USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 479 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 141 SER OG : rot 25:sc= -0.738 USER MOD Set 1.2: A 157 MET CE :methyl 164:sc= -9.68! (180deg=-10.3!) USER MOD Single : A 100 ASN : amide:sc= -0.0159 X(o=-0.016,f=-0.52) USER MOD Single : A 101 CYS SG : rot 56:sc= 1.03 USER MOD Single : A 107 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0588) USER MOD Single : A 108 ASN : amide:sc= -0.0252 X(o=-0.025,f=-0.025) USER MOD Single : A 125 THR OG1 : rot -51:sc= 1.21 USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=-0.0082) USER MOD Single : A 138 MET CE :methyl -148:sc= -2.76 (180deg=-4.09) USER MOD Single : A 139 LYS NZ :NH3+ -138:sc= 0.368 (180deg=0.00579) USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 ASN :FLIP amide:sc= -2.4 F(o=-4.8!,f=-2.4) USER MOD Single : A 145 ASN : amide:sc= -0.076 K(o=-0.076,f=-2.6!) USER MOD Single : A 156 LYS NZ :NH3+ -173:sc= 1.15 (180deg=1) USER MOD Single : A 158 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 115 N GLU A 96 58.450 15.442 4.917 1.00 0.00 N ATOM 116 CA GLU A 96 57.123 15.519 5.594 1.00 0.00 C ATOM 117 C GLU A 96 56.104 14.637 4.865 1.00 0.00 C ATOM 118 O GLU A 96 55.705 13.600 5.355 1.00 0.00 O ATOM 119 CB GLU A 96 56.718 16.991 5.507 1.00 0.00 C ATOM 120 CG GLU A 96 57.431 17.781 6.606 1.00 0.00 C ATOM 121 CD GLU A 96 58.239 18.916 5.976 1.00 0.00 C ATOM 122 OE1 GLU A 96 57.636 19.757 5.331 1.00 0.00 O ATOM 123 OE2 GLU A 96 59.446 18.926 6.151 1.00 0.00 O ATOM 0 HA GLU A 96 57.165 15.168 6.625 1.00 0.00 H new ATOM 0 HB2 GLU A 96 56.978 17.394 4.528 1.00 0.00 H new ATOM 0 HB3 GLU A 96 55.638 17.089 5.616 1.00 0.00 H new ATOM 0 HG2 GLU A 96 56.703 18.186 7.309 1.00 0.00 H new ATOM 0 HG3 GLU A 96 58.089 17.123 7.173 1.00 0.00 H new ATOM 130 N GLU A 97 55.683 15.039 3.697 1.00 0.00 N ATOM 131 CA GLU A 97 54.694 14.218 2.941 1.00 0.00 C ATOM 132 C GLU A 97 55.154 12.761 2.900 1.00 0.00 C ATOM 133 O GLU A 97 54.402 11.852 3.191 1.00 0.00 O ATOM 134 CB GLU A 97 54.674 14.815 1.534 1.00 0.00 C ATOM 135 CG GLU A 97 53.339 15.526 1.302 1.00 0.00 C ATOM 136 CD GLU A 97 53.421 16.954 1.844 1.00 0.00 C ATOM 137 OE1 GLU A 97 54.009 17.786 1.176 1.00 0.00 O ATOM 138 OE2 GLU A 97 52.894 17.189 2.919 1.00 0.00 O ATOM 0 H GLU A 97 55.980 15.898 3.234 1.00 0.00 H new ATOM 0 HA GLU A 97 53.705 14.231 3.399 1.00 0.00 H new ATOM 0 HB2 GLU A 97 55.498 15.518 1.414 1.00 0.00 H new ATOM 0 HB3 GLU A 97 54.814 14.029 0.792 1.00 0.00 H new ATOM 0 HG2 GLU A 97 53.104 15.542 0.238 1.00 0.00 H new ATOM 0 HG3 GLU A 97 52.535 14.983 1.798 1.00 0.00 H new ATOM 145 N LEU A 98 56.389 12.534 2.548 1.00 0.00 N ATOM 146 CA LEU A 98 56.908 11.138 2.491 1.00 0.00 C ATOM 147 C LEU A 98 56.609 10.413 3.806 1.00 0.00 C ATOM 148 O LEU A 98 55.906 9.423 3.837 1.00 0.00 O ATOM 149 CB LEU A 98 58.418 11.292 2.293 1.00 0.00 C ATOM 150 CG LEU A 98 58.746 11.420 0.799 1.00 0.00 C ATOM 151 CD1 LEU A 98 58.745 10.031 0.155 1.00 0.00 C ATOM 152 CD2 LEU A 98 57.701 12.302 0.105 1.00 0.00 C ATOM 0 H LEU A 98 57.063 13.257 2.297 1.00 0.00 H new ATOM 0 HA LEU A 98 56.448 10.553 1.694 1.00 0.00 H new ATOM 0 HB2 LEU A 98 58.774 12.172 2.828 1.00 0.00 H new ATOM 0 HB3 LEU A 98 58.937 10.431 2.714 1.00 0.00 H new ATOM 0 HG LEU A 98 59.730 11.876 0.689 1.00 0.00 H new ATOM 0 HD11 LEU A 98 58.978 10.122 -0.906 1.00 0.00 H new ATOM 0 HD12 LEU A 98 59.495 9.405 0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 98 57.762 9.576 0.273 1.00 0.00 H new ATOM 0 HD21 LEU A 98 57.942 12.387 -0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 98 56.714 11.854 0.218 1.00 0.00 H new ATOM 0 HD23 LEU A 98 57.703 13.293 0.558 1.00 0.00 H new ATOM 164 N ALA A 99 57.139 10.902 4.896 1.00 0.00 N ATOM 165 CA ALA A 99 56.883 10.244 6.209 1.00 0.00 C ATOM 166 C ALA A 99 55.390 9.947 6.370 1.00 0.00 C ATOM 167 O ALA A 99 54.996 8.838 6.667 1.00 0.00 O ATOM 168 CB ALA A 99 57.343 11.259 7.256 1.00 0.00 C ATOM 0 H ALA A 99 57.737 11.727 4.933 1.00 0.00 H new ATOM 0 HA ALA A 99 57.408 9.293 6.304 1.00 0.00 H new ATOM 0 HB1 ALA A 99 57.187 10.849 8.254 1.00 0.00 H new ATOM 0 HB2 ALA A 99 58.402 11.474 7.114 1.00 0.00 H new ATOM 0 HB3 ALA A 99 56.768 12.179 7.148 1.00 0.00 H new ATOM 174 N ASN A 100 54.559 10.934 6.176 1.00 0.00 N ATOM 175 CA ASN A 100 53.091 10.713 6.318 1.00 0.00 C ATOM 176 C ASN A 100 52.657 9.503 5.486 1.00 0.00 C ATOM 177 O ASN A 100 51.760 8.772 5.859 1.00 0.00 O ATOM 178 CB ASN A 100 52.447 11.992 5.782 1.00 0.00 C ATOM 179 CG ASN A 100 52.562 13.100 6.832 1.00 0.00 C ATOM 180 OD1 ASN A 100 52.298 12.878 7.998 1.00 0.00 O ATOM 181 ND2 ASN A 100 52.946 14.293 6.466 1.00 0.00 N ATOM 0 H ASN A 100 54.833 11.884 5.925 1.00 0.00 H new ATOM 0 HA ASN A 100 52.800 10.510 7.349 1.00 0.00 H new ATOM 0 HB2 ASN A 100 52.937 12.299 4.858 1.00 0.00 H new ATOM 0 HB3 ASN A 100 51.399 11.811 5.542 1.00 0.00 H new ATOM 0 HD21 ASN A 100 53.024 15.038 7.158 1.00 0.00 H new ATOM 0 HD22 ASN A 100 53.168 14.480 5.488 1.00 0.00 H new ATOM 188 N CYS A 101 53.284 9.287 4.362 1.00 0.00 N ATOM 189 CA CYS A 101 52.907 8.125 3.509 1.00 0.00 C ATOM 190 C CYS A 101 53.288 6.813 4.203 1.00 0.00 C ATOM 191 O CYS A 101 52.839 5.748 3.827 1.00 0.00 O ATOM 192 CB CYS A 101 53.707 8.305 2.219 1.00 0.00 C ATOM 193 SG CYS A 101 53.342 9.926 1.505 1.00 0.00 S ATOM 0 H CYS A 101 54.041 9.865 3.998 1.00 0.00 H new ATOM 0 HA CYS A 101 51.835 8.082 3.319 1.00 0.00 H new ATOM 0 HB2 CYS A 101 54.774 8.218 2.425 1.00 0.00 H new ATOM 0 HB3 CYS A 101 53.454 7.518 1.509 1.00 0.00 H new ATOM 0 HG CYS A 101 53.592 10.853 2.382 1.00 0.00 H new ATOM 199 N PHE A 102 54.113 6.884 5.213 1.00 0.00 N ATOM 200 CA PHE A 102 54.522 5.641 5.930 1.00 0.00 C ATOM 201 C PHE A 102 53.288 4.891 6.440 1.00 0.00 C ATOM 202 O PHE A 102 53.012 3.782 6.028 1.00 0.00 O ATOM 203 CB PHE A 102 55.377 6.126 7.102 1.00 0.00 C ATOM 204 CG PHE A 102 56.031 4.942 7.774 1.00 0.00 C ATOM 205 CD1 PHE A 102 57.149 4.333 7.190 1.00 0.00 C ATOM 206 CD2 PHE A 102 55.521 4.454 8.984 1.00 0.00 C ATOM 207 CE1 PHE A 102 57.755 3.238 7.815 1.00 0.00 C ATOM 208 CE2 PHE A 102 56.128 3.357 9.608 1.00 0.00 C ATOM 209 CZ PHE A 102 57.245 2.749 9.023 1.00 0.00 C ATOM 0 H PHE A 102 54.521 7.747 5.572 1.00 0.00 H new ATOM 0 HA PHE A 102 55.066 4.952 5.284 1.00 0.00 H new ATOM 0 HB2 PHE A 102 56.137 6.822 6.747 1.00 0.00 H new ATOM 0 HB3 PHE A 102 54.758 6.667 7.818 1.00 0.00 H new ATOM 0 HD1 PHE A 102 57.543 4.709 6.257 1.00 0.00 H new ATOM 0 HD2 PHE A 102 54.660 4.924 9.436 1.00 0.00 H new ATOM 0 HE1 PHE A 102 58.618 2.769 7.365 1.00 0.00 H new ATOM 0 HE2 PHE A 102 55.734 2.980 10.540 1.00 0.00 H new ATOM 0 HZ PHE A 102 57.713 1.903 9.504 1.00 0.00 H new ATOM 219 N ARG A 103 52.545 5.487 7.333 1.00 0.00 N ATOM 220 CA ARG A 103 51.331 4.804 7.866 1.00 0.00 C ATOM 221 C ARG A 103 50.438 4.334 6.715 1.00 0.00 C ATOM 222 O ARG A 103 49.840 3.279 6.771 1.00 0.00 O ATOM 223 CB ARG A 103 50.613 5.863 8.703 1.00 0.00 C ATOM 224 CG ARG A 103 50.344 7.100 7.844 1.00 0.00 C ATOM 225 CD ARG A 103 49.662 8.174 8.695 1.00 0.00 C ATOM 226 NE ARG A 103 