USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 454 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 Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 144 ASN : amide:sc=-0.00973 X(o=-0.0097,f=-0.01) USER MOD Single : A 146 ASN : amide:sc= -0.528 K(o=-0.53,f=-2.2!) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 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 168 GLN : amide:sc= -0.124 K(o=-0.12,f=-0.76) USER MOD Single : A 171 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 175 SER OG : rot 180:sc= 0 USER MOD Single : A 178 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 181 MET CE :methyl -163:sc= -5.34! (180deg=-6.13!) USER MOD Single : A 186 TYR OH : rot -101:sc= 0.827 USER MOD Single : A 189 LYS NZ :NH3+ -159:sc= -1.27 (180deg=-2.01!) USER MOD Single : A 190 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 134 2.171 2.391 -6.337 1.00 0.00 N ATOM 2 CA ALA A 134 2.435 3.663 -5.686 1.00 0.00 C ATOM 3 C ALA A 134 2.255 3.504 -4.174 1.00 0.00 C ATOM 4 O ALA A 134 1.142 3.609 -3.664 1.00 0.00 O ATOM 5 CB ALA A 134 1.517 4.737 -6.272 1.00 0.00 C ATOM 0 HA ALA A 134 3.463 3.980 -5.865 1.00 0.00 H new ATOM 0 HB1 ALA A 134 1.715 5.691 -5.784 1.00 0.00 H new ATOM 0 HB2 ALA A 134 1.704 4.831 -7.342 1.00 0.00 H new ATOM 0 HB3 ALA A 134 0.477 4.455 -6.109 1.00 0.00 H new ATOM 11 N GLU A 135 3.369 3.254 -3.502 1.00 0.00 N ATOM 12 CA GLU A 135 3.348 3.080 -2.059 1.00 0.00 C ATOM 13 C GLU A 135 4.605 3.689 -1.433 1.00 0.00 C ATOM 14 O GLU A 135 5.324 4.444 -2.084 1.00 0.00 O ATOM 15 CB GLU A 135 3.211 1.602 -1.687 1.00 0.00 C ATOM 16 CG GLU A 135 1.922 1.352 -0.902 1.00 0.00 C ATOM 17 CD GLU A 135 2.047 0.102 -0.029 1.00 0.00 C ATOM 18 OE1 GLU A 135 2.608 0.237 1.080 1.00 0.00 O ATOM 19 OE2 GLU A 135 1.577 -0.961 -0.489 1.00 0.00 O ATOM 0 H GLU A 135 4.291 3.168 -3.929 1.00 0.00 H new ATOM 0 HA GLU A 135 2.478 3.603 -1.662 1.00 0.00 H new ATOM 0 HB2 GLU A 135 3.214 0.994 -2.592 1.00 0.00 H new ATOM 0 HB3 GLU A 135 4.070 1.292 -1.092 1.00 0.00 H new ATOM 0 HG2 GLU A 135 1.699 2.216 -0.276 1.00 0.00 H new ATOM 0 HG3 GLU A 135 1.087 1.235 -1.593 1.00 0.00 H new ATOM 26 N TYR A 136 4.831 3.337 -0.176 1.00 0.00 N ATOM 27 CA TYR A 136 5.988 3.839 0.545 1.00 0.00 C ATOM 28 C TYR A 136 6.476 2.820 1.577 1.00 0.00 C ATOM 29 O TYR A 136 5.724 2.424 2.467 1.00 0.00 O ATOM 30 CB TYR A 136 5.517 5.099 1.274 1.00 0.00 C ATOM 31 CG TYR A 136 5.154 6.257 0.343 1.00 0.00 C ATOM 32 CD1 TYR A 136 3.983 6.216 -0.386 1.00 0.00 C ATOM 33 CD2 TYR A 136 5.999 7.343 0.230 1.00 0.00 C ATOM 34 CE1 TYR A 136 3.641 7.306 -1.263 1.00 0.00 C ATOM 35 CE2 TYR A 136 5.657 8.433 -0.646 1.00 0.00 C ATOM 36 CZ TYR A 136 4.495 8.361 -1.349 1.00 0.00 C ATOM 37 OH TYR A 136 4.173 9.390 -2.178 1.00 0.00 O ATOM 0 H TYR A 136 4.232 2.710 0.362 1.00 0.00 H new ATOM 0 HA TYR A 136 6.811 4.036 -0.141 1.00 0.00 H new ATOM 0 HB2 TYR A 136 4.648 4.850 1.884 1.00 0.00 H new ATOM 0 HB3 TYR A 136 6.302 5.427 1.956 1.00 0.00 H new ATOM 0 HD1 TYR A 136 3.323 5.366 -0.299 1.00 0.00 H new ATOM 0 HD2 TYR A 136 6.917 7.375 0.799 1.00 0.00 H new ATOM 0 HE1 TYR A 136 2.728 7.286 -1.839 1.00 0.00 H new ATOM 0 HE2 TYR A 136 6.309 9.289 -0.743 1.00 0.00 H new ATOM 0 HH TYR A 136 4.874 10.074 -2.138 1.00 0.00 H new ATOM 47 N VAL A 137 7.731 2.424 1.424 1.00 0.00 N ATOM 48 CA VAL A 137 8.327 1.459 2.332 1.00 0.00 C ATOM 49 C VAL A 137 9.734 1.924 2.713 1.00 0.00 C ATOM 50 O VAL A 137 10.384 2.635 1.948 1.00 0.00 O ATOM 51 CB VAL A 137 8.309 0.066 1.699 1.00 0.00 C ATOM 52 CG1 VAL A 137 6.884 -0.350 1.328 1.00 0.00 C ATOM 53 CG2 VAL A 137 9.234 0.004 0.481 1.00 0.00 C ATOM 0 H VAL A 137 8.352 2.754 0.685 1.00 0.00 H new ATOM 0 HA VAL A 137 7.747 1.392 3.252 1.00 0.00 H new ATOM 0 HB VAL A 137 8.682 -0.642 2.439 1.00 0.00 H new ATOM 0 HG11 VAL A 137 6.900 -1.344 0.880 1.00 0.00 H new ATOM 0 HG12 VAL A 137 6.265 -0.366 2.225 1.00 0.00 H new ATOM 0 HG13 VAL A 137 6.471 0.363 0.614 1.00 0.00 H new ATOM 0 HG21 VAL A 137 9.202 -0.997 0.051 1.00 0.00 H new ATOM 0 HG22 VAL A 137 8.905 0.730 -0.263 1.00 0.00 H new ATOM 0 HG23 VAL A 137 10.254 0.235 0.787 1.00 0.00 H new ATOM 63 N ARG A 138 10.162 1.505 3.894 1.00 0.00 N ATOM 64 CA ARG A 138 11.479 1.870 4.386 1.00 0.00 C ATOM 65 C ARG A 138 12.285 0.616 4.730 1.00 0.00 C ATOM 66 O ARG A 138 11.728 -0.371 5.210 1.00 0.00 O ATOM 67 CB ARG A 138 11.377 2.758 5.627 1.00 0.00 C ATOM 68 CG ARG A 138 10.790 1.985 6.809 1.00 0.00 C ATOM 69 CD ARG A 138 9.868 2.875 7.644 1.00 0.00 C ATOM 70 NE ARG A 138 9.300 3.950 6.799 1.00 0.00 N ATOM 71 CZ ARG A 138 9.263 5.242 7.153 1.00 0.00 C ATOM 72 NH1 ARG A 138 9.757 5.628 8.337 1.00 0.00 N ATOM 73 NH2 ARG A 138 8.728 6.148 6.323 1.00 0.00 N ATOM 0 H ARG A 138 9.619 0.916 4.525 1.00 0.00 H new ATOM 0 HA ARG A 138 11.985 2.425 3.596 1.00 0.00 H new ATOM 0 HB2 ARG A 138 12.365 3.136 5.890 1.00 0.00 H new ATOM 0 HB3 ARG A 138 10.752 3.624 5.408 1.00 0.00 H new ATOM 0 HG2 ARG A 138 10.234 1.122 6.443 1.00 0.00 H new ATOM 0 HG3 ARG A 138 11.597 1.603 7.435 1.00 0.00 H new ATOM 0 HD2 ARG A 138 9.065 2.277 8.075 1.00 0.00 H new ATOM 0 HD3 ARG A 138 10.423 3.310 8.475 1.00 0.00 H new ATOM 0 HE ARG A 138 8.913 3.691 5.891 1.00 0.00 H new ATOM 0 HH11 ARG A 138 10.162 4.938 8.970 1.00 0.00 H new ATOM 0 HH12 ARG A 138 9.728 6.612 8.605 1.00 0.00 H new ATOM 0 HH21 ARG A 138 8.349 5.854 5.423 1.00 0.00 H new ATOM 0 HH22 ARG A 138 8.699 7.132 6.592 1.00 0.00 H new ATOM 87 N ALA A 139 13.581 0.694 4.470 1.00 0.00 N ATOM 88 CA ALA A 139 14.469 -0.423 4.747 1.00 0.00 C ATOM 89 C ALA A 139 15.243 -0.146 6.037 1.00 0.00 C ATOM 90 O ALA A 139 15.996 0.823 6.117 1.00 0.00 O ATOM 91 CB ALA A 139 15.393 -0.649 3.549 1.00 0.00 C ATOM 0 H ALA A 139 14.038 1.513 4.070 1.00 0.00 H new ATOM 0 HA ALA A 139 13.898 -1.340 4.896 1.00 0.00 H new ATOM 0 HB1 ALA A 139 16.059 -1.487 3.756 1.00 0.00 H new ATOM 0 HB2 ALA A 139 14.795 -0.871 2.665 1.00 0.00 H new ATOM 0 HB3 ALA A 139 15.984 0.249 3.371 1.00 0.00 H new ATOM 97 N LEU A 140 15.033 -1.016 7.014 1.00 0.00 N ATOM 98 CA LEU A 140 15.702 -0.878 8.296 1.00 0.00 C ATOM 99 C LEU A 140 16.702 -2.023 8.471 1.00 0.00 C ATOM 100 O LEU A 140 16.934 -2.483 9.588 1.00 0.00 O ATOM 101 CB LEU A 140 14.677 -0.778 9.428 1.00 0.00 C ATOM 102 CG LEU A 140 13.213 -0.970 9.025 1.00 0.00 C ATOM 103 CD1 LEU A 140 12.886 -2.453 8.836 1.00 0.00 C ATOM 104 CD2 LEU A 140 12.276 -0.300 10.032 1.00 0.00 C ATOM 0 H LEU A 140 14.409 -1.819 6.943 1.00 0.00 H new ATOM 0 HA LEU A 140 16.271 0.051 8.330 1.00 0.00 H new ATOM 0 HB2 LEU A 140 14.926 -1.523 10.184 1.00 0.00 H new ATOM 0 HB3 LEU A 140 14.779 0.200 9.898 1.00 0.00 H new ATOM 0 HG LEU A 140 