USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=9 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 Set 1.1: A 171 ASN : amide:sc= -2.49! C(o=-8.8!,f=-9.5!) USER MOD Set 1.2: A 181 MET CE :methyl -175:sc= -6.32! (180deg=-3.02!) USER MOD Set 2.1: A 164 LYS NZ :NH3+ 177:sc= 0 (180deg=0) USER MOD Set 2.2: A 189 LYS NZ :NH3+ -158:sc= 0.501 (180deg=-1.94) USER MOD Set 3.1: A 144 ASN : amide:sc= -1.14 X(o=-1.1,f=-1.3) USER MOD Set 3.2: A 154 LYS NZ :NH3+ -130:sc= 0 (180deg=-0.0391) USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 146 ASN : amide:sc= -0.447 X(o=-0.45,f=-0.87) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 175 SER OG : rot 180:sc= 0 USER MOD Single : A 178 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0123) USER MOD Single : A 186 TYR OH : rot -83:sc= 0.156 USER MOD Single : A 190 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 134 1.662 1.235 -4.904 1.00 0.00 N ATOM 2 CA ALA A 134 1.657 2.685 -4.983 1.00 0.00 C ATOM 3 C ALA A 134 1.720 3.270 -3.571 1.00 0.00 C ATOM 4 O ALA A 134 0.686 3.523 -2.954 1.00 0.00 O ATOM 5 CB ALA A 134 0.418 3.151 -5.752 1.00 0.00 C ATOM 0 HA ALA A 134 2.532 3.042 -5.527 1.00 0.00 H new ATOM 0 HB1 ALA A 134 0.414 4.239 -5.811 1.00 0.00 H new ATOM 0 HB2 ALA A 134 0.436 2.733 -6.758 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -0.480 2.813 -5.235 1.00 0.00 H new ATOM 11 N GLU A 135 2.942 3.468 -3.100 1.00 0.00 N ATOM 12 CA GLU A 135 3.153 4.017 -1.772 1.00 0.00 C ATOM 13 C GLU A 135 4.650 4.169 -1.493 1.00 0.00 C ATOM 14 O GLU A 135 5.405 4.615 -2.356 1.00 0.00 O ATOM 15 CB GLU A 135 2.482 3.149 -0.706 1.00 0.00 C ATOM 16 CG GLU A 135 3.060 1.733 -0.708 1.00 0.00 C ATOM 17 CD GLU A 135 1.947 0.686 -0.633 1.00 0.00 C ATOM 18 OE1 GLU A 135 1.195 0.727 0.364 1.00 0.00 O ATOM 19 OE2 GLU A 135 1.874 -0.132 -1.575 1.00 0.00 O ATOM 0 H GLU A 135 3.797 3.258 -3.615 1.00 0.00 H new ATOM 0 HA GLU A 135 2.693 5.004 -1.731 1.00 0.00 H new ATOM 0 HB2 GLU A 135 2.621 3.601 0.276 1.00 0.00 H new ATOM 0 HB3 GLU A 135 1.408 3.108 -0.889 1.00 0.00 H new ATOM 0 HG2 GLU A 135 3.649 1.578 -1.612 1.00 0.00 H new ATOM 0 HG3 GLU A 135 3.736 1.611 0.138 1.00 0.00 H new ATOM 26 N TYR A 136 5.034 3.792 -0.283 1.00 0.00 N ATOM 27 CA TYR A 136 6.428 3.880 0.122 1.00 0.00 C ATOM 28 C TYR A 136 6.800 2.731 1.061 1.00 0.00 C ATOM 29 O TYR A 136 5.924 2.056 1.599 1.00 0.00 O ATOM 30 CB TYR A 136 6.564 5.204 0.876 1.00 0.00 C ATOM 31 CG TYR A 136 6.824 6.411 -0.027 1.00 0.00 C ATOM 32 CD1 TYR A 136 5.800 6.937 -0.788 1.00 0.00 C ATOM 33 CD2 TYR A 136 8.083 6.975 -0.079 1.00 0.00 C ATOM 34 CE1 TYR A 136 6.045 8.073 -1.638 1.00 0.00 C ATOM 35 CE2 TYR A 136 8.327 8.112 -0.929 1.00 0.00 C ATOM 36 CZ TYR A 136 7.297 8.604 -1.667 1.00 0.00 C ATOM 37 OH TYR A 136 7.528 9.677 -2.470 1.00 0.00 O ATOM 0 H TYR A 136 4.405 3.425 0.431 1.00 0.00 H new ATOM 0 HA TYR A 136 7.085 3.823 -0.746 1.00 0.00 H new ATOM 0 HB2 TYR A 136 5.652 5.380 1.447 1.00 0.00 H new ATOM 0 HB3 TYR A 136 7.379 5.119 1.595 1.00 0.00 H new ATOM 0 HD1 TYR A 136 4.815 6.497 -0.746 1.00 0.00 H new ATOM 0 HD2 TYR A 136 8.884 6.564 0.517 1.00 0.00 H new ATOM 0 HE1 TYR A 136 5.253 8.494 -2.239 1.00 0.00 H new ATOM 0 HE2 TYR A 136 9.307 8.564 -0.979 1.00 0.00 H new ATOM 0 HH TYR A 136 8.466 9.951 -2.389 1.00 0.00 H new ATOM 47 N VAL A 137 8.101 2.544 1.228 1.00 0.00 N ATOM 48 CA VAL A 137 8.601 1.489 2.092 1.00 0.00 C ATOM 49 C VAL A 137 9.904 1.947 2.750 1.00 0.00 C ATOM 50 O VAL A 137 10.668 2.707 2.157 1.00 0.00 O ATOM 51 CB VAL A 137 8.757 0.191 1.296 1.00 0.00 C ATOM 52 CG1 VAL A 137 7.392 -0.405 0.947 1.00 0.00 C ATOM 53 CG2 VAL A 137 9.595 0.418 0.037 1.00 0.00 C ATOM 0 H VAL A 137 8.824 3.106 0.779 1.00 0.00 H new ATOM 0 HA VAL A 137 7.890 1.282 2.891 1.00 0.00 H new ATOM 0 HB VAL A 137 9.285 -0.527 1.924 1.00 0.00 H new ATOM 0 HG11 VAL A 137 7.531 -1.326 0.382 1.00 0.00 H new ATOM 0 HG12 VAL A 137 6.844 -0.621 1.864 1.00 0.00 H new ATOM 0 HG13 VAL A 137 6.827 0.307 0.346 1.00 0.00 H new ATOM 0 HG21 VAL A 137 9.691 -0.520 -0.510 1.00 0.00 H new ATOM 0 HG22 VAL A 137 9.107 1.160 -0.596 1.00 0.00 H new ATOM 0 HG23 VAL A 137 10.585 0.776 0.319 1.00 0.00 H new ATOM 63 N ARG A 138 10.117 1.466 3.966 1.00 0.00 N ATOM 64 CA ARG A 138 11.314 1.817 4.710 1.00 0.00 C ATOM 65 C ARG A 138 12.153 0.567 4.987 1.00 0.00 C ATOM 66 O ARG A 138 11.688 -0.364 5.642 1.00 0.00 O ATOM 67 CB ARG A 138 10.960 2.489 6.038 1.00 0.00 C ATOM 68 CG ARG A 138 10.389 1.476 7.032 1.00 0.00 C ATOM 69 CD ARG A 138 9.376 2.136 7.967 1.00 0.00 C ATOM 70 NE ARG A 138 8.577 3.135 7.224 1.00 0.00 N ATOM 71 CZ ARG A 138 8.072 4.250 7.770 1.00 0.00 C ATOM 72 NH1 ARG A 138 8.281 4.515 9.068 1.00 0.00 N ATOM 73 NH2 ARG A 138 7.359 5.101 7.019 1.00 0.00 N ATOM 0 H ARG A 138 9.481 0.836 4.454 1.00 0.00 H new ATOM 0 HA ARG A 138 11.888 2.517 4.103 1.00 0.00 H new ATOM 0 HB2 ARG A 138 11.849 2.957 6.461 1.00 0.00 H new ATOM 0 HB3 ARG A 138 10.234 3.283 5.865 1.00 0.00 H new ATOM 0 HG2 ARG A 138 9.911 0.660 6.490 1.00 0.00 H new ATOM 0 HG3 ARG A 138 11.198 1.040 7.617 1.00 0.00 H new ATOM 0 HD2 ARG A 138 8.719 1.380 8.397 1.00 0.00 H new ATOM 0 HD3 ARG A 138 9.894 2.617 8.797 1.00 0.00 H new ATOM 0 HE ARG A 138 8.399 2.965 6.234 1.00 0.00 H new ATOM 0 HH11 ARG A 138 8.824 3.868 9.640 1.00 0.00 H new ATOM 0 HH12 ARG A 138 7.897 5.364 9.484 1.00 0.00 H new ATOM 0 HH21 ARG A 138 7.201 4.900 6.032 1.00 0.00 H new ATOM 0 HH22 ARG A 138 6.975 5.949 7.435 1.00 0.00 H new ATOM 87 N ALA A 139 13.375 0.589 4.475 1.00 0.00 N ATOM 88 CA ALA A 139 14.282 -0.532 4.659 1.00 0.00 C ATOM 89 C ALA A 139 15.081 -0.328 5.947 1.00 0.00 C ATOM 90 O ALA A 139 16.057 0.421 5.965 1.00 0.00 O ATOM 91 CB ALA A 139 15.182 -0.667 3.429 1.00 0.00 C ATOM 0 H ALA A 139 13.758 1.364 3.934 1.00 0.00 H new ATOM 0 HA ALA A 139 13.726 -1.464 4.760 1.00 0.00 H new ATOM 0 HB1 ALA A 139 15.862 -1.507 3.566 1.00 0.00 H new ATOM 0 HB2 ALA A 139 14.567 -0.839 2.545 1.00 0.00 H new ATOM 0 HB3 ALA A 139 15.758 0.249 3.298 1.00 0.00 H new ATOM 97 N LEU A 140 14.640 -1.009 6.995 1.00 0.00 N ATOM 98 CA LEU A 140 15.302 -0.913 8.284 1.00 0.00 C ATOM 99 C LEU A 140 16.241 -2.108 8.461 1.00 0.00 C ATOM 100 O LEU A 140 16.388 -2.627 9.567 1.00 0.00 O ATOM 101 CB LEU A 140 14.271 -0.768 9.407 1.00 0.00 C ATOM 102 CG LEU A 140 12.806 -0.903 8.991 1.00 0.00 C ATOM 103 CD1 LEU A 140 12.450 -2.362 8.699 1.00 0.00 C ATOM 104 CD2 LEU A 140 11.879 -0.287 10.042 1.00 0.00 C ATOM 0 H LEU A 140 13.831 -1.630 6.977 1.00 0.00 H new ATOM 0 HA LEU A 140 15.917 -0.015 8.330 1.00 0.00 H new ATOM 0 HB2 LEU A 140 14.483 -1.519 10.168 1.00 0.00 H new ATOM 0 HB3 LEU A 140 14.407 0.207 9.875 1.00 