USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=7 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 -11:sc= -0.583 USER MOD Set 1.2: A 157 MET CE :methyl 167:sc= -2.62 (180deg=-3.13!) USER MOD Single : A 100 ASN : amide:sc= -0.066 K(o=-0.066,f=-1.1) USER MOD Single : A 101 CYS SG : rot 68:sc= 0.836 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 ASN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 125 THR OG1 : rot 26:sc= 0.143! USER MOD Single : A 128 HIS : no HD1:sc= -0.0623 X(o=-0.062,f=0) USER MOD Single : A 138 MET CE :methyl -166:sc= -1.02 (180deg=-1.35) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 LYS NZ :NH3+ -117:sc= 0 (180deg=-0.137) USER MOD Single : A 144 ASN : amide:sc= -2.69! C(o=-2.7!,f=-5.9!) USER MOD Single : A 145 ASN : amide:sc= -3.17! C(o=-3.2!,f=-10!) USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 158 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 115 N GLU A 96 56.733 14.861 2.763 1.00 0.00 N ATOM 116 CA GLU A 96 55.430 14.642 3.457 1.00 0.00 C ATOM 117 C GLU A 96 54.677 13.471 2.817 1.00 0.00 C ATOM 118 O GLU A 96 54.252 12.553 3.491 1.00 0.00 O ATOM 119 CB GLU A 96 54.653 15.947 3.267 1.00 0.00 C ATOM 120 CG GLU A 96 53.562 16.050 4.336 1.00 0.00 C ATOM 121 CD GLU A 96 52.188 15.879 3.685 1.00 0.00 C ATOM 122 OE1 GLU A 96 51.892 14.779 3.250 1.00 0.00 O ATOM 123 OE2 GLU A 96 51.454 16.853 3.635 1.00 0.00 O ATOM 0 HA GLU A 96 55.562 14.396 4.511 1.00 0.00 H new ATOM 0 HB2 GLU A 96 55.329 16.799 3.338 1.00 0.00 H new ATOM 0 HB3 GLU A 96 54.207 15.976 2.273 1.00 0.00 H new ATOM 0 HG2 GLU A 96 53.712 15.285 5.098 1.00 0.00 H new ATOM 0 HG3 GLU A 96 53.620 17.016 4.838 1.00 0.00 H new ATOM 130 N GLU A 97 54.507 13.498 1.523 1.00 0.00 N ATOM 131 CA GLU A 97 53.781 12.388 0.840 1.00 0.00 C ATOM 132 C GLU A 97 54.321 11.035 1.313 1.00 0.00 C ATOM 133 O GLU A 97 53.646 10.289 1.994 1.00 0.00 O ATOM 134 CB GLU A 97 54.063 12.583 -0.650 1.00 0.00 C ATOM 135 CG GLU A 97 52.895 13.329 -1.296 1.00 0.00 C ATOM 136 CD GLU A 97 53.396 14.646 -1.893 1.00 0.00 C ATOM 137 OE1 GLU A 97 54.494 15.051 -1.548 1.00 0.00 O ATOM 138 OE2 GLU A 97 52.672 15.228 -2.685 1.00 0.00 O ATOM 0 H GLU A 97 54.840 14.241 0.908 1.00 0.00 H new ATOM 0 HA GLU A 97 52.713 12.400 1.057 1.00 0.00 H new ATOM 0 HB2 GLU A 97 54.987 13.145 -0.786 1.00 0.00 H new ATOM 0 HB3 GLU A 97 54.204 11.617 -1.134 1.00 0.00 H