USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 580 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 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 122 GLN : amide:sc= -1.26 K(o=-1.3,f=-2.3) USER MOD Single : A 93 SER OG : rot -26:sc= 0.56 USER MOD Single : A 98 SER OG : rot -48:sc= 0.662 USER MOD Single : A 103 MET CE :methyl 148:sc=-0.00229 (180deg=-0.084) USER MOD Single : A 106 LYS NZ :NH3+ -160:sc= -0.0155 (180deg=-0.169) USER MOD Single : A 107 ASN : amide:sc= -0.13 K(o=-0.13,f=-2.1!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 MET CE :methyl -125:sc= -2.04 (180deg=-3.86!) USER MOD Single : A 124 THR OG1 : rot 42:sc= -3.97! USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot -80:sc= 0.805 USER MOD Single : A 137 MET CE :methyl -166:sc= -0.993 (180deg=-1.39) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= -0.0315 K(o=-0.032,f=-0.83) USER MOD Single : A 144 ASN : amide:sc= -0.416 K(o=-0.42,f=-1.6) USER MOD Single : A 150 TYR OH : rot 180:sc= -1.24 USER MOD Single : A 157 MET CE :methyl 160:sc= -0.142 (180deg=-0.494) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 71 N SER A 93 3.621 15.025 -0.778 1.00 0.00 N ATOM 72 CA SER A 93 4.198 13.708 -0.533 1.00 0.00 C ATOM 73 C SER A 93 3.368 12.932 0.484 1.00 0.00 C ATOM 74 O SER A 93 2.851 11.855 0.186 1.00 0.00 O ATOM 75 CB SER A 93 5.638 13.844 -0.036 1.00 0.00 C ATOM 76 OG SER A 93 5.818 15.050 0.686 1.00 0.00 O ATOM 0 HA SER A 93 4.196 13.157 -1.473 1.00 0.00 H new ATOM 0 HB2 SER A 93 5.888 12.995 0.600 1.00 0.00 H new ATOM 0 HB3 SER A 93 6.322 13.819 -0.884 1.00 0.00 H new ATOM 0 HG SER A 93 5.167 15.715 0.379 1.00 0.00 H new ATOM 82 N GLU A 94 3.243 13.486 1.685 1.00 0.00 N ATOM 83 CA GLU A 94 2.474 12.846 2.747 1.00 0.00 C ATOM 84 C GLU A 94 0.977 12.962 2.480 1.00 0.00 C ATOM 85 O GLU A 94 0.197 12.097 2.877 1.00 0.00 O ATOM 86 CB GLU A 94 2.813 13.474 4.100 1.00 0.00 C ATOM 87 CG GLU A 94 2.342 12.650 5.287 1.00 0.00 C ATOM 88 CD GLU A 94 2.885 13.164 6.606 1.00 0.00 C ATOM 89 OE1 GLU A 94 2.420 14.229 7.065 1.00 0.00 O ATOM 90 OE2 GLU A 94 3.776 12.502 7.180 1.00 0.00 O ATOM 0 H GLU A 94 3.664 14.377 1.948 1.00 0.00 H new ATOM 0 HA GLU A 94 2.740 11.789 2.768 1.00 0.00 H new ATOM 0 HB2 GLU A 94 3.892 13.610 4.168 1.00 0.00 H new ATOM 0 HB3 GLU A 94 2.363 14.465 4.154 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.253 12.657 5.320 1.00 0.00 H new ATOM 0 HG3 GLU A 94 2.651 11.614 5.150 1.00 0.00 H new ATOM 97 N GLU A 95 0.582 14.037 1.805 1.00 0.00 N ATOM 98 CA GLU A 95 -0.822 14.267 1.485 1.00 0.00 C ATOM 99 C GLU A 95 -1.372 13.164 0.582 1.00 0.00 C ATOM 100 O GLU A 95 -2.585 12.995 0.465 1.00 0.00 O ATOM 101 CB GLU A 95 -0.995 15.628 0.808 1.00 0.00 C ATOM 102 CG GLU A 95 -0.662 16.803 1.712 1.00 0.00 C ATOM 103 CD GLU A 95 -1.550 16.864 2.939 1.00 0.00 C ATOM 104 OE1 GLU A 95 -1.271 16.131 3.911 1.00 0.00 O ATOM 105 OE2 GLU A 95 -2.525 17.645 2.929 1.00 0.00 O ATOM 0 H GLU A 95 1.215 14.763 1.469 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.384 14.256 2.419 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.358 15.668 -0.076 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -2.025 15.725 0.464 1.00 0.00 H new ATOM 0 HG2 GLU A 95 0.380 16.732 2.025 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -0.763 17.730 1.148 1.00 0.00 H new ATOM 112 N GLU A 96 -0.476 12.417 -0.058 1.00 0.00 N ATOM 113 CA GLU A 96 -0.882 11.335 -0.948 1.00 0.00 C ATOM 114 C GLU A 96 -1.324 10.111 -0.153 1.00 0.00 C ATOM 115 O GLU A 96 -2.404 9.568 -0.383 1.00 0.00 O ATOM 116 CB GLU A 96 0.267 10.961 -1.887 1.00 0.00 C ATOM 117 CG GLU A 96 0.909 12.158 -2.569 1.00 0.00 C ATOM 118 CD GLU A 96 1.990 11.757 -3.554 1.00 0.00 C ATOM 119 OE1 GLU A 96 2.876 10.965 -3.172 1.00 0.00 O ATOM 120 OE2 GLU A 96 1.949 12.235 -4.707 1.00 0.00 O ATOM 0 H GLU A 96 0.533 12.541 0.023 1.00 0.00 H new ATOM 0 HA GLU A 96 -1.728 11.684 -1.540 1.00 0.00 H new ATOM 0 HB2 GLU A 96 1.028 10.425 -1.321 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -0.105 10.276 -2.649 1.00 0.00 H new ATOM 0 HG2 GLU A 96 0.141 12.729 -3.091 1.00 0.00 H new ATOM 0 HG3 GLU A 96 1.337 12.816 -1.813 1.00 0.00 H new ATOM 127 N LEU A 97 -0.483 9.680 0.782 1.00 0.00 N ATOM 128 CA LEU A 97 -0.793 8.518 1.607 1.00 0.00 C ATOM 129 C LEU A 97 -2.071 8.746 2.410 1.00 0.00 C ATOM 130 O LEU A 97 -2.846 7.818 2.637 1.00 0.00 O ATOM 131 CB LEU A 97 0.366 8.209 2.557 1.00 0.00 C ATOM 132 CG LEU A 97 1.633 7.677 1.883 1.00 0.00 C ATOM 133 CD1 LEU A 97 2.872 8.144 2.634 1.00 0.00 C ATOM 134 CD2 LEU A 97 1.592 6.157 1.798 1.00 0.00 C ATOM 0 H LEU A 97 0.416 10.117 0.987 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.945 7.667 0.943 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.618 9.117 3.105 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.029 7.477 3.291 1.00 0.00 H new ATOM 0 HG LEU A 97 1.680 8.074 0.869 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.764 7.757 2.141 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.905 9.233 2.640 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.836 7.777 3.660 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.500 5.795 1.316 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.522 5.738 2.802 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.724 5.848 1.215 1.00 0.00 H new ATOM 146 N SER A 98 -2.286 9.987 2.840 1.00 0.00 N ATOM 147 CA SER A 98 -3.471 10.332 3.621 1.00 0.00 C ATOM 148 C SER A 98 -4.737 9.780 2.970 1.00 0.00 C ATOM 149 O SER A 98 -5.329 8.819 3.460 1.00 0.00 O ATOM 150 CB SER A 98 -3.582 11.850 3.782 1.00 0.00 C ATOM 151 OG SER A 98 -3.823 12.482 2.537 1.00 0.00 O ATOM 0 H SER A 98 -1.656 10.769 2.661 1.00 0.00 H new ATOM 0 HA SER A 98 -3.367 9.878 4.607 1.00 0.00 H new ATOM 0 HB2 SER A 98 -4.389 12.087 4.475 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.663 12.240 4.219 1.00 0.00 H new ATOM 0 HG SER A 98 -3.191 12.142 1.870 1.00 0.00 H new ATOM 157 N ASP A 99 -5.140 10.386 1.858 1.00 0.00 N ATOM 158 CA ASP A 99 -6.329 9.944 1.138 1.00 0.00 C ATOM 159 C ASP A 99 -6.191 8.485 0.711 1.00 0.00 C ATOM 160 O ASP A 99 -7.184 7.801 0.466 1.00 0.00 O ATOM 161 CB ASP A 99 -6.563 10.827 -0.089 1.00 0.00 C ATOM 162 CG ASP A 99 -7.831 10.459 -0.834 1.00 0.00 C ATOM 163 OD1 ASP A 99 -7.854 9.387 -1.474 1.00 0.00 O ATOM 164 OD2 ASP A 99 -8.802 11.243 -0.777 1.00 0.00 O ATOM 0 H ASP A 99 -4.662 11.183 1.437 1.00 0.00 H new ATOM 0 HA ASP A 99 -7.185 10.030 1.807 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -6.618 11.870 0.223 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -5.711 10.740 -0.763 1.00 0.00 H new ATOM 169 N LEU A 100 -4.948 8.017 0.623 1.00 0.00 N ATOM 170 CA LEU A 100 -4.667 6.644 0.226 1.00 0.00 C ATOM 171 C LEU A 100 -5.207 5.651 1.254 1.00 0.00 C ATOM 172 O LEU A 100 -5.980 4.755 0.916 1.00 0.00 O ATOM 173 CB LEU A 100 -3.157 6.454 0.052 1.00 0.00 C ATOM 174 CG LEU A 100 -2.675 6.279 -1.391 1.00 0.00 C ATOM 175 CD1 LEU A 100 -3.375 7.260 -2.320 1.00 0.00 C ATOM 176 CD2 LEU A 100 -1.165 6.455 -1.471 1.00 0.00 C ATOM 0 H LEU A 100 -4.117 8.574 0.823 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.168 6.452 -0.723 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -2.648 7.316 0.484 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.850 5.581 0.627 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.926 5.269 -1.714 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.016 7.116 -3.339 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.451 7.088 -2.287 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.161 8.280 -2.001 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.838 6.328 -2.503 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.896 7.453 -1.126 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.678 5.710 -0.842 1.00 0.00 H new ATOM 188 N PHE A 101 -4.792 5.813 2.509 1.00 0.00 N ATOM 189 CA PHE A 101 -5.236 4.924 3.580 1.00 0.00 C ATOM 190 C PHE A 101 -6.758 4.905 3.680 1.00 0.00 C ATOM 191 O PHE A 101 -7.352 3.897 4.066 1.00 0.00 O ATOM 192 CB PHE A 101 -4.632 5.352 4.921 1.00 0.00 C ATOM 193 CG PHE A 101 -4.831 4.338 6.015 1.00 0.00 C ATOM 194 CD1 PHE A 101 -6.008 4.312 6.746 1.00 0.00 C ATOM 195 CD2 PHE A 101 -3.843 3.411 6.310 1.00 0.00 C ATOM 196 CE1 PHE A 101 -6.195 3.380 7.750 1.00 0.00 C ATOM 197 CE2 PHE A 101 -4.025 2.477 7.312 1.00 0.00 C ATOM 198 CZ PHE A 101 -5.203 2.462 8.033 1.00 0.00 C ATOM 0 H PHE A 101 -4.152 6.548 2.808 1.00 0.00 H new ATOM 0 HA PHE A 101 -4.892 3.918 3.341 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -3.565 5.530 4.790 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -5.078 6.298 5.227 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -6.788 5.027 6.529 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -2.920 3.419 5.750 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -7.117 