0.00 H new ATOM 0 HG LEU A 140 12.661 -0.345 8.066 1.00 0.00 H new ATOM 0 HD11 LEU A 140 11.402 -2.429 8.405 1.00 0.00 H new ATOM 0 HD12 LEU A 140 13.078 -2.735 7.890 1.00 0.00 H new ATOM 0 HD13 LEU A 140 12.615 -2.963 9.593 1.00 0.00 H new ATOM 0 HD21 LEU A 140 10.843 -0.396 9.722 1.00 0.00 H new ATOM 0 HD22 LEU A 140 12.020 -0.797 10.995 1.00 0.00 H new ATOM 0 HD23 LEU A 140 12.113 0.771 10.158 1.00 0.00 H new ATOM 116 N PHE A 141 16.852 -2.507 7.356 1.00 0.00 N ATOM 117 CA PHE A 141 17.773 -3.631 7.375 1.00 0.00 C ATOM 118 C PHE A 141 18.986 -3.362 6.483 1.00 0.00 C ATOM 119 O PHE A 141 19.973 -4.095 6.532 1.00 0.00 O ATOM 120 CB PHE A 141 17.012 -4.842 6.829 1.00 0.00 C ATOM 121 CG PHE A 141 17.269 -6.137 7.602 1.00 0.00 C ATOM 122 CD1 PHE A 141 18.540 -6.593 7.763 1.00 0.00 C ATOM 123 CD2 PHE A 141 16.225 -6.832 8.128 1.00 0.00 C ATOM 124 CE1 PHE A 141 18.778 -7.796 8.480 1.00 0.00 C ATOM 125 CE2 PHE A 141 16.463 -8.035 8.846 1.00 0.00 C ATOM 126 CZ PHE A 141 17.734 -8.491 9.006 1.00 0.00 C ATOM 0 H PHE A 141 16.728 -2.072 6.442 1.00 0.00 H new ATOM 0 HA PHE A 141 18.133 -3.800 8.390 1.00 0.00 H new ATOM 0 HB2 PHE A 141 15.944 -4.626 6.847 1.00 0.00 H new ATOM 0 HB3 PHE A 141 17.289 -4.992 5.786 1.00 0.00 H new ATOM 0 HD1 PHE A 141 19.369 -6.040 7.346 1.00 0.00 H new ATOM 0 HD2 PHE A 141 15.216 -6.470 8.000 1.00 0.00 H new ATOM 0 HE1 PHE A 141 19.787 -8.158 8.607 1.00 0.00 H new ATOM 0 HE2 PHE A 141 15.634 -8.587 9.265 1.00 0.00 H new ATOM 0 HZ PHE A 141 17.915 -9.406 9.551 1.00 0.00 H new ATOM 136 N ASP A 142 18.874 -2.307 5.688 1.00 0.00 N ATOM 137 CA ASP A 142 19.950 -1.930 4.787 1.00 0.00 C ATOM 138 C ASP A 142 20.351 -3.144 3.947 1.00 0.00 C ATOM 139 O ASP A 142 20.102 -4.284 4.336 1.00 0.00 O ATOM 140 CB ASP A 142 21.182 -1.463 5.564 1.00 0.00 C ATOM 141 CG ASP A 142 22.522 -1.756 4.887 1.00 0.00 C ATOM 142 OD1 ASP A 142 22.903 -2.945 4.871 1.00 0.00 O ATOM 143 OD2 ASP A 142 23.136 -0.781 4.399 1.00 0.00 O ATOM 0 H ASP A 142 18.054 -1.702 5.649 1.00 0.00 H new ATOM 0 HA ASP A 142 19.594 -1.115 4.156 1.00 0.00 H new ATOM 0 HB2 ASP A 142 21.103 -0.389 5.730 1.00 0.00 H new ATOM 0 HB3 ASP A 142 21.176 -1.938 6.545 1.00 0.00 H new ATOM 148 N PHE A 143 20.969 -2.858 2.810 1.00 0.00 N ATOM 149 CA PHE A 143 21.409 -3.912 1.911 1.00 0.00 C ATOM 150 C PHE A 143 22.528 -3.417 0.993 1.00 0.00 C ATOM 151 O PHE A 143 23.560 -4.073 0.857 1.00 0.00 O ATOM 152 CB PHE A 143 20.201 -4.305 1.057 1.00 0.00 C ATOM 153 CG PHE A 143 20.568 -4.997 -0.257 1.00 0.00 C ATOM 154 CD1 PHE A 143 20.948 -4.258 -1.332 1.00 0.00 C ATOM 155 CD2 PHE A 143 20.511 -6.353 -0.350 1.00 0.00 C ATOM 156 CE1 PHE A 143 21.288 -4.899 -2.552 1.00 0.00 C ATOM 157 CE2 PHE A 143 20.852 -6.995 -1.570 1.00 0.00 C ATOM 158 CZ PHE A 143 21.232 -6.256 -2.645 1.00 0.00 C ATOM 0 H PHE A 143 21.175 -1.912 2.491 1.00 0.00 H new ATOM 0 HA PHE A 143 21.793 -4.755 2.485 1.00 0.00 H new ATOM 0 HB2 PHE A 143 19.558 -4.967 1.637 1.00 0.00 H new ATOM 0 HB3 PHE A 143 19.619 -3.410 0.835 1.00 0.00 H new ATOM 0 HD1 PHE A 143 20.991 -3.181 -1.258 1.00 0.00 H new ATOM 0 HD2 PHE A 143 20.207 -6.941 0.503 1.00 0.00 H new ATOM 0 HE1 PHE A 143 21.591 -4.311 -3.406 1.00 0.00 H new ATOM 0 HE2 PHE A 143 20.809 -8.072 -1.643 1.00 0.00 H new ATOM 0 HZ PHE A 143 21.490 -6.745 -3.573 1.00 0.00 H new ATOM 168 N ASN A 144 22.287 -2.265 0.385 1.00 0.00 N ATOM 169 CA ASN A 144 23.261 -1.676 -0.516 1.00 0.00 C ATOM 170 C ASN A 144 24.174 -2.774 -1.064 1.00 0.00 C ATOM 171 O ASN A 144 25.208 -3.080 -0.471 1.00 0.00 O ATOM 172 CB ASN A 144 24.136 -0.653 0.212 1.00 0.00 C ATOM 173 CG ASN A 144 23.429 0.699 0.314 1.00 0.00 C ATOM 174 OD1 ASN A 144 23.166 1.368 -0.673 1.00 0.00 O ATOM 175 ND2 ASN A 144 23.139 1.065 1.559 1.00 0.00 N ATOM 0 H ASN A 144 21.430 -1.724 0.499 1.00 0.00 H new ATOM 0 HA ASN A 144 22.718 -1.180 -1.321 1.00 0.00 H new ATOM 0 HB2 ASN A 144 24.375 -1.019 1.211 1.00 0.00 H new ATOM 0 HB3 ASN A 144 25.081 -0.534 -0.318 1.00 0.00 H new ATOM 0 HD21 ASN A 144 22.668 1.953 1.733 1.00 0.00 H new ATOM 0 HD22 ASN A 144 23.387 0.458 2.340 1.00 0.00 H new ATOM 182 N GLY A 145 23.758 -3.340 -2.188 1.00 0.00 N ATOM 183 CA GLY A 145 24.525 -4.398 -2.822 1.00 0.00 C ATOM 184 C GLY A 145 25.286 -3.871 -4.039 1.00 0.00 C ATOM 185 O GLY A 145 26.469 -4.161 -4.211 1.00 0.00 O ATOM 0 H GLY A 145 22.899 -3.085 -2.676 1.00 0.00 H new ATOM 0 HA2 GLY A 145 25.228 -4.822 -2.105 1.00 0.00 H new ATOM 0 HA3 GLY A 145 23.857 -5.203 -3.127 1.00 0.00 H new ATOM 189 N ASN A 146 24.576 -3.104 -4.854 1.00 0.00 N ATOM 190 CA ASN A 146 25.170 -2.533 -6.051 1.00 0.00 C ATOM 191 C ASN A 146 24.059 -2.133 -7.025 1.00 0.00 C ATOM 192 O ASN A 146 24.255 -1.263 -7.872 1.00 0.00 O ATOM 193 CB ASN A 146 26.074 -3.547 -6.755 1.00 0.00 C ATOM 194 CG ASN A 146 27.539 -3.111 -6.692 1.00 0.00 C ATOM 195 OD1 ASN A 146 28.011 -2.569 -5.706 1.00 0.00 O ATOM 196 ND2 ASN A 146 28.230 -3.375 -7.797 1.00 0.00 N ATOM 0 H ASN A 146 23.595 -2.865 -4.709 1.00 0.00 H new ATOM 0 HA ASN A 146 25.762 -1.668 -5.754 1.00 0.00 H new ATOM 0 HB2 ASN A 146 25.962 -4.526 -6.288 1.00 0.00 H new ATOM 0 HB3 ASN A 146 25.767 -3.653 -7.795 1.00 0.00 H new ATOM 0 HD21 ASN A 146 29.216 -3.121 -7.855 1.00 0.00 H new ATOM 0 HD22 ASN A 146 27.774 -3.831 -8.587 1.00 0.00 H new ATOM 203 N ASP A 147 22.918 -2.789 -6.872 1.00 0.00 N ATOM 204 CA ASP A 147 21.776 -2.513 -7.727 1.00 0.00 C ATOM 205 C ASP A 147 21.963 -3.229 -9.067 1.00 0.00 C ATOM 206 O ASP A 147 21.551 -2.722 -10.109 1.00 0.00 O ATOM 207 CB ASP A 147 21.646 -1.014 -8.007 1.00 0.00 C ATOM 208 CG ASP A 147 22.005 -0.589 -9.432 1.00 0.00 C ATOM 209 OD1 ASP A 147 23.220 -0.475 -9.702 1.00 0.00 O ATOM 210 OD2 ASP A 147 21.056 -0.389 -10.220 1.00 0.00 O ATOM 0 H ASP A 147 22.760 -3.511 -6.169 1.00 0.00 H new ATOM 0 HA ASP A 147 20.880 -2.863 -7.215 1.00 0.00 H new ATOM 0 HB2 ASP A 147 20.620 -0.709 -7.800 1.00 0.00 H new ATOM 0 HB3 ASP A 147 22.286 -0.473 -7.310 1.00 0.00 H new ATOM 215 N GLU A 148 22.584 -4.398 -8.995 1.00 0.00 N ATOM 216 CA GLU A 148 22.830 -5.189 -10.189 1.00 0.00 C ATOM 217 C GLU A 148 21.573 -5.968 -10.578 1.00 0.00 C ATOM 218 O GLU A 148 21.635 -6.887 -11.393 1.00 0.00 O ATOM 219 CB GLU A 148 24.019 -6.131 -9.986 1.00 0.00 C ATOM 220 CG GLU A 148 25.283 -5.567 -10.636 1.00 0.00 C ATOM 221 CD GLU A 148 25.520 -6.195 -12.011 1.00 0.00 C ATOM 222 OE1 GLU A 148 24.509 -6.528 -12.665 1.00 0.00 O ATOM 223 OE2 GLU A 148 26.708 -6.327 -12.377 1.00 0.00 O ATOM 0 H GLU A 148 22.924 -4.816 -8.129 1.00 0.00 H new ATOM 0 HA GLU A 148 23.080 -4.512 -11.005 1.00 0.00 H new ATOM 0 HB2 GLU A 148 24.190 -6.282 -8.920 1.00 0.00 H new ATOM 0 HB3 GLU A 148 23.791 -7.107 -10.413 1.00 0.00 H new ATOM 0 HG2 GLU A 148 25.193 -4.485 -10.737 1.00 0.00 H new ATOM 0 HG3 GLU A 148 26.142 -5.756 -9.993 1.00 0.00 H new ATOM 230 N GLU A 149 20.460 -5.573 -9.976 1.00 0.00 N ATOM 231 CA GLU A 149 19.190 -6.222 -10.250 1.00 0.00 C ATOM 232 C GLU A 149 18.140 -5.786 -9.226 1.00 0.00 C ATOM 233 O GLU A 149 16.945 -5.787 -9.519 1.00 0.00 O ATOM 234 CB GLU A 149 19.345 -7.745 -10.262 1.00 0.00 C ATOM 235 CG GLU A 149 17.994 -8.434 -10.060 1.00 0.00 C ATOM 236 CD GLU A 149 18.027 -9.871 -10.586 1.00 0.00 C ATOM 237 OE1 GLU A 149 18.503 -10.743 -9.826 1.00 0.00 O ATOM 238 OE2 GLU A 149 17.576 -10.065 -11.736 1.00 0.00 O ATOM 0 H GLU A 149 20.412 -4.811 -9.299 1.00 0.00 H new ATOM 0 HA GLU A 149 18.853 -5.916 -11.240 1.00 0.00 H new ATOM 0 HB2 GLU A 149 19.781 -8.062 -11.209 1.00 0.00 H new ATOM 0 HB3 GLU A 149 20.035 -8.050 -9.475 1.00 0.00 H new ATOM 0 HG2 GLU A 149 17.738 -8.437 -9.001 1.00 0.00 H new ATOM 0 HG3 GLU A 149 17.215 -7.872 -10.575 1.00 0.00 H new ATOM 245 N ASP A 150 18.623 -5.425 -8.048 1.00 0.00 N ATOM 246 CA ASP A 150 17.741 -4.987 -6.979 1.00 0.00 C ATOM 247 C ASP A 150 18.015 -3.515 -6.667 1.00 0.00 C ATOM 248 O ASP A 150 18.837 -2.880 -7.327 1.00 0.00 O ATOM 249 CB ASP A 150 17.981 -5.794 -5.700 1.00 0.00 C ATOM 250 CG ASP A 150 19.440 -6.174 -5.441 1.00 0.00 C ATOM 251 OD1 ASP A 150 20.246 -5.236 -5.256 1.00 0.00 O ATOM 252 OD2 ASP A 150 19.716 -7.392 -5.432 1.00 0.00 O ATOM 0 H ASP A 150 19.615 -5.426 -7.809 1.00 0.00 H new ATOM 0 HA ASP A 150 16.713 -5.133 -7.310 1.00 0.00 H new ATOM 0 HB2 ASP A 150 17.615 -5.218 -4.850 1.00 0.00 H new ATOM 0 HB3 ASP A 150 17.386 -6.706 -5.747 1.00 0.00 H new ATOM 257 N LEU A 151 17.312 -3.014 -5.661 1.00 0.00 N ATOM 258 CA LEU A 151 17.470 -1.629 -5.254 1.00 0.00 C ATOM 259 C LEU A 151 18.205 -1.577 -3.913 1.00 0.00 C ATOM 260 O LEU A 151 17.714 -2.095 -2.911 1.00 0.00 O ATOM 261 CB LEU A 151 16.115 -0.917 -5.242 1.00 0.00 C ATOM 262 CG LEU A 151 15.998 0.284 -4.300 1.00 0.00 C ATOM 263 CD1 LEU A 151 17.213 1.204 -4.430 1.00 0.00 C ATOM 264 CD2 LEU A 151 14.684 1.033 -4.530 1.00 0.00 C ATOM 0 H LEU A 151 16.632 -3.543 -5.116 1.00 0.00 H new ATOM 0 HA LEU A 151 18.083 -1.087 -5.974 1.00 0.00 H new ATOM 0 HB2 LEU A 151 15.894 -0.582 -6.255 1.00 0.00 H new ATOM 0 HB3 LEU A 151 15.348 -1.642 -4.971 1.00 0.00 H new ATOM 0 HG LEU A 151 15.984 -0.085 -3.275 1.00 0.00 H new ATOM 0 HD11 LEU A 151 17.104 2.049 -3.750 1.00 0.00 H new ATOM 0 HD12 LEU A 151 18.117 0.650 -4.179 1.00 0.00 H new ATOM 0 HD13 LEU A 151 17.285 1.570 -5.454 1.00 0.00 H new ATOM 0 HD21 LEU A 151 14.625 1.882 -3.849 1.00 0.00 H new ATOM 0 HD22 LEU A 151 14.644 1.390 -5.559 1.00 0.00 H new ATOM 0 HD23 LEU A 151 13.845 0.361 -4.346 1.00 0.00 H new ATOM 276 N PRO A 152 19.400 -0.929 -3.938 1.00 0.00 N ATOM 277 CA PRO A 152 20.208 -0.802 -2.737 1.00 0.00 C ATOM 278 C PRO A 152 19.621 0.247 -1.790 1.00 0.00 C ATOM 279 O PRO A 152 19.435 1.401 -2.174 1.00 0.00 O ATOM 280 CB PRO A 152 21.599 -0.441 -3.234 1.00 0.00 C ATOM 281 CG PRO A 152 21.414 0.075 -4.651 1.00 0.00 C ATOM 282 CD PRO A 152 20.013 -0.303 -5.106 1.00 0.00 C ATOM 0 HA PRO A 152 20.235 -1.720 -2.150 1.00 0.00 H new ATOM 0 HB2 PRO A 152 22.056 0.318 -2.599 1.00 0.00 H new ATOM 0 HB3 PRO A 152 22.257 -1.310 -3.217 1.00 0.00 H new ATOM 0 HG2 PRO A 152 21.547 1.156 -4.684 1.00 0.00 H new ATOM 0 HG3 PRO A 152 22.161 -0.359 -5.316 1.00 0.00 H new ATOM 0 HD2 PRO A 152 19.451 0.574 -5.426 1.00 0.00 H new ATOM 0 HD3 PRO A 152 20.043 -0.989 -5.953 1.00 0.00 H new ATOM 290 N PHE A 153 19.345 -0.192 -0.571 1.00 0.00 N ATOM 291 CA PHE A 153 18.783 0.695 0.435 1.00 0.00 C ATOM 292 C PHE A 153 19.640 0.701 1.701 1.00 0.00 C ATOM 293 O PHE A 153 20.664 0.022 1.766 1.00 0.00 O ATOM 294 CB PHE A 153 17.392 0.157 0.776 1.00 0.00 C ATOM 295 CG PHE A 153 17.355 -1.348 1.046 1.00 0.00 C ATOM 296 CD1 PHE A 153 17.650 -1.826 2.284 1.00 0.00 C ATOM 297 CD2 PHE A 153 17.027 -2.210 0.045 1.00 0.00 C ATOM 298 CE1 PHE A 153 17.616 -3.223 2.534 1.00 0.00 C ATOM 299 CE2 PHE A 153 16.994 -3.607 0.295 1.00 0.00 C ATOM 300 CZ PHE A 153 17.289 -4.085 1.533 1.00 0.00 C ATOM 0 H PHE A 153 19.500 -1.150 -0.257 1.00 0.00 H new ATOM 0 HA PHE A 153 18.743 1.715 0.052 1.00 0.00 H new ATOM 0 HB2 PHE A 153 17.016 0.682 1.654 1.00 0.00 H new ATOM 0 HB3 PHE A 153 16.714 0.385 -0.047 1.00 0.00 H new ATOM 0 HD1 PHE A 153 17.911 -1.142 3.078 1.00 0.00 H new ATOM 0 HD2 PHE A 153 16.792 -1.831 -0.939 1.00 0.00 H new ATOM 0 HE1 PHE A 153 17.850 -3.602 3.518 1.00 0.00 H new ATOM 0 HE2 PHE A 153 16.734 -4.291 -0.499 1.00 0.00 H new ATOM 0 HZ PHE A 153 17.264 -5.148 1.722 1.00 0.00 H new ATOM 310 N LYS A 154 19.190 1.474 2.678 1.00 0.00 N ATOM 311 CA LYS A 154 19.903 1.578 3.940 1.00 0.00 C ATOM 312 C LYS A 154 19.041 0.988 5.058 1.00 0.00 C ATOM 313 O LYS A 154 17.957 0.467 4.801 1.00 0.00 O ATOM 314 CB LYS A 154 20.336 3.023 4.194 1.00 0.00 C ATOM 315 CG LYS A 154 21.855 3.123 4.341 1.00 0.00 C ATOM 316 CD LYS A 154 22.328 4.568 4.173 1.00 0.00 C ATOM 317 CE LYS A 154 22.831 4.819 2.751 1.00 0.00 C ATOM 318 NZ LYS A 154 24.171 4.219 2.561 1.00 0.00 N ATOM 0 H LYS A 154 18.340 2.035 2.621 1.00 0.00 H new ATOM 0 HA LYS A 154 20.824 0.996 3.906 1.00 0.00 H new ATOM 0 HB2 LYS A 154 20.004 3.656 3.371 1.00 0.00 H new ATOM 0 HB3 LYS A 154 19.854 3.397 5.097 1.00 0.00 H new ATOM 0 HG2 LYS A 154 22.154 2.750 5.320 1.00 0.00 H new ATOM 0 HG3 LYS A 154 22.338 2.490 3.597 1.00 0.00 H new ATOM 0 HD2 LYS A 154 21.509 5.251 4.398 1.00 0.00 H new ATOM 0 HD3 LYS A 154 23.124 4.779 4.887 1.00 0.00 H new ATOM 0 HE2 LYS A 154 22.131 4.395 2.031 1.00 0.00 H new ATOM 0 HE3 LYS A 154 22.876 5.891 2.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 24.812 4.926 2.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 24.545 3.908 3.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 24.098 3.402 1.922 1.00 0.00 H new ATOM 332 N LYS A 155 19.555 1.090 6.275 1.00 0.00 N ATOM 333 CA LYS A 155 18.845 0.574 7.433 1.00 0.00 C ATOM 334 C LYS A 155 17.792 1.591 7.876 1.00 0.00 C ATOM 335 O LYS A 155 17.892 2.162 8.960 1.00 0.00 O ATOM 336 CB LYS A 155 19.831 0.189 8.538 1.00 0.00 C ATOM 337 CG LYS A 155 19.244 -0.896 9.443 1.00 0.00 C ATOM 338 CD LYS A 155 18.860 -0.322 10.808 1.00 0.00 C ATOM 339 CE LYS A 155 17.381 0.062 10.845 1.00 0.00 C ATOM 340 NZ LYS A 155 16.739 -0.461 12.072 1.00 0.00 N ATOM 0 H LYS A 155 20.455 1.522 6.484 1.00 0.00 H new ATOM 0 HA LYS A 155 18.315 -0.343 7.177 1.00 0.00 H new ATOM 0 HB2 LYS A 155 20.760 -0.167 8.093 1.00 0.00 H new ATOM 0 HB3 LYS A 155 20.078 1.069 9.132 1.00 0.00 H new ATOM 0 HG2 LYS A 155 18.366 -1.334 8.969 1.00 0.00 H new ATOM 0 HG3 LYS A 155 19.970 -1.698 9.573 1.00 0.00 H new ATOM 0 HD2 LYS A 155 19.068 -1.056 11.587 1.00 0.00 H new ATOM 0 HD3 LYS A 155 19.472 0.554 11.023 1.00 0.00 H new ATOM 0 HE2 LYS A 155 17.280 1.147 10.809 1.00 0.00 H new ATOM 0 HE3 LYS A 155 16.874 -0.335 9.