13.056 -0.481 8.064 1.00 0.00 H new ATOM 0 HD11 LEU A 140 11.840 -2.561 8.550 1.00 0.00 H new ATOM 0 HD12 LEU A 140 13.521 -2.869 8.054 1.00 0.00 H new ATOM 0 HD13 LEU A 140 13.064 -2.987 9.770 1.00 0.00 H new ATOM 0 HD21 LEU A 140 11.242 -0.451 9.723 1.00 0.00 H new ATOM 0 HD22 LEU A 140 12.428 -0.739 11.018 1.00 0.00 H new ATOM 0 HD23 LEU A 140 12.490 0.768 10.073 1.00 0.00 H new ATOM 116 N PHE A 141 17.267 -2.449 7.352 1.00 0.00 N ATOM 117 CA PHE A 141 18.236 -3.531 7.366 1.00 0.00 C ATOM 118 C PHE A 141 19.399 -3.239 6.416 1.00 0.00 C ATOM 119 O PHE A 141 20.429 -3.910 6.465 1.00 0.00 O ATOM 120 CB PHE A 141 17.509 -4.790 6.891 1.00 0.00 C ATOM 121 CG PHE A 141 17.859 -6.049 7.686 1.00 0.00 C ATOM 122 CD1 PHE A 141 19.158 -6.424 7.828 1.00 0.00 C ATOM 123 CD2 PHE A 141 16.871 -6.794 8.251 1.00 0.00 C ATOM 124 CE1 PHE A 141 19.484 -7.593 8.565 1.00 0.00 C ATOM 125 CE2 PHE A 141 17.197 -7.963 8.988 1.00 0.00 C ATOM 126 CZ PHE A 141 18.497 -8.338 9.130 1.00 0.00 C ATOM 0 H PHE A 141 17.072 -2.064 6.428 1.00 0.00 H new ATOM 0 HA PHE A 141 18.644 -3.651 8.370 1.00 0.00 H new ATOM 0 HB2 PHE A 141 16.434 -4.621 6.953 1.00 0.00 H new ATOM 0 HB3 PHE A 141 17.745 -4.959 5.840 1.00 0.00 H new ATOM 0 HD1 PHE A 141 19.943 -5.832 7.380 1.00 0.00 H new ATOM 0 HD2 PHE A 141 15.839 -6.496 8.139 1.00 0.00 H new ATOM 0 HE1 PHE A 141 20.516 -7.890 8.677 1.00 0.00 H new ATOM 0 HE2 PHE A 141 16.413 -8.555 9.436 1.00 0.00 H new ATOM 0 HZ PHE A 141 18.745 -9.227 9.691 1.00 0.00 H new ATOM 136 N ASP A 142 19.197 -2.235 5.575 1.00 0.00 N ATOM 137 CA ASP A 142 20.215 -1.847 4.615 1.00 0.00 C ATOM 138 C ASP A 142 20.627 -3.068 3.791 1.00 0.00 C ATOM 139 O ASP A 142 20.459 -4.205 4.232 1.00 0.00 O ATOM 140 CB ASP A 142 21.462 -1.311 5.322 1.00 0.00 C ATOM 141 CG ASP A 142 22.776 -1.528 4.569 1.00 0.00 C ATOM 142 OD1 ASP A 142 22.884 -0.985 3.448 1.00 0.00 O ATOM 143 OD2 ASP A 142 23.642 -2.232 5.129 1.00 0.00 O ATOM 0 H ASP A 142 18.343 -1.679 5.539 1.00 0.00 H new ATOM 0 HA ASP A 142 19.797 -1.067 3.978 1.00 0.00 H new ATOM 0 HB2 ASP A 142 21.332 -0.243 5.495 1.00 0.00 H new ATOM 0 HB3 ASP A 142 21.539 -1.785 6.300 1.00 0.00 H new ATOM 148 N PHE A 143 21.158 -2.793 2.608 1.00 0.00 N ATOM 149 CA PHE A 143 21.595 -3.855 1.719 1.00 0.00 C ATOM 150 C PHE A 143 22.545 -3.318 0.647 1.00 0.00 C ATOM 151 O PHE A 143 23.647 -3.837 0.473 1.00 0.00 O ATOM 152 CB PHE A 143 20.343 -4.413 1.039 1.00 0.00 C ATOM 153 CG PHE A 143 20.591 -4.965 -0.366 1.00 0.00 C ATOM 154 CD1 PHE A 143 21.425 -6.025 -0.543 1.00 0.00 C ATOM 155 CD2 PHE A 143 19.977 -4.396 -1.439 1.00 0.00 C ATOM 156 CE1 PHE A 143 21.656 -6.538 -1.847 1.00 0.00 C ATOM 157 CE2 PHE A 143 20.208 -4.909 -2.742 1.00 0.00 C ATOM 158 CZ PHE A 143 21.042 -5.968 -2.919 1.00 0.00 C ATOM 0 H PHE A 143 21.295 -1.850 2.245 1.00 0.00 H new ATOM 0 HA PHE A 143 22.126 -4.619 2.287 1.00 0.00 H new ATOM 0 HB2 PHE A 143 19.927 -5.205 1.661 1.00 0.00 H new ATOM 0 HB3 PHE A 143 19.592 -3.625 0.981 1.00 0.00 H new ATOM 0 HD1 PHE A 143 21.912 -6.477 0.309 1.00 0.00 H new ATOM 0 HD2 PHE A 143 19.314 -3.555 -1.299 1.00 0.00 H new ATOM 0 HE1 PHE A 143 22.318 -7.380 -1.988 1.00 0.00 H new ATOM 0 HE2 PHE A 143 19.721 -4.458 -3.594 1.00 0.00 H new ATOM 0 HZ PHE A 143 21.217 -6.357 -3.911 1.00 0.00 H new ATOM 168 N ASN A 144 22.085 -2.283 -0.042 1.00 0.00 N ATOM 169 CA ASN A 144 22.881 -1.671 -1.091 1.00 0.00 C ATOM 170 C ASN A 144 23.295 -2.741 -2.103 1.00 0.00 C ATOM 171 O ASN A 144 24.409 -3.259 -2.041 1.00 0.00 O ATOM 172 CB ASN A 144 24.154 -1.040 -0.520 1.00 0.00 C ATOM 173 CG ASN A 144 24.111 0.485 -0.639 1.00 0.00 C ATOM 174 OD1 ASN A 144 23.177 1.141 -0.210 1.00 0.00 O ATOM 175 ND2 ASN A 144 25.173 1.010 -1.244 1.00 0.00 N ATOM 0 H ASN A 144 21.172 -1.854 0.106 1.00 0.00 H new ATOM 0 HA ASN A 144 22.277 -0.897 -1.564 1.00 0.00 H new ATOM 0 HB2 ASN A 144 24.267 -1.324 0.526 1.00 0.00 H new ATOM 0 HB3 ASN A 144 25.025 -1.425 -1.051 1.00 0.00 H new ATOM 0 HD21 ASN A 144 25.240 2.020 -1.372 1.00 0.00 H new ATOM 0 HD22 ASN A 144 25.921 0.403 -1.580 1.00 0.00 H new ATOM 182 N GLY A 145 22.378 -3.038 -3.010 1.00 0.00 N ATOM 183 CA GLY A 145 22.634 -4.038 -4.034 1.00 0.00 C ATOM 184 C GLY A 145 23.541 -3.477 -5.131 1.00 0.00 C ATOM 185 O GLY A 145 24.659 -3.954 -5.321 1.00 0.00 O ATOM 0 H GLY A 145 21.456 -2.604 -3.058 1.00 0.00 H new ATOM 0 HA2 GLY A 145 23.101 -4.914 -3.584 1.00 0.00 H new ATOM 0 HA3 GLY A 145 21.691 -4.368 -4.470 1.00 0.00 H new ATOM 189 N ASN A 146 23.027 -2.473 -5.826 1.00 0.00 N ATOM 190 CA ASN A 146 23.777 -1.843 -6.899 1.00 0.00 C ATOM 191 C ASN A 146 22.812 -1.077 -7.807 1.00 0.00 C ATOM 192 O ASN A 146 23.221 -0.160 -8.518 1.00 0.00 O ATOM 193 CB ASN A 146 24.501 -2.887 -7.752 1.00 0.00 C ATOM 194 CG ASN A 146 26.018 -2.769 -7.591 1.00 0.00 C ATOM 195 OD1 ASN A 146 26.525 -2.204 -6.636 1.00 0.00 O ATOM 196 ND2 ASN A 146 26.712 -3.331 -8.577 1.00 0.00 N ATOM 0 H ASN A 146 22.099 -2.080 -5.667 1.00 0.00 H new ATOM 0 HA ASN A 146 24.510 -1.173 -6.450 1.00 0.00 H new ATOM 0 HB2 ASN A 146 24.177 -3.887 -7.462 1.00 0.00 H new ATOM 0 HB3 ASN A 146 24.231 -2.756 -8.800 1.00 0.00 H new ATOM 0 HD21 ASN A 146 27.732 -3.305 -8.562 1.00 0.00 H new ATOM 0 HD22 ASN A 146 26.225 -3.788 -9.348 1.00 0.00 H new ATOM 203 N ASP A 147 21.553 -1.482 -7.755 1.00 0.00 N ATOM 204 CA ASP A 147 20.528 -0.845 -8.564 1.00 0.00 C ATOM 205 C ASP A 147 20.525 -1.470 -9.961 1.00 0.00 C ATOM 206 O ASP A 147 21.378 -2.298 -10.275 1.00 0.00 O ATOM 207 CB ASP A 147 20.798 0.652 -8.717 1.00 0.00 C ATOM 208 CG ASP A 147 21.411 1.065 -10.057 1.00 0.00 C ATOM 209 OD1 ASP A 147 20.664 1.022 -11.059 1.00 0.00 O ATOM 210 OD2 ASP A 147 22.610 1.415 -10.049 1.00 0.00 O ATOM 0 H ASP A 147 21.218 -2.244 -7.165 1.00 0.00 H new ATOM 0 HA ASP A 147 19.569 -0.989 -8.067 1.00 0.00 H new ATOM 0 HB2 ASP A 147 19.860 1.191 -8.582 1.00 0.00 H new ATOM 0 HB3 ASP A 147 21.466 0.969 -7.916 1.00 0.00 H new ATOM 215 N GLU A 148 19.556 -1.050 -10.761 1.00 0.00 N ATOM 216 CA GLU A 148 19.431 -1.558 -12.116 1.00 0.00 C ATOM 217 C GLU A 148 19.051 -3.041 -12.094 1.00 0.00 C ATOM 218 O GLU A 148 19.081 -3.708 -13.127 1.00 0.00 O ATOM 219 CB GLU A 148 20.722 -1.335 -12.906 1.00 0.00 C ATOM 220 CG GLU A 148 21.581 -2.601 -12.923 1.00 0.00 C ATOM 221 CD GLU A 148 21.504 -3.297 -14.283 1.00 0.00 C ATOM 222 OE1 GLU A 148 20.480 -3.091 -14.970 1.00 0.00 O ATOM 223 OE2 GLU A 148 22.472 -4.019 -14.607 1.00 0.00 O ATOM 0 H GLU A 148 18.850 -0.363 -10.496 1.00 0.00 H new ATOM 0 HA GLU A 148 18.636 -1.006 -12.618 1.00 0.00 H new ATOM 0 HB2 GLU A 148 20.481 -1.041 -13.928 1.00 0.00 H new ATOM 0 HB3 GLU A 148 21.286 -0.514 -12.463 1.00 0.00 