 -2.199 -5.741 2.251 1.00 0.00 H new ATOM 0 HG3 GLU A 191 -0.537 -5.583 1.717 1.00 0.00 H new ATOM 918 N PHE A 192 0.817 -2.430 1.974 1.00 0.00 N ATOM 919 CA PHE A 192 1.687 -2.181 0.827 1.00 0.00 C ATOM 920 C PHE A 192 3.141 -2.066 1.263 1.00 0.00 C ATOM 921 O PHE A 192 3.441 -1.574 2.351 1.00 0.00 O ATOM 922 CB PHE A 192 1.264 -0.907 0.090 1.00 0.00 C ATOM 923 CG PHE A 192 1.133 0.254 1.050 1.00 0.00 C ATOM 924 CD1 PHE A 192 0.058 0.304 1.948 1.00 0.00 C ATOM 925 CD2 PHE A 192 2.075 1.291 1.029 1.00 0.00 C ATOM 926 CE1 PHE A 192 -0.071 1.387 2.826 1.00 0.00 C ATOM 927 CE2 PHE A 192 1.944 2.375 1.906 1.00 0.00 C ATOM 928 CZ PHE A 192 0.872 2.422 2.804 1.00 0.00 C ATOM 0 H PHE A 192 1.172 -2.079 2.864 1.00 0.00 H new ATOM 0 HA PHE A 192 1.591 -3.029 0.148 1.00 0.00 H new ATOM 0 HB2 PHE A 192 1.998 -0.667 -0.679 1.00 0.00 H new ATOM 0 HB3 PHE A 192 0.314 -1.074 -0.417 1.00 0.00 H new ATOM 0 HD1 PHE A 192 -0.671 -0.493 1.963 1.00 0.00 H new ATOM 0 HD2 PHE A 192 2.903 1.254 0.336 1.00 0.00 H new ATOM 0 HE1 PHE A 192 -0.898 1.424 3.520 1.00 0.00 H new ATOM 0 HE2 PHE A 192 2.670 3.174 1.889 1.00 0.00 H new ATOM 0 HZ PHE A 192 0.772 3.258 3.481 1.00 0.00 H new ATOM 938 N VAL A 193 4.042 -2.531 0.399 1.00 0.00 N ATOM 939 CA VAL A 193 5.480 -2.489 0.689 1.00 0.00 C ATOM 940 C VAL A 193 6.140 -1.327 -0.042 1.00 0.00 C ATOM 941 O VAL A 193 5.714 -0.941 -1.131 1.00 0.00 O ATOM 942 CB VAL A 193 6.143 -3.798 0.254 1.00 0.00 C ATOM 943 CG1 VAL A 193 7.660 -3.704 0.455 1.00 0.00 C ATOM 944 CG2 VAL A 193 5.591 -4.954 1.093 1.00 0.00 C ATOM 0 H VAL A 193 3.806 -2.940 -0.505 1.00 0.00 H new ATOM 0 HA VAL A 193 5.607 -2.354 1.763 1.00 0.00 H new ATOM 0 HB VAL A 193 5.929 -3.975 -0.800 1.00 0.00 H new ATOM 0 HG11 VAL A 193 8.127 -4.638 0.144 1.00 0.00 H new ATOM 0 HG12 VAL A 193 8.056 -2.884 -0.143 1.00 0.00 H new ATOM 0 HG13 VAL A 193 7.877 -3.523 1.508 1.00 0.00 H new ATOM 0 HG21 VAL A 193 6.063 -5.886 0.783 1.00 0.00 H new ATOM 0 HG22 VAL A 193 5.803 -4.772 2.147 1.00 0.00 H new ATOM 0 HG23 VAL A 193 4.513 -5.027 0.947 1.00 0.00 H new ATOM 954 N CYS A 194 7.193 -0.780 0.564 1.00 0.00 N ATOM 955 CA CYS A 194 7.932 0.337 -0.030 1.00 0.00 C ATOM 956 C CYS A 194 9.377 -0.069 -0.298 1.00 0.00 C ATOM 957 O CYS A 194 9.917 -0.941 0.378 1.00 0.00 O ATOM 958 CB CYS A 194 7.909 1.539 0.918 1.00 0.00 C ATOM 959 SG CYS A 194 6.275 2.311 0.875 1.00 0.00 S ATOM 0 H CYS