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 15.735 -0.191 12.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 16.819 -1.498 12.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 17.212 -0.062 12.908 1.00 0.00 H new ATOM 354 N GLY A 156 16.805 1.786 7.013 1.00 0.00 N ATOM 355 CA GLY A 156 15.733 2.725 7.302 1.00 0.00 C ATOM 356 C GLY A 156 15.593 3.758 6.183 1.00 0.00 C ATOM 357 O GLY A 156 15.287 4.921 6.441 1.00 0.00 O ATOM 0 H GLY A 156 16.725 1.310 6.114 1.00 0.00 H new ATOM 0 HA2 GLY A 156 14.794 2.185 7.423 1.00 0.00 H new ATOM 0 HA3 GLY A 156 15.933 3.231 8.246 1.00 0.00 H new ATOM 361 N ASP A 157 15.825 3.296 4.963 1.00 0.00 N ATOM 362 CA ASP A 157 15.728 4.166 3.802 1.00 0.00 C ATOM 363 C ASP A 157 14.273 4.223 3.334 1.00 0.00 C ATOM 364 O ASP A 157 13.578 3.208 3.329 1.00 0.00 O ATOM 365 CB ASP A 157 16.579 3.638 2.645 1.00 0.00 C ATOM 366 CG ASP A 157 16.251 4.236 1.276 1.00 0.00 C ATOM 367 OD1 ASP A 157 16.270 5.483 1.184 1.00 0.00 O ATOM 368 OD2 ASP A 157 15.989 3.434 0.354 1.00 0.00 O ATOM 0 H ASP A 157 16.080 2.331 4.753 1.00 0.00 H new ATOM 0 HA ASP A 157 16.086 5.154 4.090 1.00 0.00 H new ATOM 0 HB2 ASP A 157 17.628 3.832 2.868 1.00 0.00 H new ATOM 0 HB3 ASP A 157 16.460 2.556 2.590 1.00 0.00 H new ATOM 373 N ILE A 158 13.855 5.421 2.949 1.00 0.00 N ATOM 374 CA ILE A 158 12.496 5.623 2.479 1.00 0.00 C ATOM 375 C ILE A 158 12.465 5.504 0.954 1.00 0.00 C ATOM 376 O ILE A 158 13.316 6.066 0.266 1.00 0.00 O ATOM 377 CB ILE A 158 11.940 6.949 3.003 1.00 0.00 C ATOM 378 CG1 ILE A 158 12.328 7.166 4.467 1.00 0.00 C ATOM 379 CG2 ILE A 158 10.427 7.030 2.794 1.00 0.00 C ATOM 380 CD1 ILE A 158 11.956 5.951 5.319 1.00 0.00 C ATOM 0 H ILE A 158 14.434 6.261 2.953 1.00 0.00 H new ATOM 0 HA ILE A 158 11.838 4.849 2.873 1.00 0.00 H new ATOM 0 HB ILE A 158 12.389 7.758 2.427 1.00 0.00 H new ATOM 0 HG12 ILE A 158 13.400 7.351 4.539 1.00 0.00 H new ATOM 0 HG13 ILE A 158 11.825 8.053 4.853 1.00 0.00 H new ATOM 0 HG21 ILE A 158 10.058 7.982 3.175 1.00 0.00 H new ATOM 0 HG22 ILE A 158 10.202 6.953 1.730 1.00 0.00 H new ATOM 0 HG23 ILE A 158 9.942 6.213 3.328 1.00 0.00 H new ATOM 0 HD11 ILE A 158 12.243 6.132 6.355 1.00 0.00 H new ATOM 0 HD12 ILE A 158 10.880 5.784 5.264 1.00 0.00 H new ATOM 0 HD13 ILE A 158 12.480 5.071 4.946 1.00 0.00 H new ATOM 392 N LEU A 159 11.475 4.768 0.470 1.00 0.00 N ATOM 393 CA LEU A 159 11.322 4.569 -0.961 1.00 0.00 C ATOM 394 C LEU A 159 9.832 4.535 -1.311 1.00 0.00 C ATOM 395 O LEU A 159 8.983 4.528 -0.422 1.00 0.00 O ATOM 396 CB LEU A 159 12.087 3.323 -1.412 1.00 0.00 C ATOM 397 CG LEU A 159 13.417 3.059 -0.704 1.00 0.00 C ATOM 398 CD1 LEU A 159 13.228 2.107 0.479 1.00 0.00 C ATOM 399 CD2 LEU A 159 14.472 2.549 -1.688 1.00 0.00 C ATOM 0 H LEU A 159 10.771 4.303 1.043 1.00 0.00 H new ATOM 0 HA LEU A 159 11.760 5.402 -1.511 1.00 0.00 H new ATOM 0 HB2 LEU A 159 11.444 2.455 -1.269 1.00 0.00 H new ATOM 0 HB3 LEU A 159 12.278 3.406 -2.482 1.00 0.00 H new ATOM 0 HG LEU A 159 13.783 4.004 -0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 159 14.188 1.936 0.965 1.00 0.00 H new ATOM 0 HD12 LEU A 159 12.533 2.548 1.194 1.00 0.00 H new ATOM 0 HD13 LEU A 159 12.828 1.158 0.122 1.00 0.00 H new ATOM 0 HD21 LEU A 159 15.407 2.370 -1.158 1.00 0.00 H new ATOM 0 HD22 LEU A 159 14.128 1.619 -2.141 1.00 0.00 H new ATOM 0 HD23 LEU A 159 14.634 3.294 -2.467 1.00 0.00 H new ATOM 411 N ARG A 160 9.562 4.517 -2.607 1.00 0.00 N ATOM 412 CA ARG A 160 8.191 4.485 -3.086 1.00 0.00 C ATOM 413 C ARG A 160 7.903 3.155 -3.785 1.00 0.00 C ATOM 414 O ARG A 160 8.744 2.643 -4.521 1.00 0.00 O ATOM 415 CB ARG A 160 7.920 5.634 -4.058 1.00 0.00 C ATOM 416 CG ARG A 160 6.445 5.672 -4.466 1.00 0.00 C ATOM 417 CD ARG A 160 6.271 6.330 -5.836 1.00 0.00 C ATOM 418 NE ARG A 160 4.961 7.013 -5.907 1.00 0.00 N ATOM 419 CZ ARG A 160 4.571 7.789 -6.928 1.00 0.00 C ATOM 420 NH1 ARG A 160 5.390 7.985 -7.970 1.00 0.00 N ATOM 421 NH2 ARG A 160 3.363 8.368 -6.907 1.00 0.00 N ATOM 0 H ARG A 160 10.270 4.524 -3.341 1.00 0.00 H new ATOM 0 HA ARG A 160 7.536 4.594 -2.222 1.00 0.00 H new ATOM 0 HB2 ARG A 160 8.197 6.581 -3.594 1.00 0.00 H new ATOM 0 HB3 ARG A 160 8.543 5.519 -4.945 1.00 0.00 H new ATOM 0 HG2 ARG A 160 6.045 4.658 -4.492 1.00 0.00 H new ATOM 0 HG3 ARG A 160 5.872 6.222 -3.719 1.00 0.00 H new ATOM 0 HD2 ARG A 160 7.074 7.047 -6.009 1.00 0.00 H new ATOM 0 HD3 ARG A 160 6.341 5.577 -6.621 1.00 0.00 H new ATOM 0 HE ARG A 160 4.313 6.885 -5.130 1.00 0.00 H new ATOM 0 HH11 ARG A 160 6.310 7.544 -7.986 1.00 0.00 H new ATOM 0 HH12 ARG A 160 5.094 8.575 -8.747 1.00 0.00 H new ATOM 0 HH21 ARG A 160 2.739 8.218 -6.114 1.00 0.00 H new ATOM 0 HH22 ARG A 160 3.067 8.958 -7.684 1.00 0.00 H new ATOM 435 N ILE A 161 6.711 2.635 -3.531 1.00 0.00 N ATOM 436 CA ILE A 161 6.303 1.374 -4.126 1.00 0.00 C ATOM 437 C ILE A 161 5.598 1.649 -5.456 1.00 0.00 C ATOM 438 O ILE A 161 4.497 2.198 -5.478 1.00 0.00 O ATOM 439 CB ILE A 161 5.461 0.563 -3.140 1.00 0.00 C ATOM 440 CG1 ILE A 161 6.121 -0.782 -2.831 1.00 0.00 C ATOM 441 CG2 ILE A 161 4.028 0.393 -3.651 1.00 0.00 C ATOM 442 CD1 ILE A 161 7.595 -0.597 -2.464 1.00 0.00 C ATOM 0 H ILE A 161 6.015 3.064 -2.921 1.00 0.00 H new ATOM 0 HA ILE A 161 7.174 0.757 -4.347 1.00 0.00 H new ATOM 0 HB ILE A 161 5.406 1.118 -2.203 1.00 0.00 H new ATOM 0 HG12 ILE A 161 5.596 -1.269 -2.009 1.00 0.00 H new ATOM 0 HG13 ILE A 161 6.038 -1.440 -3.696 1.00 0.00 H new ATOM 0 HG21 ILE A 161 3.451 -0.187 -2.931 1.00 0.00 H new ATOM 0 HG22 ILE A 161 3.568 1.373 -3.778 1.00 0.00 H new ATOM 0 HG23 ILE A 161 4.042 -0.128 -4.608 1.00 0.00 H new ATOM 0 HD11 ILE A 161 8.041 -1.568 -2.249 1.00 0.00 H new ATOM 0 HD12 ILE A 161 8.122 -0.132 -3.297 1.00 0.00 H new ATOM 0 HD13 ILE A 161 7.673 0.041 -1.584 1.00 0.00 H new ATOM 454 N ARG A 162 6.260 1.255 -6.533 1.00 0.00 N ATOM 455 CA ARG A 162 5.711 1.451 -7.864 1.00 0.00 C ATOM 456 C ARG A 162 4.903 0.224 -8.292 1.00 0.00 C ATOM 457 O ARG A 162 3.740 0.345 -8.674 1.00 0.00 O ATOM 458 CB ARG A 162 6.820 1.705 -8.886 1.00 0.00 C ATOM 459 CG ARG A 162 6.267 1.686 -10.312 1.00 0.00 C ATOM 460 CD ARG A 162 5.354 2.889 -10.563 1.00 0.00 C ATOM 461 NE ARG A 162 5.964 3.786 -11.570 1.00 0.00 N ATOM 462 CZ ARG A 162 5.828 3.631 -12.894 1.00 0.00 C ATOM 463 NH1 ARG A 162 5.104 2.612 -13.378 1.00 0.00 N ATOM 464 NH2 ARG A 162 6.417 4.494 -13.733 1.00 0.00 N ATOM 0 H ARG A 162 7.173 0.800 -6.511 