new ATOM 0 HG2 GLU A 97 52.443 12.714 -2.074 1.00 0.00 H new ATOM 0 HG3 GLU A 97 52.121 13.525 -0.554 1.00 0.00 H new ATOM 145 N LEU A 98 55.535 10.717 0.959 1.00 0.00 N ATOM 146 CA LEU A 98 56.120 9.415 1.389 1.00 0.00 C ATOM 147 C LEU A 98 55.890 9.201 2.887 1.00 0.00 C ATOM 148 O LEU A 98 55.231 8.267 3.296 1.00 0.00 O ATOM 149 CB LEU A 98 57.614 9.537 1.088 1.00 0.00 C ATOM 150 CG LEU A 98 57.889 9.080 -0.345 1.00 0.00 C ATOM 151 CD1 LEU A 98 57.405 10.149 -1.327 1.00 0.00 C ATOM 152 CD2 LEU A 98 59.393 8.867 -0.528 1.00 0.00 C ATOM 0 H LEU A 98 56.148 11.302 0.391 1.00 0.00 H new ATOM 0 HA LEU A 98 55.667 8.567 0.875 1.00 0.00 H new ATOM 0 HB2 LEU A 98 57.938 10.569 1.220 1.00 0.00 H new ATOM 0 HB3 LEU A 98 58.187 8.931 1.790 1.00 0.00 H new ATOM 0 HG LEU A 98 57.360 8.147 -0.536 1.00 0.00 H new ATOM 0 HD11 LEU A 98 57.602 9.821 -2.348 1.00 0.00 H new ATOM 0 HD12 LEU A 98 56.334 10.305 -1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 98 57.934 11.083 -1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 98 59.593 8.541 -1.549 1.00 0.00 H new ATOM 0 HD22 LEU A 98 59.919 9.802 -0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 98 59.740 8.106 0.170 1.00 0.00 H new ATOM 164 N ALA A 99 56.428 10.061 3.707 1.00 0.00 N ATOM 165 CA ALA A 99 56.241 9.907 5.179 1.00 0.00 C ATOM 166 C ALA A 99 54.795 9.515 5.496 1.00 0.00 C ATOM 167 O ALA A 99 54.540 8.663 6.324 1.00 0.00 O ATOM 168 CB ALA A 99 56.562 11.282 5.764 1.00 0.00 C ATOM 0 H ALA A 99 56.989 10.864 3.422 1.00 0.00 H new ATOM 0 HA ALA A 99 56.878 9.126 5.594 1.00 0.00 H new ATOM 0 HB1 ALA A 99 56.447 11.252 6.848 1.00 0.00 H new ATOM 0 HB2 ALA A 99 57.588 11.553 5.515 1.00 0.00 H new ATOM 0 HB3 ALA A 99 55.880 12.023 5.347 1.00 0.00 H new ATOM 174 N ASN A 100 53.847 10.132 4.846 1.00 0.00 N ATOM 175 CA ASN A 100 52.419 9.796 5.114 1.00 0.00 C ATOM 176 C ASN A 100 52.061 8.439 4.502 1.00 0.00 C ATOM 177 O ASN A 100 51.623 7.536 5.184 1.00 0.00 O ATOM 178 CB ASN A 100 51.618 10.911 4.440 1.00 0.00 C ATOM 179 CG ASN A 100 51.351 12.033 5.445 1.00 0.00 C ATOM 180 OD1 ASN A 100 52.007 12.119 6.465 1.00 0.00 O ATOM 181 ND2 ASN A 100 50.410 12.901 5.201 1.00 0.00 N ATOM 0 H ASN A 100 53.999 10.854 4.141 1.00 0.00 H new ATOM 0 HA ASN A 100 52.210 9.725 6.181 1.00 0.00 H new ATOM 0 HB2 ASN A 100 52.168 11.300 3.583 1.00 0.00 H new ATOM 0 HB3 ASN A 100 50.675 10.517 4.061 1.00 0.00 