50.750 9.121 9.063 1.00 0.00 N ATOM 227 CZ ARG A 103 50.540 10.035 9.969 1.00 0.00 C ATOM 228 NH1 ARG A 103 49.321 10.379 10.278 1.00 0.00 N ATOM 229 NH2 ARG A 103 51.549 10.606 10.568 1.00 0.00 N ATOM 0 H ARG A 103 52.725 6.415 7.716 1.00 0.00 H new ATOM 0 HA ARG A 103 51.581 3.921 8.454 1.00 0.00 H new ATOM 0 HB2 ARG A 103 49.674 5.463 9.087 1.00 0.00 H new ATOM 0 HB3 ARG A 103 51.221 6.133 9.566 1.00 0.00 H new ATOM 0 HG2 ARG A 103 51.280 7.483 7.437 1.00 0.00 H new ATOM 0 HG3 ARG A 103 49.711 6.837 6.996 1.00 0.00 H new ATOM 0 HD2 ARG A 103 48.872 8.677 8.137 1.00 0.00 H new ATOM 0 HD3 ARG A 103 49.199 7.740 9.582 1.00 0.00 H new ATOM 0 HE ARG A 103 51.660 9.055 8.606 1.00 0.00 H new ATOM 0 HH11 ARG A 103 48.531 9.933 9.811 1.00 0.00 H new ATOM 0 HH12 ARG A 103 49.157 11.094 10.987 1.00 0.00 H new ATOM 0 HH21 ARG A 103 52.503 10.337 10.328 1.00 0.00 H new ATOM 0 HH22 ARG A 103 51.383 11.321 11.277 1.00 0.00 H new ATOM 243 N ILE A 104 50.342 5.112 5.671 1.00 0.00 N ATOM 244 CA ILE A 104 49.488 4.710 4.518 1.00 0.00 C ATOM 245 C ILE A 104 49.946 3.357 3.965 1.00 0.00 C ATOM 246 O ILE A 104 49.147 2.480 3.704 1.00 0.00 O ATOM 247 CB ILE A 104 49.689 5.814 3.479 1.00 0.00 C ATOM 248 CG1 ILE A 104 48.981 7.086 3.951 1.00 0.00 C ATOM 249 CG2 ILE A 104 49.101 5.372 2.140 1.00 0.00 C ATOM 250 CD1 ILE A 104 47.531 6.759 4.314 1.00 0.00 C ATOM 0 H ILE A 104 50.818 6.008 5.567 1.00 0.00 H new ATOM 0 HA ILE A 104 48.440 4.597 4.796 1.00 0.00 H new ATOM 0 HB ILE A 104 50.754 6.010 3.358 1.00 0.00 H new ATOM 0 HG12 ILE A 104 49.498 7.503 4.815 1.00 0.00 H new ATOM 0 HG13 ILE A 104 49.009 7.843 3.167 1.00 0.00 H new ATOM 0 HG21 ILE A 104 49.245 6.160 1.401 1.00 0.00 H new ATOM 0 HG22 ILE A 104 49.602 4.464 1.805 1.00 0.00 H new ATOM 0 HG23 ILE A 104 48.035 5.176 2.258 1.00 0.00 H new ATOM 0 HD11 ILE A 104 47.027 7.665 4.650 1.00 0.00 H new ATOM 0 HD12 ILE A 104 47.018 6.362 3.439 1.00 0.00 H new ATOM 0 HD13 ILE A 104 47.514 6.017 5.112 1.00 0.00 H new ATOM 262 N PHE A 105 51.228 3.181 3.787 1.00 0.00 N ATOM 263 CA PHE A 105 51.734 1.882 3.254 1.00 0.00 C ATOM 264 C PHE A 105 51.463 0.758 4.259 1.00 0.00 C ATOM 265 O PHE A 105 50.871 -0.250 3.933 1.00 0.00 O ATOM 266 CB PHE A 105 53.240 2.085 3.080 1.00 0.00 C ATOM 267 CG PHE A 105 53.571 2.224 1.614 1.00 0.00 C ATOM 268 CD1 PHE A 105 52.680 2.870 0.749 1.00 0.00 C ATOM 269 CD2 PHE A 105 54.774 1.704 1.118 1.00 0.00 C ATOM 270 CE1 PHE A 105 52.991 2.998 -0.610 1.00 0.00 C ATOM 271 CE2 PHE A 105 55.084 1.831 -0.240 1.00 0.00 C ATOM 272 CZ PHE A 105 54.193 2.478 -1.105 1.00 0.00 C ATOM 0 H PHE A 105 51.945 3.878 3.987 1.00 0.00 H new ATOM 0 HA PHE A 105 51.247 1.602 2.320 1.00 0.00 H new ATOM 0 HB2 PHE A 105 53.561 2.975 3.621 1.00 0.00 H new ATOM 0 HB3 PHE A 105 53.782 1.241 3.506 1.00 0.00 H new ATOM 0 HD1 PHE A 105 51.752 3.270 1.130 1.00 0.00 H new ATOM 0 HD2 PHE A 105 55.462 1.205 1.784 1.00 0.00 H new ATOM 0 HE1 PHE A 105 52.304 3.498 -1.277 1.00 0.00 H new ATOM 0 HE2 PHE A 105 56.011 1.430 -0.622 1.00 0.00 H new ATOM 0 HZ PHE A 105 54.433 2.576 -2.153 1.00 0.00 H new ATOM 282 N ASP A 106 51.899 0.928 5.478 1.00 0.00 N ATOM 283 CA ASP A 106 51.675 -0.128 6.506 1.00 0.00 C ATOM 284 C ASP A 106 50.178 -0.305 6.776 1.00 0.00 C ATOM 285 O ASP A 106 49.411 0.637 6.724 1.00 0.00 O ATOM 286 CB ASP A 106 52.387 0.382 7.760 1.00 0.00 C ATOM 287 CG ASP A 106 52.710 -0.797 8.681 1.00 0.00 C ATOM 288 OD1 ASP A 106 52.383 -1.915 8.317 1.00 0.00 O ATOM 289 OD2 ASP A 106 53.279 -0.563 9.734 1.00 0.00 O ATOM 0 H ASP A 106 52.401 1.753 5.806 1.00 0.00 H new ATOM 0 HA ASP A 106 52.054 -1.098 6.185 1.00 0.00 H new ATOM 0 HB2 ASP A 106 53.304 0.903 7.484 1.00 0.00 H new ATOM 0 HB3 ASP A 106 51.756 1.102 8.281 1.00 0.00 H new ATOM 294 N LYS A 107 49.758 -1.505 7.069 1.00 0.00 N ATOM 295 CA LYS A 107 48.313 -1.747 7.348 1.00 0.00 C ATOM 296 C LYS A 107 48.150 -2.429 8.710 1.00 0.00 C ATOM 297 O LYS A 107 47.336 -2.035 9.520 1.00 0.00 O ATOM 298 CB LYS A 107 47.841 -2.672 6.224 1.00 0.00 C ATOM 299 CG LYS A 107 47.231 -1.836 5.095 1.00 0.00 C ATOM 300 CD LYS A 107 46.828 -2.753 3.939 1.00 0.00 C ATOM 301 CE LYS A 107 47.176 -2.081 2.608 1.00 0.00 C ATOM 302 NZ LYS A 107 46.168 -0.995 2.443 1.00 0.00 N ATOM 0 H LYS A 107 50.354 -2.331 7.127 1.00 0.00 H new ATOM 0 HA LYS A 107 47.736 -0.823 7.382 1.00 0.00 H new ATOM 0 HB2 LYS A 107 48.679 -3.258 5.845 1.00 0.00 H new ATOM 0 HB3 LYS A 107 47.104 -3.379 6.606 1.00 0.00 H new ATOM 0 HG2 LYS A 107 46.361 -1.292 5.461 1.00 0.00 H new ATOM 0 HG3 LYS A 107 47.950 -1.093 4.750 1.00 0.00 H new ATOM 0 HD2 LYS A 107 47.345 -3.709 4.022 1.00 0.00 H new ATOM 0 HD3 LYS A 107 45.759 -2.964 3.984 1.00 0.00 H new ATOM 0 HE2 LYS A 107 48.189 -1.679 2.623 1.00 0.00 H new ATOM 0 HE3 LYS A 107 47.127 -2.792 1.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 46.235 -0.602 1.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 45.214 -1.381 2.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 46.351 -0.243 3.138 1.00 0.00 H new ATOM 316 N ASN A 108 48.924 -3.448 8.968 1.00 0.00 N ATOM 317 CA ASN A 108 48.819 -4.153 10.277 1.00 0.00 C ATOM 318 C ASN A 108 49.549 -3.359 11.364 1.00 0.00 C ATOM 319 O ASN A 108 49.633 -3.777 12.501 1.00 0.00 O ATOM 320 CB ASN A 108 49.495 -5.507 10.053 1.00 0.00 C ATOM 321 CG ASN A 108 48.872 -6.193 8.836 1.00 0.00 C ATOM 322 OD1 ASN A 108 47.677 -6.417 8.795 1.00 0.00 O ATOM 323 ND2 ASN A 108 49.634 -6.539 7.835 1.00 0.00 N ATOM 0 H ASN A 108 49.625 -3.823 8.329 1.00 0.00 H new ATOM 0 HA ASN A 108 47.786 -4.264 10.606 1.00 0.00 H new ATOM 0 HB2 ASN A 108 50.565 -5.370 9.898 1.00 0.00 H new ATOM 0 HB3 ASN A 108 49.378 -6.134 10.937 1.00 0.00 H new ATOM 0 HD21 ASN A 108 49.228 -6.997 7.019 1.00 0.00 H new ATOM 0 HD22 ASN A 108 50.636 -6.352 7.868 1.00 0.00 H new ATOM 330 N ALA A 109 50.078 -2.216 11.021 1.00 0.00 N ATOM 331 CA ALA A 109 50.801 -1.396 12.034 1.00 0.00 C ATOM 332 C ALA A 109 51.930 -2.213 12.666 1.00 0.00 C ATOM 333 O ALA A 109 51.964 -2.421 13.862 1.00 0.00 O ATOM 334 CB ALA A 109 49.745 -1.042 13.082 1.00 0.00 C ATOM 0 H ALA A 109 50.041 -1.815 10.084 1.00 0.00 H new ATOM 0 HA ALA A 109 51.257 -0.507 11.598 1.00 0.00 H new ATOM 0 HB1 ALA A 109 50.199 -0.436 13.866 1.00 0.00 H new ATOM 0 HB2 ALA A 109 48.939 -0.480 12.611 1.00 0.00 H new ATOM 0 HB3 ALA A 109 49.343 -1.957 13.517 1.00 0.00 H new ATOM 340 N ASP A 110 52.856 -2.677 11.871 1.00 0.00 N ATOM 341 CA ASP A 110 53.984 -3.478 12.430 1.00 0.00 C ATOM 342 C ASP A 110 55.161 -2.563 12.774 1.00 0.00 C ATOM 343 O ASP A 110 56.012 -2.904 13.571 1.00 0.00 O ATOM 344 CB ASP A 110 54.372 -4.453 11.316 1.00 0.00 C ATOM 345 CG ASP A 110 53.109 -5.054 10.694 1.00 0.00 C ATOM 346 OD1 ASP A 110 52.615 -6.033 11.232 1.00 0.00 O ATOM 347 OD2 ASP A 110 52.657 -4.528 9.691 1.00 0.00 O ATOM 0 H ASP A 110 52.881 -2.537 10.861 1.00 0.00 H new ATOM 0 HA ASP A 110 53.705 -3.998 13.347 1.00 0.00 H new ATOM 0 HB2 ASP A 110 54.954 -3.936 10.553 1.00 0.00 H new ATOM 0 HB3 ASP A 110 55.004 -5.245 11.717 1.00 0.00 H new ATOM 352 N GLY A 111 55.219 -1.403 12.178 1.00 0.00 N ATOM 353 CA