3.370 8.313 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -3.248 1.760 7.531 1.00 0.00 H new ATOM 0 HZ PHE A 101 -5.348 1.733 8.817 1.00 0.00 H new ATOM 208 N ARG A 102 -7.384 6.024 3.332 1.00 0.00 N ATOM 209 CA ARG A 102 -8.837 6.134 3.383 1.00 0.00 C ATOM 210 C ARG A 102 -9.494 5.182 2.386 1.00 0.00 C ATOM 211 O ARG A 102 -10.626 4.742 2.587 1.00 0.00 O ATOM 212 CB ARG A 102 -9.270 7.574 3.097 1.00 0.00 C ATOM 213 CG ARG A 102 -9.878 8.276 4.300 1.00 0.00 C ATOM 214 CD ARG A 102 -8.808 8.884 5.193 1.00 0.00 C ATOM 215 NE ARG A 102 -8.641 8.134 6.436 1.00 0.00 N ATOM 216 CZ ARG A 102 -8.050 8.623 7.524 1.00 0.00 C ATOM 217 NH1 ARG A 102 -7.569 9.860 7.527 1.00 0.00 N ATOM 218 NH2 ARG A 102 -7.941 7.873 8.612 1.00 0.00 N ATOM 0 H ARG A 102 -6.908 6.867 3.012 1.00 0.00 H new ATOM 0 HA ARG A 102 -9.162 5.857 4.386 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -8.406 8.143 2.753 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -9.995 7.572 2.283 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -10.557 9.058 3.961 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -10.472 7.565 4.875 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -7.860 8.911 4.656 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -9.073 9.916 5.425 1.00 0.00 H new ATOM 0 HE ARG A 102 -8.998 7.179 6.472 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -7.651 10.441 6.693 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -7.117 10.229 8.364 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -8.310 6.922 8.615 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -7.488 8.247 9.446 1.00 0.00 H new ATOM 232 N MET A 103 -8.778 4.871 1.310 1.00 0.00 N ATOM 233 CA MET A 103 -9.294 3.974 0.282 1.00 0.00 C ATOM 234 C MET A 103 -8.889 2.530 0.559 1.00 0.00 C ATOM 235 O MET A 103 -9.672 1.604 0.346 1.00 0.00 O ATOM 236 CB MET A 103 -8.789 4.402 -1.097 1.00 0.00 C ATOM 237 CG MET A 103 -9.091 5.853 -1.433 1.00 0.00 C ATOM 238 SD MET A 103 -8.901 6.214 -3.189 1.00 0.00 S ATOM 239 CE MET A 103 -7.147 6.567 -3.275 1.00 0.00 C ATOM 0 H MET A 103 -7.840 5.227 1.127 1.00 0.00 H new ATOM 0 HA MET A 103 -10.382 4.034 0.299 1.00 0.00 H new ATOM 0 HB2 MET A 103 -7.712 4.243 -1.145 1.00 0.00 H new ATOM 0 HB3 MET A 103 -9.240 3.761 -1.855 1.00 0.00 H new ATOM 0 HG2 MET A 103 -10.110 6.088 -1.126 1.00 0.00 H new ATOM 0 HG3 MET A 103 -8.428 6.500 -0.859 1.00 0.00 H new ATOM 0 HE1 MET A 103 -6.761 6.257 -4.246 1.00 0.00 H new ATOM 0 HE2 MET A 103 -6.984 7.637 -3.144 1.00 0.00 H new ATOM 0 HE3 MET A 103 -6.627 6.022 -2.487 1.00 0.00 H new ATOM 249 N PHE A 104 -7.660 2.343 1.031 1.00 0.00 N ATOM 250 CA PHE A 104 -7.153 1.009 1.333 1.00 0.00 C ATOM 251 C PHE A 104 -7.830 0.435 2.573 1.00 0.00 C ATOM 252 O PHE A 104 -8.219 -0.733 2.595 1.00 0.00 O ATOM 253 CB PHE A 104 -5.638 1.049 1.538 1.00 0.00 C ATOM 254 CG PHE A 104 -4.932 -0.174 1.024 1.00 0.00 C ATOM 255 CD1 PHE A 104 -5.169 -1.416 1.591 1.00 0.00 C ATOM 256 CD2 PHE A 104 -4.032 -0.081 -0.026 1.00 0.00 C ATOM 257 CE1 PHE A 104 -4.522 -2.542 1.121 1.00 0.00 C ATOM 258 CE2 PHE A 104 -3.382 -1.204 -0.500 1.00 0.00 C ATOM 259 CZ PHE A 104 -3.627 -2.436 0.074 1.00 0.00 C ATOM 0 H PHE A 104 -6.998 3.097 1.212 1.00 0.00 H new ATOM 0 HA PHE A 104 -7.381 0.363 0.485 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -5.235 1.929 1.037 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -5.426 1.162 2.601 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -5.868 -1.504 2.410 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -3.837 0.880 -0.479 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -4.716 -3.504 1.571 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -2.683 -1.119 -1.319 1.00 0.00 H new ATOM 0 HZ PHE A 104 -3.120 -3.315 -0.295 1.00 0.00 H new ATOM 269 N ASP A 105 -7.967 1.262 3.604 1.00 0.00 N ATOM 270 CA ASP A 105 -8.596 0.833 4.848 1.00 0.00 C ATOM 271 C ASP A 105 -10.107 0.699 4.677 1.00 0.00 C ATOM 272 O ASP A 105 -10.881 1.417 5.310 1.00 0.00 O ATOM 273 CB ASP A 105 -8.281 1.823 5.971 1.00 0.00 C ATOM 274 CG ASP A 105 -8.357 1.184 7.344 1.00 0.00 C ATOM 275 OD1 ASP A 105 -7.987 -0.003 7.468 1.00 0.00 O ATOM 276 OD2 ASP A 105 -8.788 1.869 8.295 1.00 0.00 O ATOM 0 H ASP A 105 -7.651 2.232 3.603 1.00 0.00 H new ATOM 0 HA ASP A 105 -8.192 -0.144 5.112 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -7.283 2.234 5.820 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -8.980 2.658 5.923 1.00 0.00 H new ATOM 281 N LYS A 106 -10.519 -0.228 3.818 1.00 0.00 N ATOM 282 CA LYS A 106 -11.937 -0.459 3.564 1.00 0.00 C ATOM 283 C LYS A 106 -12.629 -1.042 4.794 1.00 0.00 C ATOM 284 O LYS A 106 -13.849 -0.953 4.930 1.00 0.00 O ATOM 285 CB LYS A 106 -12.116 -1.400 2.371 1.00 0.00 C ATOM 286 CG LYS A 106 -11.815 -0.747 1.031 1.00 0.00 C ATOM 287 CD LYS A 106 -10.541 -1.302 0.412 1.00 0.00 C ATOM 288 CE LYS A 106 -10.587 -1.239 -1.107 1.00 0.00 C ATOM 289 NZ LYS A 106 -11.544 -2.227 -1.676 1.00 0.00 N ATOM 0 H LYS A 106 -9.892 -0.831 3.286 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.397 0.502 3.335 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.464 -2.264 2.499 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.141 -1.772 2.363 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -12.651 -0.909 0.351 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -11.716 0.330 1.164 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -9.683 -0.737 0.775 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -10.400 -2.335 0.730 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -10.873 -0.235 -1.420 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -9.591 -1.426 -1.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -11.313 -2.398 -2.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -11.476 -3.120 -1.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -12.512 -1.854 -1.603 1.00 0.00 H new ATOM 303 N ASN A 107 -11.844 -1.637 5.688 1.00 0.00 N ATOM 304 CA ASN A 107 -12.386 -2.230 6.905 1.00 0.00 C ATOM 305 C ASN A 107 -12.915 -1.152 7.844 1.00 0.00 C ATOM 306 O ASN A 107 -13.824 -1.397 8.637 1.00 0.00 O ATOM 307 CB ASN A 107 -11.315 -3.061 7.613 1.00 0.00 C ATOM 308 CG ASN A 107 -11.908 -4.182 8.444 1.00 0.00 C ATOM 309 OD1 ASN A 107 -13.072 -4.546 8.276 1.00 0.00 O ATOM 310 ND2 ASN A 107 -11.108 -4.736 9.347 1.00 0.00 N ATOM 0 H ASN A 107 -10.832 -1.721 5.592 1.00 0.00 H new ATOM 0 HA ASN A 107 -13.214 -2.882 6.626 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -10.637 -3.482 6.871 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -10.721 -2.411 8.256 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -11.452 -5.495 9.935 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -10.150 -4.403 9.452 1.00 0.00 H new ATOM 317 N ALA A 108 -12.339 0.042 7.749 1.00 0.00 N ATOM 318 CA ALA A 108 -12.750 1.160 8.588 1.00 0.00 C ATOM 319 C ALA A 108 -12.475 0.874 10.060 1.00 0.00 C ATOM 320 O ALA A 108 -13.396 0.818 10.876 1.00 0.00 O ATOM 321 CB ALA A 108 -14.225 1.470 8.371 1.00 0.00 C ATOM 0 H ALA A 108 -11.585 0.260 7.098 1.00 0.00 H new ATOM 0 HA ALA A 108 -12.162 2.032 8.301 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -14.518 2.307 9.004 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -14.392 1.730 7.326 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -14.822 0.595 8.627 1.00 0.00 H new ATOM 327 N ASP A 109 -11.202 0.693 10.394 1.00 0.00 N ATOM 328 CA ASP A 109 -10.804 0.413 11.769 1.00 0.00 C ATOM 329 C ASP A 109 -9.694 1.359 12.217 1.00 0.00 C ATOM 330 O ASP A 109 -9.725 1.885 13.329 1.00 0.00 O ATOM 331 CB ASP A 109 -10.337 -1.038 11.902 1.00 0.00 C ATOM 332 CG ASP A 109 -9.204 -1.370 10.951 1.00 0.00 C ATOM 333 OD1 ASP A 109 -9.317 -1.035 9.753 1.00 0.00 O ATOM 334 OD2 ASP A 109 -8.204 -1.965 11.404 1.00 0.00 O ATOM 0 H ASP A 109 -10.428 0.735 9.731 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.671 0.569 12.411 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -10.013 -1.220 12.927 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -11.177 -1.706 11.710 1.00 0.00 H new ATOM 339 N GLY A 110 -8.716 1.571 11.343 1.00 0.00 N ATOM 340 CA GLY A 110 -7.610 2.453 11.666 1.00 0.00 C ATOM 341 C GLY A 110 -6.284 1.928 11.153 1.00 0.00 C ATOM 342 O GLY A 110 -5.405 2.705 10.781 1.00 0.00 O ATOM 0 H GLY A 110 -8.670 1.148 10.416 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -7.798 3.438 11.239 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -7.554 2.580 12.747 1.00 0.00 H new ATOM 346 N TYR A 111 -6.143 0.606 11.132 1.00 0.00 N ATOM 347 CA TYR A 111 -4.916 -0.031 10.660 1.00 0.00 C ATOM 348 C TYR A 111 -5.237 -1.123 9.644 1.00 0.00 C ATOM 349 O TYR A 111 -6.394 -1.312 9.270 1.00 0.00 O ATOM 350 CB TYR A 111 -4.126 -0.628 11.835 1.00 0.00 C ATOM 351 CG TYR A 111 -4.889 -0.655 13.142 1.00 0.00 C ATOM 352 CD1 TYR A 