1.00 0.00 H new ATOM 0 HA ARG A 162 5.060 2.324 -7.828 1.00 0.00 H new ATOM 0 HB2 ARG A 162 7.289 2.669 -8.687 1.00 0.00 H new ATOM 0 HB3 ARG A 162 7.595 0.946 -8.783 1.00 0.00 H new ATOM 0 HG2 ARG A 162 7.091 1.695 -11.025 1.00 0.00 H new ATOM 0 HG3 ARG A 162 5.712 0.763 -10.478 1.00 0.00 H new ATOM 0 HD2 ARG A 162 4.378 2.549 -10.910 1.00 0.00 H new ATOM 0 HD3 ARG A 162 5.190 3.432 -9.632 1.00 0.00 H new ATOM 0 HE ARG A 162 6.523 4.571 -11.235 1.00 0.00 H new ATOM 0 HH11 ARG A 162 4.657 1.955 -12.739 1.00 0.00 H new ATOM 0 HH12 ARG A 162 5.000 2.494 -14.386 1.00 0.00 H new ATOM 0 HH21 ARG A 162 6.969 5.268 -13.364 1.00 0.00 H new ATOM 0 HH22 ARG A 162 6.314 4.376 -14.741 1.00 0.00 H new ATOM 478 N ASP A 163 5.552 -0.928 -8.213 1.00 0.00 N ATOM 479 CA ASP A 163 4.908 -2.177 -8.587 1.00 0.00 C ATOM 480 C ASP A 163 5.505 -3.320 -7.764 1.00 0.00 C ATOM 481 O ASP A 163 6.390 -3.099 -6.938 1.00 0.00 O ATOM 482 CB ASP A 163 5.135 -2.490 -10.067 1.00 0.00 C ATOM 483 CG ASP A 163 6.550 -2.211 -10.579 1.00 0.00 C ATOM 484 OD1 ASP A 163 6.974 -1.041 -10.462 1.00 0.00 O ATOM 485 OD2 ASP A 163 7.174 -3.173 -11.075 1.00 0.00 O ATOM 0 H ASP A 163 6.517 -1.024 -7.896 1.00 0.00 H new ATOM 0 HA ASP A 163 3.839 -2.076 -8.399 1.00 0.00 H new ATOM 0 HB2 ASP A 163 4.903 -3.541 -10.240 1.00 0.00 H new ATOM 0 HB3 ASP A 163 4.429 -1.906 -10.658 1.00 0.00 H new ATOM 490 N LYS A 164 4.998 -4.517 -8.019 1.00 0.00 N ATOM 491 CA LYS A 164 5.471 -5.695 -7.311 1.00 0.00 C ATOM 492 C LYS A 164 5.051 -6.949 -8.081 1.00 0.00 C ATOM 493 O LYS A 164 3.865 -7.265 -8.161 1.00 0.00 O ATOM 494 CB LYS A 164 4.990 -5.676 -5.859 1.00 0.00 C ATOM 495 CG LYS A 164 3.597 -5.054 -5.749 1.00 0.00 C ATOM 496 CD LYS A 164 3.664 -3.667 -5.106 1.00 0.00 C ATOM 497 CE LYS A 164 2.367 -3.344 -4.363 1.00 0.00 C ATOM 498 NZ LYS A 164 2.564 -3.461 -2.900 1.00 0.00 N ATOM 0 H LYS A 164 4.265 -4.697 -8.705 1.00 0.00 H new ATOM 0 HA LYS A 164 6.560 -5.699 -7.262 1.00 0.00 H new ATOM 0 HB2 LYS A 164 4.970 -6.692 -5.466 1.00 0.00 H new ATOM 0 HB3 LYS A 164 5.693 -5.111 -5.247 1.00 0.00 H new ATOM 0 HG2 LYS A 164 3.150 -4.978 -6.740 1.00 0.00 H new ATOM 0 HG3 LYS A 164 2.951 -5.702 -5.157 1.00 0.00 H new ATOM 0 HD2 LYS A 164 4.505 -3.624 -4.413 1.00 0.00 H new ATOM 0 HD3 LYS A 164 3.844 -2.915 -5.874 1.00 0.00 H new ATOM 0 HE2 LYS A 164 2.040 -2.334 -4.612 1.00 0.00 H new ATOM 0 HE3 LYS A 164 1.578 -4.023 -4.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 1.688 -3.189 -2.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 2.805 -4.444 -2.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 3.337 -2.832 -2.602 1.00 0.00 H new ATOM 512 N PRO A 165 6.073 -7.647 -8.643 1.00 0.00 N ATOM 513 CA PRO A 165 5.823 -8.859 -9.404 1.00 0.00 C ATOM 514 C PRO A 165 5.488 -10.029 -8.477 1.00 0.00 C ATOM 515 O PRO A 165 4.426 -10.638 -8.599 1.00 0.00 O ATOM 516 CB PRO A 165 7.091 -9.086 -10.212 1.00 0.00 C ATOM 517 CG PRO A 165 8.172 -8.262 -9.531 1.00 0.00 C ATOM 518 CD PRO A 165 7.490 -7.302 -8.570 1.00 0.00 C ATOM 0 HA PRO A 165 4.958 -8.771 -10.062 1.00 0.00 H new ATOM 0 HB2 PRO A 165 7.359 -10.142 -10.230 1.00 0.00 H new ATOM 0 HB3 PRO A 165 6.956 -8.773 -11.247 1.00 0.00 H new ATOM 0 HG2 PRO A 165 8.865 -8.910 -8.995 1.00 0.00 H new ATOM 0 HG3 PRO A 165 8.755 -7.712 -10.270 1.00 0.00 H new ATOM 0 HD2 PRO A 165 7.874 -7.417 -7.556 1.00 0.00 H new ATOM 0 HD3 PRO A 165 7.660 -6.265 -8.859 1.00 0.00 H new ATOM 526 N GLU A 166 6.414 -10.309 -7.572 1.00 0.00 N ATOM 527 CA GLU A 166 6.230 -11.395 -6.624 1.00 0.00 C ATOM 528 C GLU A 166 5.676 -10.859 -5.302 1.00 0.00 C ATOM 529 O GLU A 166 4.613 -10.243 -5.275 1.00 0.00 O ATOM 530 CB GLU A 166 7.539 -12.156 -6.403 1.00 0.00 C ATOM 531 CG GLU A 166 8.066 -12.735 -7.717 1.00 0.00 C ATOM 532 CD GLU A 166 8.348 -14.234 -7.581 1.00 0.00 C ATOM 533 OE1 GLU A 166 9.064 -14.591 -6.622 1.00 0.00 O ATOM 534 OE2 GLU A 166 7.840 -14.986 -8.440 1.00 0.00 O ATOM 0 H GLU A 166 7.294 -9.803 -7.475 1.00 0.00 H new ATOM 0 HA GLU A 166 5.506 -12.096 -7.040 1.00 0.00 H new ATOM 0 HB2 GLU A 166 8.284 -11.487 -5.972 1.00 0.00 H new ATOM 0 HB3 GLU A 166 7.379 -12.961 -5.685 1.00 0.00 H new ATOM 0 HG2 GLU A 166 7.337 -12.569 -8.510 1.00 0.00 H new ATOM 0 HG3 GLU A 166 8.978 -12.214 -8.008 1.00 0.00 H new ATOM 541 N GLU A 167 6.425 -11.113 -4.238 1.00 0.00 N ATOM 542 CA GLU A 167 6.022 -10.663 -2.917 1.00 0.00 C ATOM 543 C GLU A 167 7.254 -10.367 -2.058 1.00 0.00 C ATOM 544 O GLU A 167 7.322 -9.332 -1.400 1.00 0.00 O ATOM 545 CB GLU A 167 5.116 -11.692 -2.239 1.00 0.00 C ATOM 546 CG GLU A 167 3.659 -11.227 -2.242 1.00 0.00 C ATOM 547 CD GLU A 167 3.075 -11.246 -0.827 1.00 0.00 C ATOM 548 OE1 GLU A 167 3.609 -10.497 0.018 1.00 0.00 O ATOM 549 OE2 GLU A 167 2.107 -12.010 -0.624 1.00 0.00 O ATOM 0 H GLU A 167 7.307 -11.624 -4.264 1.00 0.00 H new ATOM 0 HA GLU A 167 5.450 -9.742 -3.028 1.00 0.00 H new ATOM 0 HB2 GLU A 167 5.197 -12.649 -2.755 1.00 0.00 H new ATOM 0 HB3 GLU A 167 5.448 -11.854 -1.213 1.00 0.00 H new ATOM 0 HG2 GLU A 167 3.596 -10.219 -2.652 1.00 0.00 H new ATOM 0 HG3 GLU A 167 3.069 -11.873 -2.892 1.00 0.00 H new ATOM 556 N GLN A 168 8.197 -11.298 -2.094 1.00 0.00 N ATOM 557 CA GLN A 168 9.424 -11.150 -1.328 1.00 0.00 C ATOM 558 C GLN A 168 10.246 -9.978 -1.865 1.00 0.00 C ATOM 559 O GLN A 168 11.146 -9.484 -1.186 1.00 0.00 O ATOM 560 CB GLN A 168 10.238 -12.445 -1.342 1.00 0.00 C ATOM 561 CG GLN A 168 9.502 -13.563 -0.602 1.00 0.00 C ATOM 562 CD GLN A 168 10.373 -14.818 -0.498 1.00 0.00 C ATOM 563 OE1 GLN A 168 11.562 -14.803 -0.771 1.00 0.00 O ATOM 564 NE2 GLN A 168 9.717 -15.900 -0.091 1.00 0.00 N ATOM 0 H GLN A 168 8.136 -12.157 -2.641 1.00 0.00 H new ATOM 0 HA GLN A 168 9.160 -10.938 -0.292 1.00 0.00 H new ATOM 0 HB2 GLN A 168 10.427 -12.749 -2.372 1.00 0.00 H new ATOM 0 HB3 GLN A 168 11.209 -12.274 -0.877 1.00 0.00 H new ATOM 0 HG2 GLN A 168 9.227 -13.223 0.396 1.00 0.00 H new ATOM 0 HG3 GLN A 168 8.575 -13.801 -1.124 1.00 0.00 H new ATOM 0 HE21 GLN A 168 8.721 -15.843 0.121 1.00 0.00 H new ATOM 0 HE22 GLN A 168 10.210 -16.787 0.009 1.00 0.00 H new ATOM 573 N TRP A 169 9.910 -9.567 -3.078 1.00 0.00 N ATOM 574 CA TRP A 169 10.607 -8.462 -3.714 1.00 0.00 C ATOM 575 C TRP A 169 9.558 -7.515 -4.300 1.00 0.00 C ATOM 576 O TRP A 169 8.623 -7.955 -4.967 1.00 0.00 O ATOM 577 CB TRP A 169 11.603 -8.970 -4.758 1.00 0.00 C ATOM 578 CG TRP A 169 12.914 -9.493 -4.165 1.00 0.00 C ATOM 579 CD1 TRP A 169 13.263 -10.765 -3.931 1.00 0.00 C ATOM 580 CD2 TRP A 169 14.042 -8.700 -3.739 1.00 0.00 C ATOM 581 NE1 TRP A 169 14.529 -10.850 -3.387 1.00 0.00 N ATOM 582 CE2 TRP A 169 15.018 -9.554 -3.267 1.00 0.00 C ATOM 583 CE3 TRP A 169 