A 194 7.555 -1.091 1.466 1.00 0.00 H new ATOM 0 HA CYS A 194 7.456 0.607 -0.973 1.00 0.00 H new ATOM 0 HB2 CYS A 194 8.145 1.219 1.933 1.00 0.00 H new ATOM 0 HB3 CYS A 194 8.672 2.261 0.625 1.00 0.00 H new ATOM 964 N CYS A 195 10.003 0.569 -1.290 1.00 0.00 N ATOM 965 CA CYS A 195 11.394 0.259 -1.638 1.00 0.00 C ATOM 966 C CYS A 195 12.155 1.540 -2.020 1.00 0.00 C ATOM 967 O CYS A 195 11.575 2.445 -2.618 1.00 0.00 O ATOM 968 CB CYS A 195 11.414 -0.733 -2.804 1.00 0.00 C ATOM 969 SG CYS A 195 11.045 -2.393 -2.182 1.00 0.00 S ATOM 0 H CYS A 195 9.575 1.297 -1.862 1.00 0.00 H new ATOM 0 HA CYS A 195 11.887 -0.185 -0.773 1.00 0.00 H new ATOM 0 HB2 CYS A 195 10.681 -0.443 -3.556 1.00 0.00 H new ATOM 0 HB3 CYS A 195 12.390 -0.722 -3.289 1.00 0.00 H new ATOM 974 N PRO A 196 13.429 1.644 -1.689 1.00 0.00 N ATOM 975 CA PRO A 196 14.248 2.856 -2.015 1.00 0.00 C ATOM 976 C PRO A 196 14.638 2.916 -3.493 1.00 0.00 C ATOM 977 O PRO A 196 15.426 3.771 -3.900 1.00 0.00 O ATOM 978 CB PRO A 196 15.485 2.690 -1.127 1.00 0.00 C ATOM 979 CG PRO A 196 15.656 1.212 -1.004 1.00 0.00 C ATOM 980 CD PRO A 196 14.238 0.633 -0.973 1.00 0.00 C ATOM 0 HA PRO A 196 13.703 3.783 -1.837 1.00 0.00 H new ATOM 0 HB2 PRO A 196 16.362 3.156 -1.576 1.00 0.00 H new ATOM 0 HB3 PRO A 196 15.340 3.156 -0.152 1.00 0.00 H new ATOM 0 HG2 PRO A 196 16.224 0.812 -1.844 1.00 0.00 H new ATOM 0 HG3 PRO A 196 16.204 0.955 -0.097 1.00 0.00 H new ATOM 0 HD2 PRO A 196 14.192 -0.338 -1.465 1.00 0.00 H new ATOM 0 HD3 PRO A 196 13.887 0.490 0.049 1.00 0.00 H new ATOM 988 N ASN A 197 14.087 2.008 -4.287 1.00 0.00 N ATOM 989 CA ASN A 197 14.388 1.972 -5.713 1.00 0.00 C ATOM 990 C ASN A 197 14.307 3.376 -6.310 1.00 0.00 C ATOM 991 O ASN A 197 13.598 4.195 -5.751 1.00 0.00 O ATOM 992 CB ASN A 197 13.396 1.046 -6.423 1.00 0.00 C ATOM 993 CG ASN A 197 13.781 -0.414 -6.213 1.00 0.00 C ATOM 994 OD1 ASN A 197 14.888 -0.708 -5.760 1.00 0.00 O ATOM 995 ND2 ASN A 197 12.925 -1.348 -6.518 1.00 0.00 N ATOM 996 OXT ASN A 197 14.955 3.608 -7.317 1.00 0.00 O ATOM 0 H ASN A 197 13.434 1.291 -3.972 1.00 0.00 H new ATOM 0 HA ASN A 197 15.401 1.593 -5.851 1.00 0.00 H new ATOM 0 HB2 ASN A 197 12.390 1.221 -6.042 1.00 0.00 H new ATOM 0 HB3 ASN A 197 13.377 1.273 -7.489 1.00 0.00 H new ATOM 0 HD21 ASN A 197 13.170 -2.329 -6.382 1.00 0.00 H new ATOM 0 HD22 ASN A 197 12.010 -1.098 -6.893 1.00 0.00 H new TER 1003 ASN A 197