111 -4.913 0.456 13.975 1.00 0.00 C ATOM 353 CD2 TYR A 111 -5.583 -1.790 13.541 1.00 0.00 C ATOM 354 CE1 TYR A 111 -5.608 0.438 15.168 1.00 0.00 C ATOM 355 CE2 TYR A 111 -6.281 -1.816 14.734 1.00 0.00 C ATOM 356 CZ TYR A 111 -6.290 -0.700 15.544 1.00 0.00 C ATOM 357 OH TYR A 111 -6.984 -0.721 16.732 1.00 0.00 O ATOM 0 H TYR A 111 -6.865 -0.047 11.437 1.00 0.00 H new ATOM 0 HA TYR A 111 -4.304 0.732 10.178 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -3.828 -1.645 11.579 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -3.210 -0.053 11.973 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -4.379 1.349 13.685 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -5.577 -2.666 12.909 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -5.617 1.311 15.804 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -6.817 -2.706 15.030 1.00 0.00 H new ATOM 0 HH TYR A 111 -7.409 -1.596 16.847 1.00 0.00 H new ATOM 367 N ILE A 112 -4.209 -1.843 9.199 1.00 0.00 N ATOM 368 CA ILE A 112 -4.401 -2.915 8.229 1.00 0.00 C ATOM 369 C ILE A 112 -4.025 -4.268 8.824 1.00 0.00 C ATOM 370 O ILE A 112 -3.035 -4.387 9.546 1.00 0.00 O ATOM 371 CB ILE A 112 -3.568 -2.678 6.955 1.00 0.00 C ATOM 372 CG1 ILE A 112 -3.762 -1.246 6.448 1.00 0.00 C ATOM 373 CG2 ILE A 112 -3.949 -3.685 5.879 1.00 0.00 C ATOM 374 CD1 ILE A 112 -3.058 -0.964 5.137 1.00 0.00 C ATOM 0 H ILE A 112 -3.242 -1.704 9.493 1.00 0.00 H new ATOM 0 HA ILE A 112 -5.459 -2.917 7.966 1.00 0.00 H new ATOM 0 HB ILE A 112 -2.514 -2.815 7.197 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -4.828 -1.054 6.326 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -3.397 -0.550 7.203 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -3.352 -3.505 4.985 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -3.762 -4.695 6.243 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -5.006 -3.577 5.637 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -3.241 0.069 4.841 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -1.986 -1.123 5.258 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -3.440 -1.635 4.367 1.00 0.00 H new ATOM 386 N ASP A 113 -4.824 -5.286 8.517 1.00 0.00 N ATOM 387 CA ASP A 113 -4.576 -6.631 9.024 1.00 0.00 C ATOM 388 C ASP A 113 -4.306 -7.604 7.881 1.00 0.00 C ATOM 389 O ASP A 113 -4.233 -7.208 6.718 1.00 0.00 O ATOM 390 CB ASP A 113 -5.771 -7.114 9.849 1.00 0.00 C ATOM 391 CG ASP A 113 -6.086 -6.187 11.007 1.00 0.00 C ATOM 392 OD1 ASP A 113 -6.594 -5.074 10.754 1.00 0.00 O ATOM 393 OD2 ASP A 113 -5.825 -6.574 12.165 1.00 0.00 O ATOM 0 H ASP A 113 -5.647 -5.205 7.920 1.00 0.00 H new ATOM 0 HA ASP A 113 -3.692 -6.595 9.661 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -6.646 -7.195 9.204 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -5.564 -8.113 10.233 1.00 0.00 H new ATOM 398 N LEU A 114 -4.156 -8.880 8.222 1.00 0.00 N ATOM 399 CA LEU A 114 -3.890 -9.914 7.228 1.00 0.00 C ATOM 400 C LEU A 114 -4.996 -9.964 6.179 1.00 0.00 C ATOM 401 O LEU A 114 -4.725 -10.040 4.980 1.00 0.00 O ATOM 402 CB LEU A 114 -3.753 -11.279 7.906 1.00 0.00 C ATOM 403 CG LEU A 114 -2.430 -11.509 8.638 1.00 0.00 C ATOM 404 CD1 LEU A 114 -2.325 -10.597 9.851 1.00 0.00 C ATOM 405 CD2 LEU A 114 -2.297 -12.966 9.052 1.00 0.00 C ATOM 0 H LEU A 114 -4.214 -9.223 9.181 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.954 -9.667 6.728 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -4.570 -11.398 8.618 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.873 -12.056 7.151 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.614 -11.269 7.957 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -1.377 -10.775 10.359 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -2.375 -9.557 9.529 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.148 -10.805 10.535 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -1.350 -13.112 9.571 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -3.120 -13.232 9.716 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -2.326 -13.600 8.166 1.00 0.00 H new ATOM 417 N GLU A 115 -6.243 -9.925 6.637 1.00 0.00 N ATOM 418 CA GLU A 115 -7.391 -9.968 5.737 1.00 0.00 C ATOM 419 C GLU A 115 -7.334 -8.835 4.716 1.00 0.00 C ATOM 420 O GLU A 115 -7.871 -8.953 3.615 1.00 0.00 O ATOM 421 CB GLU A 115 -8.694 -9.885 6.535 1.00 0.00 C ATOM 422 CG GLU A 115 -9.201 -11.250 6.958 1.00 0.00 C ATOM 423 OE1 GLU A 115 -9.916 -11.327 7.979 1.00 0.00 O ATOM 424 OE2 GLU A 115 -8.883 -12.241 6.268 1.00 0.00 O ATOM 0 H GLU A 115 -6.485 -9.864 7.626 1.00 0.00 H new ATOM 0 HA GLU A 115 -7.359 -10.915 5.199 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -8.536 -9.269 7.420 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -9.455 -9.389 5.933 1.00 0.00 H new ATOM 429 N GLU A 116 -6.681 -7.738 5.087 1.00 0.00 N ATOM 430 CA GLU A 116 -6.559 -6.588 4.200 1.00 0.00 C ATOM 431 C GLU A 116 -5.317 -6.705 3.321 1.00 0.00 C ATOM 432 O GLU A 116 -5.326 -6.297 2.160 1.00 0.00 O ATOM 433 CB GLU A 116 -6.507 -5.294 5.013 1.00 0.00 C ATOM 434 CG GLU A 116 -7.860 -4.621 5.173 1.00 0.00 C ATOM 435 CD GLU A 116 -7.997 -3.892 6.495 1.00 0.00 C ATOM 436 OE1 GLU A 116 -7.944 -4.560 7.549 1.00 0.00 O ATOM 437 OE2 GLU A 116 -8.157 -2.654 6.477 1.00 0.00 O ATOM 0 H GLU A 116 -6.229 -7.622 5.994 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.436 -6.566 3.553 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -6.100 -5.511 6.000 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -5.820 -4.599 4.531 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -8.009 -3.915 4.356 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.646 -5.371 5.093 1.00 0.00 H new ATOM 444 N LEU A 117 -4.250 -7.271 3.879 1.00 0.00 N ATOM 445 CA LEU A 117 -3.002 -7.446 3.140 1.00 0.00 C ATOM 446 C LEU A 117 -3.260 -8.075 1.773 1.00 0.00 C ATOM 447 O LEU A 117 -2.504 -7.864 0.826 1.00 0.00 O ATOM 448 CB LEU A 117 -2.031 -8.318 3.937 1.00 0.00 C ATOM 449 CG LEU A 117 -1.435 -7.654 5.178 1.00 0.00 C ATOM 450 CD1 LEU A 117 -0.770 -8.692 6.070 1.00 0.00 C ATOM 451 CD2 LEU A 117 -0.442 -6.574 4.778 1.00 0.00 C ATOM 0 H LEU A 117 -4.224 -7.616 4.839 1.00 0.00 H new ATOM 0 HA LEU A 117 -2.559 -6.462 2.990 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -2.550 -9.226 4.243 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -1.216 -8.622 3.280 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.242 -7.186 5.741 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -0.351 -8.202 6.949 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -1.509 -9.429 6.384 1.00 0.00 H new ATOM 0 HD13 LEU A 117 0.027 -9.189 5.518 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -0.027 -6.111 5.674 1.00 0.00 H new ATOM 0 HD22 LEU A 117 0.363 -7.019 4.193 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -0.949 -5.817 4.180 1.00 0.00 H new ATOM 463 N LYS A 118 -4.335 -8.849 1.683 1.00 0.00 N ATOM 464 CA LYS A 118 -4.703 -9.512 0.438 1.00 0.00 C ATOM 465 C LYS A 118 -5.066 -8.496 -0.640 1.00 0.00 C ATOM 466 O LYS A 118 -4.862 -8.739 -1.829 1.00 0.00 O ATOM 467 CB LYS A 118 -5.883 -10.452 0.680 1.00 0.00 C ATOM 468 CG LYS A 118 -6.323 -11.210 -0.561 1.00 0.00 C ATOM 469 CD LYS A 118 -7.783 -11.619 -0.472 1.00 0.00 C ATOM 470 CE LYS A 118 -8.695 -10.407 -0.371 1.00 0.00 C ATOM 471 NZ LYS A 118 -10.086 -10.720 -0.800 1.00 0.00 N ATOM 0 H LYS A 118 -4.969 -9.033 2.460 1.00 0.00 H new ATOM 0 HA LYS A 118 -3.843 -10.086 0.091 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -5.613 -11.168 1.456 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -6.725 -9.874 1.060 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -6.171 -10.587 -1.443 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -5.702 -12.097 -0.687 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -8.052 -12.206 -1.350 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -7.930 -12.260 0.397 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -8.705 -10.045 0.657 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -8.298 -9.601 -0.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -10.675 -9.867 -0.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -10.080 -11.041 -1.