14.231 -7.307 -3.752 1.00 0.00 C ATOM 584 CZ2 TRP A 169 16.250 -9.112 -2.772 1.00 0.00 C ATOM 585 CZ3 TRP A 169 15.468 -6.880 -3.254 1.00 0.00 C ATOM 586 CH2 TRP A 169 16.461 -7.727 -2.776 1.00 0.00 C ATOM 0 H TRP A 169 9.164 -9.979 -3.638 1.00 0.00 H new ATOM 0 HA TRP A 169 11.204 -7.913 -2.986 1.00 0.00 H new ATOM 0 HB2 TRP A 169 11.134 -9.767 -5.335 1.00 0.00 H new ATOM 0 HB3 TRP A 169 11.828 -8.162 -5.454 1.00 0.00 H new ATOM 0 HD1 TRP A 169 12.633 -11.617 -4.141 1.00 0.00 H new ATOM 0 HE1 TRP A 169 15.016 -11.706 -3.122 1.00 0.00 H new ATOM 0 HE3 TRP A 169 13.481 -6.621 -4.117 1.00 0.00 H new ATOM 0 HZ2 TRP A 169 16.997 -9.801 -2.407 1.00 0.00 H new ATOM 0 HZ3 TRP A 169 15.664 -5.818 -3.240 1.00 0.00 H new ATOM 0 HH2 TRP A 169 17.391 -7.319 -2.409 1.00 0.00 H new ATOM 597 N TRP A 170 9.748 -6.232 -4.030 1.00 0.00 N ATOM 598 CA TRP A 170 8.830 -5.219 -4.523 1.00 0.00 C ATOM 599 C TRP A 170 9.642 -4.188 -5.310 1.00 0.00 C ATOM 600 O TRP A 170 10.742 -3.819 -4.905 1.00 0.00 O ATOM 601 CB TRP A 170 8.030 -4.599 -3.374 1.00 0.00 C ATOM 602 CG TRP A 170 6.830 -5.437 -2.929 1.00 0.00 C ATOM 603 CD1 TRP A 170 6.339 -6.545 -3.502 1.00 0.00 C ATOM 604 CD2 TRP A 170 5.985 -5.189 -1.787 1.00 0.00 C ATOM 605 NE1 TRP A 170 5.244 -7.027 -2.814 1.00 0.00 N ATOM 606 CE2 TRP A 170 5.021 -6.176 -1.738 1.00 0.00 C ATOM 607 CE3 TRP A 170 6.032 -4.164 -0.825 1.00 0.00 C ATOM 608 CZ2 TRP A 170 4.033 -6.235 -0.748 1.00 0.00 C ATOM 609 CZ3 TRP A 170 5.038 -4.237 0.158 1.00 0.00 C ATOM 610 CH2 TRP A 170 4.061 -5.224 0.220 1.00 0.00 C ATOM 0 H TRP A 170 10.524 -5.870 -3.476 1.00 0.00 H new ATOM 0 HA TRP A 170 8.089 -5.661 -5.189 1.00 0.00 H new ATOM 0 HB2 TRP A 170 8.693 -4.451 -2.522 1.00 0.00 H new ATOM 0 HB3 TRP A 170 7.679 -3.613 -3.680 1.00 0.00 H new ATOM 0 HD1 TRP A 170 6.749 -7.003 -4.390 1.00 0.00 H new ATOM 0 HE1 TRP A 170 4.699 -7.856 -3.052 1.00 0.00 H new ATOM 0 HE3 TRP A 170 6.777 -3.382 -0.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 170 3.289 -7.018 -0.732 1.00 0.00 H new ATOM 0 HZ3 TRP A 170 5.030 -3.473 0.922 1.00 0.00 H new ATOM 0 HH2 TRP A 170 3.327 -5.211 1.012 1.00 0.00 H new ATOM 621 N ASN A 171 9.065 -3.753 -6.421 1.00 0.00 N ATOM 622 CA ASN A 171 9.720 -2.772 -7.269 1.00 0.00 C ATOM 623 C ASN A 171 9.373 -1.365 -6.778 1.00 0.00 C ATOM 624 O ASN A 171 8.291 -0.853 -7.062 1.00 0.00 O ATOM 625 CB ASN A 171 9.249 -2.895 -8.720 1.00 0.00 C ATOM 626 CG ASN A 171 10.216 -2.188 -9.672 1.00 0.00 C ATOM 627 OD1 ASN A 171 10.959 -1.297 -9.294 1.00 0.00 O ATOM 628 ND2 ASN A 171 10.164 -2.633 -10.924 1.00 0.00 N ATOM 0 H ASN A 171 8.151 -4.062 -6.753 1.00 0.00 H new ATOM 0 HA ASN A 171 10.794 -2.951 -7.222 1.00 0.00 H new ATOM 0 HB2 ASN A 171 9.169 -3.947 -8.992 1.00 0.00 H new ATOM 0 HB3 ASN A 171 8.253 -2.463 -8.821 1.00 0.00 H new ATOM 0 HD21 ASN A 171 10.770 -2.225 -11.636 1.00 0.00 H new ATOM 0 HD22 ASN A 171 9.518 -3.382 -11.172 1.00 0.00 H new ATOM 635 N ALA A 172 10.311 -0.780 -6.047 1.00 0.00 N ATOM 636 CA ALA A 172 10.118 0.557 -5.513 1.00 0.00 C ATOM 637 C ALA A 172 11.120 1.512 -6.163 1.00 0.00 C ATOM 638 O ALA A 172 12.065 1.074 -6.818 1.00 0.00 O ATOM 639 CB ALA A 172 10.249 0.523 -3.989 1.00 0.00 C ATOM 0 H ALA A 172 11.207 -1.208 -5.812 1.00 0.00 H new ATOM 0 HA ALA A 172 9.117 0.921 -5.746 1.00 0.00 H new ATOM 0 HB1 ALA A 172 10.104 1.527 -3.589 1.00 0.00 H new ATOM 0 HB2 ALA A 172 9.495 -0.146 -3.574 1.00 0.00 H new ATOM 0 HB3 ALA A 172 11.242 0.164 -3.717 1.00 0.00 H new ATOM 645 N GLU A 173 10.882 2.799 -5.960 1.00 0.00 N ATOM 646 CA GLU A 173 11.752 3.819 -6.519 1.00 0.00 C ATOM 647 C GLU A 173 12.503 4.547 -5.402 1.00 0.00 C ATOM 648 O GLU A 173 11.886 5.077 -4.478 1.00 0.00 O ATOM 649 CB GLU A 173 10.960 4.805 -7.380 1.00 0.00 C ATOM 650 CG GLU A 173 11.230 4.574 -8.867 1.00 0.00 C ATOM 651 CD GLU A 173 10.305 5.432 -9.733 1.00 0.00 C ATOM 652 OE1 GLU A 173 10.548 6.658 -9.780 1.00 0.00 O ATOM 653 OE2 GLU A 173 9.376 4.844 -10.327 1.00 0.00 O ATOM 0 H GLU A 173 10.098 3.159 -5.416 1.00 0.00 H new ATOM 0 HA GLU A 173 12.483 3.331 -7.164 1.00 0.00 H new ATOM 0 HB2 GLU A 173 9.894 4.694 -7.179 1.00 0.00 H new ATOM 0 HB3 GLU A 173 11.231 5.826 -7.112 1.00 0.00 H new ATOM 0 HG2 GLU A 173 12.269 4.812 -9.093 1.00 0.00 H new ATOM 0 HG3 GLU A 173 11.085 3.521 -9.107 1.00 0.00 H new ATOM 660 N ASP A 174 13.822 4.549 -5.521 1.00 0.00 N ATOM 661 CA ASP A 174 14.663 5.203 -4.534 1.00 0.00 C ATOM 662 C ASP A 174 14.426 6.714 -4.588 1.00 0.00 C ATOM 663 O ASP A 174 13.902 7.229 -5.575 1.00 0.00 O ATOM 664 CB ASP A 174 16.144 4.947 -4.814 1.00 0.00 C ATOM 665 CG ASP A 174 17.053 4.991 -3.583 1.00 0.00 C ATOM 666 OD1 ASP A 174 17.001 4.014 -2.805 1.00 0.00 O ATOM 667 OD2 ASP A 174 17.778 5.999 -3.449 1.00 0.00 O ATOM 0 H ASP A 174 14.330 4.107 -6.287 1.00 0.00 H new ATOM 0 HA ASP A 174 14.407 4.800 -3.554 1.00 0.00 H new ATOM 0 HB2 ASP A 174 16.245 3.970 -5.287 1.00 0.00 H new ATOM 0 HB3 ASP A 174 16.495 5.687 -5.533 1.00 0.00 H new ATOM 672 N SER A 175 14.823 7.382 -3.515 1.00 0.00 N ATOM 673 CA SER A 175 14.660 8.822 -3.427 1.00 0.00 C ATOM 674 C SER A 175 15.265 9.493 -4.663 1.00 0.00 C ATOM 675 O SER A 175 14.923 10.629 -4.987 1.00 0.00 O ATOM 676 CB SER A 175 15.306 9.375 -2.155 1.00 0.00 C ATOM 677 OG SER A 175 16.728 9.292 -2.199 1.00 0.00 O ATOM 0 H SER A 175 15.258 6.952 -2.699 1.00 0.00 H new ATOM 0 HA SER A 175 13.593 9.042 -3.385 1.00 0.00 H new ATOM 0 HB2 SER A 175 15.008 10.415 -2.019 1.00 0.00 H new ATOM 0 HB3 SER A 175 14.937 8.822 -1.291 1.00 0.00 H new ATOM 0 HG SER A 175 17.103 9.656 -1.370 1.00 0.00 H new ATOM 683 N GLU A 176 16.153 8.761 -5.319 1.00 0.00 N ATOM 684 CA GLU A 176 16.809 9.270 -6.511 1.00 0.00 C ATOM 685 C GLU A 176 15.873 9.165 -7.718 1.00 0.00 C ATOM 686 O GLU A 176 16.012 9.915 -8.683 1.00 0.00 O ATOM 687 CB GLU A 176 18.124 8.533 -6.772 1.00 0.00 C ATOM 688 CG GLU A 176 19.126 8.783 -5.644 1.00 0.00 C ATOM 689 CD GLU A 176 19.883 7.503 -5.289 1.00 0.00 C ATOM 690 OE1 GLU A 176 20.477 6.917 -6.219 1.00 0.00 O ATOM 691 OE2 GLU A 176 19.852 7.138 -4.093 1.00 0.00 O ATOM 0 H GLU A 176 16.434 7.819 -5.047 1.00 0.00 H new ATOM 0 HA GLU A 176 17.046 10.321 -6.349 1.00 0.00 H new ATOM 0 HB2 GLU A 176 17.934 7.464 -6.864 1.00 0.00 H new ATOM 0 HB3 GLU A 176 18.548 8.864 -7.720 1.00 0.00 H new ATOM 0 HG2 GLU A 176 19.833 9.556 -5.946 1.00 0.00 H new ATOM 0 HG3 GLU A 176 18.602 9.156 -4.764 1.00 0.00 H new ATOM 698 N GLY A 177 14.941 8.228 -7.623 1.00 0.00 N ATOM 699 CA GLY A 177 13.982 8.015 -8.694 1.00 0.00 C ATOM 700 C GLY A 177 14.384 6.819 -9.560 1.00 0.00 C ATOM 701 O GLY A 177 14.105 6.793 -10.757 1.00 0.00 O ATOM 0 H GLY A 177 14.829 7.608 -6.821 