GLY A 111 56.345 -0.470 12.469 1.00 0.00 C ATOM 354 C GLY A 111 57.406 -0.598 11.375 1.00 0.00 C ATOM 355 O GLY A 111 58.268 0.246 11.230 1.00 0.00 O ATOM 0 H GLY A 111 54.536 -1.061 11.502 1.00 0.00 H new ATOM 0 HA2 GLY A 111 55.979 0.556 12.518 1.00 0.00 H new ATOM 0 HA3 GLY A 111 56.780 -0.700 13.442 1.00 0.00 H new ATOM 359 N PHE A 112 57.348 -1.648 10.604 1.00 0.00 N ATOM 360 CA PHE A 112 58.352 -1.833 9.517 1.00 0.00 C ATOM 361 C PHE A 112 57.753 -2.676 8.387 1.00 0.00 C ATOM 362 O PHE A 112 57.185 -3.725 8.618 1.00 0.00 O ATOM 363 CB PHE A 112 59.521 -2.562 10.181 1.00 0.00 C ATOM 364 CG PHE A 112 60.244 -1.605 11.098 1.00 0.00 C ATOM 365 CD1 PHE A 112 60.795 -0.427 10.580 1.00 0.00 C ATOM 366 CD2 PHE A 112 60.357 -1.889 12.465 1.00 0.00 C ATOM 367 CE1 PHE A 112 61.461 0.467 11.427 1.00 0.00 C ATOM 368 CE2 PHE A 112 61.025 -0.994 13.312 1.00 0.00 C ATOM 369 CZ PHE A 112 61.575 0.184 12.793 1.00 0.00 C ATOM 0 H PHE A 112 56.649 -2.387 10.679 1.00 0.00 H new ATOM 0 HA PHE A 112 58.666 -0.889 9.072 1.00 0.00 H new ATOM 0 HB2 PHE A 112 59.157 -3.421 10.745 1.00 0.00 H new ATOM 0 HB3 PHE A 112 60.204 -2.945 9.423 1.00 0.00 H new ATOM 0 HD1 PHE A 112 60.706 -0.208 9.526 1.00 0.00 H new ATOM 0 HD2 PHE A 112 59.930 -2.796 12.866 1.00 0.00 H new ATOM 0 HE1 PHE A 112 61.887 1.375 11.026 1.00 0.00 H new ATOM 0 HE2 PHE A 112 61.115 -1.213 14.366 1.00 0.00 H new ATOM 0 HZ PHE A 112 62.087 0.874 13.447 1.00 0.00 H new ATOM 379 N ILE A 113 57.865 -2.220 7.169 1.00 0.00 N ATOM 380 CA ILE A 113 57.292 -2.990 6.027 1.00 0.00 C ATOM 381 C ILE A 113 58.254 -4.097 5.586 1.00 0.00 C ATOM 382 O ILE A 113 59.402 -3.847 5.274 1.00 0.00 O ATOM 383 CB ILE A 113 57.113 -1.963 4.908 1.00 0.00 C ATOM 384 CG1 ILE A 113 56.363 -0.743 5.447 1.00 0.00 C ATOM 385 CG2 ILE A 113 56.313 -2.588 3.764 1.00 0.00 C ATOM 386 CD1 ILE A 113 57.104 0.532 5.040 1.00 0.00 C ATOM 0 H ILE A 113 58.328 -1.348 6.915 1.00 0.00 H new ATOM 0 HA ILE A 113 56.354 -3.477 6.293 1.00 0.00 H new ATOM 0 HB ILE A 113 58.092 -1.654 4.541 1.00 0.00 H new ATOM 0 HG12 ILE A 113 55.346 -0.726 5.056 1.00 0.00 H new ATOM 0 HG13 ILE A 113 56.286 -0.801 6.533 1.00 0.00 H new ATOM 0 HG21 ILE A 113 56.186 -1.856 2.967 1.00 0.00 H new ATOM 0 HG22 ILE A 113 56.848 -3.456 3.378 1.00 0.00 H new ATOM 0 HG23 ILE A 113 55.335 -2.898 4.131 1.00 0.00 H new ATOM 0 HD11 ILE A 113 56.570 1.401 5.424 1.00 0.00 H new ATOM 0 HD12 ILE A 113 58.113 0.514 5.453 1.00 0.00 H new ATOM 0 HD13 ILE A 113 57.158 0.590 3.953 1.00 0.00 H new ATOM 398 N ASP A 114 57.790 -5.317 5.550 1.00 0.00 N ATOM 399 CA ASP A 114 58.673 -6.441 5.120 1.00 0.00 C ATOM 400 C ASP A 114 58.312 -6.869 3.695 1.00 0.00 C ATOM 401 O ASP A 114 57.732 -6.114 2.940 1.00 0.00 O ATOM 402 CB ASP A 114 58.391 -7.572 6.110 1.00 0.00 C ATOM 403 CG ASP A 114 56.983 -8.120 5.871 1.00 0.00 C ATOM 404 OD1 ASP A 114 56.034 -7.397 6.130 1.00 0.00 O ATOM 405 OD2 ASP A 114 56.875 -9.255 5.435 1.00 0.00 O ATOM 0 H ASP A 114 56.838 -5.585 5.800 1.00 0.00 H new ATOM 0 HA ASP A 114 59.727 -6.164 5.115 1.00 0.00 H new ATOM 0 HB2 ASP A 114 59.127 -8.367 5.990 1.00 0.00 H new ATOM 0 HB3 ASP A 114 58.481 -7.206 7.133 1.00 0.00 H new ATOM 410 N ILE A 115 58.645 -8.075 3.320 1.00 0.00 N ATOM 411 CA ILE A 115 58.311 -8.542 1.943 1.00 0.00 C ATOM 412 C ILE A 115 56.818 -8.868 1.849 1.00 0.00 C ATOM 413 O ILE A 115 56.179 -8.618 0.847 1.00 0.00 O ATOM 414 CB ILE A 115 59.152 -9.802 1.734 1.00 0.00 C ATOM 415 CG1 ILE A 115 59.156 -10.168 0.248 1.00 0.00 C ATOM 416 CG2 ILE A 115 58.556 -10.959 2.541 1.00 0.00 C ATOM 417 CD1 ILE A 115 60.452 -9.675 -0.396 1.00 0.00 C ATOM 0 H ILE A 115 59.132 -8.755 3.905 1.00 0.00 H new ATOM 0 HA ILE A 115 58.521 -7.786 1.186 1.00 0.00 H new ATOM 0 HB ILE A 115 60.172 -9.616 2.069 1.00 0.00 H new ATOM 0 HG12 ILE A 115 59.066 -11.248 0.128 1.00 0.00 H new ATOM 0 HG13 ILE A 115 58.297 -9.719 -0.250 1.00 0.00 H new ATOM 0 HG21 ILE A 115 59.157 -11.856 2.390 1.00 0.00 H new ATOM 0 HG22 ILE A 115 58.551 -10.699 3.600 1.00 0.00 H new ATOM 0 HG23 ILE A 115 57.535 -11.147 2.208 1.00 0.00 H new ATOM 0 HD11 ILE A 115 60.455 -9.936 -1.454 1.00 0.00 H new ATOM 0 HD12 ILE A 115 60.523 -8.593 -0.289 1.00 0.00 H new ATOM 0 HD13 ILE A 115 61.304 -10.145 0.095 1.00 0.00 H new ATOM 429 N GLU A 116 56.259 -9.424 2.889 1.00 0.00 N ATOM 430 CA GLU A 116 54.808 -9.767 2.864 1.00 0.00 C ATOM 431 C GLU A 116 53.978 -8.522 2.535 1.00 0.00 C ATOM 432 O GLU A 116 53.062 -8.567 1.737 1.00 0.00 O ATOM 433 CB GLU A 116 54.496 -10.260 4.277 1.00 0.00 C ATOM 434 CG GLU A 116 55.274 -11.547 4.555 1.00 0.00 C ATOM 435 CD GLU A 116 54.833 -12.126 5.901 1.00 0.00 C ATOM 436 OE1 GLU A 116 53.676 -11.951 6.248 1.00 0.00 O ATOM 437 OE2 GLU A 116 55.660 -12.734 6.562 1.00 0.00 O ATOM 0 H GLU A 116 56.744 -9.656 3.756 1.00 0.00 H new ATOM 0 HA GLU A 116 54.572 -10.516 2.108 1.00 0.00 H new ATOM 0 HB2 GLU A 116 54.764 -9.496 5.007 1.00 0.00 H new ATOM 0 HB3 GLU A 116 53.426 -10.440 4.382 1.00 0.00 H new ATOM 0 HG2 GLU A 116 55.097 -12.271 3.760 1.00 0.00 H new ATOM 0 HG3 GLU A 116 56.345 -11.342 4.568 1.00 0.00 H new ATOM 444 N GLU A 117 54.289 -7.411 3.144 1.00 0.00 N ATOM 445 CA GLU A 117 53.517 -6.167 2.866 1.00 0.00 C ATOM 446 C GLU A 117 53.692 -5.746 1.404 1.00 0.00 C ATOM 447 O GLU A 117 52.744 -5.385 0.736 1.00 0.00 O ATOM 448 CB GLU A 117 54.114 -5.117 3.804 1.00 0.00 C ATOM 449 CG GLU A 117 53.383 -5.161 5.148 1.00 0.00 C ATOM 450 CD GLU A 117 52.825 -3.775 5.470 1.00 0.00 C ATOM 451 OE1 GLU A 117 51.742 -3.470 5.000 1.00 0.00 O ATOM 452 OE2 GLU A 117 53.491 -3.040 6.182 1.00 0.00 O ATOM 0 H GLU A 117 55.044 -7.311 3.822 1.00 0.00 H new ATOM 0 HA GLU A 117 52.447 -6.300 3.028 1.00 0.00 H new ATOM 0 HB2 GLU A 117 55.178 -5.306 3.950 1.00 0.00 H new ATOM 0 HB3 GLU A 117 54.025 -4.125 3.361 1.00 0.00 H new ATOM 0 HG2 GLU A 117 52.574 -5.891 5.110 1.00 0.00 H new ATOM 0 HG3 GLU A 117 54.065 -5.482 5.935 1.00 0.00 H new ATOM 459 N LEU A 118 54.897 -5.785 0.904 1.00 0.00 N ATOM 460 CA LEU A 118 55.129 -5.384 -0.514 1.00 0.00 C ATOM 461 C LEU A 118 54.261 -6.226 -1.456 1.00 0.00 C ATOM 462 O LEU A 118 53.809 -5.758 -2.481 1.00 0.00 O ATOM 463 CB LEU A 118 56.612 -5.656 -0.768 1.00 0.00 C ATOM 464 CG LEU A 118 57.291 -4.377 -1.261 1.00 0.00 C ATOM 465 CD1 LEU A 118 56.473 -3.774 -2.405 1.00 0.00 C ATOM 466 CD2 LEU A 118 57.378 -3.368 -0.113 1.00 0.00 C ATOM 0 H LEU A 118 55.730 -6.077 1.415 1.00 0.00 H new ATOM 0 HA LEU A 118 54.869 -4.341 -0.692 1.00 0.00 H new ATOM 0 HB2 LEU A 118 57.090 -6.004 0.148 1.00 0.00 H new ATOM 0 HB3 LEU A 118 56.725 -6.448 -1.508 1.00 0.00 H new ATOM 0 HG LEU A 118 58.295 -4.613 -1.614 1.00 0.00 H new ATOM 0 HD11 LEU A 118 56.956 -2.863 -2.757 1.00 0.00 H new ATOM 0 HD12 LEU A 118 56.410 -4.490 -3.224 1.00 0.00 H new ATOM 0 HD13 LEU A 118 55.470 -3.539 -2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 118 57.862 -2.457 -0.465 1.00 0.00 H new ATOM 0 HD22 LEU A 118 56.374 -3.132 0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 118 57.960 -3.795 0.704 1.00 0.00 H new ATOM 478 N GLY A 119 54.033 -7.466 -1.118 1.00 0.00 N ATOM 