H new ATOM 0 HG2 GLU A 148 22.617 -2.345 -12.699 1.00 0.00 H new ATOM 0 HG3 GLU A 148 21.245 -3.283 -12.142 1.00 0.00 H new ATOM 230 N GLU A 149 18.702 -3.511 -10.906 1.00 0.00 N ATOM 231 CA GLU A 149 18.315 -4.902 -10.736 1.00 0.00 C ATOM 232 C GLU A 149 18.042 -5.200 -9.261 1.00 0.00 C ATOM 233 O GLU A 149 17.209 -6.046 -8.939 1.00 0.00 O ATOM 234 CB GLU A 149 19.387 -5.841 -11.296 1.00 0.00 C ATOM 235 CG GLU A 149 18.758 -6.943 -12.150 1.00 0.00 C ATOM 236 CD GLU A 149 19.805 -7.979 -12.565 1.00 0.00 C ATOM 237 OE1 GLU A 149 20.058 -8.889 -11.747 1.00 0.00 O ATOM 238 OE2 GLU A 149 20.327 -7.838 -13.691 1.00 0.00 O ATOM 0 H GLU A 149 18.679 -2.954 -10.052 1.00 0.00 H new ATOM 0 HA GLU A 149 17.397 -5.075 -11.297 1.00 0.00 H new ATOM 0 HB2 GLU A 149 20.097 -5.272 -11.896 1.00 0.00 H new ATOM 0 HB3 GLU A 149 19.949 -6.288 -10.476 1.00 0.00 H new ATOM 0 HG2 GLU A 149 17.960 -7.431 -11.590 1.00 0.00 H new ATOM 0 HG3 GLU A 149 18.303 -6.505 -13.038 1.00 0.00 H new ATOM 245 N ASP A 150 18.760 -4.490 -8.403 1.00 0.00 N ATOM 246 CA ASP A 150 18.605 -4.669 -6.969 1.00 0.00 C ATOM 247 C ASP A 150 18.551 -3.298 -6.292 1.00 0.00 C ATOM 248 O ASP A 150 19.584 -2.666 -6.078 1.00 0.00 O ATOM 249 CB ASP A 150 19.786 -5.441 -6.379 1.00 0.00 C ATOM 250 CG ASP A 150 19.731 -6.957 -6.578 1.00 0.00 C ATOM 251 OD1 ASP A 150 18.602 -7.492 -6.555 1.00 0.00 O ATOM 252 OD2 ASP A 150 20.821 -7.547 -6.747 1.00 0.00 O ATOM 0 H ASP A 150 19.451 -3.790 -8.673 1.00 0.00 H new ATOM 0 HA ASP A 150 17.686 -5.229 -6.797 1.00 0.00 H new ATOM 0 HB2 ASP A 150 20.706 -5.064 -6.825 1.00 0.00 H new ATOM 0 HB3 ASP A 150 19.840 -5.232 -5.311 1.00 0.00 H new ATOM 257 N LEU A 151 17.335 -2.878 -5.974 1.00 0.00 N ATOM 258 CA LEU A 151 17.133 -1.593 -5.325 1.00 0.00 C ATOM 259 C LEU A 151 17.945 -1.548 -4.029 1.00 0.00 C ATOM 260 O LEU A 151 17.589 -2.197 -3.047 1.00 0.00 O ATOM 261 CB LEU A 151 15.641 -1.324 -5.125 1.00 0.00 C ATOM 262 CG LEU A 151 15.280 -0.341 -4.009 1.00 0.00 C ATOM 263 CD1 LEU A 151 16.368 0.721 -3.842 1.00 0.00 C ATOM 264 CD2 LEU A 151 13.904 0.281 -4.250 1.00 0.00 C ATOM 0 H LEU A 151 16.480 -3.404 -6.154 1.00 0.00 H new ATOM 0 HA LEU A 151 17.498 -0.784 -5.958 1.00 0.00 H new ATOM 0 HB2 LEU A 151 15.232 -0.946 -6.062 1.00 0.00 H new ATOM 0 HB3 LEU A 151 15.145 -2.273 -4.921 1.00 0.00 H new ATOM 0 HG LEU A 151 15.223 -0.894 -3.071 1.00 0.00 H new ATOM 0 HD11 LEU A 151 16.087 1.407 -3.043 1.00 0.00 H new ATOM 0 HD12 LEU A 151 17.312 0.238 -3.591 1.00 0.00 H new ATOM 0 HD13 LEU A 151 16.481 1.276 -4.773 1.00 0.00 H new ATOM 0 HD21 LEU A 151 13.672 0.975 -3.442 1.00 0.00 H new ATOM 0 HD22 LEU A 151 13.908 0.817 -5.199 1.00 0.00 H new ATOM 0 HD23 LEU A 151 13.150 -0.505 -4.280 1.00 0.00 H new ATOM 276 N PRO A 152 19.049 -0.755 -4.070 1.00 0.00 N ATOM 277 CA PRO A 152 19.914 -0.616 -2.911 1.00 0.00 C ATOM 278 C PRO A 152 19.269 0.276 -1.849 1.00 0.00 C ATOM 279 O PRO A 152 18.947 1.434 -2.117 1.00 0.00 O ATOM 280 CB PRO A 152 21.214 -0.046 -3.456 1.00 0.00 C ATOM 281 CG PRO A 152 20.872 0.545 -4.813 1.00 0.00 C ATOM 282 CD PRO A 152 19.501 0.028 -5.216 1.00 0.00 C ATOM 0 HA PRO A 152 20.092 -1.564 -2.403 1.00 0.00 H new ATOM 0 HB2 PRO A 152 21.617 0.716 -2.788 1.00 0.00 H new ATOM 0 HB3 PRO A 152 21.973 -0.823 -3.548 1.00 0.00 H new ATOM 0 HG2 PRO A 152 20.870 1.634 -4.765 1.00 0.00 H new ATOM 0 HG3 PRO A 152 21.620 0.260 -5.553 1.00 0.00 H new ATOM 0 HD2 PRO A 152 18.816 0.848 -5.430 1.00 0.00 H new ATOM 0 HD3 PRO A 152 19.557 -0.584 -6.116 1.00 0.00 H new ATOM 290 N PHE A 153 19.100 -0.293 -0.665 1.00 0.00 N ATOM 291 CA PHE A 153 18.499 0.436 0.438 1.00 0.00 C ATOM 292 C PHE A 153 19.416 0.430 1.663 1.00 0.00 C ATOM 293 O PHE A 153 20.335 -0.382 1.752 1.00 0.00 O ATOM 294 CB PHE A 153 17.194 -0.280 0.790 1.00 0.00 C ATOM 295 CG PHE A 153 17.368 -1.765 1.119 1.00 0.00 C ATOM 296 CD1 PHE A 153 17.797 -2.142 2.353 1.00 0.00 C ATOM 297 CD2 PHE A 153 17.094 -2.706 0.176 1.00 0.00 C ATOM 298 CE1 PHE A 153 17.958 -3.520 2.658 1.00 0.00 C ATOM 299 CE2 PHE A 153 17.255 -4.083 0.481 1.00 0.00 C ATOM 300 CZ PHE A 153 17.684 -4.461 1.716 1.00 0.00 C ATOM 0 H PHE A 153 19.369 -1.252 -0.445 1.00 0.00 H new ATOM 0 HA PHE A 153 18.329 1.473 0.149 1.00 0.00 H new ATOM 0 HB2 PHE A 153 16.736 0.220 1.644 1.00 0.00 H new ATOM 0 HB3 PHE A 153 16.501 -0.182 -0.046 1.00 0.00 H new ATOM 0 HD1 PHE A 153 18.015 -1.394 3.101 1.00 0.00 H new ATOM 0 HD2 PHE A 153 16.754 -2.406 -0.804 1.00 0.00 H new ATOM 0 HE1 PHE A 153 18.298 -3.820 3.638 1.00 0.00 H new ATOM 0 HE2 PHE A 153 17.037 -4.831 -0.267 1.00 0.00 H new ATOM 0 HZ PHE A 153 17.807 -5.509 1.948 1.00 0.00 H new ATOM 310 N LYS A 154 19.135 1.348 2.577 1.00 0.00 N ATOM 311 CA LYS A 154 19.923 1.459 3.793 1.00 0.00 C ATOM 312 C LYS A 154 19.096 0.962 4.980 1.00 0.00 C ATOM 313 O LYS A 154 17.976 0.485 4.803 1.00 0.00 O ATOM 314 CB LYS A 154 20.448 2.887 3.962 1.00 0.00 C ATOM 315 CG LYS A 154 21.952 2.889 4.238 1.00 0.00 C ATOM 316 CD LYS A 154 22.620 4.122 3.626 1.00 0.00 C ATOM 317 CE LYS A 154 23.685 4.691 4.564 1.00 0.00 C ATOM 318 NZ LYS A 154 24.992 4.039 4.320 1.00 0.00 N ATOM 0 H LYS A 154 18.373 2.021 2.500 1.00 0.00 H new ATOM 0 HA LYS A 154 20.807 0.824 3.734 1.00 0.00 H new ATOM 0 HB2 LYS A 154 20.239 3.464 3.061 1.00 0.00 H new ATOM 0 HB3 LYS A 154 19.923 3.376 4.783 1.00 0.00 H new ATOM 0 HG2 LYS A 154 22.128 2.872 5.314 1.00 0.00 H new ATOM 0 HG3 LYS A 154 22.402 1.985 3.827 1.00 0.00 H new ATOM 0 HD2 LYS A 154 23.075 3.857 2.672 1.00 0.00 H new ATOM 0 HD3 LYS A 154 21.867 4.883 3.420 1.00 0.00 H new ATOM 0 HE2 LYS A 154 23.775 5.767 4.412 1.00 0.00 H new ATOM 0 HE3 LYS A 154 23.384 4.539 5.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 25.704 4.437 4.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 24.906 3.016 4.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 25.285 4.206 3.336 1.00 0.00 H new ATOM 332 N LYS A 155 19.679 1.092 6.162 1.00 0.00 N ATOM 333 CA LYS A 155 19.008 0.663 7.378 1.00 0.00 C ATOM 334 C LYS A 155 18.087 1.781 7.870 1.00 0.00 C ATOM 335 O LYS A 155 18.342 2.387 8.910 1.00 0.00 O ATOM 336 CB LYS A 155 20.031 0.205 8.420 1.00 0.00 C ATOM 337 CG LYS A 155 19.336 -0.284 9.692 1.00 0.00 C ATOM 338 CD LYS A 155 19.280 0.823 10.746 1.00 0.00 C ATOM 339 CE LYS A 155 17.833 1.171 11.100 1.00 0.00 C ATOM 340 NZ LYS A 155 17.504 0.700 12.463 1.00 0.00 N ATOM 0 H LYS A 155 20.608 1.488 6.304 1.00 0.00 H new ATOM 0 HA LYS A 155 18.378 -0.204 7.180 1.00 0.00 H new ATOM 0 HB2 LYS A 155 20.644 -0.595 8.006 1.00 0.00 H new ATOM 0 HB3 LYS A 155 20.703 1.029 8.662 1.00 0.00 H new ATOM 0 HG2 LYS A 155 18.325 -0.616 9.454 1.00 0.00 H new ATOM 0 HG3 LYS A 155 19.868 -1.146 10.093 1.00 0.00 H new ATOM 0 HD2 LYS A 155 19.811 0.503 11.643 1.00 0.00 H new ATOM 0 HD3 LYS A 155 19.790 1.711 10.373 1.00 0.00 H new ATOM 0 HE2 LYS A 155 17.686 2.249 11.036 1.00 0.00 H new ATOM 0 HE3 LYS A 155 17.156 0.714 10.