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -10.475 -11.471 -0.195 1.00 0.00 H new ATOM 485 N ILE A 119 -5.611 -7.360 -0.216 1.00 0.00 N ATOM 486 CA ILE A 119 -6.013 -6.304 -1.141 1.00 0.00 C ATOM 487 C ILE A 119 -4.925 -6.018 -2.178 1.00 0.00 C ATOM 488 O ILE A 119 -5.158 -6.144 -3.380 1.00 0.00 O ATOM 489 CB ILE A 119 -6.365 -5.006 -0.380 1.00 0.00 C ATOM 490 CG1 ILE A 119 -7.611 -5.226 0.479 1.00 0.00 C ATOM 491 CG2 ILE A 119 -6.586 -3.849 -1.345 1.00 0.00 C ATOM 492 CD1 ILE A 119 -7.552 -4.535 1.823 1.00 0.00 C ATOM 0 H ILE A 119 -5.785 -7.146 0.766 1.00 0.00 H new ATOM 0 HA ILE A 119 -6.900 -6.659 -1.665 1.00 0.00 H new ATOM 0 HB ILE A 119 -5.526 -4.749 0.267 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -8.485 -4.868 -0.066 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -7.749 -6.296 0.636 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -6.832 -2.948 -0.783 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -5.678 -3.679 -1.923 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -7.406 -4.090 -2.021 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -8.470 -4.736 2.376 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -6.698 -4.910 2.388 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -7.446 -3.460 1.675 1.00 0.00 H new ATOM 504 N MET A 120 -3.741 -5.637 -1.711 1.00 0.00 N ATOM 505 CA MET A 120 -2.631 -5.341 -2.611 1.00 0.00 C ATOM 506 C MET A 120 -2.279 -6.561 -3.458 1.00 0.00 C ATOM 507 O MET A 120 -1.810 -6.430 -4.588 1.00 0.00 O ATOM 508 CB MET A 120 -1.404 -4.882 -1.822 1.00 0.00 C ATOM 509 CG MET A 120 -1.051 -5.792 -0.657 1.00 0.00 C ATOM 510 SD MET A 120 -1.550 -5.108 0.935 1.00 0.00 S ATOM 511 CE MET A 120 -0.477 -3.678 1.040 1.00 0.00 C ATOM 0 H MET A 120 -3.525 -5.526 -0.720 1.00 0.00 H new ATOM 0 HA MET A 120 -2.944 -4.535 -3.275 1.00 0.00 H new ATOM 0 HB2 MET A 120 -0.550 -4.823 -2.497 1.00 0.00 H new ATOM 0 HB3 MET A 120 -1.582 -3.875 -1.444 1.00 0.00 H new ATOM 0 HG2 MET A 120 -1.531 -6.760 -0.799 1.00 0.00 H new ATOM 0 HG3 MET A 120 0.025 -5.968 -0.651 1.00 0.00 H new ATOM 0 HE1 MET A 120 0.092 -3.718 1.969 1.00 0.00 H new ATOM 0 HE2 MET A 120 0.210 -3.675 0.193 1.00 0.00 H new ATOM 0 HE3 MET A 120 -1.079 -2.769 1.022 1.00 0.00 H new ATOM 521 N LEU A 121 -2.511 -7.747 -2.904 1.00 0.00 N ATOM 522 CA LEU A 121 -2.222 -8.990 -3.610 1.00 0.00 C ATOM 523 C LEU A 121 -3.177 -9.181 -4.784 1.00 0.00 C ATOM 524 O LEU A 121 -2.822 -9.787 -5.794 1.00 0.00 O ATOM 525 CB LEU A 121 -2.322 -10.180 -2.653 1.00 0.00 C ATOM 526 CG LEU A 121 -1.159 -11.172 -2.727 1.00 0.00 C ATOM 527 CD1 LEU A 121 -1.089 -11.818 -4.103 1.00 0.00 C ATOM 528 CD2 LEU A 121 0.153 -10.479 -2.388 1.00 0.00 C ATOM 0 H LEU A 121 -2.898 -7.873 -1.969 1.00 0.00 H new ATOM 0 HA LEU A 121 -1.205 -8.932 -3.998 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -2.392 -9.801 -1.633 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -3.249 -10.715 -2.859 1.00 0.00 H new ATOM 0 HG LEU A 121 -1.331 -11.959 -1.993 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -0.255 -12.519 -4.134 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.019 -12.351 -4.303 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -0.943 -11.047 -4.860 1.00 0.00 H new ATOM 0 HD21 LEU A 121 0.970 -11.198 -2.445 1.00 0.00 H new ATOM 0 HD22 LEU A 121 0.331 -9.670 -3.097 1.00 0.00 H new ATOM 0 HD23 LEU A 121 0.099 -10.071 -1.379 1.00 0.00 H new ATOM 540 N GLN A 122 -4.392 -8.656 -4.646 1.00 0.00 N ATOM 541 CA GLN A 122 -5.394 -8.766 -5.702 1.00 0.00 C ATOM 542 C GLN A 122 -4.821 -8.306 -7.036 1.00 0.00 C ATOM 543 O GLN A 122 -5.215 -8.791 -8.097 1.00 0.00 O ATOM 544 CB GLN A 122 -6.626 -7.930 -5.355 1.00 0.00 C ATOM 545 CG GLN A 122 -7.287 -8.330 -4.047 1.00 0.00 C ATOM 546 CD GLN A 122 -8.351 -7.343 -3.607 1.00 0.00 C ATOM 547 OE1 GLN A 122 -8.295 -6.160 -3.943 1.00 0.00 O ATOM 548 NE2 GLN A 122 -9.329 -7.826 -2.849 1.00 0.00 N ATOM 0 H GLN A 122 -4.705 -8.152 -3.816 1.00 0.00 H new ATOM 0 HA GLN A 122 -5.685 -9.813 -5.786 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -6.338 -6.880 -5.300 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -7.354 -8.019 -6.162 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -7.736 -9.317 -4.158 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -6.527 -8.410 -3.270 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -9.336 -8.814 -2.594 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -10.073 -7.209 -2.522 1.00 0.00 H new ATOM 557 N ALA A 123 -3.886 -7.364 -6.971 1.00 0.00 N ATOM 558 CA ALA A 123 -3.253 -6.832 -8.167 1.00 0.00 C ATOM 559 C ALA A 123 -2.301 -7.849 -8.788 1.00 0.00 C ATOM 560 O ALA A 123 -2.039 -7.813 -9.990 1.00 0.00 O ATOM 561 CB ALA A 123 -2.511 -5.545 -7.840 1.00 0.00 C ATOM 0 H ALA A 123 -3.551 -6.954 -6.099 1.00 0.00 H new ATOM 0 HA ALA A 123 -4.035 -6.616 -8.895 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -2.041 -5.156 -8.743 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -3.214 -4.808 -7.451 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -1.745 -5.747 -7.091 1.00 0.00 H new ATOM 567 N THR A 124 -1.784 -8.757 -7.963 1.00 0.00 N ATOM 568 CA THR A 124 -0.861 -9.780 -8.439 1.00 0.00 C ATOM 569 C THR A 124 -1.617 -11.029 -8.881 1.00 0.00 C ATOM 570 O THR A 124 -1.427 -11.521 -9.993 1.00 0.00 O ATOM 571 CB THR A 124 0.147 -10.135 -7.345 1.00 0.00 C ATOM 572 OG1 THR A 124 -0.370 -9.821 -6.066 1.00 0.00 O ATOM 573 CG2 THR A 124 1.469 -9.414 -7.490 1.00 0.00 C ATOM 0 H THR A 124 -1.989 -8.804 -6.965 1.00 0.00 H new ATOM 0 HA THR A 124 -0.324 -9.381 -9.299 1.00 0.00 H new ATOM 0 HB THR A 124 0.320 -11.206 -7.452 1.00 0.00 H new ATOM 0 HG1 THR A 124 -1.313 -10.084 -6.021 1.00 0.00 H new ATOM 0 HG21 THR A 124 2.137 -9.712 -6.682 1.00 0.00 H new ATOM 0 HG22 THR A 124 1.921 -9.672 -8.448 1.00 0.00 H new ATOM 0 HG23 THR A 124 1.303 -8.338 -7.445 1.00 0.00 H new ATOM 581 N GLY A 125 -2.475 -11.536 -8.001 1.00 0.00 N ATOM 582 CA GLY A 125 -3.248 -12.722 -8.318 1.00 0.00 C ATOM 583 C GLY A 125 -2.376 -13.901 -8.705 1.00 0.00 C ATOM 584 O GLY A 125 -2.687 -14.629 -9.648 1.00 0.00 O ATOM 0 H GLY A 125 -2.648 -11.146 -7.074 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -3.859 -12.994 -7.457 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -3.932 -12.497 -9.136 1.00 0.00 H new ATOM 588 N GLU A 126 -1.281 -14.090 -7.975 1.00 0.00 N ATOM 589 CA GLU A 126 -0.361 -15.188 -8.246 1.00 0.00 C ATOM 590 C GLU A 126 -0.275 -16.133 -7.052 1.00 0.00 C ATOM 591 O GLU A 126 -0.960 -15.943 -6.047 1.00 0.00 O ATOM 592 CB GLU A 126 1.029 -14.644 -8.582 1.00 0.00 C ATOM 593 CG GLU A 126 1.169 -14.180 -10.023 1.00 0.00 C ATOM 594 CD GLU A 126 2.506 -13.518 -10.295 1.00 0.00 C ATOM 595 OE1 GLU A 126 3.004 -12.799 -9.404 1.00 0.00 O ATOM 596 OE2 GLU A 126 3.054 -13.720 -11.399 1.00 0.00 O ATOM 0 H GLU A 126 -1.010 -13.496 -7.191 1.00 0.00 H new ATOM 0 HA GLU A 126 -0.742 -15.746 -9.101 1.00 0.00 H new ATOM 0 HB2 GLU A 126 1.254 -13.810 -7.917 1.00 0.00 H new ATOM 0 HB3 GLU A 126 1.770 -15.418 -8.385 1.00 0.00 H new ATOM 0 HG2 GLU A 126 1.048 -15.034 -10.689 1.00 0.00 H new ATOM 0 HG3 GLU A 126 0.367 -13.479 -10.255 1.00 0.00 H new ATOM 603 N THR A 127 0.572 -17.152 -7.170 1.00 0.00 N ATOM 604 CA THR A 127 0.749 -18.127 -6.099 1.00 0.00 C ATOM 605 C THR A 127 1.179 -17.446 -4.802 1.00 0.00 C ATOM 606 O THR A 127 0.973 -17.980 -3.712 1.00 0.00 O ATOM 607 CB THR A 127 1.783 -19.178 -6.504 1.00 0.00 C ATOM 608 OG1 THR A 127 1.905 -20.173 -5.504 1.00 0.00 O ATOM 609 CG2 THR A 127 3.161 -18.599 -6.747 1.00 0.00 C ATOM 0 H THR A 127 1.146 -17.324 -7.996 1.00 0.00 H new ATOM 0 HA THR A 127 -0.210 -18.616 -5.928 1.00 0.00 H new ATOM 0 HB THR A 127 1.414 -19.601 -7.438 1.00 0.00 H new ATOM 0 HG1 THR A 127 2.570 -20.837 -5.782 1.00 0.00 H new ATOM 0 HG21 THR A 127 3.846 -19.398 -7.031 1.00 0.00 H new ATOM 0 HG22 THR A 127 3.110 -17.863 -7.549 1.00 0.00 H new ATOM 0 HG23 THR A 127 3.520 -18.119 -5.836 1.00 0.00 H new ATOM 617 N ILE A 128 1.779 -16.265 -4.927 1.00 0.00 N ATOM 618 CA ILE A 128 2.239 -15.512 -3.764 1.00 0.00 C ATOM 619 C ILE A 128 1.114 -15.307 -2.751 1.00 0.00 C ATOM 620 O ILE A 128 1.368 -15.104 -1.564 1.00 0.00 O ATOM 621 CB ILE A 128 2.803 -14.137 -4.171 1.00 0.00 C ATOM 622 CG1 ILE A 128 1.811 -13.396 -5.069 1.00 0.00 C ATOM 623 CG2 ILE A 128 4.143 -14.298 -4.873 1.00 0.00 C ATOM 624 CD1 ILE A 128 2.261 -11.999 -5.440 1.00 0.00 C ATOM 0 H ILE A 128 1.958 -15.809 -5.822 1.00 0.00 H new ATOM 0 HA ILE A 128 3.032 -16.102 -3.304 1.00 0.00 H new ATOM 0 HB ILE A 128 2.957 -13.546 -3.268 1.00 0.00 H new ATOM 0 HG12 ILE A 128 1.656 -13.974 -5.980 1.00 0.00 H new ATOM 0 HG13 ILE A 128 0.848 -13.337 -4.562 1.00 0.00 H new ATOM 0 HG21 ILE A 128 4.527 -13.317 -5.154 1.00 0.00 H new ATOM 0 HG22 ILE A 128 4.849 -14.786 -4.201 1.00 0.00 H new ATOM 0 HG23 ILE A 128 4.014 -14.907 -5.768 1.00 0.00 H new ATOM 0 HD11 ILE A 128 1.510 -11.532 -6.077 1.00 0.00 H new ATOM 0 HD12 ILE A 128 2.388 -11.405 -4.535 1.00 0.00 H new ATOM 0 HD13 ILE A 128 3.209 -12.052 -5.975 1.00 0.00 H new ATOM 636 N THR A 129 -0.128 -15.361 -3.226 1.00 0.00 N ATOM 637 CA THR A 129 -1.291 -15.179 -2.359 1.00 0.00 C ATOM 638 C THR A 129 -1.188 -16.048 -1.107 1.00 0.00 C ATOM 639 O THR A 129 -0.485 -17.058 -1.096 1.00 0.00 O ATOM 640 CB THR A 129 -2.576 -15.516 -3.118 1.00 0.00 C ATOM 641 OG1 THR A 129 -2.463 -16.772 -3.764 1.00 0.00 O ATOM 642 CG2 THR A 129 -2.938 -14.489 -4.170 1.00 0.00 C ATOM 0 H THR A 129 -0.356 -15.529 -4.206 1.00 0.00 H new ATOM 0 HA THR A 129 -1.317 -14.134 -2.051 1.00 0.00 H new ATOM 0 HB THR A 129 -3.361 -15.530 -2.362 1.00 0.00 H new ATOM 0 HG1 THR A 129 -1.958 -16.667 -4.597 1.00 0.00 H new ATOM 0 HG21 THR A 129 -3.859 -14.789 -4.670 1.00 0.00 H new ATOM 0 HG22 THR A 129 -3.082 -13.518 -3.696 1.00 0.00 H new ATOM 0 HG23 THR A 129 -2.134 -14.419 -4.902 1.00 0.00 H new ATOM 650 N GLU A 130 -1.898 -15.647 -0.056 1.00 0.00 N ATOM 651 CA GLU A 130 -1.894 -16.385 1.205 1.00 0.00 C ATOM 652 C GLU A 130 -0.538 -16.285 1.897 1.00 0.00 C ATOM 653 O GLU A 130 -0.415 -15.667 2.954 1.00 0.00 O ATOM 654 CB GLU A 130 -2.253 -17.853 0.964 1.00 0.00 C ATOM 655 CG GLU A 130 -3.477 -18.041 0.083 1.00 0.00 C ATOM 656 CD GLU A 130 -4.399 -19.133 0.590 1.00 0.00 C ATOM 657 OE1 GLU A 130 -4.181 -20.309 0.230 1.00 0.00 O ATOM 658 OE2 GLU A 130 -5.339 -18.812 1.347 1.00 0.00 O ATOM 0 H GLU A 130 -2.485 -14.813 -0.052 1.00 0.00 H new ATOM 0 HA GLU A 130 -2.644 -15.938 1.858 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -1.403 -18.356 0.503 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -2.428 -18.338 1.924 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -4.028 -17.102 0.028 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -3.157 -18.283 -0.931 1.00 0.00 H new ATOM 665 N ASP A 131 0.478 -16.895 1.296 1.00 0.00 N ATOM 666 CA ASP A 131 1.823 -16.871 1.860 1.00 0.00 C ATOM 667 C ASP A 131 2.341 -15.441 1.968 1.00 0.00 C ATOM 668 O ASP A 131 2.707 -14.983 3.050 1.00 0.00 O ATOM 669 CB ASP A 131 2.774 -17.709 1.003 1.00 0.00 C ATOM 670 CG ASP A 131 3.752 -18.511 1.840 1.00 0.00 C ATOM 671 OD1 ASP A 131 3.352 -19.571 2.366 1.00 0.00 O ATOM 672 OD2 ASP A 131 4.917 -18.079 1.969 1.00 0.00 O ATOM 0 H ASP A 131 0.396 -17.411 0.420 1.00 0.00 H new ATOM 0 HA ASP A 131 1.778 -17.298 2.862 1.00 0.00 H new ATOM 0 HB2 ASP A 131 2.193 -18.387 0.378 1.00 0.00 H new ATOM 0 HB3 ASP A 131 3.328 -17.053 0.332 1.00 0.00 H new ATOM 677 N ASP A 132 2.368 -14.739 0.840 1.00 0.00 N ATOM 678 CA ASP A 132 2.840 -13.359 0.811 1.00 0.00 C ATOM 679 C ASP A 132 2.019 -12.480 1.750 1.00 0.00 C ATOM 680 O ASP A 132 2.484 -11.433 2.200 1.00 0.00 O ATOM 681 CB ASP A 132 2.775 -12.805 -0.613 1.00 0.00 C ATOM 682 CG ASP A 132 3.762 -11.677 -0.841 1.00 0.00 C ATOM 683 OD1 ASP A 132 4.976 -11.960 -0.931 1.00 0.00 O ATOM 684 OD2 ASP A 132 3.322 -10.511 -0.929 1.00 0.00 O ATOM 0 H ASP A 132 2.069 -15.102 -0.065 1.00 0.00 H new ATOM 0 HA ASP A 132 3.876 -13.350 1.150 1.00 0.00 H new ATOM 0 HB2 ASP A 132 2.976 -13.608 -1.322 1.00 0.00 H new ATOM 0 HB3 ASP A 132 1.765 -12.447 -0.815 1.00 0.00 H new ATOM 689 N ILE A 133 0.796 -12.913 2.046 1.00 0.00 N ATOM 690 CA ILE A 133 -0.082 -12.165 2.936 1.00 0.00 C ATOM 691 C ILE A 133 0.544 -12.027 4.319 1.00 0.00 C ATOM 692 O ILE A 133 0.547 -10.946 4.908 1.00 0.00 O ATOM 693 CB ILE A 133 -1.459 -12.845 3.081 1.00 0.00 C ATOM 694 CG1 ILE A 133 -2.047 -13.185 1.707 1.00 0.00 C ATOM 695 CG2 ILE A 133 -2.406 -11.950 3.864 1.00 0.00 C ATOM 696 CD1 ILE A 133 -2.472 -11.973 0.906 1.00 0.00 C ATOM 0 H ILE A 133 0.393 -13.777 1.682 1.00 0.00 H new ATOM 0 HA ILE A 133 -0.220 -11.180 2.491 1.00 0.00 H new ATOM 0 HB ILE A 133 -1.327 -13.778 3.630 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -1.308 -13.746 1.135 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -2.908 -13.839 1.843 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -3.375 -12.441 3.960 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -1.994 -11.764 4.856 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -2.529 -11.003 3.339 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -2.878 -12.295 -0.053 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -3.235 -11.422 1.456 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -1.610 -11.328 0.737 1.00 0.00 H new ATOM 708 N GLU A 134 1.071 -13.134 4.831 1.00 0.00 N ATOM 709 CA GLU A 134 1.701 -13.149 6.145 1.00 0.00 C ATOM 710 C GLU A 134 3.123 -12.597 6.080 1.00 0.00 C ATOM 711 O GLU A 134 3.645 -12.084 7.069 1.00 0.00 O ATOM 712 CB GLU A 134 1.722 -14.574 6.703 1.00 0.00 C ATOM 713 CG GLU A 134 0.517 -14.906 7.568 1.00 0.00 C ATOM 714 CD GLU A 134 0.878 -15.765 8.764 1.00 0.00 C ATOM 715 OE1 GLU A 134 1.843 -16.552 8.661 1.00 0.00 O ATOM 716 OE2 GLU A 134 0.196 -15.651 9.804 1.00 0.00 O ATOM 0 H GLU A 134 1.074 -14.035 4.354 1.00 0.00 H new ATOM 0 HA GLU A 134 1.116 -12.511 6.807 1.00 0.00 H new ATOM 0 HB2 GLU A 134 1.769 -15.280 5.873 1.00 0.00 H new ATOM 0 HB3 GLU A 134 2.630 -14.712 7.290 1.00 0.00 H new ATOM 0 HG2 GLU A 134 0.057 -13.981 7.915 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -0.228 -15.425 6.964 1.00 0.00 H new ATOM 723 N GLU A 135 3.746 -12.711 4.911 1.00 0.00 N ATOM 724 CA GLU A 135 5.109 -12.229 4.722 1.00 0.00 C ATOM 725 C GLU A 135 5.137 -10.719 4.508 1.00 0.00 C ATOM 726 O GLU A 135 6.064 -10.040 4.949 1.00 0.00 O ATOM 727 CB GLU A 135 5.762 -12.935 3.532 1.00 0.00 C ATOM 728 CG GLU A 135 6.157 -14.374 3.821 1.00 0.00 C ATOM 729 CD GLU A 135 7.038 -14.502 5.048 1.00 0.00 C ATOM 730 OE1 GLU A 135 7.932 -13.648 5.229 1.00 0.00 O ATOM 731 OE2 GLU A 135 6.834 -15.456 5.829 1.00 0.00 O ATOM 0 H GLU A 135 3.329 -13.133 4.081 1.00 0.00 H new ATOM 0 HA GLU A 135 5.671 -12.456 5.628 1.00 0.00 H new ATOM 0 HB2 GLU A 135 5.073 -12.919 2.688 1.00 0.00 H new ATOM 0 HB3 GLU A 135 6.649 -12.377 3.231 1.00 0.00 H new ATOM 0 HG2 GLU A 135 5.257 -14.973 3.961 1.00 0.00 H new ATOM 0 HG3 GLU A 135 6.681 -14.783 2.958 1.00 0.00 H new ATOM 738 N LEU A 136 4.120 -10.196 3.830 1.00 0.00 N ATOM 739 CA LEU A 136 4.045 -8.764 3.566 1.00 0.00 C ATOM 740 C LEU A 136 3.872 -7.982 4.862 1.00 0.00 C ATOM 741 O LEU A 136 4.535 -6.970 5.083 1.00 0.00 O ATOM 742 CB LEU A 136 2.890 -8.448 2.611 1.00 0.00 C ATOM 743 CG LEU A 136 2.665 -6.956 2.342 1.00 0.00 C ATOM 744 CD1 LEU A 136 3.996 -6.231 2.226 1.00 0.00 C ATOM 745 CD2 LEU A 136 1.838 -6.755 1.081 1.00 0.00 C ATOM 0 H LEU A 136 3.341 -10.738 3.456 1.00 0.00 H new ATOM 0 HA LEU A 136 4.982 -8.463 3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 136 3.076 -8.950 1.661 1.00 0.00 H new ATOM 0 HB3 LEU A 136 1.973 -8.871 3.021 1.00 0.00 H new ATOM 0 HG LEU A 136 2.113 -6.536 3.183 1.00 0.00 H new ATOM 0 HD11 LEU A 136 3.818 -5.173 2.035 1.00 0.00 H new ATOM 0 HD12 LEU A 136 4.554 -6.343 3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 136 4.572 -6.656 1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 136 1.690 -5.689 0.909 1.00 0.00 H new ATOM 0 HD22 LEU A 136 2.361 -7.191 0.230 1.00 0.00 H new ATOM 0 HD23 LEU A 136 0.870 -7.241 1.200 1.00 0.00 H new ATOM 757 N MET A 137 2.972 -8.461 5.714 1.00 0.00 N ATOM 758 CA MET A 137 2.693 -7.818 6.997 1.00 0.00 C ATOM 759 C MET A 137 3.980 -7.387 7.697 1.00 0.00 C ATOM 760 O MET A 137 4.001 -6.388 8.417 1.00 0.00 O ATOM 761 CB MET A 137 1.904 -8.766 7.903 1.00 0.00 C ATOM 762 CG MET A 137 0.802 -8.078 8.691 1.00 0.00 C ATOM 763 SD MET A 137 1.418 -7.249 10.168 1.00 0.00 S ATOM 764 CE MET A 137 -0.109 -6.626 10.868 1.00 0.00 C ATOM 0 H MET A 137 2.418 -9.299 5.539 1.00 0.00 H new ATOM 0 HA MET A 137 2.098 -6.926 6.799 1.00 0.00 H new ATOM 0 HB2 MET A 137 1.465 -9.556 7.294 1.00 0.00 H new ATOM 0 HB3 MET A 137 2.592 -9.246 8.599 1.00 0.00 H new ATOM 0 HG2 MET A 137 0.304 -7.349 8.051 1.00 0.00 H new ATOM 0 HG3 MET A 137 0.052 -8.815 8.979 1.00 0.00 H new ATOM 0 HE1 MET A 137 0.118 -5.888 11.638 1.00 0.00 H new ATOM 0 HE2 MET A 137 -0.705 -6.160 10.084 1.00 0.00 H new ATOM 0 HE3 MET A 137 -0.670 -7.450 11.309 1.00 0.00 H new ATOM 774 N LYS A 138 5.052 -8.143 7.478 1.00 0.00 N ATOM 775 CA LYS A 138 6.342 -7.834 8.086 1.00 0.00 C ATOM 776 C LYS A 138 6.769 -6.405 7.761 1.00 0.00 C ATOM 777 O LYS A 138 7.491 -5.771 8.531 1.00 0.00 O ATOM 778 CB LYS A 138 7.406 -8.821 7.603 1.00 0.00 C ATOM 779 CG LYS A 138 8.418 -9.197 8.672 1.00 0.00 C ATOM 780 CD LYS A 138 9.496 -10.115 8.118 1.00 0.00 C ATOM 781 CE LYS A 138 9.015 -11.556 8.035 1.00 0.00 C ATOM 782 NZ LYS A 138 9.724 -12.435 9.006 1.00 0.00 N ATOM 0 H LYS A 138 5.053 -8.973 6.885 1.00 0.00 H new ATOM 0 HA LYS A 138 6.238 -7.924 9.167 1.00 0.00 H new ATOM 0 HB2 LYS A 138 6.914 -9.726 7.246 1.00 0.00 H new ATOM 0 HB3 LYS A 138 7.932 -8.387 6.753 1.00 0.00 H new ATOM 0 HG2 LYS A 138 8.878 -8.294 9.073 1.00 0.00 H new ATOM 0 HG3 LYS A 138 7.909 -9.690 9.500 1.00 0.00 H new ATOM 0 HD2 LYS A 138 9.793 -9.772 7.127 1.00 0.00 H new ATOM 0 HD3 LYS A 138 10.381 -10.062 8.752 1.00 0.00 H new ATOM 0 HE2 LYS A 138 7.943 -11.593 8.228 1.00 0.00 H new ATOM 0 HE3 LYS A 138 9.170 -11.933 7.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 9.368 -13.408 8.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 10.745 -12.421 8.