479 CA GLY A 119 53.203 -8.339 -1.997 1.00 0.00 C ATOM 480 C GLY A 119 51.762 -7.824 -2.034 1.00 0.00 C ATOM 481 O GLY A 119 51.323 -7.255 -3.012 1.00 0.00 O ATOM 0 H GLY A 119 54.385 -7.912 -0.271 1.00 0.00 H new ATOM 0 HA2 GLY A 119 53.618 -8.355 -3.005 1.00 0.00 H new ATOM 0 HA3 GLY A 119 53.222 -9.364 -1.628 1.00 0.00 H new ATOM 485 N GLU A 120 51.021 -8.027 -0.981 1.00 0.00 N ATOM 486 CA GLU A 120 49.604 -7.558 -0.962 1.00 0.00 C ATOM 487 C GLU A 120 49.481 -6.157 -1.577 1.00 0.00 C ATOM 488 O GLU A 120 48.780 -5.962 -2.551 1.00 0.00 O ATOM 489 CB GLU A 120 49.195 -7.543 0.516 1.00 0.00 C ATOM 490 CG GLU A 120 50.321 -6.961 1.380 1.00 0.00 C ATOM 491 CD GLU A 120 49.880 -5.616 1.961 1.00 0.00 C ATOM 492 OE1 GLU A 120 48.792 -5.175 1.630 1.00 0.00 O ATOM 493 OE2 GLU A 120 50.641 -5.049 2.728 1.00 0.00 O ATOM 0 H GLU A 120 51.334 -8.497 -0.132 1.00 0.00 H new ATOM 0 HA GLU A 120 48.959 -8.209 -1.551 1.00 0.00 H new ATOM 0 HB2 GLU A 120 48.289 -6.951 0.642 1.00 0.00 H new ATOM 0 HB3 GLU A 120 48.963 -8.556 0.845 1.00 0.00 H new ATOM 0 HG2 GLU A 120 50.569 -7.652 2.185 1.00 0.00 H new ATOM 0 HG3 GLU A 120 51.223 -6.832 0.781 1.00 0.00 H new ATOM 500 N ILE A 121 50.148 -5.182 -1.023 1.00 0.00 N ATOM 501 CA ILE A 121 50.056 -3.804 -1.587 1.00 0.00 C ATOM 502 C ILE A 121 50.147 -3.857 -3.117 1.00 0.00 C ATOM 503 O ILE A 121 49.325 -3.297 -3.815 1.00 0.00 O ATOM 504 CB ILE A 121 51.247 -3.050 -0.980 1.00 0.00 C ATOM 505 CG1 ILE A 121 50.843 -2.484 0.383 1.00 0.00 C ATOM 506 CG2 ILE A 121 51.665 -1.896 -1.897 1.00 0.00 C ATOM 507 CD1 ILE A 121 51.975 -1.616 0.937 1.00 0.00 C ATOM 0 H ILE A 121 50.751 -5.279 -0.206 1.00 0.00 H new ATOM 0 HA ILE A 121 49.112 -3.313 -1.351 1.00 0.00 H new ATOM 0 HB ILE A 121 52.084 -3.739 -0.867 1.00 0.00 H new ATOM 0 HG12 ILE A 121 49.932 -1.893 0.287 1.00 0.00 H new ATOM 0 HG13 ILE A 121 50.623 -3.297 1.075 1.00 0.00 H new ATOM 0 HG21 ILE A 121 52.511 -1.369 -1.456 1.00 0.00 H new ATOM 0 HG22 ILE A 121 51.952 -2.291 -2.871 1.00 0.00 H new ATOM 0 HG23 ILE A 121 50.830 -1.206 -2.017 1.00 0.00 H new ATOM 0 HD11 ILE A 121 51.684 -1.215 1.908 1.00 0.00 H new ATOM 0 HD12 ILE A 121 52.875 -2.220 1.049 1.00 0.00 H new ATOM 0 HD13 ILE A 121 52.173 -0.794 0.249 1.00 0.00 H new ATOM 519 N LEU A 122 51.138 -4.522 -3.644 1.00 0.00 N ATOM 520 CA LEU A 122 51.272 -4.602 -5.126 1.00 0.00 C ATOM 521 C LEU A 122 50.278 -5.618 -5.698 1.00 0.00 C ATOM 522 O LEU A 122 49.651 -5.383 -6.712 1.00 0.00 O ATOM 523 CB LEU A 122 52.710 -5.061 -5.369 1.00 0.00 C ATOM 524 CG LEU A 122 53.621 -3.837 -5.467 1.00 0.00 C ATOM 525 CD1 LEU A 122 55.081 -4.268 -5.326 1.00 0.00 C ATOM 526 CD2 LEU A 122 53.417 -3.162 -6.825 1.00 0.00 C ATOM 0 H LEU A 122 51.859 -5.012 -3.114 1.00 0.00 H new ATOM 0 HA LEU A 122 51.060 -3.649 -5.610 1.00 0.00 H new ATOM 0 HB2 LEU A 122 53.039 -5.710 -4.557 1.00 0.00 H new ATOM 0 HB3 LEU A 122 52.767 -5.646 -6.287 1.00 0.00 H new ATOM 0 HG LEU A 122 53.374 -3.137 -4.669 1.00 0.00 H new ATOM 0 HD11 LEU A 122 55.727 -3.393 -5.396 1.00 0.00 H new ATOM 0 HD12 LEU A 122 55.226 -4.750 -4.359 1.00 0.00 H new ATOM 0 HD13 LEU A 122 55.332 -4.969 -6.122 1.00 0.00 H new ATOM 0 HD21 LEU A 122 54.065 -2.289 -6.898 1.00 0.00 H new ATOM 0 HD22 LEU A 122 53.663 -3.865 -7.621 1.00 0.00 H new ATOM 0 HD23 LEU A 122 52.377 -2.851 -6.924 1.00 0.00 H new ATOM 538 N ARG A 123 50.131 -6.745 -5.058 1.00 0.00 N ATOM 539 CA ARG A 123 49.178 -7.773 -5.567 1.00 0.00 C ATOM 540 C ARG A 123 47.778 -7.169 -5.716 1.00 0.00 C ATOM 541 O ARG A 123 47.022 -7.538 -6.593 1.00 0.00 O ATOM 542 CB ARG A 123 49.179 -8.876 -4.508 1.00 0.00 C ATOM 543 CG ARG A 123 50.510 -9.630 -4.557 1.00 0.00 C ATOM 544 CD ARG A 123 50.289 -11.090 -4.151 1.00 0.00 C ATOM 545 NE ARG A 123 51.608 -11.750 -4.362 1.00 0.00 N ATOM 546 CZ ARG A 123 51.748 -13.025 -4.115 1.00 0.00 C ATOM 547 NH1 ARG A 123 50.696 -13.792 -4.029 1.00 0.00 N ATOM 548 NH2 ARG A 123 52.939 -13.533 -3.958 1.00 0.00 N ATOM 0 H ARG A 123 50.629 -6.999 -4.205 1.00 0.00 H new ATOM 0 HA ARG A 123 49.465 -8.152 -6.548 1.00 0.00 H new ATOM 0 HB2 ARG A 123 49.030 -8.445 -3.518 1.00 0.00 H new ATOM 0 HB3 ARG A 123 48.352 -9.564 -4.684 1.00 0.00 H new ATOM 0 HG2 ARG A 123 50.930 -9.581 -5.561 1.00 0.00 H new ATOM 0 HG3 ARG A 123 51.230 -9.161 -3.887 1.00 0.00 H new ATOM 0 HD2 ARG A 123 49.970 -11.167 -3.111 1.00 0.00 H new ATOM 0 HD3 ARG A 123 49.513 -11.556 -4.758 1.00 0.00 H new ATOM 0 HE ARG A 123 52.402 -11.206 -4.699 1.00 0.00 H new ATOM 0 HH11 ARG A 123 49.764 -13.396 -4.155 1.00 0.00 H new ATOM 0 HH12 ARG A 123 50.805 -14.788 -3.836 1.00 0.00 H new ATOM 0 HH21 ARG A 123 53.762 -12.935 -4.028 1.00 0.00 H new ATOM 0 HH22 ARG A 123 53.047 -14.529 -3.765 1.00 0.00 H new ATOM 562 N ALA A 124 47.425 -6.242 -4.866 1.00 0.00 N ATOM 563 CA ALA A 124 46.075 -5.619 -4.963 1.00 0.00 C ATOM 564 C ALA A 124 45.843 -5.083 -6.377 1.00 0.00 C ATOM 565 O ALA A 124 44.733 -5.066 -6.872 1.00 0.00 O ATOM 566 CB ALA A 124 46.091 -4.474 -3.950 1.00 0.00 C ATOM 0 H ALA A 124 48.013 -5.890 -4.110 1.00 0.00 H new ATOM 0 HA ALA A 124 45.276 -6.331 -4.758 1.00 0.00 H new ATOM 0 HB1 ALA A 124 45.128 -3.964 -3.962 1.00 0.00 H new ATOM 0 HB2 ALA A 124 46.278 -4.873 -2.953 1.00 0.00 H new ATOM 0 HB3 ALA A 124 46.879 -3.768 -4.212 1.00 0.00 H new ATOM 572 N THR A 125 46.883 -4.644 -7.031 1.00 0.00 N ATOM 573 CA THR A 125 46.722 -4.111 -8.415 1.00 0.00 C ATOM 574 C THR A 125 46.566 -5.261 -9.410 1.00 0.00 C ATOM 575 O THR A 125 46.188 -6.359 -9.053 1.00 0.00 O ATOM 576 CB THR A 125 48.014 -3.341 -8.693 1.00 0.00 C ATOM 577 OG1 THR A 125 49.069 -4.263 -8.926 1.00 0.00 O ATOM 578 CG2 THR A 125 48.359 -2.461 -7.490 1.00 0.00 C ATOM 0 H THR A 125 47.836 -4.631 -6.668 1.00 0.00 H new ATOM 0 HA THR A 125 45.838 -3.481 -8.514 1.00 0.00 H new ATOM 0 HB THR A 125 47.879 -2.710 -9.572 1.00 0.00 H new ATOM 0 HG1 THR A 125 49.098 -4.918 -8.198 1.00 0.00 H new ATOM 0 HG21 THR A 125 49.280 -1.914 -7.692 1.00 0.00 H new ATOM 0 HG22 THR A 125 47.549 -1.754 -7.312 1.00 0.00 H new ATOM 0 HG23 THR A 125 48.495 -3.087 -6.608 1.00 0.00 H new ATOM 586 N GLY A 126 46.859 -5.017 -10.658 1.00 0.00 N ATOM 587 CA GLY A 126 46.736 -6.093 -11.682 1.00 0.00 C ATOM 588 C GLY A 126 48.055 -6.216 -12.445 1.00 0.00 C ATOM 589 O GLY A 126 48.102 -6.071 -13.651 1.00 0.00 O ATOM 0 H GLY A 126 47.179 -4.116 -11.014 1.00 0.00 H new ATOM 0 HA2 GLY A 126 46.490 -7.041 -11.203 1.00 0.00 H new ATOM 0 HA3 GLY A 126 45.924 -5.864 -12.372 1.00 0.00 H new ATOM 593 N GLU A 127 49.129 -6.474 -11.752 1.00 0.00 N ATOM 594 CA GLU A 127 50.448 -6.601 -12.437 1.00 0.00 C ATOM 595 C GLU A 127 51.177 -7.862 -11.967 1.00 0.00 C ATOM 596 O GLU A 127 50.836 -8.449 -10.959 1.00 0.00 O ATOM 597 CB GLU A 127 51.229 -5.353 -12.024 1.00 0.00 C ATOM 598 CG GLU A 127 51.120 -4.296 -13.122 1.00 0.00 C ATOM 599 CD GLU A 127 51.996 -4.700 -14.310 1.00 0.00 C ATOM 600 OE1 GLU A 127 53.187 -4.447 -14.256 1.00 0.00 O ATOM 601 OE2 GLU A 127 51.459 -5.257 -15.253 1.00 0.00 O ATOM 0 H GLU A 127 49.151 -6.603 -10.740 1.00 0.00 H new ATOM 0 HA GLU A 127 50.341 -6.682 -13.519 1.00 0.00 H new