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 16.518 0.945 12.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 17.624 -0.332 12.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 18.138 1.156 13.150 1.00 0.00 H new ATOM 354 N GLY A 156 17.038 2.021 7.099 1.00 0.00 N ATOM 355 CA GLY A 156 16.077 3.056 7.444 1.00 0.00 C ATOM 356 C GLY A 156 15.857 4.013 6.271 1.00 0.00 C ATOM 357 O GLY A 156 15.613 5.202 6.472 1.00 0.00 O ATOM 0 H GLY A 156 16.831 1.517 6.236 1.00 0.00 H new ATOM 0 HA2 GLY A 156 15.129 2.598 7.727 1.00 0.00 H new ATOM 0 HA3 GLY A 156 16.433 3.613 8.311 1.00 0.00 H new ATOM 361 N ASP A 157 15.952 3.458 5.071 1.00 0.00 N ATOM 362 CA ASP A 157 15.766 4.248 3.865 1.00 0.00 C ATOM 363 C ASP A 157 14.272 4.367 3.564 1.00 0.00 C ATOM 364 O ASP A 157 13.467 3.587 4.073 1.00 0.00 O ATOM 365 CB ASP A 157 16.440 3.583 2.662 1.00 0.00 C ATOM 366 CG ASP A 157 16.095 4.201 1.306 1.00 0.00 C ATOM 367 OD1 ASP A 157 15.905 5.435 1.276 1.00 0.00 O ATOM 368 OD2 ASP A 157 16.030 3.423 0.329 1.00 0.00 O ATOM 0 H ASP A 157 16.155 2.472 4.908 1.00 0.00 H new ATOM 0 HA ASP A 157 16.212 5.229 4.032 1.00 0.00 H new ATOM 0 HB2 ASP A 157 17.520 3.626 2.800 1.00 0.00 H new ATOM 0 HB3 ASP A 157 16.162 2.529 2.645 1.00 0.00 H new ATOM 373 N ILE A 158 13.943 5.348 2.737 1.00 0.00 N ATOM 374 CA ILE A 158 12.559 5.580 2.361 1.00 0.00 C ATOM 375 C ILE A 158 12.421 5.466 0.842 1.00 0.00 C ATOM 376 O ILE A 158 13.175 6.091 0.099 1.00 0.00 O ATOM 377 CB ILE A 158 12.066 6.914 2.925 1.00 0.00 C ATOM 378 CG1 ILE A 158 10.578 7.116 2.635 1.00 0.00 C ATOM 379 CG2 ILE A 158 12.915 8.076 2.405 1.00 0.00 C ATOM 380 CD1 ILE A 158 9.728 6.088 3.384 1.00 0.00 C ATOM 0 H ILE A 158 14.612 5.992 2.316 1.00 0.00 H new ATOM 0 HA ILE A 158 11.914 4.818 2.798 1.00 0.00 H new ATOM 0 HB ILE A 158 12.182 6.890 4.009 1.00 0.00 H new ATOM 0 HG12 ILE A 158 10.280 8.123 2.929 1.00 0.00 H new ATOM 0 HG13 ILE A 158 10.398 7.030 1.563 1.00 0.00 H new ATOM 0 HG21 ILE A 158 12.544 9.013 2.821 1.00 0.00 H new ATOM 0 HG22 ILE A 158 13.953 7.932 2.706 1.00 0.00 H new ATOM 0 HG23 ILE A 158 12.854 8.113 1.317 1.00 0.00 H new ATOM 0 HD11 ILE A 158 8.674 6.254 3.160 1.00 0.00 H new ATOM 0 HD12 ILE A 158 10.011 5.083 3.070 1.00 0.00 H new ATOM 0 HD13 ILE A 158 9.892 6.193 4.457 1.00 0.00 H new ATOM 392 N LEU A 159 11.452 4.663 0.427 1.00 0.00 N ATOM 393 CA LEU A 159 11.206 4.459 -0.991 1.00 0.00 C ATOM 394 C LEU A 159 9.705 4.266 -1.220 1.00 0.00 C ATOM 395 O LEU A 159 8.944 4.107 -0.268 1.00 0.00 O ATOM 396 CB LEU A 159 12.063 3.309 -1.523 1.00 0.00 C ATOM 397 CG LEU A 159 13.491 3.229 -0.980 1.00 0.00 C ATOM 398 CD1 LEU A 159 13.531 2.467 0.346 1.00 0.00 C ATOM 399 CD2 LEU A 159 14.439 2.624 -2.017 1.00 0.00 C ATOM 0 H LEU A 159 10.828 4.146 1.047 1.00 0.00 H new ATOM 0 HA LEU A 159 11.506 5.338 -1.561 1.00 0.00 H new ATOM 0 HB2 LEU A 159 11.557 2.370 -1.297 1.00 0.00 H new ATOM 0 HB3 LEU A 159 12.113 3.391 -2.609 1.00 0.00 H new ATOM 0 HG LEU A 159 13.838 4.243 -0.780 1.00 0.00 H new ATOM 0 HD11 LEU A 159 14.557 2.424 0.710 1.00 0.00 H new ATOM 0 HD12 LEU A 159 12.907 2.979 1.079 1.00 0.00 H new ATOM 0 HD13 LEU A 159 13.157 1.454 0.195 1.00 0.00 H new ATOM 0 HD21 LEU A 159 15.447 2.579 -1.605 1.00 0.00 H new ATOM 0 HD22 LEU A 159 14.105 1.618 -2.272 1.00 0.00 H new ATOM 0 HD23 LEU A 159 14.441 3.244 -2.914 1.00 0.00 H new ATOM 411 N ARG A 160 9.327 4.285 -2.490 1.00 0.00 N ATOM 412 CA ARG A 160 7.931 4.114 -2.857 1.00 0.00 C ATOM 413 C ARG A 160 7.759 2.863 -3.720 1.00 0.00 C ATOM 414 O ARG A 160 8.665 2.486 -4.461 1.00 0.00 O ATOM 415 CB ARG A 160 7.411 5.331 -3.625 1.00 0.00 C ATOM 416 CG ARG A 160 7.226 6.530 -2.693 1.00 0.00 C ATOM 417 CD ARG A 160 7.930 7.769 -3.249 1.00 0.00 C ATOM 418 NE ARG A 160 8.349 8.653 -2.138 1.00 0.00 N ATOM 419 CZ ARG A 160 9.385 8.399 -1.325 1.00 0.00 C ATOM 420 NH1 ARG A 160 10.112 7.286 -1.494 1.00 0.00 N ATOM 421 NH2 ARG A 160 9.693 9.257 -0.343 1.00 0.00 N ATOM 0 H ARG A 160 9.962 4.416 -3.277 1.00 0.00 H new ATOM 0 HA ARG A 160 7.356 4.006 -1.937 1.00 0.00 H new ATOM 0 HB2 ARG A 160 8.110 5.589 -4.421 1.00 0.00 H new ATOM 0 HB3 ARG A 160 6.462 5.086 -4.101 1.00 0.00 H new ATOM 0 HG2 ARG A 160 6.163 6.737 -2.567 1.00 0.00 H new ATOM 0 HG3 ARG A 160 7.624 6.293 -1.706 1.00 0.00 H new ATOM 0 HD2 ARG A 160 8.799 7.471 -3.836 1.00 0.00 H new ATOM 0 HD3 ARG A 160 7.261 8.307 -3.921 1.00 0.00 H new ATOM 0 HE ARG A 160 7.817 9.509 -1.981 1.00 0.00 H new ATOM 0 HH11 ARG A 160 9.877 6.632 -2.241 1.00 0.00 H new ATOM 0 HH12 ARG A 160 10.900 7.093 -0.876 1.00 0.00 H new ATOM 0 HH21 ARG A 160 9.139 10.104 -0.213 1.00 0.00 H new ATOM 0 HH22 ARG A 160 10.481 9.063 0.275 1.00 0.00 H new ATOM 435 N ILE A 161 6.589 2.254 -3.594 1.00 0.00 N ATOM 436 CA ILE A 161 6.287 1.052 -4.354 1.00 0.00 C ATOM 437 C ILE A 161 5.601 1.441 -5.665 1.00 0.00 C ATOM 438 O ILE A 161 4.532 2.050 -5.654 1.00 0.00 O ATOM 439 CB ILE A 161 5.476 0.071 -3.504 1.00 0.00 C ATOM 440 CG1 ILE A 161 6.336 -1.117 -3.069 1.00 0.00 C ATOM 441 CG2 ILE A 161 4.212 -0.377 -4.239 1.00 0.00 C ATOM 442 CD1 ILE A 161 7.466 -0.664 -2.140 1.00 0.00 C ATOM 0 H ILE A 161 5.840 2.570 -2.978 1.00 0.00 H new ATOM 0 HA ILE A 161 7.205 0.527 -4.618 1.00 0.00 H new ATOM 0 HB ILE A 161 5.156 0.587 -2.599 1.00 0.00 H new ATOM 0 HG12 ILE A 161 5.715 -1.853 -2.560 1.00 0.00 H new ATOM 0 HG13 ILE A 161 6.756 -1.607 -3.947 1.00 0.00 H new ATOM 0 HG21 ILE A 161 3.654 -1.073 -3.613 1.00 0.00 H new ATOM 0 HG22 ILE A 161 3.591 0.492 -4.457 1.00 0.00 H new ATOM 0 HG23 ILE A 161 4.488 -0.869 -5.172 1.00 0.00 H new ATOM 0 HD11 ILE A 161 8.063 -1.527 -1.845 1.00 0.00 H new ATOM 0 HD12 ILE A 161 8.099 0.054 -2.661 1.00 0.00 H new ATOM 0 HD13 ILE A 161 7.041 -0.196 -1.252 1.00 0.00 H new ATOM 454 N ARG A 162 6.244 1.075 -6.765 1.00 0.00 N ATOM 455 CA ARG A 162 5.709 1.379 -8.081 1.00 0.00 C ATOM 456 C ARG A 162 5.046 0.139 -8.683 1.00 0.00 C ATOM 457 O ARG A 162 3.935 0.217 -9.206 1.00 0.00 O ATOM 458 CB ARG A 162 6.811 1.868 -9.022 1.00 0.00 C ATOM 459 CG ARG A 162 6.260 2.116 -10.429 1.00 0.00 C ATOM 460 CD ARG A 162 7.380 2.084 -11.470 1.00 0.00 C ATOM 461 NE ARG A 162 6.887 2.618 -12.760 1.00 0.00 N ATOM 462 CZ ARG A 162 7.537 2.487 -13.924 1.00 0.00 C ATOM 463 NH1 ARG A 162 8.709 1.838 -13.969 1.00 0.00 N ATOM 464 NH2 ARG A 162 7.015 3.003 -15.044 1.00 0.00 N ATOM 0 H ARG A 162 7.131 0.571 -6.771 1.00 0.00 H new