1.00 0.00 H new ATOM 0 HA2 GLY A 177 12.991 7.846 -8.272 1.00 0.00 H new ATOM 0 HA3 GLY A 177 13.917 8.910 -9.312 1.00 0.00 H new ATOM 705 N LYS A 178 15.031 5.857 -8.919 1.00 0.00 N ATOM 706 CA LYS A 178 15.474 4.661 -9.615 1.00 0.00 C ATOM 707 C LYS A 178 14.546 3.497 -9.260 1.00 0.00 C ATOM 708 O LYS A 178 14.355 3.186 -8.086 1.00 0.00 O ATOM 709 CB LYS A 178 16.949 4.382 -9.317 1.00 0.00 C ATOM 710 CG LYS A 178 17.307 4.789 -7.886 1.00 0.00 C ATOM 711 CD LYS A 178 18.737 4.372 -7.539 1.00 0.00 C ATOM 712 CE LYS A 178 18.743 3.205 -6.549 1.00 0.00 C ATOM 713 NZ LYS A 178 19.622 3.507 -5.397 1.00 0.00 N ATOM 0 H LYS A 178 15.259 5.881 -7.925 1.00 0.00 H new ATOM 0 HA LYS A 178 15.411 4.804 -10.694 1.00 0.00 H new ATOM 0 HB2 LYS A 178 17.158 3.322 -9.460 1.00 0.00 H new ATOM 0 HB3 LYS A 178 17.576 4.929 -10.022 1.00 0.00 H new ATOM 0 HG2 LYS A 178 17.202 5.868 -7.774 1.00 0.00 H new ATOM 0 HG3 LYS A 178 16.610 4.326 -7.187 1.00 0.00 H new ATOM 0 HD2 LYS A 178 19.267 4.086 -8.448 1.00 0.00 H new ATOM 0 HD3 LYS A 178 19.273 5.219 -7.111 1.00 0.00 H new ATOM 0 HE2 LYS A 178 17.729 3.012 -6.199 1.00 0.00 H new ATOM 0 HE3 LYS A 178 19.086 2.299 -7.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 178 19.588 2.719 -4.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 178 20.599 3.636 -5.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 178 19.297 4.379 -4.932 1.00 0.00 H new ATOM 727 N ARG A 179 13.992 2.886 -10.298 1.00 0.00 N ATOM 728 CA ARG A 179 13.089 1.764 -10.111 1.00 0.00 C ATOM 729 C ARG A 179 13.880 0.460 -9.989 1.00 0.00 C ATOM 730 O ARG A 179 14.513 0.022 -10.948 1.00 0.00 O ATOM 731 CB ARG A 179 12.106 1.648 -11.278 1.00 0.00 C ATOM 732 CG ARG A 179 11.778 3.026 -11.857 1.00 0.00 C ATOM 733 CD ARG A 179 10.370 3.049 -12.454 1.00 0.00 C ATOM 734 NE ARG A 179 10.416 2.649 -13.878 1.00 0.00 N ATOM 735 CZ ARG A 179 9.370 2.155 -14.555 1.00 0.00 C ATOM 736 NH1 ARG A 179 8.190 1.998 -13.941 1.00 0.00 N ATOM 737 NH2 ARG A 179 9.505 1.819 -15.845 1.00 0.00 N ATOM 0 H ARG A 179 14.152 3.147 -11.271 1.00 0.00 H new ATOM 0 HA ARG A 179 12.528 1.940 -9.193 1.00 0.00 H new ATOM 0 HB2 ARG A 179 12.532 1.015 -12.056 1.00 0.00 H new ATOM 0 HB3 ARG A 179 11.190 1.164 -10.940 1.00 0.00 H new ATOM 0 HG2 ARG A 179 11.858 3.781 -11.075 1.00 0.00 H new ATOM 0 HG3 ARG A 179 12.507 3.284 -12.625 1.00 0.00 H new ATOM 0 HD2 ARG A 179 9.720 2.373 -11.899 1.00 0.00 H new ATOM 0 HD3 ARG A 179 9.944 4.048 -12.362 1.00 0.00 H new ATOM 0 HE ARG A 179 11.300 2.756 -14.376 1.00 0.00 H new ATOM 0 HH11 ARG A 179 8.088 2.254 -12.959 1.00 0.00 H new ATOM 0 HH12 ARG A 179 7.393 1.622 -14.455 1.00 0.00 H new ATOM 0 HH21 ARG A 179 10.404 1.939 -16.312 1.00 0.00 H new ATOM 0 HH22 ARG A 179 8.709 1.443 -16.360 1.00 0.00 H new ATOM 751 N GLY A 180 13.817 -0.123 -8.801 1.00 0.00 N ATOM 752 CA GLY A 180 14.521 -1.368 -8.541 1.00 0.00 C ATOM 753 C GLY A 180 13.725 -2.257 -7.583 1.00 0.00 C ATOM 754 O GLY A 180 12.668 -1.859 -7.093 1.00 0.00 O ATOM 0 H GLY A 180 13.290 0.243 -8.008 1.00 0.00 H new ATOM 0 HA2 GLY A 180 14.690 -1.897 -9.479 1.00 0.00 H new ATOM 0 HA3 GLY A 180 15.501 -1.154 -8.115 1.00 0.00 H new ATOM 758 N MET A 181 14.262 -3.444 -7.344 1.00 0.00 N ATOM 759 CA MET A 181 13.615 -4.392 -6.454 1.00 0.00 C ATOM 760 C MET A 181 14.059 -4.177 -5.005 1.00 0.00 C ATOM 761 O MET A 181 15.212 -3.832 -4.751 1.00 0.00 O ATOM 762 CB MET A 181 13.961 -5.819 -6.887 1.00 0.00 C ATOM 763 CG MET A 181 12.837 -6.426 -7.727 1.00 0.00 C ATOM 764 SD MET A 181 12.925 -5.812 -9.401 1.00 0.00 S ATOM 765 CE MET A 181 11.276 -5.149 -9.575 1.00 0.00 C ATOM 0 H MET A 181 15.138 -3.771 -7.751 1.00 0.00 H new ATOM 0 HA MET A 181 12.538 -4.236 -6.511 1.00 0.00 H new ATOM 0 HB2 MET A 181 14.887 -5.814 -7.462 1.00 0.00 H new ATOM 0 HB3 MET A 181 14.136 -6.437 -6.007 1.00 0.00 H new ATOM 0 HG2 MET A 181 12.917 -7.513 -7.725 1.00 0.00 H new ATOM 0 HG3 MET A 181 11.870 -6.177 -7.290 1.00 0.00 H new ATOM 0 HE1 MET A 181 11.129 -4.803 -10.598 1.00 0.00 H new ATOM 0 HE2 MET A 181 10.546 -5.925 -9.346 1.00 0.00 H new ATOM 0 HE3 MET A 181 11.145 -4.314 -8.887 1.00 0.00 H new ATOM 775 N ILE A 182 13.121 -4.389 -4.094 1.00 0.00 N ATOM 776 CA ILE A 182 13.402 -4.221 -2.678 1.00 0.00 C ATOM 777 C ILE A 182 12.622 -5.268 -1.881 1.00 0.00 C ATOM 778 O ILE A 182 11.474 -5.571 -2.202 1.00 0.00 O ATOM 779 CB ILE A 182 13.119 -2.782 -2.242 1.00 0.00 C ATOM 780 CG1 ILE A 182 13.884 -2.437 -0.964 1.00 0.00 C ATOM 781 CG2 ILE A 182 11.615 -2.538 -2.096 1.00 0.00 C ATOM 782 CD1 ILE A 182 13.857 -0.930 -0.698 1.00 0.00 C ATOM 0 H ILE A 182 12.166 -4.676 -4.308 1.00 0.00 H new ATOM 0 HA ILE A 182 14.460 -4.388 -2.477 1.00 0.00 H new ATOM 0 HB ILE A 182 13.478 -2.111 -3.023 1.00 0.00 H new ATOM 0 HG12 ILE A 182 13.445 -2.967 -0.119 1.00 0.00 H new ATOM 0 HG13 ILE A 182 14.916 -2.776 -1.051 1.00 0.00 H new ATOM 0 HG21 ILE A 182 11.442 -1.508 -1.785 1.00 0.00 H new ATOM 0 HG22 ILE A 182 11.123 -2.716 -3.052 1.00 0.00 H new ATOM 0 HG23 ILE A 182 11.207 -3.216 -1.346 1.00 0.00 H new ATOM 0 HD11 ILE A 182 14.408 -0.712 0.217 1.00 0.00 H new ATOM 0 HD12 ILE A 182 14.319 -0.405 -1.534 1.00 0.00 H new ATOM 0 HD13 ILE A 182 12.825 -0.599 -0.587 1.00 0.00 H new ATOM 794 N PRO A 183 13.295 -5.810 -0.831 1.00 0.00 N ATOM 795 CA PRO A 183 12.679 -6.817 0.015 1.00 0.00 C ATOM 796 C PRO A 183 11.648 -6.188 0.954 1.00 0.00 C ATOM 797 O PRO A 183 11.877 -5.110 1.501 1.00 0.00 O ATOM 798 CB PRO A 183 13.835 -7.471 0.754 1.00 0.00 C ATOM 799 CG PRO A 183 15.000 -6.502 0.647 1.00 0.00 C ATOM 800 CD PRO A 183 14.657 -5.477 -0.421 1.00 0.00 C ATOM 0 HA PRO A 183 12.118 -7.558 -0.554 1.00 0.00 H new ATOM 0 HB2 PRO A 183 13.577 -7.657 1.796 1.00 0.00 H new ATOM 0 HB3 PRO A 183 14.087 -8.435 0.311 1.00 0.00 H new ATOM 0 HG2 PRO A 183 15.177 -6.011 1.604 1.00 0.00 H new ATOM 0 HG3 PRO A 183 15.916 -7.033 0.386 1.00 0.00 H new ATOM 0 HD2 PRO A 183 14.715 -4.462 -0.029 1.00 0.00 H new ATOM 0 HD3 PRO A 183 15.349 -5.534 -1.261 1.00 0.00 H new ATOM 808 N VAL A 184 10.534 -6.889 1.113 1.00 0.00 N ATOM 809 CA VAL A 184 9.467 -6.413 1.977 1.00 0.00 C ATOM 810 C VAL A 184 9.795 -6.768 3.428 1.00 0.00 C ATOM 811 O VAL A 184 9.425 -6.041 4.349 1.00 0.00 O ATOM 812 CB VAL A 184 8.124 -6.978 1.511 1.00 0.00 C ATOM 813 CG1 VAL A 184 7.119 -7.025 2.664 1.00 0.00 C ATOM 814 CG2 VAL A 184 7.571 -6.176 0.332 1.00 0.00 C ATOM 0 H VAL A 184 10.348 -7.783 0.658 1.00 0.00 H new ATOM 0 HA VAL A 184 9.384 -5.328 1.919 1.00 0.00 H new ATOM 0 HB VAL A 184 8.290 -8.000 1.171 1.00 0.00 H new ATOM 0 HG11 VAL A 184 6.173 -7.431 2.306 1.00 0.00 H new ATOM 0 HG12 VAL A 184 7.508 -7.660 3.460 1.00 0.00 H new ATOM 0 