ATOM 0 HB2 GLU A 127 50.837 -4.960 -11.086 1.00 0.00 H new ATOM 0 HB3 GLU A 127 52.275 -5.606 -11.851 1.00 0.00 H new ATOM 0 HG2 GLU A 127 50.083 -4.193 -13.440 1.00 0.00 H new ATOM 0 HG3 GLU A 127 51.434 -3.325 -12.739 1.00 0.00 H new ATOM 608 N HIS A 128 52.184 -8.277 -12.685 1.00 0.00 N ATOM 609 CA HIS A 128 52.942 -9.493 -12.277 1.00 0.00 C ATOM 610 C HIS A 128 54.172 -9.090 -11.461 1.00 0.00 C ATOM 611 O HIS A 128 55.217 -8.791 -12.003 1.00 0.00 O ATOM 612 CB HIS A 128 53.361 -10.158 -13.587 1.00 0.00 C ATOM 613 CG HIS A 128 52.743 -11.525 -13.675 1.00 0.00 C ATOM 614 ND1 HIS A 128 51.793 -11.845 -14.631 1.00 0.00 N ATOM 615 CD2 HIS A 128 52.928 -12.665 -12.934 1.00 0.00 C ATOM 616 CE1 HIS A 128 51.445 -13.131 -14.442 1.00 0.00 C ATOM 617 NE2 HIS A 128 52.108 -13.679 -13.420 1.00 0.00 N ATOM 0 H HIS A 128 52.515 -7.826 -13.538 1.00 0.00 H new ATOM 0 HA HIS A 128 52.349 -10.164 -11.655 1.00 0.00 H new ATOM 0 HB2 HIS A 128 53.045 -9.549 -14.434 1.00 0.00 H new ATOM 0 HB3 HIS A 128 54.447 -10.234 -13.637 1.00 0.00 H new ATOM 0 HD2 HIS A 128 53.607 -12.761 -12.100 1.00 0.00 H new ATOM 0 HE1 HIS A 128 50.718 -13.656 -15.044 1.00 0.00 H new ATOM 0 HE2 HIS A 128 52.030 -14.634 -13.071 1.00 0.00 H new ATOM 625 N VAL A 129 54.054 -9.072 -10.162 1.00 0.00 N ATOM 626 CA VAL A 129 55.218 -8.681 -9.316 1.00 0.00 C ATOM 627 C VAL A 129 55.760 -9.898 -8.562 1.00 0.00 C ATOM 628 O VAL A 129 55.585 -10.027 -7.366 1.00 0.00 O ATOM 629 CB VAL A 129 54.663 -7.644 -8.337 1.00 0.00 C ATOM 630 CG1 VAL A 129 55.821 -6.885 -7.688 1.00 0.00 C ATOM 631 CG2 VAL A 129 53.769 -6.653 -9.090 1.00 0.00 C ATOM 0 H VAL A 129 53.204 -9.310 -9.650 1.00 0.00 H new ATOM 0 HA VAL A 129 56.043 -8.284 -9.907 1.00 0.00 H new ATOM 0 HB VAL A 129 54.079 -8.150 -7.568 1.00 0.00 H new ATOM 0 HG11 VAL A 129 55.426 -6.146 -6.991 1.00 0.00 H new ATOM 0 HG12 VAL A 129 56.460 -7.586 -7.151 1.00 0.00 H new ATOM 0 HG13 VAL A 129 56.403 -6.381 -8.459 1.00 0.00 H new ATOM 0 HG21 VAL A 129 53.375 -5.915 -8.391 1.00 0.00 H new ATOM 0 HG22 VAL A 129 54.353 -6.148 -9.859 1.00 0.00 H new ATOM 0 HG23 VAL A 129 52.943 -7.190 -9.556 1.00 0.00 H new ATOM 641 N ILE A 130 56.421 -10.792 -9.248 1.00 0.00 N ATOM 642 CA ILE A 130 56.975 -11.996 -8.564 1.00 0.00 C ATOM 643 C ILE A 130 58.012 -11.578 -7.519 1.00 0.00 C ATOM 644 O ILE A 130 58.554 -10.491 -7.569 1.00 0.00 O ATOM 645 CB ILE A 130 57.634 -12.818 -9.672 1.00 0.00 C ATOM 646 CG1 ILE A 130 58.801 -12.028 -10.266 1.00 0.00 C ATOM 647 CG2 ILE A 130 56.610 -13.116 -10.768 1.00 0.00 C ATOM 648 CD1 ILE A 130 59.757 -12.989 -10.975 1.00 0.00 C ATOM 0 H ILE A 130 56.601 -10.741 -10.251 1.00 0.00 H new ATOM 0 HA ILE A 130 56.205 -12.563 -8.041 1.00 0.00 H new ATOM 0 HB ILE A 130 58.002 -13.756 -9.257 1.00 0.00 H new ATOM 0 HG12 ILE A 130 58.429 -11.283 -10.969 1.00 0.00 H new ATOM 0 HG13 ILE A 130 59.328 -11.489 -9.479 1.00 0.00 H new ATOM 0 HG21 ILE A 130 57.082 -13.702 -11.557 1.00 0.00 H new ATOM 0 HG22 ILE A 130 55.778 -13.679 -10.345 1.00 0.00 H new ATOM 0 HG23 ILE A 130 56.239 -12.179 -11.184 1.00 0.00 H new ATOM 0 HD11 ILE A 130 60.589 -12.427 -11.399 1.00 0.00 H new ATOM 0 HD12 ILE A 130 60.138 -13.717 -10.259 1.00 0.00 H new ATOM 0 HD13 ILE A 130 59.226 -13.508 -11.773 1.00 0.00 H new ATOM 660 N GLU A 131 58.292 -12.430 -6.572 1.00 0.00 N ATOM 661 CA GLU A 131 59.294 -12.080 -5.525 1.00 0.00 C ATOM 662 C GLU A 131 60.547 -11.473 -6.163 1.00 0.00 C ATOM 663 O GLU A 131 61.025 -10.436 -5.747 1.00 0.00 O ATOM 664 CB GLU A 131 59.632 -13.403 -4.837 1.00 0.00 C ATOM 665 CG GLU A 131 59.904 -13.152 -3.353 1.00 0.00 C ATOM 666 CD GLU A 131 60.897 -14.192 -2.832 1.00 0.00 C ATOM 667 OE1 GLU A 131 61.857 -14.468 -3.532 1.00 0.00 O ATOM 668 OE2 GLU A 131 60.680 -14.696 -1.742 1.00 0.00 O ATOM 0 H GLU A 131 57.870 -13.354 -6.477 1.00 0.00 H new ATOM 0 HA GLU A 131 58.908 -11.341 -4.823 1.00 0.00 H new ATOM 0 HB2 GLU A 131 58.807 -14.106 -4.952 1.00 0.00 H new ATOM 0 HB3 GLU A 131 60.505 -13.856 -5.306 1.00 0.00 H new ATOM 0 HG2 GLU A 131 60.305 -12.148 -3.211 1.00 0.00 H new ATOM 0 HG3 GLU A 131 58.974 -13.207 -2.788 1.00 0.00 H new ATOM 675 N GLU A 132 61.085 -12.115 -7.166 1.00 0.00 N ATOM 676 CA GLU A 132 62.312 -11.578 -7.829 1.00 0.00 C ATOM 677 C GLU A 132 62.213 -10.059 -7.983 1.00 0.00 C ATOM 678 O GLU A 132 63.191 -9.348 -7.862 1.00 0.00 O ATOM 679 CB GLU A 132 62.353 -12.254 -9.199 1.00 0.00 C ATOM 680 CG GLU A 132 63.590 -13.150 -9.289 1.00 0.00 C ATOM 681 CD GLU A 132 63.678 -13.764 -10.687 1.00 0.00 C ATOM 682 OE1 GLU A 132 63.764 -13.008 -11.640 1.00 0.00 O ATOM 683 OE2 GLU A 132 63.655 -14.981 -10.780 1.00 0.00 O ATOM 0 H GLU A 132 60.729 -12.988 -7.556 1.00 0.00 H new ATOM 0 HA GLU A 132 63.213 -11.778 -7.249 1.00 0.00 H new ATOM 0 HB2 GLU A 132 61.450 -12.846 -9.352 1.00 0.00 H new ATOM 0 HB3 GLU A 132 62.378 -11.501 -9.987 1.00 0.00 H new ATOM 0 HG2 GLU A 132 64.488 -12.569 -9.079 1.00 0.00 H new ATOM 0 HG3 GLU A 132 63.536 -13.938 -8.538 1.00 0.00 H new ATOM 690 N ASP A 133 61.038 -9.553 -8.240 1.00 0.00 N ATOM 691 CA ASP A 133 60.880 -8.079 -8.391 1.00 0.00 C ATOM 692 C ASP A 133 60.634 -7.450 -7.021 1.00 0.00 C ATOM 693 O ASP A 133 61.252 -6.471 -6.654 1.00 0.00 O ATOM 694 CB ASP A 133 59.661 -7.898 -9.295 1.00 0.00 C ATOM 695 CG ASP A 133 60.074 -7.156 -10.567 1.00 0.00 C ATOM 696 OD1 ASP A 133 60.225 -5.947 -10.501 1.00 0.00 O ATOM 697 OD2 ASP A 133 60.229 -7.809 -11.586 1.00 0.00 O ATOM 0 H ASP A 133 60.182 -10.096 -8.352 1.00 0.00 H new ATOM 0 HA ASP A 133 61.765 -7.603 -8.813 1.00 0.00 H new ATOM 0 HB2 ASP A 133 59.236 -8.869 -9.550 1.00 0.00 H new ATOM 0 HB3 ASP A 133 58.886 -7.339 -8.771 1.00 0.00 H new ATOM 702 N ILE A 134 59.739 -8.016 -6.260 1.00 0.00 N ATOM 703 CA ILE A 134 59.456 -7.466 -4.907 1.00 0.00 C ATOM 704 C ILE A 134 60.727 -7.503 -4.060 1.00 0.00 C ATOM 705 O ILE A 134 61.029 -6.579 -3.330 1.00 0.00 O ATOM 706 CB ILE A 134 58.396 -8.393 -4.323 1.00 0.00 C ATOM 707 CG1 ILE A 134 57.183 -8.413 -5.253 1.00 0.00 C ATOM 708 CG2 ILE A 134 57.978 -7.886 -2.942 1.00 0.00 C ATOM 709 CD1 ILE A 134 56.027 -9.135 -4.566 1.00 0.00 C ATOM 0 H ILE A 134 59.191 -8.837 -6.518 1.00 0.00 H new ATOM 0 HA ILE A 134 59.118 -6.430 -4.936 1.00 0.00 H new ATOM 0 HB ILE A 134 58.800 -9.401 -4.227 1.00 0.00 H new ATOM 0 HG12 ILE A 134 56.890 -7.395 -5.508 1.00 0.00 H new ATOM 0 HG13 ILE A 134 57.436 -8.915 -6.187 1.00 0.00 H new ATOM 0 HG21 ILE A 134 57.220 -8.549 -2.525 1.00 0.00 H new ATOM 0 HG22 ILE A 134 58.846 -7.867 -2.283 1.00 0.00 H new ATOM 0 HG23 ILE A 134 57.569 -6.880 -3.032 1.00 0.00 H new ATOM 0 HD11 ILE A 134 55.162 -9.149 -5.229 1.00 0.00 H new ATOM 0 HD12 ILE A 134 56.323 -10.158 -4.334 1.00 0.00 H new ATOM 0 HD13 ILE A 134 55.769 -8.614 -3.644 1.00 0.00 H new ATOM 721 N GLU A 135 61.475 -8.567 -4.158 1.00 0.00 N ATOM 722 CA GLU A 135 62.733 -8.669 -3.366 1.00 0.00 C ATOM 723 C GLU A 135 63.656 -7.494 -3.694 1.00 0.00 C ATOM 724 O GLU A 135 64.339 -6.972 -2.835 1.00 0.00 O ATOM 725 CB GLU A 135 63.370 -9.990 -3.799 1.00 0.00 C ATOM 726 CG GLU A 135 62.549 -11.158 -3.247 1.00 0.00 C ATOM 727 CD GLU