ATOM 0 HA ARG A 162 4.968 2.170 -7.965 1.00 0.00 H new ATOM 0 HB2 ARG A 162 7.247 2.787 -8.631 1.00 0.00 H new ATOM 0 HB3 ARG A 162 7.611 1.129 -9.066 1.00 0.00 H new ATOM 0 HG2 ARG A 162 5.513 1.359 -10.670 1.00 0.00 H new ATOM 0 HG3 ARG A 162 5.756 3.082 -10.461 1.00 0.00 H new ATOM 0 HD2 ARG A 162 8.228 2.675 -11.123 1.00 0.00 H new ATOM 0 HD3 ARG A 162 7.736 1.062 -11.602 1.00 0.00 H new ATOM 0 HE ARG A 162 5.997 3.117 -12.763 1.00 0.00 H new ATOM 0 HH11 ARG A 162 9.107 1.443 -13.117 1.00 0.00 H new ATOM 0 HH12 ARG A 162 9.203 1.739 -14.856 1.00 0.00 H new ATOM 0 HH21 ARG A 162 6.123 3.496 -15.011 1.00 0.00 H new ATOM 0 HH22 ARG A 162 7.510 2.903 -15.930 1.00 0.00 H new ATOM 478 N ASP A 163 5.755 -0.977 -8.590 1.00 0.00 N ATOM 479 CA ASP A 163 5.249 -2.232 -9.120 1.00 0.00 C ATOM 480 C ASP A 163 5.796 -3.391 -8.283 1.00 0.00 C ATOM 481 O ASP A 163 6.598 -3.181 -7.375 1.00 0.00 O ATOM 482 CB ASP A 163 5.698 -2.440 -10.567 1.00 0.00 C ATOM 483 CG ASP A 163 7.096 -1.912 -10.893 1.00 0.00 C ATOM 484 OD1 ASP A 163 7.383 -0.768 -10.476 1.00 0.00 O ATOM 485 OD2 ASP A 163 7.848 -2.664 -11.550 1.00 0.00 O ATOM 0 H ASP A 163 6.676 -1.038 -8.155 1.00 0.00 H new ATOM 0 HA ASP A 163 4.160 -2.200 -9.082 1.00 0.00 H new ATOM 0 HB2 ASP A 163 5.667 -3.506 -10.791 1.00 0.00 H new ATOM 0 HB3 ASP A 163 4.980 -1.955 -11.228 1.00 0.00 H new ATOM 490 N LYS A 164 5.340 -4.588 -8.621 1.00 0.00 N ATOM 491 CA LYS A 164 5.774 -5.781 -7.913 1.00 0.00 C ATOM 492 C LYS A 164 5.334 -7.020 -8.694 1.00 0.00 C ATOM 493 O LYS A 164 4.158 -7.381 -8.680 1.00 0.00 O ATOM 494 CB LYS A 164 5.276 -5.755 -6.467 1.00 0.00 C ATOM 495 CG LYS A 164 3.755 -5.593 -6.412 1.00 0.00 C ATOM 496 CD LYS A 164 3.339 -4.709 -5.236 1.00 0.00 C ATOM 497 CE LYS A 164 1.854 -4.352 -5.315 1.00 0.00 C ATOM 498 NZ LYS A 164 1.123 -4.911 -4.156 1.00 0.00 N ATOM 0 H LYS A 164 4.675 -4.758 -9.375 1.00 0.00 H new ATOM 0 HA LYS A 164 6.862 -5.814 -7.850 1.00 0.00 H new ATOM 0 HB2 LYS A 164 5.565 -6.677 -5.963 1.00 0.00 H new ATOM 0 HB3 LYS A 164 5.752 -4.935 -5.930 1.00 0.00 H new ATOM 0 HG2 LYS A 164 3.399 -5.155 -7.344 1.00 0.00 H new ATOM 0 HG3 LYS A 164 3.285 -6.572 -6.320 1.00 0.00 H new ATOM 0 HD2 LYS A 164 3.543 -5.226 -4.298 1.00 0.00 H new ATOM 0 HD3 LYS A 164 3.936 -3.797 -5.233 1.00 0.00 H new ATOM 0 HE2 LYS A 164 1.735 -3.269 -5.339 1.00 0.00 H new ATOM 0 HE3 LYS A 164 1.430 -4.740 -6.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 0.116 -4.659 -4.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 1.221 -5.946 -4.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 1.517 -4.521 -3.276 1.00 0.00 H new ATOM 512 N PRO A 165 6.327 -7.655 -9.372 1.00 0.00 N ATOM 513 CA PRO A 165 6.054 -8.847 -10.157 1.00 0.00 C ATOM 514 C PRO A 165 5.848 -10.064 -9.253 1.00 0.00 C ATOM 515 O PRO A 165 4.906 -10.830 -9.444 1.00 0.00 O ATOM 516 CB PRO A 165 7.251 -8.990 -11.083 1.00 0.00 C ATOM 517 CG PRO A 165 8.358 -8.151 -10.467 1.00 0.00 C ATOM 518 CD PRO A 165 7.731 -7.256 -9.411 1.00 0.00 C ATOM 0 HA PRO A 165 5.130 -8.771 -10.731 1.00 0.00 H new ATOM 0 HB2 PRO A 165 7.554 -10.033 -11.170 1.00 0.00 H new ATOM 0 HB3 PRO A 165 7.011 -8.643 -12.088 1.00 0.00 H new ATOM 0 HG2 PRO A 165 9.119 -8.791 -10.022 1.00 0.00 H new ATOM 0 HG3 PRO A 165 8.853 -7.551 -11.231 1.00 0.00 H new ATOM 0 HD2 PRO A 165 8.209 -7.394 -8.441 1.00 0.00 H new ATOM 0 HD3 PRO A 165 7.836 -6.203 -9.671 1.00 0.00 H new ATOM 526 N GLU A 166 6.744 -10.202 -8.288 1.00 0.00 N ATOM 527 CA GLU A 166 6.674 -11.312 -7.353 1.00 0.00 C ATOM 528 C GLU A 166 5.910 -10.898 -6.094 1.00 0.00 C ATOM 529 O GLU A 166 5.380 -9.790 -6.022 1.00 0.00 O ATOM 530 CB GLU A 166 8.072 -11.825 -7.003 1.00 0.00 C ATOM 531 CG GLU A 166 8.947 -11.929 -8.253 1.00 0.00 C ATOM 532 CD GLU A 166 8.499 -13.093 -9.141 1.00 0.00 C ATOM 533 OE1 GLU A 166 8.010 -14.089 -8.565 1.00 0.00 O ATOM 534 OE2 GLU A 166 8.654 -12.958 -10.373 1.00 0.00 O ATOM 0 H GLU A 166 7.524 -9.563 -8.133 1.00 0.00 H new ATOM 0 HA GLU A 166 6.133 -12.129 -7.830 1.00 0.00 H new ATOM 0 HB2 GLU A 166 8.540 -11.154 -6.282 1.00 0.00 H new ATOM 0 HB3 GLU A 166 7.996 -12.802 -6.526 1.00 0.00 H new ATOM 0 HG2 GLU A 166 8.896 -10.997 -8.816 1.00 0.00 H new ATOM 0 HG3 GLU A 166 9.988 -12.069 -7.962 1.00 0.00 H new ATOM 541 N GLU A 167 5.878 -11.809 -5.133 1.00 0.00 N ATOM 542 CA GLU A 167 5.189 -11.552 -3.879 1.00 0.00 C ATOM 543 C GLU A 167 6.198 -11.404 -2.739 1.00 0.00 C ATOM 544 O GLU A 167 5.815 -11.325 -1.573 1.00 0.00 O ATOM 545 CB GLU A 167 4.176 -12.657 -3.575 1.00 0.00 C ATOM 546 CG GLU A 167 4.879 -13.994 -3.330 1.00 0.00 C ATOM 547 CD GLU A 167 4.234 -15.112 -4.151 1.00 0.00 C ATOM 548 OE1 GLU A 167 3.024 -15.346 -3.940 1.00 0.00 O ATOM 549 OE2 GLU A 167 4.965 -15.708 -4.972 1.00 0.00 O ATOM 0 H GLU A 167 6.318 -12.727 -5.197 1.00 0.00 H new ATOM 0 HA GLU A 167 4.639 -10.616 -3.974 1.00 0.00 H new ATOM 0 HB2 GLU A 167 3.588 -12.385 -2.698 1.00 0.00 H new ATOM 0 HB3 GLU A 167 3.479 -12.756 -4.408 1.00 0.00 H new ATOM 0 HG2 GLU A 167 5.933 -13.908 -3.592 1.00 0.00 H new ATOM 0 HG3 GLU A 167 4.833 -14.244 -2.270 1.00 0.00 H new ATOM 556 N GLN A 168 7.467 -11.368 -3.116 1.00 0.00 N ATOM 557 CA GLN A 168 8.535 -11.230 -2.139 1.00 0.00 C ATOM 558 C GLN A 168 9.323 -9.943 -2.392 1.00 0.00 C ATOM 559 O GLN A 168 9.622 -9.201 -1.459 1.00 0.00 O ATOM 560 CB GLN A 168 9.456 -12.451 -2.157 1.00 0.00 C ATOM 561 CG GLN A 168 8.781 -13.658 -1.504 1.00 0.00 C ATOM 562 CD GLN A 168 9.758 -14.407 -0.595 1.00 0.00 C ATOM 563 OE1 GLN A 168 10.558 -13.821 0.116 1.00 0.00 O ATOM 564 NE2 GLN A 168 9.648 -15.730 -0.657 1.00 0.00 N ATOM 0 H GLN A 168 7.781 -11.432 -4.084 1.00 0.00 H new ATOM 0 HA GLN A 168 8.088 -11.169 -1.147 1.00 0.00 H new ATOM 0 HB2 GLN A 168 9.725 -12.693 -3.185 1.00 0.00 H new ATOM 0 HB3 GLN A 168 10.382 -12.220 -1.631 1.00 0.00 H new ATOM 0 HG2 GLN A 168 7.919 -13.328 -0.924 1.00 0.00 H new ATOM 0 HG3 GLN A 168 8.407 -14.331 -2.275 1.00 0.00 H new ATOM 0 HE21 GLN A 168 8.956 -16.156 -1.274 1.00 0.00 H new ATOM 0 HE22 GLN A 168 10.255 -16.319 -0.088 1.00 0.00 H new ATOM 573 N TRP A 169 9.636 -9.719 -3.659 1.00 0.00 N ATOM 574 CA TRP A 169 10.383 -8.535 -4.048 1.00 0.00 C ATOM 575 C TRP A 169 9.396 -7.522 -4.630 1.00 0.00 C ATOM 576 O TRP A 169 8.541 -7.879 -5.440 1.00 0.00 O ATOM 577 CB TRP A 169 11.514 -8.893 -5.015 1.00 0.00 C ATOM 578 CG TRP A 169 12.756 -9.468 -4.334 1.00 0.00 C ATOM 579 CD1 TRP A 169 13.041 -10.753 -4.084 1.00 0.00 C ATOM 580 CD2 TRP A 169 13.880 -8.720 -3.821 1.00 0.00 C ATOM 581 NE1 TRP A 169 14.260 -10.889 -3.451 1.00 0.00 N ATOM 582 CE2 TRP A 169 14.786 -9.612 -3.286 1.00 0.00 C ATOM 583 CE3 TRP A 169 14.122 -7.335 -3.811 1.00 0.00 C ATOM 584 CZ2 TRP A 169 15.995 -9.219 -2.701 1.00 0.00 C ATOM 585 CZ3 TRP A 169 15.336 -6.958 -3.222 1.00 0.00 C ATOM 586 CH2 TRP A 169 16.258 -7.845 -2.679 1.00 0.00 C ATOM 0 H TRP A 169 9.386 -10.338 -4.430 1.00 0.00 H new ATOM 0 HA TRP A 169 10.871 -8.086 -3.183 1.00 0.00 H new ATOM 0 HB2 TRP A 169 11.142 -9.617 -5.741 1.00 0.00 H new ATOM 0 HB3 TRP A 169 11.798 -8.000 -5.572 1.00 0.00 H new ATOM 0 HD1 TRP A 169 12.397 -11.580 -4.345 1.00 0.00 H new ATOM 0 HE1 TRP A 169 14.695 -11.764 -3.158 1.00 0.00 H new ATOM 0 HE3 TRP A 169 13.427 -6.619 -4.224 1.00 0.00 H new ATOM 0 HZ2 TRP A 169 16.688 -9.938 -2.