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 9.556 -12.091 9.973 1.00 0.00 H new ATOM 796 N ASP A 139 6.317 -5.903 6.616 1.00 0.00 N ATOM 797 CA ASP A 139 6.648 -4.549 6.189 1.00 0.00 C ATOM 798 C ASP A 139 5.625 -3.548 6.714 1.00 0.00 C ATOM 799 O ASP A 139 5.985 -2.483 7.216 1.00 0.00 O ATOM 800 CB ASP A 139 6.715 -4.474 4.662 1.00 0.00 C ATOM 801 CG ASP A 139 7.763 -3.492 4.177 1.00 0.00 C ATOM 802 OD1 ASP A 139 7.945 -2.446 4.834 1.00 0.00 O ATOM 803 OD2 ASP A 139 8.401 -3.769 3.139 1.00 0.00 O ATOM 0 H ASP A 139 5.720 -6.415 5.967 1.00 0.00 H new ATOM 0 HA ASP A 139 7.624 -4.294 6.601 1.00 0.00 H new ATOM 0 HB2 ASP A 139 6.935 -5.464 4.262 1.00 0.00 H new ATOM 0 HB3 ASP A 139 5.740 -4.182 4.272 1.00 0.00 H new ATOM 808 N GLY A 140 4.346 -3.897 6.598 1.00 0.00 N ATOM 809 CA GLY A 140 3.292 -3.017 7.069 1.00 0.00 C ATOM 810 C GLY A 140 3.430 -2.694 8.542 1.00 0.00 C ATOM 811 O GLY A 140 3.567 -1.532 8.920 1.00 0.00 O ATOM 0 H GLY A 140 4.022 -4.772 6.187 1.00 0.00 H new ATOM 0 HA2 GLY A 140 3.309 -2.092 6.493 1.00 0.00 H new ATOM 0 HA3 GLY A 140 2.324 -3.485 6.891 1.00 0.00 H new ATOM 815 N ASP A 141 3.398 -3.727 9.375 1.00 0.00 N ATOM 816 CA ASP A 141 3.523 -3.551 10.816 1.00 0.00 C ATOM 817 C ASP A 141 4.991 -3.481 11.227 1.00 0.00 C ATOM 818 O ASP A 141 5.494 -2.418 11.591 1.00 0.00 O ATOM 819 CB ASP A 141 2.823 -4.697 11.549 1.00 0.00 C ATOM 820 CG ASP A 141 2.932 -4.575 13.056 1.00 0.00 C ATOM 821 OD1 ASP A 141 2.690 -3.468 13.581 1.00 0.00 O ATOM 822 OD2 ASP A 141 3.259 -5.587 13.712 1.00 0.00 O ATOM 0 H ASP A 141 3.286 -4.696 9.077 1.00 0.00 H new ATOM 0 HA ASP A 141 3.045 -2.611 11.091 1.00 0.00 H new ATOM 0 HB2 ASP A 141 1.771 -4.717 11.265 1.00 0.00 H new ATOM 0 HB3 ASP A 141 3.257 -5.645 11.232 1.00 0.00 H new ATOM 827 N LYS A 142 5.673 -4.620 11.165 1.00 0.00 N ATOM 828 CA LYS A 142 7.084 -4.688 11.529 1.00 0.00 C ATOM 829 C LYS A 142 7.300 -4.231 12.968 1.00 0.00 C ATOM 830 O LYS A 142 8.354 -3.692 13.307 1.00 0.00 O ATOM 831 CB LYS A 142 7.919 -3.829 10.578 1.00 0.00 C ATOM 832 CG LYS A 142 9.339 -4.337 10.386 1.00 0.00 C ATOM 833 CD LYS A 142 10.322 -3.192 10.211 1.00 0.00 C ATOM 834 CE LYS A 142 10.526 -2.852 8.743 1.00 0.00 C ATOM 835 NZ LYS A 142 11.100 -1.490 8.563 1.00 0.00 N ATOM 0 H LYS A 142 5.272 -5.509 10.866 1.00 0.00 H new ATOM 0 HA LYS A 142 7.404 -5.727 11.446 1.00 0.00 H new ATOM 0 HB2 LYS A 142 7.423 -3.788 9.608 1.00 0.00 H new ATOM 0 HB3 LYS A 142 7.956 -2.809 10.961 1.00 0.00 H new ATOM 0 HG2 LYS A 142 9.630 -4.939 11.246 1.00 0.00 H new ATOM 0 HG3 LYS A 142 9.378 -4.988 9.513 1.00 0.00 H new ATOM 0 HD2 LYS A 142 9.956 -2.313 10.742 1.00 0.00 H new ATOM 0 HD3 LYS A 142 11.278 -3.460 10.660 1.00 0.00 H new ATOM 0 HE2 LYS A 142 11.189 -3.588 8.289 1.00 0.00 H new ATOM 0 HE3 LYS A 142 9.572 -2.916 8.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 11.224 -1.297 7.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 10.456 -0.785 8.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 12.022 -1.436 9.041 1.00 0.00 H new ATOM 849 N ASN A 143 6.297 -4.450 13.812 1.00 0.00 N ATOM 850 CA ASN A 143 6.378 -4.060 15.215 1.00 0.00 C ATOM 851 C ASN A 143 6.174 -5.261 16.140 1.00 0.00 C ATOM 852 O ASN A 143 6.181 -5.118 17.363 1.00 0.00 O ATOM 853 CB ASN A 143 5.338 -2.982 15.526 1.00 0.00 C ATOM 854 CG ASN A 143 5.899 -1.580 15.384 1.00 0.00 C ATOM 855 OD1 ASN A 143 6.883 -1.361 14.678 1.00 0.00 O ATOM 856 ND2 ASN A 143 5.274 -0.622 16.058 1.00 0.00 N ATOM 0 H ASN A 143 5.418 -4.896 13.549 1.00 0.00 H new ATOM 0 HA ASN A 143 7.376 -3.660 15.392 1.00 0.00 H new ATOM 0 HB2 ASN A 143 4.486 -3.099 14.856 1.00 0.00 H new ATOM 0 HB3 ASN A 143 4.967 -3.121 16.541 1.00 0.00 H new ATOM 0 HD21 ASN A 143 5.606 0.341 16.002 1.00 0.00 H new ATOM 0 HD22 ASN A 143 4.462 -0.849 16.631 1.00 0.00 H new ATOM 863 N ASN A 144 5.994 -6.443 15.554 1.00 0.00 N ATOM 864 CA ASN A 144 5.790 -7.658 16.333 1.00 0.00 C ATOM 865 C ASN A 144 4.560 -7.536 17.228 1.00 0.00 C ATOM 866 O ASN A 144 4.471 -8.188 18.269 1.00 0.00 O ATOM 867 CB ASN A 144 7.026 -7.956 17.185 1.00 0.00 C ATOM 868 CG ASN A 144 6.997 -9.350 17.779 1.00 0.00 C ATOM 869 OD1 ASN A 144 6.321 -10.242 17.266 1.00 0.00 O ATOM 870 ND2 ASN A 144 7.732 -9.545 18.868 1.00 0.00 N ATOM 0 H ASN A 144 5.986 -6.583 14.544 1.00 0.00 H new ATOM 0 HA ASN A 144 5.628 -8.481 15.636 1.00 0.00 H new ATOM 0 HB2 ASN A 144 7.921 -7.843 16.573 1.00 0.00 H new ATOM 0 HB3 ASN A 144 7.095 -7.223 17.989 1.00 0.00 H new ATOM 0 HD21 ASN A 144 7.751 -10.463 19.313 1.00 0.00 H new ATOM 0 HD22 ASN A 144 8.277 -8.777 19.260 1.00 0.00 H new ATOM 877 N ASP A 145 3.613 -6.699 16.816 1.00 0.00 N ATOM 878 CA ASP A 145 2.388 -6.494 17.581 1.00 0.00 C ATOM 879 C ASP A 145 1.157 -6.795 16.730 1.00 0.00 C ATOM 880 O ASP A 145 0.187 -7.379 17.212 1.00 0.00 O ATOM 881 CB ASP A 145 2.322 -5.058 18.107 1.00 0.00 C ATOM 882 CG ASP A 145 2.667 -4.031 17.046 1.00 0.00 C ATOM 883 OD1 ASP A 145 2.832 -4.421 15.871 1.00 0.00 O ATOM 884 OD2 ASP A 145 2.773 -2.835 17.390 1.00 0.00 O ATOM 0 H ASP A 145 3.670 -6.152 15.957 1.00 0.00 H new ATOM 0 HA ASP A 145 2.399 -7.182 18.427 1.00 0.00 H new ATOM 0 HB2 ASP A 145 1.320 -4.860 18.487 1.00 0.00 H new ATOM 0 HB3 ASP A 145 3.008 -4.951 18.947 1.00 0.00 H new ATOM 889 N GLY A 146 1.204 -6.392 15.464 1.00 0.00 N ATOM 890 CA GLY A 146 0.087 -6.628 14.570 1.00 0.00 C ATOM 891 C GLY A 146 -0.856 -5.444 14.494 1.00 0.00 C ATOM 892 O GLY A 146 -1.981 -5.505 14.989 1.00 0.00 O ATOM 0 H GLY A 146 1.996 -5.906 15.042 1.00 0.00 H new ATOM 0 HA2 GLY A 146 0.465 -6.852 13.572 1.00 0.00 H new ATOM 0 HA3 GLY A 146 -0.464 -7.506 14.906 1.00 0.00 H new ATOM 896 N ARG A 147 -0.396 -4.362 13.874 1.00 0.00 N ATOM 897 CA ARG A 147 -1.207 -3.158 13.736 1.00 0.00 C ATOM 898 C ARG A 147 -0.475 -2.094 12.923 1.00 0.00 C ATOM 899 O ARG A 147 0.464 -1.464 13.408 1.00 0.00 O ATOM 900 CB ARG A 147 -1.572 -2.603 15.114 1.00 0.00 C ATOM 901 CG ARG A 147 -0.370 -2.136 15.919 1.00 0.00 C ATOM 902 CD ARG A 147 -0.696 -2.035 17.400 1.00 0.00 C ATOM 903 NE ARG A 147 0.493 -1.763 18.205 1.00 0.00 N ATOM 904 CZ ARG A 147 0.455 -1.288 19.448 1.00 0.00 C ATOM 905 NH1 ARG A 147 -0.709 -1.030 20.032 1.00 0.00 N ATOM 906 NH2 ARG A 147 1.584 -1.070 20.109 1.00 0.00 N ATOM 0 H ARG A 147 0.534 -4.294 13.459 1.00 0.00 H new ATOM 0 HA ARG A 147 -2.121 -3.427 13.206 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -2.262 -1.768 14.989 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -2.100 -3.372 15.678 1.00 0.00 H new ATOM 0 HG2 ARG A 147 0.458 -2.830 15.774 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -0.040 -1.165 15.551 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -1.429 -1.243 17.557 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -1.155 -2.965 17.734 1.00 0.00 H new ATOM 0 HE ARG A 147 1.406 -1.948 17.790 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -1.580 -1.196 19.528 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -0.732 -0.666 20.985 1.00 0.00 H new ATOM 0 HH21 ARG A 147 2.481 -1.266 19.665 1.00 0.00 H new ATOM 0 HH22 ARG A 147 1.555 -0.706 21.061 1.00 0.00 H new ATOM 920 N ILE A 148 -0.913 -1.900 11.684 1.00 0.00 N ATOM 921 CA ILE A 148 -0.307 -0.913 10.801 1.00 0.00 C ATOM 922 C ILE A 148 -1.314 0.182 10.461 1.00 0.00 C ATOM 923 O ILE A 148 -2.284 -0.056 9.743 1.00 0.00 O ATOM 924 CB ILE A 148 0.217 -1.583 9.512 1.00 0.00 C ATOM 925 CG1 ILE A 148 1.015 -0.595 8.662 1.00 0.00 C ATOM 926 CG2 ILE A 148 -0.921 -2.182 8.710 1.00 0.00 C ATOM 927 CD1 ILE A 148 0.180 0.525 8.085 1.00 0.00 C ATOM 0 H ILE A 148 -1.688 -2.416 11.268 1.00 0.00 H new ATOM 0 HA ILE A 148 0.539 -0.461 11.319 1.00 0.00 H new ATOM 0 HB ILE A 148 0.887 -2.391 9.808 1.00 0.00 H new ATOM 0 HG12 ILE A 148 1.811 -0.166 9.271 1.00 0.00 H new ATOM 0 HG13 ILE A 148 1.494 -1.136 7.846 1.00 0.00 H new ATOM 0 HG21 ILE A 148 -0.525 -2.647 7.808 1.00 0.00 H new ATOM 0 HG22 ILE A 148 -1.433 -2.933 9.311 1.00 0.00 H new ATOM 0 HG23 ILE A 148 -1.625 -1.397 8.434 1.00 0.00 H new ATOM 0 HD11 ILE A 148 0.815 1.185 7.494 1.00 0.00 H new ATOM 0 HD12 ILE A 148 -0.600 0.107 7.449 1.00 0.00 H new ATOM 0 HD13 ILE A 148 -0.278 1.092 8.895 1.00 0.00 H new ATOM 939 N ASP A 149 -1.087 1.380 10.998 1.00 0.00 N ATOM 940 CA ASP A 149 -1.992 2.501 10.761 1.00 0.00 C ATOM 941 C ASP A 149 -1.238 3.813 10.553 1.00 0.00 C ATOM 942 O ASP A 149 -0.520 4.277 11.438 1.00 0.00 O ATOM 943 CB ASP A 149 -2.961 2.648 11.936 1.00 0.00 C ATOM 944 CG ASP A 149 -2.256 2.604 13.277 1.00 0.00 C ATOM 945 OD1 ASP A 149 -1.910 1.492 13.729 1.00 0.00 O ATOM 946 OD2 ASP A 149 -2.052 3.680 13.877 1.00 0.00 O ATOM 0 H ASP A 149 -0.290 1.597 11.596 1.00 0.00 H new ATOM 0 HA ASP A 149 -2.545 2.285 9.847 1.00 0.00 H new ATOM 0 HB2 ASP A 149 -3.500 3.591 11.843 1.00 0.00 H new ATOM 0 HB3 ASP A 149 -3.703 1.851 11.893 1.00 0.00 H new ATOM 951 N TYR A 150 -1.436 4.413 9.382 1.00 0.00 N ATOM 952 CA TYR A 150 -0.813 5.690 9.032 1.00 0.00 C ATOM 953 C TYR A 150 0.697 5.699 9.289 1.00 0.00 C ATOM 954 O TYR A 150 1.488 