A 135 63.328 -11.851 -2.125 1.00 0.00 C ATOM 728 OE1 GLU A 135 64.466 -11.476 -1.900 1.00 0.00 O ATOM 729 OE2 GLU A 135 62.772 -12.746 -1.511 1.00 0.00 O ATOM 0 H GLU A 135 61.270 -9.370 -4.752 1.00 0.00 H new ATOM 0 HA GLU A 135 62.550 -8.640 -2.292 1.00 0.00 H new ATOM 0 HB2 GLU A 135 63.415 -10.045 -4.887 1.00 0.00 H new ATOM 0 HB3 GLU A 135 64.396 -10.048 -3.434 1.00 0.00 H new ATOM 0 HG2 GLU A 135 61.593 -10.797 -2.869 1.00 0.00 H new ATOM 0 HG3 GLU A 135 62.329 -11.869 -4.043 1.00 0.00 H new ATOM 736 N ASP A 136 63.682 -7.073 -4.929 1.00 0.00 N ATOM 737 CA ASP A 136 64.561 -5.929 -5.305 1.00 0.00 C ATOM 738 C ASP A 136 64.317 -4.753 -4.357 1.00 0.00 C ATOM 739 O ASP A 136 65.237 -4.191 -3.798 1.00 0.00 O ATOM 740 CB ASP A 136 64.156 -5.562 -6.733 1.00 0.00 C ATOM 741 CG ASP A 136 65.258 -4.716 -7.373 1.00 0.00 C ATOM 742 OD1 ASP A 136 66.351 -4.690 -6.828 1.00 0.00 O ATOM 743 OD2 ASP A 136 64.992 -4.107 -8.395 1.00 0.00 O ATOM 0 H ASP A 136 63.134 -7.470 -5.692 1.00 0.00 H new ATOM 0 HA ASP A 136 65.620 -6.181 -5.240 1.00 0.00 H new ATOM 0 HB2 ASP A 136 63.990 -6.466 -7.319 1.00 0.00 H new ATOM 0 HB3 ASP A 136 63.216 -5.010 -6.726 1.00 0.00 H new ATOM 748 N LEU A 137 63.081 -4.382 -4.167 1.00 0.00 N ATOM 749 CA LEU A 137 62.776 -3.247 -3.250 1.00 0.00 C ATOM 750 C LEU A 137 63.352 -3.530 -1.860 1.00 0.00 C ATOM 751 O LEU A 137 63.942 -2.671 -1.236 1.00 0.00 O ATOM 752 CB LEU A 137 61.249 -3.184 -3.196 1.00 0.00 C ATOM 753 CG LEU A 137 60.779 -1.778 -3.572 1.00 0.00 C ATOM 754 CD1 LEU A 137 60.325 -1.765 -5.033 1.00 0.00 C ATOM 755 CD2 LEU A 137 59.609 -1.375 -2.672 1.00 0.00 C ATOM 0 H LEU A 137 62.269 -4.815 -4.607 1.00 0.00 H new ATOM 0 HA LEU A 137 63.210 -2.307 -3.591 1.00 0.00 H new ATOM 0 HB2 LEU A 137 60.821 -3.916 -3.880 1.00 0.00 H new ATOM 0 HB3 LEU A 137 60.900 -3.440 -2.196 1.00 0.00 H new ATOM 0 HG LEU A 137 61.600 -1.073 -3.440 1.00 0.00 H new ATOM 0 HD11 LEU A 137 59.990 -0.763 -5.301 1.00 0.00 H new ATOM 0 HD12 LEU A 137 61.157 -2.053 -5.675 1.00 0.00 H new ATOM 0 HD13 LEU A 137 59.504 -2.470 -5.165 1.00 0.00 H new ATOM 0 HD21 LEU A 137 59.273 -0.373 -2.939 1.00 0.00 H new ATOM 0 HD22 LEU A 137 58.788 -2.080 -2.804 1.00 0.00 H new ATOM 0 HD23 LEU A 137 59.931 -1.384 -1.631 1.00 0.00 H new ATOM 767 N MET A 138 63.186 -4.729 -1.373 1.00 0.00 N ATOM 768 CA MET A 138 63.727 -5.070 -0.027 1.00 0.00 C ATOM 769 C MET A 138 65.257 -5.081 -0.064 1.00 0.00 C ATOM 770 O MET A 138 65.915 -4.567 0.819 1.00 0.00 O ATOM 771 CB MET A 138 63.188 -6.470 0.273 1.00 0.00 C ATOM 772 CG MET A 138 63.464 -6.823 1.735 1.00 0.00 C ATOM 773 SD MET A 138 61.898 -7.147 2.584 1.00 0.00 S ATOM 774 CE MET A 138 61.250 -5.459 2.513 1.00 0.00 C ATOM 0 H MET A 138 62.699 -5.488 -1.849 1.00 0.00 H new ATOM 0 HA MET A 138 63.431 -4.348 0.734 1.00 0.00 H new ATOM 0 HB2 MET A 138 62.117 -6.508 0.075 1.00 0.00 H new ATOM 0 HB3 MET A 138 63.660 -7.201 -0.384 1.00 0.00 H new ATOM 0 HG2 MET A 138 64.109 -7.699 1.793 1.00 0.00 H new ATOM 0 HG3 MET A 138 63.993 -6.005 2.224 1.00 0.00 H new ATOM 0 HE1 MET A 138 60.636 -5.268 3.393 1.00 0.00 H new ATOM 0 HE2 MET A 138 62.079 -4.752 2.489 1.00 0.00 H new ATOM 0 HE3 MET A 138 60.645 -5.339 1.615 1.00 0.00 H new ATOM 784 N LYS A 139 65.828 -5.663 -1.083 1.00 0.00 N ATOM 785 CA LYS A 139 67.315 -5.710 -1.181 1.00 0.00 C ATOM 786 C LYS A 139 67.880 -4.296 -1.337 1.00 0.00 C ATOM 787 O LYS A 139 68.863 -3.938 -0.718 1.00 0.00 O ATOM 788 CB LYS A 139 67.603 -6.541 -2.431 1.00 0.00 C ATOM 789 CG LYS A 139 67.175 -7.990 -2.195 1.00 0.00 C ATOM 790 CD LYS A 139 67.939 -8.559 -0.997 1.00 0.00 C ATOM 791 CE LYS A 139 67.996 -10.085 -1.106 1.00 0.00 C ATOM 792 NZ LYS A 139 66.870 -10.571 -0.261 1.00 0.00 N ATOM 0 H LYS A 139 65.329 -6.109 -1.853 1.00 0.00 H new ATOM 0 HA LYS A 139 67.774 -6.139 -0.290 1.00 0.00 H new ATOM 0 HB2 LYS A 139 67.067 -6.128 -3.286 1.00 0.00 H new ATOM 0 HB3 LYS A 139 68.666 -6.500 -2.670 1.00 0.00 H new ATOM 0 HG2 LYS A 139 66.102 -8.038 -2.012 1.00 0.00 H new ATOM 0 HG3 LYS A 139 67.374 -8.588 -3.084 1.00 0.00 H new ATOM 0 HD2 LYS A 139 68.948 -8.148 -0.967 1.00 0.00 H new ATOM 0 HD3 LYS A 139 67.449 -8.268 -0.068 1.00 0.00 H new ATOM 0 HE2 LYS A 139 67.884 -10.412 -2.140 1.00 0.00 H new ATOM 0 HE3 LYS A 139 68.952 -10.471 -0.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 67.182 -11.395 0.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 66.569 -9.814 0.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 66.072 -10.844 -0.870 1.00 0.00 H new ATOM 806 N ASP A 140 67.269 -3.491 -2.163 1.00 0.00 N ATOM 807 CA ASP A 140 67.771 -2.101 -2.363 1.00 0.00 C ATOM 808 C ASP A 140 67.489 -1.250 -1.122 1.00 0.00 C ATOM 809 O ASP A 140 68.248 -0.363 -0.780 1.00 0.00 O ATOM 810 CB ASP A 140 66.990 -1.568 -3.565 1.00 0.00 C ATOM 811 CG ASP A 140 67.305 -0.084 -3.761 1.00 0.00 C ATOM 812 OD1 ASP A 140 68.326 0.355 -3.259 1.00 0.00 O ATOM 813 OD2 ASP A 140 66.520 0.588 -4.409 1.00 0.00 O ATOM 0 H ASP A 140 66.443 -3.736 -2.709 1.00 0.00 H new ATOM 0 HA ASP A 140 68.848 -2.072 -2.529 1.00 0.00 H new ATOM 0 HB2 ASP A 140 67.255 -2.128 -4.462 1.00 0.00 H new ATOM 0 HB3 ASP A 140 65.920 -1.706 -3.407 1.00 0.00 H new ATOM 818 N SER A 141 66.404 -1.509 -0.446 1.00 0.00 N ATOM 819 CA SER A 141 66.074 -0.710 0.770 1.00 0.00 C ATOM 820 C SER A 141 66.765 -1.302 2.001 1.00 0.00 C ATOM 821 O SER A 141 67.577 -0.661 2.638 1.00 0.00 O ATOM 822 CB SER A 141 64.558 -0.815 0.911 1.00 0.00 C ATOM 823 OG SER A 141 64.057 0.376 1.503 1.00 0.00 O ATOM 0 H SER A 141 65.731 -2.239 -0.682 1.00 0.00 H new ATOM 0 HA SER A 141 66.409 0.324 0.685 1.00 0.00 H new ATOM 0 HB2 SER A 141 64.100 -0.969 -0.066 1.00 0.00 H new ATOM 0 HB3 SER A 141 64.297 -1.677 1.525 1.00 0.00 H new ATOM 0 HG SER A 141 64.677 1.115 1.327 1.00 0.00 H new ATOM 829 N ASP A 142 66.441 -2.520 2.342 1.00 0.00 N ATOM 830 CA ASP A 142 67.072 -3.156 3.535 1.00 0.00 C ATOM 831 C ASP A 142 68.564 -2.825 3.594 1.00 0.00 C ATOM 832 O ASP A 142 69.373 -3.433 2.922 1.00 0.00 O ATOM 833 CB ASP A 142 66.862 -4.657 3.340 1.00 0.00 C ATOM 834 CG ASP A 142 67.269 -5.401 4.614 1.00 0.00 C ATOM 835 OD1 ASP A 142 67.761 -4.753 5.523 1.00 0.00 O ATOM 836 OD2 ASP A 142 67.085 -6.605 4.658 1.00 0.00 O ATOM 0 H ASP A 142 65.766 -3.103 1.846 1.00 0.00 H new ATOM 0 HA ASP A 142 66.636 -2.799 4.468 1.00 0.00 H new ATOM 0 HB2 ASP A 142 65.817 -4.861 3.105 1.00 0.00 H new ATOM 0 HB3 ASP A 142 67.453 -5.011 2.495 1.00 0.00 H new ATOM 841 N LYS A 143 68.935 -1.867 4.398 1.00 0.00 N ATOM 842 CA LYS A 143 70.375 -1.500 4.508 1.00 0.00 C ATOM 843 C LYS A 143 70.984 -2.154 5.751 1.00 0.00 C ATOM 844 O LYS A 143 72.142 -1.958 6.066 1.00 0.00 O ATOM 845 CB LYS A 143 70.394 0.024 4.640 1.00 0.00 C ATOM 846 CG LYS A 143 71.827 0.493 4.901 1.00 0.00 C ATOM 847 CD LYS A 143 71.897 2.019 4.802 1.00 0.00 C ATOM 848 CE LYS A 143 73.333 2.482 5.064 1.00 0.00 C ATOM 849 NZ LYS A 143 73.234 3.954 5.276 1.00 0.00 N ATOM 0 H LYS A 143 68.303 -1.322 4.984 1.00 0.00 H new ATOM 0 HA LYS A 143 70.955 -1.836 3.649 1.00 0.00 H new ATOM 0 HB2 LYS A 143 70.009 0.484 3.730 1.00 0.00 H new ATOM 0 HB3 LYS A 143 69.743 0.338 5.456 1.00 0.00 H new ATOM 0 HG2 LYS A 143 72.152 0.168 5.889 1.00 0.00 H new ATOM 0 HG3 LYS A 143 72.505 0.041 4.178 1.00 0.00 H new ATOM 0 HD2 LYS A 143 71.573 2.345 3.814 1.00 0.00 H new ATOM 0 HD3 LYS A 143 71.220 2.473 5.525 1.00 0.00 H new ATOM 0 HE2 LYS A 143 73.754 1.985 5.938 1.00 0.00 H new ATOM 0 HE3 LYS A 143 73.983 2.248 4.