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 169 15.572 -5.905 -3.187 1.00 0.00 H new ATOM 0 HH2 TRP A 169 17.174 -7.475 -2.242 1.00 0.00 H new ATOM 597 N TRP A 170 9.547 -6.279 -4.196 1.00 0.00 N ATOM 598 CA TRP A 170 8.679 -5.213 -4.665 1.00 0.00 C ATOM 599 C TRP A 170 9.546 -4.181 -5.389 1.00 0.00 C ATOM 600 O TRP A 170 10.588 -3.772 -4.878 1.00 0.00 O ATOM 601 CB TRP A 170 7.875 -4.612 -3.510 1.00 0.00 C ATOM 602 CG TRP A 170 6.660 -5.446 -3.097 1.00 0.00 C ATOM 603 CD1 TRP A 170 6.248 -6.612 -3.612 1.00 0.00 C ATOM 604 CD2 TRP A 170 5.712 -5.128 -2.056 1.00 0.00 C ATOM 605 NE1 TRP A 170 5.107 -7.068 -2.982 1.00 0.00 N ATOM 606 CE2 TRP A 170 4.771 -6.137 -2.005 1.00 0.00 C ATOM 607 CE3 TRP A 170 5.652 -4.025 -1.187 1.00 0.00 C ATOM 608 CZ2 TRP A 170 3.702 -6.142 -1.102 1.00 0.00 C ATOM 609 CZ3 TRP A 170 4.577 -4.045 -0.290 1.00 0.00 C ATOM 610 CH2 TRP A 170 3.621 -5.053 -0.227 1.00 0.00 C ATOM 0 H TRP A 170 10.257 -5.987 -3.525 1.00 0.00 H new ATOM 0 HA TRP A 170 7.939 -5.599 -5.366 1.00 0.00 H new ATOM 0 HB2 TRP A 170 8.531 -4.493 -2.648 1.00 0.00 H new ATOM 0 HB3 TRP A 170 7.539 -3.615 -3.795 1.00 0.00 H new ATOM 0 HD1 TRP A 170 6.746 -7.130 -4.418 1.00 0.00 H new ATOM 0 HE1 TRP A 170 4.603 -7.929 -3.194 1.00 0.00 H new ATOM 0 HE3 TRP A 170 6.378 -3.225 -1.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 170 2.978 -6.943 -1.082 1.00 0.00 H new ATOM 0 HZ3 TRP A 170 4.484 -3.220 0.401 1.00 0.00 H new ATOM 0 HH2 TRP A 170 2.819 -4.996 0.494 1.00 0.00 H new ATOM 621 N ASN A 171 9.084 -3.789 -6.568 1.00 0.00 N ATOM 622 CA ASN A 171 9.805 -2.813 -7.367 1.00 0.00 C ATOM 623 C ASN A 171 9.439 -1.404 -6.896 1.00 0.00 C ATOM 624 O ASN A 171 8.433 -0.843 -7.328 1.00 0.00 O ATOM 625 CB ASN A 171 9.432 -2.929 -8.846 1.00 0.00 C ATOM 626 CG ASN A 171 10.613 -2.549 -9.741 1.00 0.00 C ATOM 627 OD1 ASN A 171 10.700 -1.451 -10.266 1.00 0.00 O ATOM 628 ND2 ASN A 171 11.515 -3.516 -9.886 1.00 0.00 N ATOM 0 H ASN A 171 8.220 -4.130 -6.989 1.00 0.00 H new ATOM 0 HA ASN A 171 10.872 -3.002 -7.248 1.00 0.00 H new ATOM 0 HB2 ASN A 171 9.118 -3.949 -9.066 1.00 0.00 H new ATOM 0 HB3 ASN A 171 8.583 -2.280 -9.063 1.00 0.00 H new ATOM 0 HD21 ASN A 171 12.340 -3.361 -10.465 1.00 0.00 H new ATOM 0 HD22 ASN A 171 11.381 -4.413 -9.418 1.00 0.00 H new ATOM 635 N ALA A 172 10.276 -0.874 -6.016 1.00 0.00 N ATOM 636 CA ALA A 172 10.053 0.459 -5.481 1.00 0.00 C ATOM 637 C ALA A 172 11.109 1.413 -6.043 1.00 0.00 C ATOM 638 O ALA A 172 12.137 0.973 -6.557 1.00 0.00 O ATOM 639 CB ALA A 172 10.069 0.406 -3.953 1.00 0.00 C ATOM 0 H ALA A 172 11.109 -1.343 -5.660 1.00 0.00 H new ATOM 0 HA ALA A 172 9.075 0.835 -5.783 1.00 0.00 H new ATOM 0 HB1 ALA A 172 9.902 1.406 -3.552 1.00 0.00 H new ATOM 0 HB2 ALA A 172 9.281 -0.261 -3.604 1.00 0.00 H new ATOM 0 HB3 ALA A 172 11.036 0.036 -3.612 1.00 0.00 H new ATOM 645 N GLU A 173 10.821 2.700 -5.926 1.00 0.00 N ATOM 646 CA GLU A 173 11.733 3.720 -6.416 1.00 0.00 C ATOM 647 C GLU A 173 12.381 4.460 -5.243 1.00 0.00 C ATOM 648 O GLU A 173 11.711 4.785 -4.263 1.00 0.00 O ATOM 649 CB GLU A 173 11.016 4.695 -7.351 1.00 0.00 C ATOM 650 CG GLU A 173 11.356 4.404 -8.813 1.00 0.00 C ATOM 651 CD GLU A 173 10.427 5.170 -9.756 1.00 0.00 C ATOM 652 OE1 GLU A 173 10.374 6.412 -9.617 1.00 0.00 O ATOM 653 OE2 GLU A 173 9.788 4.498 -10.593 1.00 0.00 O ATOM 0 H GLU A 173 9.968 3.061 -5.499 1.00 0.00 H new ATOM 0 HA GLU A 173 12.519 3.230 -6.991 1.00 0.00 H new ATOM 0 HB2 GLU A 173 9.939 4.621 -7.203 1.00 0.00 H new ATOM 0 HB3 GLU A 173 11.302 5.718 -7.104 1.00 0.00 H new ATOM 0 HG2 GLU A 173 12.391 4.682 -9.011 1.00 0.00 H new ATOM 0 HG3 GLU A 173 11.271 3.334 -9.004 1.00 0.00 H new ATOM 660 N ASP A 174 13.676 4.703 -5.381 1.00 0.00 N ATOM 661 CA ASP A 174 14.422 5.398 -4.346 1.00 0.00 C ATOM 662 C ASP A 174 14.170 6.903 -4.465 1.00 0.00 C ATOM 663 O ASP A 174 13.721 7.380 -5.506 1.00 0.00 O ATOM 664 CB ASP A 174 15.925 5.157 -4.494 1.00 0.00 C ATOM 665 CG ASP A 174 16.339 3.687 -4.581 1.00 0.00 C ATOM 666 OD1 ASP A 174 15.636 2.941 -5.298 1.00 0.00 O ATOM 667 OD2 ASP A 174 17.348 3.341 -3.930 1.00 0.00 O ATOM 0 H ASP A 174 14.228 4.431 -6.194 1.00 0.00 H new ATOM 0 HA ASP A 174 14.090 5.019 -3.379 1.00 0.00 H new ATOM 0 HB2 ASP A 174 16.273 5.671 -5.390 1.00 0.00 H new ATOM 0 HB3 ASP A 174 16.436 5.613 -3.646 1.00 0.00 H new ATOM 672 N SER A 175 14.471 7.609 -3.385 1.00 0.00 N ATOM 673 CA SER A 175 14.283 9.049 -3.356 1.00 0.00 C ATOM 674 C SER A 175 14.949 9.688 -4.576 1.00 0.00 C ATOM 675 O SER A 175 14.606 10.806 -4.961 1.00 0.00 O ATOM 676 CB SER A 175 14.846 9.652 -2.067 1.00 0.00 C ATOM 677 OG SER A 175 16.169 9.197 -1.799 1.00 0.00 O ATOM 0 H SER A 175 14.844 7.210 -2.523 1.00 0.00 H new ATOM 0 HA SER A 175 13.213 9.255 -3.384 1.00 0.00 H new ATOM 0 HB2 SER A 175 14.845 10.739 -2.145 1.00 0.00 H new ATOM 0 HB3 SER A 175 14.197 9.392 -1.231 1.00 0.00 H new ATOM 0 HG SER A 175 16.494 9.605 -0.969 1.00 0.00 H new ATOM 683 N GLU A 176 15.889 8.952 -5.151 1.00 0.00 N ATOM 684 CA GLU A 176 16.605 9.434 -6.320 1.00 0.00 C ATOM 685 C GLU A 176 15.751 9.258 -7.577 1.00 0.00 C ATOM 686 O GLU A 176 15.891 10.011 -8.538 1.00 0.00 O ATOM 687 CB GLU A 176 17.952 8.723 -6.468 1.00 0.00 C ATOM 688 CG GLU A 176 18.830 8.949 -5.236 1.00 0.00 C ATOM 689 CD GLU A 176 19.142 10.435 -5.050 1.00 0.00 C ATOM 690 OE1 GLU A 176 19.520 11.066 -6.061 1.00 0.00 O ATOM 691 OE2 GLU A 176 18.997 10.907 -3.902 1.00 0.00 O ATOM 0 H GLU A 176 16.171 8.026 -4.829 1.00 0.00 H new ATOM 0 HA GLU A 176 16.804 10.497 -6.187 1.00 0.00 H new ATOM 0 HB2 GLU A 176 17.789 7.655 -6.612 1.00 0.00 H new ATOM 0 HB3 GLU A 176 18.465 9.090 -7.357 1.00 0.00 H new ATOM 0 HG2 GLU A 176 18.324 8.566 -4.350 1.00 0.00 H new ATOM 0 HG3 GLU A 176 19.759 8.389 -5.340 1.00 0.00 H new ATOM 698 N GLY A 177 14.883 8.257 -7.528 1.00 0.00 N ATOM 699 CA GLY A 177 14.007 7.972 -8.651 1.00 0.00 C ATOM 700 C GLY A 177 14.492 6.747 -9.429 1.00 0.00 C ATOM 701 O GLY A 177 14.300 6.660 -10.640 1.00 0.00 O ATOM 0 H GLY A 177 14.768 