5.486 8.370 1.00 0.00 O ATOM 955 CB TYR A 150 -1.486 6.832 9.803 1.00 0.00 C ATOM 956 CG TYR A 150 -2.227 7.810 8.918 1.00 0.00 C ATOM 957 CD1 TYR A 150 -1.727 8.165 7.672 1.00 0.00 C ATOM 958 CD2 TYR A 150 -3.425 8.379 9.331 1.00 0.00 C ATOM 959 CE1 TYR A 150 -2.399 9.059 6.862 1.00 0.00 C ATOM 960 CE2 TYR A 150 -4.104 9.274 8.527 1.00 0.00 C ATOM 961 CZ TYR A 150 -3.587 9.611 7.294 1.00 0.00 C ATOM 962 OH TYR A 150 -4.261 10.503 6.492 1.00 0.00 O ATOM 0 H TYR A 150 -2.032 4.029 8.648 1.00 0.00 H new ATOM 0 HA TYR A 150 -0.956 5.834 7.961 1.00 0.00 H new ATOM 0 HB2 TYR A 150 -2.184 6.409 10.526 1.00 0.00 H new ATOM 0 HB3 TYR A 150 -0.728 7.372 10.370 1.00 0.00 H new ATOM 0 HD1 TYR A 150 -0.797 7.735 7.331 1.00 0.00 H new ATOM 0 HD2 TYR A 150 -3.832 8.117 10.296 1.00 0.00 H new ATOM 0 HE1 TYR A 150 -1.997 9.325 5.896 1.00 0.00 H new ATOM 0 HE2 TYR A 150 -5.035 9.707 8.862 1.00 0.00 H new ATOM 0 HH TYR A 150 -5.079 10.796 6.945 1.00 0.00 H new ATOM 972 N ASP A 151 1.087 5.968 10.537 1.00 0.00 N ATOM 973 CA ASP A 151 2.499 6.033 10.922 1.00 0.00 C ATOM 974 C ASP A 151 3.340 4.987 10.196 1.00 0.00 C ATOM 975 O ASP A 151 4.362 5.310 9.592 1.00 0.00 O ATOM 976 CB ASP A 151 2.641 5.850 12.433 1.00 0.00 C ATOM 977 CG ASP A 151 2.127 7.046 13.210 1.00 0.00 C ATOM 978 OD1 ASP A 151 2.858 8.054 13.301 1.00 0.00 O ATOM 979 OD2 ASP A 151 0.992 6.975 13.728 1.00 0.00 O ATOM 0 H ASP A 151 0.439 6.146 11.304 1.00 0.00 H new ATOM 0 HA ASP A 151 2.869 7.017 10.633 1.00 0.00 H new ATOM 0 HB2 ASP A 151 2.096 4.958 12.741 1.00 0.00 H new ATOM 0 HB3 ASP A 151 3.690 5.683 12.679 1.00 0.00 H new ATOM 984 N GLU A 152 2.909 3.735 10.263 1.00 0.00 N ATOM 985 CA GLU A 152 3.631 2.649 9.614 1.00 0.00 C ATOM 986 C GLU A 152 3.255 2.539 8.138 1.00 0.00 C ATOM 987 O GLU A 152 4.052 2.081 7.320 1.00 0.00 O ATOM 988 CB GLU A 152 3.355 1.330 10.332 1.00 0.00 C ATOM 989 CG GLU A 152 4.115 1.177 11.639 1.00 0.00 C ATOM 990 CD GLU A 152 3.347 0.376 12.671 1.00 0.00 C ATOM 991 OE1 GLU A 152 3.050 -0.808 12.403 1.00 0.00 O ATOM 992 OE2 GLU A 152 3.043 0.931 13.748 1.00 0.00 O ATOM 0 H GLU A 152 2.066 3.446 10.759 1.00 0.00 H new ATOM 0 HA GLU A 152 4.697 2.869 9.673 1.00 0.00 H new ATOM 0 HB2 GLU A 152 2.286 1.252 10.532 1.00 0.00 H new ATOM 0 HB3 GLU A 152 3.617 0.504 9.670 1.00 0.00 H new ATOM 0 HG2 GLU A 152 5.070 0.690 11.444 1.00 0.00 H new ATOM 0 HG3 GLU A 152 4.337 2.165 12.043 1.00 0.00 H new ATOM 999 N PHE A 153 2.038 2.960 7.800 1.00 0.00 N ATOM 1000 CA PHE A 153 1.569 2.904 6.418 1.00 0.00 C ATOM 1001 C PHE A 153 2.437 3.768 5.510 1.00 0.00 C ATOM 1002 O PHE A 153 2.878 3.326 4.451 1.00 0.00 O ATOM 1003 CB PHE A 153 0.108 3.359 6.330 1.00 0.00 C ATOM 1004 CG PHE A 153 -0.352 3.644 4.925 1.00 0.00 C ATOM 1005 CD1 PHE A 153 0.080 2.858 3.870 1.00 0.00 C ATOM 1006 CD2 PHE A 153 -1.212 4.698 4.661 1.00 0.00 C ATOM 1007 CE1 PHE A 153 -0.336 3.116 2.579 1.00 0.00 C ATOM 1008 CE2 PHE A 153 -1.632 4.960 3.371 1.00 0.00 C ATOM 1009 CZ PHE A 153 -1.193 4.168 2.329 1.00 0.00 C ATOM 0 H PHE A 153 1.362 3.342 8.461 1.00 0.00 H new ATOM 0 HA PHE A 153 1.641 1.870 6.082 1.00 0.00 H new ATOM 0 HB2 PHE A 153 -0.530 2.589 6.763 1.00 0.00 H new ATOM 0 HB3 PHE A 153 -0.021 4.257 6.935 1.00 0.00 H new ATOM 0 HD1 PHE A 153 0.751 2.033 4.059 1.00 0.00 H new ATOM 0 HD2 PHE A 153 -1.558 5.321 5.472 1.00 0.00 H new ATOM 0 HE1 PHE A 153 0.009 2.495 1.766 1.00 0.00 H new ATOM 0 HE2 PHE A 153 -2.303 5.784 3.178 1.00 0.00 H new ATOM 0 HZ PHE A 153 -1.520 4.371 1.320 1.00 0.00 H new ATOM 1019 N LEU A 154 2.672 5.005 5.926 1.00 0.00 N ATOM 1020 CA LEU A 154 3.480 5.932 5.144 1.00 0.00 C ATOM 1021 C LEU A 154 4.851 5.337 4.824 1.00 0.00 C ATOM 1022 O LEU A 154 5.512 5.758 3.875 1.00 0.00 O ATOM 1023 CB LEU A 154 3.619 7.262 5.889 1.00 0.00 C ATOM 1024 CG LEU A 154 2.316 7.808 6.493 1.00 0.00 C ATOM 1025 CD1 LEU A 154 2.354 9.326 6.569 1.00 0.00 C ATOM 1026 CD2 LEU A 154 1.106 7.352 5.685 1.00 0.00 C ATOM 0 H LEU A 154 2.315 5.390 6.800 1.00 0.00 H new ATOM 0 HA LEU A 154 2.975 6.114 4.195 1.00 0.00 H new ATOM 0 HB2 LEU A 154 4.349 7.138 6.689 1.00 0.00 H new ATOM 0 HB3 LEU A 154 4.023 8.006 5.202 1.00 0.00 H new ATOM 0 HG LEU A 154 2.224 7.410 7.503 1.00 0.00 H new ATOM 0 HD11 LEU A 154 1.422 9.692 7.000 1.00 0.00 H new ATOM 0 HD12 LEU A 154 3.190 9.638 7.195 1.00 0.00 H new ATOM 0 HD13 LEU A 154 2.477 9.737 5.567 1.00 0.00 H new ATOM 0 HD21 LEU A 154 0.197 7.752 6.134 1.00 0.00 H new ATOM 0 HD22 LEU A 154 1.195 7.714 4.661 1.00 0.00 H new ATOM 0 HD23 LEU A 154 1.060 6.263 5.682 1.00 0.00 H new ATOM 1038 N GLU A 155 5.264 4.342 5.607 1.00 0.00 N ATOM 1039 CA GLU A 155 6.544 3.679 5.386 1.00 0.00 C ATOM 1040 C GLU A 155 6.429 2.645 4.264 1.00 0.00 C ATOM 1041 O GLU A 155 7.435 2.187 3.722 1.00 0.00 O ATOM 1042 CB GLU A 155 7.024 3.005 6.674 1.00 0.00 C ATOM 1043 CG GLU A 155 8.001 3.850 7.475 1.00 0.00 C ATOM 1044 CD GLU A 155 8.275 3.276 8.851 1.00 0.00 C ATOM 1045 OE1 GLU A 155 7.348 3.274 9.689 1.00 0.00 O ATOM 1046 OE2 GLU A 155 9.416 2.828 9.091 1.00 0.00 O ATOM 0 H GLU A 155 4.731 3.979 6.398 1.00 0.00 H new ATOM 0 HA GLU A 155 7.273 4.433 5.090 1.00 0.00 H new ATOM 0 HB2 GLU A 155 6.160 2.774 7.297 1.00 0.00 H new ATOM 0 HB3 GLU A 155 7.498 2.056 6.423 1.00 0.00 H new ATOM 0 HG2 GLU A 155 8.939 3.933 6.926 1.00 0.00 H new ATOM 0 HG3 GLU A 155 7.603 4.859 7.579 1.00 0.00 H new ATOM 1053 N PHE A 156 5.193 2.285 3.917 1.00 0.00 N ATOM 1054 CA PHE A 156 4.939 1.313 2.858 1.00 0.00 C ATOM 1055 C PHE A 156 5.346 1.879 1.502 1.00 0.00 C ATOM 1056 O PHE A 156 6.149 1.284 0.783 1.00 0.00 O ATOM 1057 CB PHE A 156 3.454 0.934 2.841 1.00 0.00 C ATOM 1058 CG PHE A 156 3.194 -0.542 2.730 1.00 0.00 C ATOM 1059 CD1 PHE A 156 3.433 -1.384 3.804 1.00 0.00 C ATOM 1060 CD2 PHE A 156 2.696 -1.085 1.556 1.00 0.00 C ATOM 1061 CE1 PHE A 156 3.181 -2.739 3.708 1.00 0.00 C ATOM 1062 CE2 PHE A 156 2.444 -2.439 1.455 1.00 0.00 C ATOM 1063 CZ PHE A 156 2.686 -3.267 2.532 1.00 0.00 C ATOM 0 H PHE A 156 4.350 2.655 4.357 1.00 0.00 H new ATOM 0 HA PHE A 156 5.535 0.422 3.055 1.00 0.00 H new ATOM 0 HB2 PHE A 156 2.986 1.306 3.752 1.00 0.00 H new ATOM 0 HB3 PHE A 156 2.971 1.440 2.005 1.00 0.00 H new ATOM 0 HD1 PHE A 156 3.820 -0.977 4.726 1.00 0.00 H new ATOM 0 HD2 PHE A 156 2.503 -0.442 0.710 1.00 0.00 H new ATOM 0 HE1 PHE A 156 3.371 -3.385 4.552 1.00 0.00 H new ATOM 0 HE2 PHE A 156 2.058 -2.850 0.534 1.00 0.00 H new ATOM 0 HZ PHE A 156 2.489 -4.326 2.455 1.00 0.00 H new ATOM 1073 N MET A 157 4.785 3.034 1.160 1.00 0.00 N ATOM 1074 CA MET A 157 5.085 3.686 -0.109 1.00 0.00 C ATOM 1075 C MET A 157 6.555 4.094 -0.182 1.00 0.00 C ATOM 1076 O MET A 157 7.122 4.209 -1.269 1.00 0.00 O ATOM 1077 CB MET A 157 4.182 4.910 -0.304 1.00 0.00 C ATOM 1078 CG MET A 157 4.674 6.164 0.406 1.00 0.00 C ATOM 1079 SD MET A 157 5.422 7.354 -0.723 1.00 0.00 S ATOM 1080 CE MET A 157 3.997 7.847 -1.689 1.00 0.00 C ATOM 0 H MET A 157 4.119 3.538 1.745 1.00 0.00 H new ATOM 0 HA MET A 157 4.891 2.973 -0.911 1.00 0.00 H new ATOM 0 HB2 MET A 157 4.096 5.119 -1.370 1.00 0.00 H new ATOM 0 HB3 MET A 157 3.181 4.671 0.055 1.00 0.00 H new ATOM 0 HG2 MET A 157 3.838 6.635 0.923 1.00 0.00 H new ATOM 0 HG3 MET A 157 5.402 5.884 1.167 1.00 0.00 H new ATOM 0 HE1 MET A 157 4.198 8.803 -2.172 1.00 0.00 H new ATOM 0 HE2 MET A 157 3.794 7.092 -2.449 1.00 0.00 H new ATOM 0 HE3 MET A 157 3.131 7.946 -1.035 1.00 0.00 H new ATOM 1090 N LYS A 158 7.167 4.314 0.981 1.00 0.00 N ATOM 1091 CA LYS A 158 8.571 4.710 1.045 1.00 0.00 C ATOM 1092 C LYS A 158 9.431 3.821 0.151 1.00 0.00 C ATOM 1093 O LYS A 158 10.377 4.289 -0.481 1.00 0.00 O ATOM 1094 CB LYS A 158 9.076 4.650 2.489 1.00 0.00 C ATOM 1095 CG LYS A 158 9.217 6.016 3.140 1.00 0.00 C ATOM 1096 CD LYS A 158 10.437 6.081 4.047 1.00 0.00 C ATOM 1097 CE LYS A 158 11.371 7.214 3.649 1.00 0.00 C ATOM 1098 NZ LYS A 158 11.154 8.431 4.479 1.00 0.00 N ATOM 0 H LYS A 158 6.712 4.225 1.890 1.00 0.00 H new ATOM 0 HA LYS A 158 8.649 5.736 0.685 1.00 0.00 H new ATOM 0 HB2 LYS A 158 8.390 4.044 3.080 1.00 0.00 H new ATOM 0 HB3 LYS A 158 10.043 4.147 2.507 1.00 0.00 H new ATOM 0 HG2 LYS A 158 9.296 6.781 2.368 1.00 0.00 H new ATOM 0 HG3 LYS A 158 8.320 6.238 3.719 1.00 0.00 H new ATOM 0 HD2 LYS A 158 10.116 6.219 5.080 1.00 0.00 H new ATOM 0 HD3 LYS A 158 10.974 5.134 4.004 1.00 0.00 H new ATOM 0 HE2 LYS A 158 12.405 6.885 3.751 1.00 0.00 H new ATOM 0 HE3 LYS A 158 11.217 7.459 2.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 11.810 9.179 4.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 10.175 8.761 4.