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 74.181 4.342 5.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 72.837 4.401 4.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 72.615 4.147 6.089 1.00 0.00 H new ATOM 863 N ASN A 144 70.211 -2.932 6.458 1.00 0.00 N ATOM 864 CA ASN A 144 70.741 -3.603 7.680 1.00 0.00 C ATOM 865 C ASN A 144 70.317 -5.073 7.685 1.00 0.00 C ATOM 866 O ASN A 144 70.361 -5.740 8.700 1.00 0.00 O ATOM 867 CB ASN A 144 70.106 -2.857 8.857 1.00 0.00 C ATOM 868 CG ASN A 144 70.110 -1.351 8.580 1.00 0.00 C ATOM 869 OD1 ASN A 144 69.302 -0.866 7.677 1.00 0.00 O flip ATOM 870 ND2 ASN A 144 70.854 -0.611 9.192 1.00 0.00 N flip ATOM 0 H ASN A 144 69.234 -3.133 6.242 1.00 0.00 H new ATOM 0 HA ASN A 144 71.830 -3.578 7.729 1.00 0.00 H new ATOM 0 HB2 ASN A 144 69.085 -3.205 9.011 1.00 0.00 H new ATOM 0 HB3 ASN A 144 70.657 -3.069 9.773 1.00 0.00 H new ATOM 0 HD21 ASN A 144 71.485 -0.991 9.897 1.00 0.00 H new ATOM 0 HD22 ASN A 144 70.848 0.391 9.000 1.00 0.00 H new ATOM 877 N ASN A 145 69.903 -5.579 6.555 1.00 0.00 N ATOM 878 CA ASN A 145 69.472 -7.002 6.484 1.00 0.00 C ATOM 879 C ASN A 145 68.510 -7.324 7.629 1.00 0.00 C ATOM 880 O ASN A 145 68.692 -8.283 8.353 1.00 0.00 O ATOM 881 CB ASN A 145 70.757 -7.813 6.617 1.00 0.00 C ATOM 882 CG ASN A 145 71.525 -7.774 5.295 1.00 0.00 C ATOM 883 OD1 ASN A 145 71.347 -6.871 4.503 1.00 0.00 O ATOM 884 ND2 ASN A 145 72.378 -8.723 5.022 1.00 0.00 N ATOM 0 H ASN A 145 69.845 -5.065 5.676 1.00 0.00 H new ATOM 0 HA ASN A 145 68.944 -7.226 5.557 1.00 0.00 H new ATOM 0 HB2 ASN A 145 71.373 -7.408 7.420 1.00 0.00 H new ATOM 0 HB3 ASN A 145 70.523 -8.844 6.883 1.00 0.00 H new ATOM 0 HD21 ASN A 145 72.895 -8.706 4.143 1.00 0.00 H new ATOM 0 HD22 ASN A 145 72.527 -9.481 5.687 1.00 0.00 H new ATOM 891 N ASP A 146 67.484 -6.535 7.795 1.00 0.00 N ATOM 892 CA ASP A 146 66.510 -6.802 8.891 1.00 0.00 C ATOM 893 C ASP A 146 65.223 -7.401 8.315 1.00 0.00 C ATOM 894 O ASP A 146 64.261 -7.629 9.020 1.00 0.00 O ATOM 895 CB ASP A 146 66.234 -5.434 9.521 1.00 0.00 C ATOM 896 CG ASP A 146 65.804 -4.445 8.436 1.00 0.00 C ATOM 897 OD1 ASP A 146 65.449 -4.896 7.359 1.00 0.00 O ATOM 898 OD2 ASP A 146 65.836 -3.255 8.700 1.00 0.00 O ATOM 0 H ASP A 146 67.278 -5.718 7.220 1.00 0.00 H new ATOM 0 HA ASP A 146 66.893 -7.514 9.622 1.00 0.00 H new ATOM 0 HB2 ASP A 146 65.454 -5.522 10.277 1.00 0.00 H new ATOM 0 HB3 ASP A 146 67.128 -5.068 10.026 1.00 0.00 H new ATOM 903 N GLY A 147 65.204 -7.665 7.036 1.00 0.00 N ATOM 904 CA GLY A 147 63.985 -8.256 6.414 1.00 0.00 C ATOM 905 C GLY A 147 62.845 -7.235 6.434 1.00 0.00 C ATOM 906 O GLY A 147 61.705 -7.560 6.163 1.00 0.00 O ATOM 0 H GLY A 147 65.980 -7.497 6.396 1.00 0.00 H new ATOM 0 HA2 GLY A 147 64.198 -8.556 5.388 1.00 0.00 H new ATOM 0 HA3 GLY A 147 63.689 -9.155 6.954 1.00 0.00 H new ATOM 910 N ARG A 148 63.139 -6.002 6.750 1.00 0.00 N ATOM 911 CA ARG A 148 62.063 -4.968 6.784 1.00 0.00 C ATOM 912 C ARG A 148 62.619 -3.599 6.376 1.00 0.00 C ATOM 913 O ARG A 148 63.754 -3.270 6.655 1.00 0.00 O ATOM 914 CB ARG A 148 61.589 -4.929 8.236 1.00 0.00 C ATOM 915 CG ARG A 148 61.281 -6.346 8.719 1.00 0.00 C ATOM 916 CD ARG A 148 60.597 -6.279 10.086 1.00 0.00 C ATOM 917 NE ARG A 148 59.219 -6.793 9.849 1.00 0.00 N ATOM 918 CZ ARG A 148 58.394 -6.938 10.850 1.00 0.00 C ATOM 919 NH1 ARG A 148 58.854 -7.032 12.067 1.00 0.00 N ATOM 920 NH2 ARG A 148 57.109 -6.989 10.632 1.00 0.00 N ATOM 0 H ARG A 148 64.073 -5.667 6.985 1.00 0.00 H new ATOM 0 HA ARG A 148 61.254 -5.204 6.092 1.00 0.00 H new ATOM 0 HB2 ARG A 148 62.356 -4.479 8.866 1.00 0.00 H new ATOM 0 HB3 ARG A 148 60.700 -4.305 8.321 1.00 0.00 H new ATOM 0 HG2 ARG A 148 60.636 -6.854 8.002 1.00 0.00 H new ATOM 0 HG3 ARG A 148 62.201 -6.927 8.788 1.00 0.00 H new ATOM 0 HD2 ARG A 148 61.124 -6.886 10.822 1.00 0.00 H new ATOM 0 HD3 ARG A 148 60.578 -5.259 10.469 1.00 0.00 H new ATOM 0 HE ARG A 148 58.920 -7.032 8.904 1.00 0.00 H new ATOM 0 HH11 ARG A 148 59.859 -6.992 12.237 1.00 0.00 H new ATOM 0 HH12 ARG A 148 58.209 -7.145 12.849 1.00 0.00 H new ATOM 0 HH21 ARG A 148 56.750 -6.916 9.680 1.00 0.00 H new ATOM 0 HH22 ARG A 148 56.463 -7.102 11.413 1.00 0.00 H new ATOM 934 N ILE A 149 61.820 -2.798 5.723 1.00 0.00 N ATOM 935 CA ILE A 149 62.296 -1.447 5.304 1.00 0.00 C ATOM 936 C ILE A 149 62.003 -0.423 6.406 1.00 0.00 C ATOM 937 O ILE A 149 60.863 -0.130 6.706 1.00 0.00 O ATOM 938 CB ILE A 149 61.493 -1.119 4.042 1.00 0.00 C ATOM 939 CG1 ILE A 149 62.056 -1.906 2.857 1.00 0.00 C ATOM 940 CG2 ILE A 149 61.592 0.378 3.746 1.00 0.00 C ATOM 941 CD1 ILE A 149 60.904 -2.460 2.017 1.00 0.00 C ATOM 0 H ILE A 149 60.859 -3.020 5.462 1.00 0.00 H new ATOM 0 HA ILE A 149 63.370 -1.423 5.122 1.00 0.00 H new ATOM 0 HB ILE A 149 60.449 -1.392 4.199 1.00 0.00 H new ATOM 0 HG12 ILE A 149 62.688 -1.261 2.246 1.00 0.00 H new ATOM 0 HG13 ILE A 149 62.684 -2.722 3.214 1.00 0.00 H new ATOM 0 HG21 ILE A 149 61.020 0.610 2.848 1.00 0.00 H new ATOM 0 HG22 ILE A 149 61.191 0.943 4.588 1.00 0.00 H new ATOM 0 HG23 ILE A 149 62.636 0.650 3.592 1.00 0.00 H new ATOM 0 HD11 ILE A 149 61.306 -3.021 1.173 1.00 0.00 H new ATOM 0 HD12 ILE A 149 60.290 -3.119 2.631 1.00 0.00 H new ATOM 0 HD13 ILE A 149 60.294 -1.636 1.648 1.00 0.00 H new ATOM 953 N ASP A 150 63.023 0.121 7.015 1.00 0.00 N ATOM 954 CA ASP A 150 62.797 1.123 8.098 1.00 0.00 C ATOM 955 C ASP A 150 62.734 2.538 7.517 1.00 0.00 C ATOM 956 O ASP A 150 62.872 2.741 6.327 1.00 0.00 O ATOM 957 CB ASP A 150 64.000 0.983 9.031 1.00 0.00 C ATOM 958 CG ASP A 150 65.286 1.267 8.255 1.00 0.00 C ATOM 959 OD1 ASP A 150 65.187 1.771 7.150 1.00 0.00 O ATOM 960 OD2 ASP A 150 66.349 0.975 8.779 1.00 0.00 O ATOM 0 H ASP A 150 64.001 -0.084 6.810 1.00 0.00 H new ATOM 0 HA ASP A 150 61.854 0.953 8.618 1.00 0.00 H new ATOM 0 HB2 ASP A 150 63.907 1.676 9.867 1.00 0.00 H new ATOM 0 HB3 ASP A 150 64.032 -0.022 9.452 1.00 0.00 H new ATOM 965 N PHE A 151 62.523 3.519 8.354 1.00 0.00 N ATOM 966 CA PHE A 151 62.448 4.924 7.859 1.00 0.00 C ATOM 967 C PHE A 151 63.550 5.183 6.828 1.00 0.00 C ATOM 968 O PHE A 151 63.284 5.531 5.695 1.00 0.00 O ATOM 969 CB PHE A 151 62.661 5.792 9.099 1.00 0.00 C ATOM 970 CG PHE A 151 61.338 6.018 9.792 1.00 0.00 C ATOM 971 CD1 PHE A 151 60.368 6.833 9.199 1.00 0.00 C ATOM 972 CD2 PHE A 151 61.083 5.412 11.029 1.00 0.00 C ATOM 973 CE1 PHE A 151 59.141 7.043 9.841 1.00 0.00 C ATOM 974 CE2 PHE A 151 59.857 5.622 11.672 1.00 0.00 C ATOM 975 CZ PHE A 151 58.886 6.438 11.077 1.00 0.00 C ATOM 0 H PHE A 151 62.399 3.407 9.360 1.00 0.00 H new ATOM 0 HA PHE A 151 61.498 5.138 7.368 1.00 0.00 H new ATOM 0 HB2 PHE A 151 63.361 5.307 9.779 1.00 0.00 H new ATOM 0 HB3 PHE A 151 63.102 6.747 8.815 1.00 0.00 