7.634 -6.728 1.00 0.00 H new ATOM 0 HA2 GLY A 177 12.993 7.800 -8.291 1.00 0.00 H new ATOM 0 HA3 GLY A 177 13.968 8.836 -9.314 1.00 0.00 H new ATOM 705 N LYS A 178 15.112 5.830 -8.700 1.00 0.00 N ATOM 706 CA LYS A 178 15.627 4.614 -9.307 1.00 0.00 C ATOM 707 C LYS A 178 14.667 3.458 -9.015 1.00 0.00 C ATOM 708 O LYS A 178 14.397 3.148 -7.856 1.00 0.00 O ATOM 709 CB LYS A 178 17.062 4.352 -8.847 1.00 0.00 C ATOM 710 CG LYS A 178 17.210 4.595 -7.343 1.00 0.00 C ATOM 711 CD LYS A 178 18.343 3.750 -6.760 1.00 0.00 C ATOM 712 CE LYS A 178 19.658 4.009 -7.500 1.00 0.00 C ATOM 713 NZ LYS A 178 20.523 4.917 -6.717 1.00 0.00 N ATOM 0 H LYS A 178 15.269 5.905 -7.695 1.00 0.00 H new ATOM 0 HA LYS A 178 15.679 4.721 -10.391 1.00 0.00 H new ATOM 0 HB2 LYS A 178 17.341 3.325 -9.082 1.00 0.00 H new ATOM 0 HB3 LYS A 178 17.747 5.001 -9.393 1.00 0.00 H new ATOM 0 HG2 LYS A 178 17.408 5.651 -7.159 1.00 0.00 H new ATOM 0 HG3 LYS A 178 16.275 4.353 -6.838 1.00 0.00 H new ATOM 0 HD2 LYS A 178 18.466 3.980 -5.702 1.00 0.00 H new ATOM 0 HD3 LYS A 178 18.085 2.693 -6.828 1.00 0.00 H new ATOM 0 HE2 LYS A 178 20.175 3.066 -7.675 1.00 0.00 H new ATOM 0 HE3 LYS A 178 19.452 4.446 -8.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 178 21.411 5.082 -7.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 178 20.034 5.823 -6.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 178 20.734 4.486 -5.795 1.00 0.00 H new ATOM 727 N ARG A 179 14.178 2.853 -10.087 1.00 0.00 N ATOM 728 CA ARG A 179 13.254 1.739 -9.961 1.00 0.00 C ATOM 729 C ARG A 179 14.024 0.422 -9.838 1.00 0.00 C ATOM 730 O ARG A 179 14.724 0.020 -10.765 1.00 0.00 O ATOM 731 CB ARG A 179 12.316 1.662 -11.168 1.00 0.00 C ATOM 732 CG ARG A 179 12.167 3.031 -11.834 1.00 0.00 C ATOM 733 CD ARG A 179 10.909 3.083 -12.703 1.00 0.00 C ATOM 734 NE ARG A 179 10.752 4.435 -13.285 1.00 0.00 N ATOM 735 CZ ARG A 179 11.338 4.837 -14.421 1.00 0.00 C ATOM 736 NH1 ARG A 179 12.124 3.994 -15.104 1.00 0.00 N ATOM 737 NH2 ARG A 179 11.137 6.082 -14.873 1.00 0.00 N ATOM 0 H ARG A 179 14.404 3.113 -11.047 1.00 0.00 H new ATOM 0 HA ARG A 179 12.659 1.902 -9.062 1.00 0.00 H new ATOM 0 HB2 ARG A 179 12.704 0.943 -11.889 1.00 0.00 H new ATOM 0 HB3 ARG A 179 11.338 1.299 -10.851 1.00 0.00 H new ATOM 0 HG2 ARG A 179 12.119 3.808 -11.071 1.00 0.00 H new ATOM 0 HG3 ARG A 179 13.045 3.240 -12.446 1.00 0.00 H new ATOM 0 HD2 ARG A 179 10.976 2.341 -13.499 1.00 0.00 H new ATOM 0 HD3 ARG A 179 10.033 2.831 -12.105 1.00 0.00 H new ATOM 0 HE ARG A 179 10.161 5.103 -12.790 1.00 0.00 H new ATOM 0 HH11 ARG A 179 12.276 3.046 -14.759 1.00 0.00 H new ATOM 0 HH12 ARG A 179 12.570 4.300 -15.969 1.00 0.00 H new ATOM 0 HH21 ARG A 179 10.538 6.723 -14.352 1.00 0.00 H new ATOM 0 HH22 ARG A 179 11.583 6.389 -15.738 1.00 0.00 H new ATOM 751 N GLY A 180 13.868 -0.211 -8.685 1.00 0.00 N ATOM 752 CA GLY A 180 14.540 -1.474 -8.427 1.00 0.00 C ATOM 753 C GLY A 180 13.706 -2.360 -7.501 1.00 0.00 C ATOM 754 O GLY A 180 12.686 -1.923 -6.970 1.00 0.00 O ATOM 0 H GLY A 180 13.286 0.127 -7.918 1.00 0.00 H new ATOM 0 HA2 GLY A 180 14.719 -1.993 -9.368 1.00 0.00 H new ATOM 0 HA3 GLY A 180 15.514 -1.286 -7.976 1.00 0.00 H new ATOM 758 N MET A 181 14.171 -3.589 -7.333 1.00 0.00 N ATOM 759 CA MET A 181 13.481 -4.541 -6.479 1.00 0.00 C ATOM 760 C MET A 181 13.948 -4.414 -5.028 1.00 0.00 C ATOM 761 O MET A 181 15.145 -4.457 -4.751 1.00 0.00 O ATOM 762 CB MET A 181 13.747 -5.962 -6.979 1.00 0.00 C ATOM 763 CG MET A 181 15.227 -6.325 -6.837 1.00 0.00 C ATOM 764 SD MET A 181 15.537 -7.922 -7.572 1.00 0.00 S ATOM 765 CE MET A 181 13.903 -8.634 -7.468 1.00 0.00 C ATOM 0 H MET A 181 15.018 -3.948 -7.774 1.00 0.00 H new ATOM 0 HA MET A 181 12.413 -4.327 -6.517 1.00 0.00 H new ATOM 0 HB2 MET A 181 13.140 -6.670 -6.415 1.00 0.00 H new ATOM 0 HB3 MET A 181 13.447 -6.046 -8.023 1.00 0.00 H new ATOM 0 HG2 MET A 181 15.844 -5.567 -7.320 1.00 0.00 H new ATOM 0 HG3 MET A 181 15.507 -6.340 -5.784 1.00 0.00 H new ATOM 0 HE1 MET A 181 13.968 -9.714 -7.597 1.00 0.00 H new ATOM 0 HE2 MET A 181 13.470 -8.410 -6.493 1.00 0.00 H new ATOM 0 HE3 MET A 181 13.272 -8.213 -8.251 1.00 0.00 H new ATOM 775 N ILE A 182 12.977 -4.261 -4.139 1.00 0.00 N ATOM 776 CA ILE A 182 13.273 -4.127 -2.723 1.00 0.00 C ATOM 777 C ILE A 182 12.506 -5.196 -1.943 1.00 0.00 C ATOM 778 O ILE A 182 11.363 -5.512 -2.275 1.00 0.00 O ATOM 779 CB ILE A 182 12.992 -2.700 -2.249 1.00 0.00 C ATOM 780 CG1 ILE A 182 13.805 -2.369 -0.995 1.00 0.00 C ATOM 781 CG2 ILE A 182 11.493 -2.477 -2.036 1.00 0.00 C ATOM 782 CD1 ILE A 182 13.815 -0.862 -0.730 1.00 0.00 C ATOM 0 H ILE A 182 11.985 -4.227 -4.372 1.00 0.00 H new ATOM 0 HA ILE A 182 14.334 -4.296 -2.538 1.00 0.00 H new ATOM 0 HB ILE A 182 13.311 -2.011 -3.031 1.00 0.00 H new ATOM 0 HG12 ILE A 182 13.383 -2.890 -0.136 1.00 0.00 H new ATOM 0 HG13 ILE A 182 14.827 -2.728 -1.115 1.00 0.00 H new ATOM 0 HG21 ILE A 182 11.321 -1.455 -1.699 1.00 0.00 H new ATOM 0 HG22 ILE A 182 10.963 -2.644 -2.974 1.00 0.00 H new ATOM 0 HG23 ILE A 182 11.125 -3.174 -1.283 1.00 0.00 H new ATOM 0 HD11 ILE A 182 14.399 -0.654 0.166 1.00 0.00 H new ATOM 0 HD12 ILE A 182 14.260 -0.346 -1.581 1.00 0.00 H new ATOM 0 HD13 ILE A 182 12.793 -0.511 -0.586 1.00 0.00 H new ATOM 794 N PRO A 183 13.180 -5.738 -0.893 1.00 0.00 N ATOM 795 CA PRO A 183 12.574 -6.765 -0.063 1.00 0.00 C ATOM 796 C PRO A 183 11.527 -6.163 0.876 1.00 0.00 C ATOM 797 O PRO A 183 11.764 -5.126 1.494 1.00 0.00 O ATOM 798 CB PRO A 183 13.735 -7.409 0.677 1.00 0.00 C ATOM 799 CG PRO A 183 14.885 -6.420 0.588 1.00 0.00 C ATOM 800 CD PRO A 183 14.534 -5.388 -0.471 1.00 0.00 C ATOM 0 HA PRO A 183 12.029 -7.508 -0.644 1.00 0.00 H new ATOM 0 HB2 PRO A 183 13.473 -7.611 1.716 1.00 0.00 H new ATOM 0 HB3 PRO A 183 14.005 -8.364 0.225 1.00 0.00 H new ATOM 0 HG2 PRO A 183 15.048 -5.937 1.552 1.00 0.00 H new ATOM 0 HG3 PRO A 183 15.811 -6.934 0.328 1.00 0.00 H new ATOM 0 HD2 PRO A 183 14.574 -4.376 -0.067 1.00 0.00 H new ATOM 0 HD3 PRO A 183 15.232 -5.425 -1.307 1.00 0.00 H new ATOM 808 N VAL A 184 10.390 -6.839 0.954 1.00 0.00 N ATOM 809 CA VAL A 184 9.305 -6.384 1.807 1.00 0.00 C ATOM 810 C VAL A 184 9.627 -6.731 3.263 1.00 0.00 C ATOM 811 O VAL A 184 9.230 -6.012 4.178 1.00 0.00 O ATOM 812 CB VAL A 184 7.979 -6.979 1.330 1.00 0.00 C ATOM 813 CG1 VAL A 184 6.968 -7.053 2.476 1.00 0.00 C ATOM 814 CG2 VAL A 184 7.414 -6.184 0.151 1.00 0.00 C ATOM 0 H VAL A 184 10.197 -7.699 0.440 1.00 0.00 H new ATOM 0 HA VAL A 184 9.200 -5.301 1.746 1.00 0.00 H new ATOM 0 HB VAL A 184 8.172 -7.995 0.987 1.00 0.00 H new ATOM 0 HG11 VAL A 184 6.034 -7.480 2.110 1.00 0.00 H new ATOM 0 HG12 VAL A 184 7.366 -7.681 3.273 