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 11.326 8.204 5.479 1.00 0.00 H new ATOM 1112 N GLY A 159 9.087 2.538 0.097 1.00 0.00 N ATOM 1113 CA GLY A 159 9.832 1.610 -0.731 1.00 0.00 C ATOM 1114 C GLY A 159 9.762 1.980 -2.198 1.00 0.00 C ATOM 1115 O GLY A 159 10.698 1.728 -2.957 1.00 0.00 O ATOM 0 H GLY A 159 8.308 2.126 0.611 1.00 0.00 H new ATOM 0 HA2 GLY A 159 10.874 1.593 -0.410 1.00 0.00 H new ATOM 0 HA3 GLY A 159 9.439 0.603 -0.591 1.00 0.00 H new ATOM 1119 N VAL A 160 8.647 2.586 -2.595 1.00 0.00 N ATOM 1120 CA VAL A 160 8.449 3.003 -3.975 1.00 0.00 C ATOM 1121 C VAL A 160 9.556 3.952 -4.424 1.00 0.00 C ATOM 1122 O VAL A 160 9.900 4.006 -5.605 1.00 0.00 O ATOM 1123 CB VAL A 160 7.084 3.697 -4.152 1.00 0.00 C ATOM 1124 CG1 VAL A 160 6.864 4.095 -5.601 1.00 0.00 C ATOM 1125 CG2 VAL A 160 5.958 2.796 -3.662 1.00 0.00 C ATOM 0 H VAL A 160 7.865 2.799 -1.976 1.00 0.00 H new ATOM 0 HA VAL A 160 8.476 2.105 -4.592 1.00 0.00 H new ATOM 0 HB VAL A 160 7.082 4.605 -3.549 1.00 0.00 H new ATOM 0 HG11 VAL A 160 5.894 4.583 -5.701 1.00 0.00 H new ATOM 0 HG12 VAL A 160 7.650 4.783 -5.913 1.00 0.00 H new ATOM 0 HG13 VAL A 160 6.889 3.206 -6.231 1.00 0.00 H new ATOM 0 HG21 VAL A 160 5.002 3.303 -3.795 1.00 0.00 H new ATOM 0 HG22 VAL A 160 5.959 1.868 -4.234 1.00 0.00 H new ATOM 0 HG23 VAL A 160 6.105 2.571 -2.606 1.00 0.00 H new ATOM 1135 N GLU A 161 10.110 4.698 -3.474 1.00 0.00 N ATOM 1136 CA GLU A 161 11.178 5.645 -3.771 1.00 0.00 C ATOM 1137 C GLU A 161 12.341 5.477 -2.798 1.00 0.00 C ATOM 1138 O GLU A 161 13.268 4.702 -3.114 1.00 0.00 O ATOM 1139 CB GLU A 161 10.648 7.079 -3.707 1.00 0.00 C ATOM 1140 CG GLU A 161 11.665 8.123 -4.140 1.00 0.00 C ATOM 1141 CD GLU A 161 11.894 8.128 -5.639 1.00 0.00 C ATOM 1142 OE1 GLU A 161 12.665 7.274 -6.124 1.00 0.00 O ATOM 1143 OE2 GLU A 161 11.302 8.987 -6.326 1.00 0.00 O ATOM 1144 OXT GLU A 161 12.314 6.121 -1.728 1.00 0.00 O ATOM 0 H GLU A 161 9.837 4.665 -2.492 1.00 0.00 H new ATOM 0 HA GLU A 161 11.539 5.442 -4.779 1.00 0.00 H new ATOM 0 HB2 GLU A 161 9.765 7.160 -4.340 1.00 0.00 H new ATOM 0 HB3 GLU A 161 10.330 7.295 -2.687 1.00 0.00 H new ATOM 0 HG2 GLU A 161 11.324 9.109 -3.825 1.00 0.00 H new ATOM 0 HG3 GLU A 161 12.611 7.936 -3.632 1.00 0.00 H new ATOM 1226 N PHE B 132 5.792 -5.559 -5.367 1.00 0.00 N ATOM 1227 CA PHE B 132 5.328 -5.802 -6.726 1.00 0.00 C ATOM 1228 C PHE B 132 4.452 -4.648 -7.244 1.00 0.00 C ATOM 1229 O PHE B 132 4.951 -3.543 -7.455 1.00 0.00 O ATOM 1230 CB PHE B 132 4.599 -7.153 -6.804 1.00 0.00 C ATOM 1231 CG PHE B 132 4.004 -7.614 -5.501 1.00 0.00 C ATOM 1232 CD1 PHE B 132 4.785 -8.272 -4.564 1.00 0.00 C ATOM 1233 CD2 PHE B 132 2.666 -7.405 -5.222 1.00 0.00 C ATOM 1234 CE1 PHE B 132 4.241 -8.709 -3.371 1.00 0.00 C ATOM 1235 CE2 PHE B 132 2.115 -7.842 -4.032 1.00 0.00 C ATOM 1236 CZ PHE B 132 2.904 -8.494 -3.105 1.00 0.00 C ATOM 0 HA PHE B 132 6.198 -5.848 -7.381 1.00 0.00 H new ATOM 0 HB2 PHE B 132 3.805 -7.081 -7.547 1.00 0.00 H new ATOM 0 HB3 PHE B 132 5.299 -7.910 -7.158 1.00 0.00 H new ATOM 0 HD1 PHE B 132 5.831 -8.445 -4.769 1.00 0.00 H new ATOM 0 HD2 PHE B 132 2.044 -6.894 -5.942 1.00 0.00 H new ATOM 0 HE1 PHE B 132 4.861 -9.218 -2.648 1.00 0.00 H new ATOM 0 HE2 PHE B 132 1.068 -7.674 -3.827 1.00 0.00 H new ATOM 0 HZ PHE B 132 2.476 -8.835 -2.174 1.00 0.00 H new ATOM 1246 N ASP B 133 3.158 -4.897 -7.460 1.00 0.00 N ATOM 1247 CA ASP B 133 2.255 -3.865 -7.963 1.00 0.00 C ATOM 1248 C ASP B 133 1.984 -2.795 -6.907 1.00 0.00 C ATOM 1249 O ASP B 133 1.382 -1.762 -7.201 1.00 0.00 O ATOM 1250 CB ASP B 133 0.936 -4.492 -8.417 1.00 0.00 C ATOM 1251 CG ASP B 133 1.017 -5.055 -9.822 1.00 0.00 C ATOM 1252 OD1 ASP B 133 1.470 -6.209 -9.974 1.00 0.00 O ATOM 1253 OD2 ASP B 133 0.628 -4.342 -10.771 1.00 0.00 O ATOM 0 H ASP B 133 2.716 -5.801 -7.295 1.00 0.00 H new ATOM 0 HA ASP B 133 2.740 -3.386 -8.813 1.00 0.00 H new ATOM 0 HB2 ASP B 133 0.658 -5.287 -7.725 1.00 0.00 H new ATOM 0 HB3 ASP B 133 0.146 -3.742 -8.374 1.00 0.00 H new ATOM 1258 N LEU B 134 2.431 -3.046 -5.682 1.00 0.00 N ATOM 1259 CA LEU B 134 2.236 -2.101 -4.592 1.00 0.00 C ATOM 1260 C LEU B 134 3.025 -0.825 -4.845 1.00 0.00 C ATOM 1261 O LEU B 134 2.557 0.278 -4.566 1.00 0.00 O ATOM 1262 CB LEU B 134 2.679 -2.726 -3.270 1.00 0.00 C ATOM 1263 CG LEU B 134 1.768 -3.829 -2.731 1.00 0.00 C ATOM 1264 CD1 LEU B 134 1.597 -4.932 -3.765 1.00 0.00 C ATOM 1265 CD2 LEU B 134 2.330 -4.397 -1.438 1.00 0.00 C ATOM 0 H LEU B 134 2.931 -3.896 -5.420 1.00 0.00 H new ATOM 0 HA LEU B 134 1.176 -1.854 -4.536 1.00 0.00 H new ATOM 0 HB2 LEU B 134 3.681 -3.136 -3.398 1.00 0.00 H new ATOM 0 HB3 LEU B 134 2.750 -1.938 -2.520 1.00 0.00 H new ATOM 0 HG LEU B 134 0.789 -3.396 -2.523 1.00 0.00 H new ATOM 0 HD11 LEU B 134 0.946 -5.709 -3.364 1.00 0.00 H new ATOM 0 HD12 LEU B 134 1.153 -4.517 -4.670 1.00 0.00 H new ATOM 0 HD13 LEU B 134 2.570 -5.362 -4.003 1.00 0.00 H new ATOM 0 HD21 LEU B 134 1.670 -5.181 -1.068 1.00 0.00 H new ATOM 0 HD22 LEU B 134 3.320 -4.814 -1.624 1.00 0.00 H new ATOM 0 HD23 LEU B 134 2.404 -3.604 -0.694 1.00 0.00 H new ATOM 1277 N ARG B 135 4.229 -0.991 -5.375 1.00 0.00 N ATOM 1278 CA ARG B 135 5.100 0.139 -5.672 1.00 0.00 C ATOM 1279 C ARG B 135 4.491 1.026 -6.752 1.00 0.00 C ATOM 1280 O ARG B 135 4.468 2.250 -6.623 1.00 0.00 O ATOM 1281 CB ARG B 135 6.478 -0.359 -6.118 1.00 0.00 C ATOM 1282 CG ARG B 135 7.393 0.745 -6.625 1.00 0.00 C ATOM 1283 CD ARG B 135 8.856 0.345 -6.525 1.00 0.00 C ATOM 1284 NE ARG B 135 9.716 1.215 -7.324 1.00 0.00 N ATOM 1285 CZ ARG B 135 11.035 1.298 -7.167 1.00 0.00 C ATOM 1286 NH1 ARG B 135 11.649 0.569 -6.243 1.00 0.00 N ATOM 1287 NH2 ARG B 135 11.743 2.114 -7.937 1.00 0.00 N ATOM 0 H ARG B 135 4.626 -1.901 -5.609 1.00 0.00 H new ATOM 0 HA ARG B 135 5.211 0.731 -4.764 1.00 0.00 H new ATOM 0 HB2 ARG B 135 6.961 -0.863 -5.281 1.00 0.00 H new ATOM 0 HB3 ARG B 135 6.349 -1.102 -6.905 1.00 0.00 H new ATOM 0 HG2 ARG B 135 7.148 0.975 -7.662 1.00 0.00 H new ATOM 0 HG3 ARG B 135 7.223 1.654 -6.048 1.00 0.00 H new ATOM 0 HD2 ARG B 135 9.172 0.381 -5.482 1.00 0.00 H new ATOM 0 HD3 ARG B 135 8.974 -0.686 -6.858 1.00 0.00 H new ATOM 0 HE ARG B 135 9.280 1.792 -8.044 1.00 0.00 H new ATOM 0 HH11 ARG B 135 11.110 -0.060 -5.648 1.00 0.00 H new ATOM 0 HH12 ARG B 135 12.660 0.638 -6.128 1.00 0.00 H new ATOM 0 HH21 ARG B 135 11.276 2.677 -8.648 1.00 0.00 H new ATOM 0 HH22 ARG B 135 12.754 2.179 -7.818 1.00 0.00 H new ATOM 1301 N GLY B 136 4.003 0.404 -7.818 1.00 0.00 N ATOM 1302 CA GLY B 136 3.406 1.158 -8.901 1.00 0.00 C ATOM 1303 C GLY B 136 2.140 1.875 -8.478 1.00 0.00 C ATOM 1304 O GLY B 136 1.503 1.497 -7.495 1.00 0.00 O ATOM 0 H GLY B 136 4.010 -0.607 -7.951 1.00 0.00 H new ATOM 0 HA2 GLY B 136 4.126 1.887 -9.272 1.00 0.00 H new ATOM 0 HA3 GLY B 136 3.180 0.484 -9.727 1.00 0.00 H new ATOM 1308 N LYS B 137 1.775 2.916 -9.220 1.00 0.00 N ATOM 1309 CA LYS B 137 0.577 3.689 -8.914 1.00 0.00 C ATOM 1310 C LYS B 137 0.670 4.306 -7.522 1.00 0.00 C ATOM 1311 O LYS B 137 -0.344 4.528 -6.860 1.00 0.00 O ATOM 1312 CB LYS B 137 -0.666 2.802 -9.009 1.00 0.00 C ATOM 1313 CG LYS B 137 -0.729 1.977 -10.284 1.00 0.00 C ATOM 1314 CD LYS B 137 -1.642 2.616 -11.318 1.00 0.00 C ATOM 1315 CE LYS B 137 -1.050 3.906 -11.863 1.00 0.00 C ATOM 1316 NZ LYS B 137 -1.795 4.404 -13.053 1.00 0.00 N ATOM 0 H LYS B 137 2.291 3.243 -10.037 1.00 0.00 H new ATOM 0 HA LYS B 137 0.497 4.494 -9.645 1.00 0.00 H new ATOM 0 HB2 LYS B 137 -0.690 2.131 -8.150 1.00 0.00 H new ATOM 0 HB3 LYS B 137 -1.555 3.429 -8.948 1.00 0.00 H new ATOM 0 HG2 LYS B 137 0.273 1.870 -10.699 1.00 0.00 H new ATOM 0 HG3 LYS B 137 -1.087 0.974 -10.052 1.00 0.00 H new ATOM 0 HD2 LYS B 137 -1.811 1.917 -12.137 1.00 0.00 H new ATOM 0 HD3 LYS B 137 -2.614 2.822 -10.869 1.00 0.00 H new ATOM 0 HE2 LYS B 137 -1.062 4.668 -11.083 1.00 0.00 H new ATOM 0 HE3 LYS B 137 -0.007 3.741 -12.132 1.00 0.00 H new ATOM 0 HZ1 LYS B 137 -1.358 5.285 -13.392 1.00 0.00 H new ATOM 0 HZ2 LYS B 137 -1.763 3.689 -13.807 1.00 0.00 H new ATOM 0 HZ3 LYS B 137 -2.785 4.587 -12.791 1.00 0.00 H new ATOM 1330 N PHE B 138 1.895 4.580 -7.083 1.00 0.00 N ATOM 1331 CA PHE B 138 2.124 5.171 -5.770 1.00 0.00 C ATOM 1332 C PHE B 138 3.185 6.265 -5.845 1.00 0.00 C ATOM 1333 O PHE B 138 3.916 6.502 -4.884 1.00 0.00 O ATOM 1334 CB PHE B 138 2.553 4.093 -4.772 1.00 0.00 C ATOM 1335 CG PHE B 138 1.413 3.515 -3.984 1.00 0.00 C ATOM 1336 CD1 PHE B 138 0.968 4.133 -2.826 1.00 0.00 C ATOM 1337 CD2 PHE B 138 0.786 2.354 -4.403 1.00 0.00 C ATOM 1338 CE1 PHE B 138 -0.081 3.602 -2.101 1.00 0.00 C ATOM 1339 CE2 PHE B 138 -0.263 1.817 -3.682 1.00 0.00 C ATOM 1340 CZ PHE B 138 -0.697 2.442 -2.529 1.00 0.00 C ATOM 0 H PHE B 138 2.745 4.402 -7.618 1.00 0.00 H new ATOM 0 HA PHE B 138 1.190 5.619 -5.431 1.00 0.00 H new ATOM 0 HB2 PHE B 138 3.055 3.290 -5.311 1.00 0.00 H new ATOM 0 HB3 PHE B 138 3.282 4.518 -4.082 1.00 0.00 H new ATOM 0 HD1 PHE B 138 1.447 5.040 -2.487 1.00 0.00 H new ATOM 0 HD2 PHE B 138 1.121 1.862 -5.304 1.00 0.00 H new ATOM 0 HE1 PHE B 138 -0.419 4.093 -1.201 1.00 0.00 H new ATOM 0 HE2 PHE B 138 -0.743 0.910 -4.019 1.00 0.00 H new ATOM 0 HZ PHE B 138 -1.517 2.024 -1.963 1.00 0.00 H new