HG13 VAL A 184 6.959 -6.018 3.049 1.00 0.00 H new ATOM 0 HG21 VAL A 184 6.616 -6.599 0.020 1.00 0.00 H new ATOM 0 HG22 VAL A 184 7.428 -5.138 0.633 1.00 0.00 H new ATOM 0 HG23 VAL A 184 8.275 -6.219 -0.499 1.00 0.00 H new ATOM 824 N PRO A 185 10.503 -7.918 3.593 1.00 0.00 N ATOM 825 CA PRO A 185 10.884 -8.379 4.916 1.00 0.00 C ATOM 826 C PRO A 185 12.040 -7.546 5.476 1.00 0.00 C ATOM 827 O PRO A 185 12.191 -7.424 6.690 1.00 0.00 O ATOM 828 CB PRO A 185 11.243 -9.845 4.734 1.00 0.00 C ATOM 829 CG PRO A 185 11.496 -10.031 3.246 1.00 0.00 C ATOM 830 CD PRO A 185 10.958 -8.805 2.526 1.00 0.00 C ATOM 0 HA PRO A 185 10.083 -8.266 5.647 1.00 0.00 H new ATOM 0 HB2 PRO A 185 12.127 -10.106 5.316 1.00 0.00 H new ATOM 0 HB3 PRO A 185 10.434 -10.491 5.076 1.00 0.00 H new ATOM 0 HG2 PRO A 185 12.562 -10.151 3.052 1.00 0.00 H new ATOM 0 HG3 PRO A 185 11.003 -10.933 2.885 1.00 0.00 H new ATOM 0 HD2 PRO A 185 11.730 -8.331 1.920 1.00 0.00 H new ATOM 0 HD3 PRO A 185 10.141 -9.067 1.854 1.00 0.00 H new ATOM 838 N TYR A 186 12.826 -6.996 4.562 1.00 0.00 N ATOM 839 CA TYR A 186 13.964 -6.179 4.949 1.00 0.00 C ATOM 840 C TYR A 186 13.574 -4.702 5.032 1.00 0.00 C ATOM 841 O TYR A 186 14.416 -3.848 5.309 1.00 0.00 O ATOM 842 CB TYR A 186 15.007 -6.357 3.844 1.00 0.00 C ATOM 843 CG TYR A 186 16.270 -7.093 4.292 1.00 0.00 C ATOM 844 CD1 TYR A 186 16.172 -8.340 4.876 1.00 0.00 C ATOM 845 CD2 TYR A 186 17.508 -6.510 4.115 1.00 0.00 C ATOM 846 CE1 TYR A 186 17.361 -9.033 5.298 1.00 0.00 C ATOM 847 CE2 TYR A 186 18.698 -7.203 4.537 1.00 0.00 C ATOM 848 CZ TYR A 186 18.565 -8.430 5.108 1.00 0.00 C ATOM 849 OH TYR A 186 19.688 -9.085 5.507 1.00 0.00 O ATOM 0 H TYR A 186 12.698 -7.100 3.555 1.00 0.00 H new ATOM 0 HA TYR A 186 14.337 -6.480 5.928 1.00 0.00 H new ATOM 0 HB2 TYR A 186 14.555 -6.904 3.017 1.00 0.00 H new ATOM 0 HB3 TYR A 186 15.287 -5.375 3.462 1.00 0.00 H new ATOM 0 HD1 TYR A 186 15.203 -8.796 5.016 1.00 0.00 H new ATOM 0 HD2 TYR A 186 17.585 -5.534 3.660 1.00 0.00 H new ATOM 0 HE1 TYR A 186 17.298 -10.010 5.755 1.00 0.00 H new ATOM 0 HE2 TYR A 186 19.673 -6.759 4.403 1.00 0.00 H new ATOM 0 HH TYR A 186 19.829 -8.938 6.466 1.00 0.00 H new ATOM 859 N VAL A 187 12.297 -4.445 4.790 1.00 0.00 N ATOM 860 CA VAL A 187 11.785 -3.086 4.835 1.00 0.00 C ATOM 861 C VAL A 187 10.340 -3.105 5.338 1.00 0.00 C ATOM 862 O VAL A 187 9.828 -4.155 5.724 1.00 0.00 O ATOM 863 CB VAL A 187 11.932 -2.426 3.463 1.00 0.00 C ATOM 864 CG1 VAL A 187 13.241 -2.844 2.790 1.00 0.00 C ATOM 865 CG2 VAL A 187 10.730 -2.744 2.570 1.00 0.00 C ATOM 0 H VAL A 187 11.601 -5.155 4.562 1.00 0.00 H new ATOM 0 HA VAL A 187 12.364 -2.483 5.535 1.00 0.00 H new ATOM 0 HB VAL A 187 11.963 -1.347 3.612 1.00 0.00 H new ATOM 0 HG11 VAL A 187 13.320 -2.361 1.816 1.00 0.00 H new ATOM 0 HG12 VAL A 187 14.083 -2.544 3.414 1.00 0.00 H new ATOM 0 HG13 VAL A 187 13.254 -3.926 2.660 1.00 0.00 H new ATOM 0 HG21 VAL A 187 10.860 -2.263 1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 187 10.654 -3.823 2.433 1.00 0.00 H new ATOM 0 HG23 VAL A 187 9.819 -2.373 3.040 1.00 0.00 H new ATOM 875 N GLU A 188 9.723 -1.933 5.316 1.00 0.00 N ATOM 876 CA GLU A 188 8.348 -1.802 5.764 1.00 0.00 C ATOM 877 C GLU A 188 7.541 -0.969 4.768 1.00 0.00 C ATOM 878 O GLU A 188 8.025 -0.654 3.681 1.00 0.00 O ATOM 879 CB GLU A 188 8.283 -1.193 7.167 1.00 0.00 C ATOM 880 CG GLU A 188 9.532 -1.550 7.977 1.00 0.00 C ATOM 881 CD GLU A 188 9.285 -1.361 9.475 1.00 0.00 C ATOM 882 OE1 GLU A 188 8.943 -0.220 9.854 1.00 0.00 O ATOM 883 OE2 GLU A 188 9.444 -2.362 10.207 1.00 0.00 O ATOM 0 H GLU A 188 10.151 -1.065 4.994 1.00 0.00 H new ATOM 0 HA GLU A 188 7.908 -2.798 5.815 1.00 0.00 H new ATOM 0 HB2 GLU A 188 8.190 -0.109 7.093 1.00 0.00 H new ATOM 0 HB3 GLU A 188 7.394 -1.555 7.684 1.00 0.00 H new ATOM 0 HG2 GLU A 188 9.815 -2.584 7.779 1.00 0.00 H new ATOM 0 HG3 GLU A 188 10.367 -0.924 7.660 1.00 0.00 H new ATOM 890 N LYS A 189 6.324 -0.633 5.172 1.00 0.00 N ATOM 891 CA LYS A 189 5.446 0.158 4.328 1.00 0.00 C ATOM 892 C LYS A 189 5.462 1.611 4.803 1.00 0.00 C ATOM 893 O LYS A 189 5.967 1.908 5.884 1.00 0.00 O ATOM 894 CB LYS A 189 4.046 -0.460 4.282 1.00 0.00 C ATOM 895 CG LYS A 189 3.463 -0.394 2.869 1.00 0.00 C ATOM 896 CD LYS A 189 3.959 -1.564 2.017 1.00 0.00 C ATOM 897 CE LYS A 189 3.025 -1.813 0.830 1.00 0.00 C ATOM 898 NZ LYS A 189 3.727 -1.547 -0.445 1.00 0.00 N ATOM 0 H LYS A 189 5.926 -0.895 6.074 1.00 0.00 H new ATOM 0 HA LYS A 189 5.804 0.155 3.298 1.00 0.00 H new ATOM 0 HB2 LYS A 189 4.092 -1.498 4.612 1.00 0.00 H new ATOM 0 HB3 LYS A 189 3.389 0.066 4.975 1.00 0.00 H new ATOM 0 HG2 LYS A 189 2.374 -0.412 2.920 1.00 0.00 H new ATOM 0 HG3 LYS A 189 3.745 0.548 2.399 1.00 0.00 H new ATOM 0 HD2 LYS A 189 4.965 -1.354 1.655 1.00 0.00 H new ATOM 0 HD3 LYS A 189 4.022 -2.463 2.629 1.00 0.00 H new ATOM 0 HE2 LYS A 189 2.670 -2.843 0.849 1.00 0.00 H new ATOM 0 HE3 LYS A 189 2.147 -1.172 0.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 3.029 -1.353 -1.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 4.352 -0.723 -0.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 4.294 -2.378 -0.709 1.00 0.00 H new ATOM 912 N TYR A 190 4.901 2.479 3.973 1.00 0.00 N ATOM 913 CA TYR A 190 4.844 3.894 4.295 1.00 0.00 C ATOM 914 C TYR A 190 6.168 4.586 3.963 1.00 0.00 C ATOM 915 O TYR A 190 6.178 5.725 3.496 1.00 0.00 O ATOM 916 CB TYR A 190 4.607 3.974 5.805 1.00 0.00 C ATOM 917 CG TYR A 190 3.821 5.210 6.247 1.00 0.00 C ATOM 918 CD1 TYR A 190 4.353 6.469 6.060 1.00 0.00 C ATOM 919 CD2 TYR A 190 2.579 5.065 6.831 1.00 0.00 C ATOM 920 CE1 TYR A 190 3.614 7.632 6.476 1.00 0.00 C ATOM 921 CE2 TYR A 190 1.840 6.228 7.247 1.00 0.00 C ATOM 922 CZ TYR A 190 2.393 7.454 7.049 1.00 0.00 C ATOM 923 OH TYR A 190 1.694 8.553 7.443 1.00 0.00 O ATOM 0 H TYR A 190 4.482 2.229 3.077 1.00 0.00 H new ATOM 0 HA TYR A 190 4.059 4.386 3.721 1.00 0.00 H new ATOM 0 HB2 TYR A 190 4.071 3.081 6.126 1.00 0.00 H new ATOM 0 HB3 TYR A 190 5.571 3.967 6.314 1.00 0.00 H new ATOM 0 HD1 TYR A 190 5.324 6.582 5.601 1.00 0.00 H new ATOM 0 HD2 TYR A 190 2.162 4.079 6.976 1.00 0.00 H new ATOM 0 HE1 TYR A 190 4.019 8.623 6.336 1.00 0.00 H new ATOM 0 HE2 TYR A 190 0.868 6.129 7.706 1.00 0.00 H new ATOM 0 HH TYR A 190 0.840 8.274 7.834 1.00 0.00 H new ATOM 933 N GLY A 191 7.253 3.869 4.215 1.00 0.00 N ATOM 934 CA GLY A 191 8.579 4.399 3.948 1.00 0.00 C ATOM 935 C GLY A 191 8.819 5.695 4.727 1.00 0.00 C ATOM 936 O GLY A 191 8.009 6.618 4.668 1.00 0.00 O ATOM 0 H GLY A 191 7.241 2.925 4.601 1.00 0.00 H new ATOM 0 HA2 GLY A 191 9.332 3.660 4.223 1.00 0.00 H new ATOM 0 HA3 GLY A 191 8.691 4.586 2.880 1.00 0.00 H new TER 940 GLY A 191