1.00 0.00 H new ATOM 0 HG13 VAL A 184 6.782 -6.051 2.863 1.00 0.00 H new ATOM 0 HG21 VAL A 184 6.471 -6.628 -0.169 1.00 0.00 H new ATOM 0 HG22 VAL A 184 7.244 -5.152 0.456 1.00 0.00 H new ATOM 0 HG23 VAL A 184 8.124 -6.205 -0.676 1.00 0.00 H new ATOM 824 N PRO A 185 10.363 -7.861 3.434 1.00 0.00 N ATOM 825 CA PRO A 185 10.742 -8.313 4.762 1.00 0.00 C ATOM 826 C PRO A 185 11.871 -7.450 5.333 1.00 0.00 C ATOM 827 O PRO A 185 11.937 -7.228 6.540 1.00 0.00 O ATOM 828 CB PRO A 185 11.140 -9.769 4.584 1.00 0.00 C ATOM 829 CG PRO A 185 11.413 -9.948 3.099 1.00 0.00 C ATOM 830 CD PRO A 185 10.851 -8.737 2.373 1.00 0.00 C ATOM 0 HA PRO A 185 9.931 -8.221 5.485 1.00 0.00 H new ATOM 0 HB2 PRO A 185 12.024 -10.007 5.175 1.00 0.00 H new ATOM 0 HB3 PRO A 185 10.344 -10.435 4.918 1.00 0.00 H new ATOM 0 HG2 PRO A 185 12.484 -10.040 2.916 1.00 0.00 H new ATOM 0 HG3 PRO A 185 10.947 -10.863 2.733 1.00 0.00 H new ATOM 0 HD2 PRO A 185 11.617 -8.244 1.774 1.00 0.00 H new ATOM 0 HD3 PRO A 185 10.048 -9.021 1.693 1.00 0.00 H new ATOM 838 N TYR A 186 12.729 -6.988 4.436 1.00 0.00 N ATOM 839 CA TYR A 186 13.852 -6.155 4.835 1.00 0.00 C ATOM 840 C TYR A 186 13.469 -4.674 4.816 1.00 0.00 C ATOM 841 O TYR A 186 14.338 -3.805 4.789 1.00 0.00 O ATOM 842 CB TYR A 186 14.948 -6.399 3.797 1.00 0.00 C ATOM 843 CG TYR A 186 16.160 -7.160 4.339 1.00 0.00 C ATOM 844 CD1 TYR A 186 16.000 -8.420 4.878 1.00 0.00 C ATOM 845 CD2 TYR A 186 17.415 -6.585 4.288 1.00 0.00 C ATOM 846 CE1 TYR A 186 17.141 -9.135 5.388 1.00 0.00 C ATOM 847 CE2 TYR A 186 18.555 -7.300 4.799 1.00 0.00 C ATOM 848 CZ TYR A 186 18.362 -8.540 5.324 1.00 0.00 C ATOM 849 OH TYR A 186 19.440 -9.215 5.805 1.00 0.00 O ATOM 0 H TYR A 186 12.670 -7.174 3.435 1.00 0.00 H new ATOM 0 HA TYR A 186 14.173 -6.402 5.847 1.00 0.00 H new ATOM 0 HB2 TYR A 186 14.525 -6.957 2.962 1.00 0.00 H new ATOM 0 HB3 TYR A 186 15.281 -5.439 3.403 1.00 0.00 H new ATOM 0 HD1 TYR A 186 15.019 -8.870 4.917 1.00 0.00 H new ATOM 0 HD2 TYR A 186 17.541 -5.599 3.865 1.00 0.00 H new ATOM 0 HE1 TYR A 186 17.030 -10.122 5.812 1.00 0.00 H new ATOM 0 HE2 TYR A 186 19.542 -6.862 4.766 1.00 0.00 H new ATOM 0 HH TYR A 186 19.665 -8.878 6.697 1.00 0.00 H new ATOM 859 N VAL A 187 12.166 -4.432 4.831 1.00 0.00 N ATOM 860 CA VAL A 187 11.657 -3.071 4.815 1.00 0.00 C ATOM 861 C VAL A 187 10.327 -3.020 5.570 1.00 0.00 C ATOM 862 O VAL A 187 9.830 -4.047 6.029 1.00 0.00 O ATOM 863 CB VAL A 187 11.547 -2.570 3.374 1.00 0.00 C ATOM 864 CG1 VAL A 187 12.874 -2.741 2.631 1.00 0.00 C ATOM 865 CG2 VAL A 187 10.409 -3.276 2.634 1.00 0.00 C ATOM 0 H VAL A 187 11.448 -5.156 4.854 1.00 0.00 H new ATOM 0 HA VAL A 187 12.347 -2.399 5.326 1.00 0.00 H new ATOM 0 HB VAL A 187 11.316 -1.505 3.406 1.00 0.00 H new ATOM 0 HG11 VAL A 187 12.768 -2.377 1.609 1.00 0.00 H new ATOM 0 HG12 VAL A 187 13.652 -2.172 3.140 1.00 0.00 H new ATOM 0 HG13 VAL A 187 13.148 -3.796 2.614 1.00 0.00 H new ATOM 0 HG21 VAL A 187 10.352 -2.902 1.612 1.00 0.00 H new ATOM 0 HG22 VAL A 187 10.597 -4.350 2.617 1.00 0.00 H new ATOM 0 HG23 VAL A 187 9.466 -3.080 3.145 1.00 0.00 H new ATOM 875 N GLU A 188 9.789 -1.813 5.674 1.00 0.00 N ATOM 876 CA GLU A 188 8.528 -1.615 6.366 1.00 0.00 C ATOM 877 C GLU A 188 7.645 -0.637 5.588 1.00 0.00 C ATOM 878 O GLU A 188 7.871 -0.399 4.403 1.00 0.00 O ATOM 879 CB GLU A 188 8.757 -1.128 7.798 1.00 0.00 C ATOM 880 CG GLU A 188 9.822 -1.970 8.501 1.00 0.00 C ATOM 881 CD GLU A 188 9.396 -2.316 9.928 1.00 0.00 C ATOM 882 OE1 GLU A 188 8.674 -3.326 10.076 1.00 0.00 O ATOM 883 OE2 GLU A 188 9.800 -1.562 10.839 1.00 0.00 O ATOM 0 H GLU A 188 10.204 -0.964 5.291 1.00 0.00 H new ATOM 0 HA GLU A 188 8.013 -2.574 6.423 1.00 0.00 H new ATOM 0 HB2 GLU A 188 9.065 -0.083 7.785 1.00 0.00 H new ATOM 0 HB3 GLU A 188 7.822 -1.178 8.356 1.00 0.00 H new ATOM 0 HG2 GLU A 188 9.996 -2.887 7.938 1.00 0.00 H new ATOM 0 HG3 GLU A 188 10.766 -1.425 8.522 1.00 0.00 H new ATOM 890 N LYS A 189 6.658 -0.096 6.287 1.00 0.00 N ATOM 891 CA LYS A 189 5.739 0.851 5.677 1.00 0.00 C ATOM 892 C LYS A 189 6.031 2.254 6.214 1.00 0.00 C ATOM 893 O LYS A 189 6.409 2.413 7.373 1.00 0.00 O ATOM 894 CB LYS A 189 4.292 0.403 5.882 1.00 0.00 C ATOM 895 CG LYS A 189 3.312 1.482 5.417 1.00 0.00 C ATOM 896 CD LYS A 189 3.056 1.378 3.912 1.00 0.00 C ATOM 897 CE LYS A 189 2.320 2.616 3.395 1.00 0.00 C ATOM 898 NZ LYS A 189 2.938 3.099 2.141 1.00 0.00 N ATOM 0 H LYS A 189 6.474 -0.295 7.270 1.00 0.00 H new ATOM 0 HA LYS A 189 5.887 0.884 4.598 1.00 0.00 H new ATOM 0 HB2 LYS A 189 4.112 -0.519 5.330 1.00 0.00 H new ATOM 0 HB3 LYS A 189 4.122 0.182 6.936 1.00 0.00 H new ATOM 0 HG2 LYS A 189 2.371 1.381 5.957 1.00 0.00 H new ATOM 0 HG3 LYS A 189 3.712 2.468 5.654 1.00 0.00 H new ATOM 0 HD2 LYS A 189 4.004 1.267 3.385 1.00 0.00 H new ATOM 0 HD3 LYS A 189 2.467 0.485 3.700 1.00 0.00 H new ATOM 0 HE2 LYS A 189 1.271 2.377 3.222 1.00 0.00 H new ATOM 0 HE3 LYS A 189 2.347 3.404 4.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 2.686 4.097 1.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 3.972 3.009 2.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 2.591 2.531 1.342 1.00 0.00 H new ATOM 912 N TYR A 190 5.843 3.237 5.345 1.00 0.00 N ATOM 913 CA TYR A 190 6.080 4.620 5.717 1.00 0.00 C ATOM 914 C TYR A 190 4.941 5.159 6.584 1.00 0.00 C ATOM 915 O TYR A 190 5.170 5.614 7.703 1.00 0.00 O ATOM 916 CB TYR A 190 6.122 5.408 4.405 1.00 0.00 C ATOM 917 CG TYR A 190 5.650 6.858 4.535 1.00 0.00 C ATOM 918 CD1 TYR A 190 4.314 7.166 4.371 1.00 0.00 C ATOM 919 CD2 TYR A 190 6.559 7.857 4.816 1.00 0.00 C ATOM 920 CE1 TYR A 190 3.871 8.531 4.492 1.00 0.00 C ATOM 921 CE2 TYR A 190 6.114 9.222 4.938 1.00 0.00 C ATOM 922 CZ TYR A 190 4.792 9.491 4.770 1.00 0.00 C ATOM 923 OH TYR A 190 4.372 10.779 4.885 1.00 0.00 O ATOM 0 H TYR A 190 5.529 3.102 4.384 1.00 0.00 H new ATOM 0 HA TYR A 190 7.003 4.710 6.290 1.00 0.00 H new ATOM 0 HB2 TYR A 190 7.142 5.402 4.022 1.00 0.00 H new ATOM 0 HB3 TYR A 190 5.501 4.899 3.667 1.00 0.00 H new ATOM 0 HD1 TYR A 190 3.602 6.384 4.152 1.00 0.00 H new ATOM 0 HD2 TYR A 190 7.604 7.616 4.945 1.00 0.00 H new ATOM 0 HE1 TYR A 190 2.829 8.786 4.365 1.00 0.00 H new ATOM 0 HE2 TYR A 190 6.815 10.014 5.158 1.00 0.00 H new ATOM 0 HH TYR A 190 5.138 11.356 5.086 1.00 0.00 H new ATOM 933 N GLY A 191 3.737 5.086 6.036 1.00 0.00 N ATOM 934 CA GLY A 191 2.561 5.561 6.745 1.00 0.00 C ATOM 935 C GLY A 191 2.528 5.018 8.176 1.00 0.00 C ATOM 936 O GLY A 191 1.479 4.600 8.661 1.00 0.00 O ATOM 0 H GLY A 191 3.550 4.705 5.109 1.00 0.00 H new ATOM 0 HA2 GLY A 191 2.560 6.651 6.765 1.00 0.00 H new ATOM 0 HA3 GLY A 191 1.661 5.251 6.213 1.00 0.00 H new TER 940 GLY A 191