H new ATOM 0 HD1 PHE A 151 60.565 7.301 8.246 1.00 0.00 H new ATOM 0 HD2 PHE A 151 61.832 4.783 11.487 1.00 0.00 H new ATOM 0 HE1 PHE A 151 58.392 7.672 9.382 1.00 0.00 H new ATOM 0 HE2 PHE A 151 59.660 5.155 12.626 1.00 0.00 H new ATOM 0 HZ PHE A 151 57.940 6.600 11.572 1.00 0.00 H new ATOM 985 N ASP A 152 64.785 5.015 7.214 1.00 0.00 N ATOM 986 CA ASP A 152 65.903 5.251 6.257 1.00 0.00 C ATOM 987 C ASP A 152 65.722 4.389 5.005 1.00 0.00 C ATOM 988 O ASP A 152 65.666 4.889 3.898 1.00 0.00 O ATOM 989 CB ASP A 152 67.165 4.840 7.016 1.00 0.00 C ATOM 990 CG ASP A 152 68.008 6.082 7.312 1.00 0.00 C ATOM 991 OD1 ASP A 152 67.614 6.847 8.178 1.00 0.00 O ATOM 992 OD2 ASP A 152 69.030 6.247 6.667 1.00 0.00 O ATOM 0 H ASP A 152 65.068 4.725 8.150 1.00 0.00 H new ATOM 0 HA ASP A 152 65.948 6.287 5.922 1.00 0.00 H new ATOM 0 HB2 ASP A 152 66.896 4.339 7.946 1.00 0.00 H new ATOM 0 HB3 ASP A 152 67.742 4.128 6.426 1.00 0.00 H new ATOM 997 N GLU A 153 65.625 3.099 5.171 1.00 0.00 N ATOM 998 CA GLU A 153 65.443 2.205 3.990 1.00 0.00 C ATOM 999 C GLU A 153 64.189 2.615 3.215 1.00 0.00 C ATOM 1000 O GLU A 153 64.209 2.747 2.008 1.00 0.00 O ATOM 1001 CB GLU A 153 65.287 0.800 4.573 1.00 0.00 C ATOM 1002 CG GLU A 153 66.541 0.438 5.371 1.00 0.00 C ATOM 1003 CD GLU A 153 66.241 -0.746 6.292 1.00 0.00 C ATOM 1004 OE1 GLU A 153 65.416 -1.566 5.923 1.00 0.00 O ATOM 1005 OE2 GLU A 153 66.841 -0.812 7.353 1.00 0.00 O ATOM 0 H GLU A 153 65.664 2.624 6.073 1.00 0.00 H new ATOM 0 HA GLU A 153 66.279 2.259 3.293 1.00 0.00 H new ATOM 0 HB2 GLU A 153 64.408 0.757 5.216 1.00 0.00 H new ATOM 0 HB3 GLU A 153 65.131 0.077 3.772 1.00 0.00 H new ATOM 0 HG2 GLU A 153 67.356 0.186 4.692 1.00 0.00 H new ATOM 0 HG3 GLU A 153 66.870 1.295 5.959 1.00 0.00 H new ATOM 1012 N PHE A 154 63.098 2.830 3.901 1.00 0.00 N ATOM 1013 CA PHE A 154 61.850 3.244 3.197 1.00 0.00 C ATOM 1014 C PHE A 154 62.095 4.556 2.451 1.00 0.00 C ATOM 1015 O PHE A 154 61.912 4.645 1.256 1.00 0.00 O ATOM 1016 CB PHE A 154 60.810 3.439 4.303 1.00 0.00 C ATOM 1017 CG PHE A 154 59.607 4.159 3.740 1.00 0.00 C ATOM 1018 CD1 PHE A 154 58.556 3.430 3.174 1.00 0.00 C ATOM 1019 CD2 PHE A 154 59.547 5.558 3.781 1.00 0.00 C ATOM 1020 CE1 PHE A 154 57.443 4.097 2.648 1.00 0.00 C ATOM 1021 CE2 PHE A 154 58.434 6.226 3.257 1.00 0.00 C ATOM 1022 CZ PHE A 154 57.382 5.496 2.690 1.00 0.00 C ATOM 0 H PHE A 154 63.017 2.737 4.914 1.00 0.00 H new ATOM 0 HA PHE A 154 61.520 2.509 2.463 1.00 0.00 H new ATOM 0 HB2 PHE A 154 60.511 2.473 4.711 1.00 0.00 H new ATOM 0 HB3 PHE A 154 61.240 4.013 5.124 1.00 0.00 H new ATOM 0 HD1 PHE A 154 58.603 2.351 3.143 1.00 0.00 H new ATOM 0 HD2 PHE A 154 60.359 6.121 4.217 1.00 0.00 H new ATOM 0 HE1 PHE A 154 56.632 3.534 2.210 1.00 0.00 H new ATOM 0 HE2 PHE A 154 58.387 7.304 3.290 1.00 0.00 H new ATOM 0 HZ PHE A 154 56.524 6.011 2.285 1.00 0.00 H new ATOM 1032 N LEU A 155 62.521 5.572 3.147 1.00 0.00 N ATOM 1033 CA LEU A 155 62.789 6.871 2.471 1.00 0.00 C ATOM 1034 C LEU A 155 63.582 6.628 1.184 1.00 0.00 C ATOM 1035 O LEU A 155 63.244 7.128 0.131 1.00 0.00 O ATOM 1036 CB LEU A 155 63.618 7.675 3.472 1.00 0.00 C ATOM 1037 CG LEU A 155 62.756 8.019 4.687 1.00 0.00 C ATOM 1038 CD1 LEU A 155 63.659 8.350 5.876 1.00 0.00 C ATOM 1039 CD2 LEU A 155 61.879 9.228 4.363 1.00 0.00 C ATOM 0 H LEU A 155 62.695 5.559 4.152 1.00 0.00 H new ATOM 0 HA LEU A 155 61.875 7.395 2.192 1.00 0.00 H new ATOM 0 HB2 LEU A 155 64.491 7.100 3.783 1.00 0.00 H new ATOM 0 HB3 LEU A 155 63.987 8.588 3.005 1.00 0.00 H new ATOM 0 HG LEU A 155 62.124 7.167 4.937 1.00 0.00 H new ATOM 0 HD11 LEU A 155 63.045 8.595 6.742 1.00 0.00 H new ATOM 0 HD12 LEU A 155 64.286 7.489 6.108 1.00 0.00 H new ATOM 0 HD13 LEU A 155 64.291 9.202 5.627 1.00 0.00 H new ATOM 0 HD21 LEU A 155 61.264 9.474 5.229 1.00 0.00 H new ATOM 0 HD22 LEU A 155 62.512 10.080 4.113 1.00 0.00 H new ATOM 0 HD23 LEU A 155 61.235 8.994 3.515 1.00 0.00 H new ATOM 1051 N LYS A 156 64.633 5.857 1.264 1.00 0.00 N ATOM 1052 CA LYS A 156 65.444 5.578 0.046 1.00 0.00 C ATOM 1053 C LYS A 156 64.532 5.139 -1.104 1.00 0.00 C ATOM 1054 O LYS A 156 64.509 5.746 -2.156 1.00 0.00 O ATOM 1055 CB LYS A 156 66.389 4.444 0.446 1.00 0.00 C ATOM 1056 CG LYS A 156 67.700 4.575 -0.332 1.00 0.00 C ATOM 1057 CD LYS A 156 67.778 3.478 -1.395 1.00 0.00 C ATOM 1058 CE LYS A 156 69.097 3.604 -2.161 1.00 0.00 C ATOM 1059 NZ LYS A 156 69.682 2.235 -2.147 1.00 0.00 N ATOM 0 H LYS A 156 64.964 5.409 2.119 1.00 0.00 H new ATOM 0 HA LYS A 156 65.990 6.457 -0.297 1.00 0.00 H new ATOM 0 HB2 LYS A 156 66.584 4.480 1.518 1.00 0.00 H new ATOM 0 HB3 LYS A 156 65.925 3.480 0.239 1.00 0.00 H new ATOM 0 HG2 LYS A 156 67.759 5.556 -0.803 1.00 0.00 H new ATOM 0 HG3 LYS A 156 68.548 4.497 0.349 1.00 0.00 H new ATOM 0 HD2 LYS A 156 67.710 2.496 -0.926 1.00 0.00 H new ATOM 0 HD3 LYS A 156 66.936 3.562 -2.082 1.00 0.00 H new ATOM 0 HE2 LYS A 156 68.930 3.952 -3.181 1.00 0.00 H new ATOM 0 HE3 LYS A 156 69.763 4.323 -1.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 70.641 2.263 -2.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 69.726 1.886 -1.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 69.088 1.598 -2.715 1.00 0.00 H new ATOM 1073 N MET A 157 63.780 4.089 -0.912 1.00 0.00 N ATOM 1074 CA MET A 157 62.872 3.619 -1.998 1.00 0.00 C ATOM 1075 C MET A 157 62.091 4.807 -2.569 1.00 0.00 C ATOM 1076 O MET A 157 62.044 5.019 -3.765 1.00 0.00 O ATOM 1077 CB MET A 157 61.950 2.582 -1.322 1.00 0.00 C ATOM 1078 CG MET A 157 60.564 3.169 -1.013 1.00 0.00 C ATOM 1079 SD MET A 157 59.423 1.826 -0.601 1.00 0.00 S ATOM 1080 CE MET A 157 60.214 1.323 0.946 1.00 0.00 C ATOM 0 H MET A 157 63.755 3.538 -0.054 1.00 0.00 H new ATOM 0 HA MET A 157 63.401 3.174 -2.841 1.00 0.00 H new ATOM 0 HB2 MET A 157 61.841 1.714 -1.972 1.00 0.00 H new ATOM 0 HB3 MET A 157 62.411 2.233 -0.398 1.00 0.00 H new ATOM 0 HG2 MET A 157 60.631 3.872 -0.183 1.00 0.00 H new ATOM 0 HG3 MET A 157 60.192 3.726 -1.873 1.00 0.00 H new ATOM 0 HE1 MET A 157 59.528 0.700 1.520 1.00 0.00 H new ATOM 0 HE2 MET A 157 61.119 0.757 0.725 1.00 0.00 H new ATOM 0 HE3 MET A 157 60.473 2.208 1.527 1.00 0.00 H new ATOM 1090 N MET A 158 61.478 5.579 -1.718 1.00 0.00 N ATOM 1091 CA MET A 158 60.699 6.756 -2.202 1.00 0.00 C ATOM 1092 C MET A 158 61.637 7.801 -2.812 1.00 0.00 C ATOM 1093 O MET A 158 61.277 8.507 -3.733 1.00 0.00 O ATOM 1094 CB MET A 158 60.012 7.313 -0.957 1.00 0.00 C ATOM 1095 CG MET A 158 58.814 6.432 -0.597 1.00 0.00 C ATOM 1096 SD MET A 158 57.415 6.850 -1.665 1.00 0.00 S ATOM 1097 CE MET A 158 57.077 5.175 -2.262 1.00 0.00 C ATOM 0 H MET A 158 61.481 5.448 -0.707 1.00 0.00 H new ATOM 0 HA MET A 158 59.982 6.486 -2.978 1.00 0.00 H new ATOM 0 HB2 MET A 158 60.715 7.346 -0.125 1.00 0.00 H new ATOM 0 HB3 MET A 158 59.683 8.336 -1.137 1.00 0.00 H new ATOM 0 HG2 MET A 158 59.074 5.380 -0.715 1.00 0.00 H new ATOM 0 HG3 MET A 158 58.543 6.578 0.449 1.00 0.00 H new ATOM 0 HE1 MET A 158 56.232 5.198 -2.951 1.00 0.00 H new ATOM 0 HE2 MET A 158 57.956 4.788 -2.778 1.00 0.00 H new ATOM 0 HE3 MET A 158 56.839 4.529 -1.417 1.00 0.00 H new