H new ATOM 0 HD21 ASN A 100 50.224 13.652 5.866 1.00 0.00 H new ATOM 0 HD22 ASN A 100 49.859 12.829 4.345 1.00 0.00 H new ATOM 188 N CYS A 101 52.235 8.296 3.217 1.00 0.00 N ATOM 189 CA CYS A 101 51.897 7.001 2.555 1.00 0.00 C ATOM 190 C CYS A 101 52.510 5.822 3.317 1.00 0.00 C ATOM 191 O CYS A 101 52.001 4.720 3.281 1.00 0.00 O ATOM 192 CB CYS A 101 52.501 7.105 1.155 1.00 0.00 C ATOM 193 SG CYS A 101 51.835 8.566 0.319 1.00 0.00 S ATOM 0 H CYS A 101 52.597 9.019 2.595 1.00 0.00 H new ATOM 0 HA CYS A 101 50.821 6.827 2.529 1.00 0.00 H new ATOM 0 HB2 CYS A 101 53.587 7.173 1.220 1.00 0.00 H new ATOM 0 HB3 CYS A 101 52.272 6.208 0.580 1.00 0.00 H new ATOM 0 HG CYS A 101 52.275 9.640 0.905 1.00 0.00 H new ATOM 199 N PHE A 102 53.596 6.036 4.008 1.00 0.00 N ATOM 200 CA PHE A 102 54.222 4.914 4.762 1.00 0.00 C ATOM 201 C PHE A 102 53.152 4.146 5.541 1.00 0.00 C ATOM 202 O PHE A 102 53.065 2.936 5.473 1.00 0.00 O ATOM 203 CB PHE A 102 55.211 5.575 5.724 1.00 0.00 C ATOM 204 CG PHE A 102 56.115 4.519 6.311 1.00 0.00 C ATOM 205 CD1 PHE A 102 55.651 3.693 7.341 1.00 0.00 C ATOM 206 CD2 PHE A 102 57.417 4.362 5.821 1.00 0.00 C ATOM 207 CE1 PHE A 102 56.488 2.712 7.884 1.00 0.00 C ATOM 208 CE2 PHE A 102 58.254 3.381 6.364 1.00 0.00 C ATOM 209 CZ PHE A 102 57.790 2.556 7.395 1.00 0.00 C ATOM 0 H PHE A 102 54.074 6.934 4.083 1.00 0.00 H new ATOM 0 HA PHE A 102 54.716 4.201 4.102 1.00 0.00 H new ATOM 0 HB2 PHE A 102 55.802 6.325 5.198 1.00 0.00 H new ATOM 0 HB3 PHE A 102 54.673 6.093 6.518 1.00 0.00 H new ATOM 0 HD1 PHE A 102 54.646 3.813 7.717 1.00 0.00 H new ATOM 0 HD2 PHE A 102 57.775 4.998 5.025 1.00 0.00 H new ATOM 0 HE1 PHE A 102 56.130 2.076 8.680 1.00 0.00 H new ATOM 0 HE2 PHE A 102 59.259 3.260 5.987 1.00 0.00 H new ATOM 0 HZ PHE A 102 58.437 1.799 7.813 1.00 0.00 H new ATOM 219 N ARG A 103 52.339 4.845 6.283 1.00 0.00 N ATOM 220 CA ARG A 103 51.274 4.167 7.074 1.00 0.00 C ATOM 221 C ARG A 103 50.373 3.324 6.164 1.00 0.00 C ATOM 222 O ARG A 103 50.003 2.216 6.497 1.00 0.00 O ATOM 223 CB ARG A 103 50.474 5.307 7.704 1.00 0.00 C ATOM 224 CG ARG A 103 50.995 5.582 9.116 1.00 0.00 C ATOM 225 CD ARG A 103 49.960 6.407 9.887 1.00 0.00 C ATOM 226 NE ARG A 103 50.746 7.161 10.901 1.00 0.00 N ATOM 227 CZ ARG A 103 51.036 8.418 10.702 1.00 0.00 C ATOM 228 NH1 ARG A 103 50.081 9.304 10.639 1.00 0.00 N ATOM 229 NH2 ARG A 103 52.278 8.786 10.563 1.00 0.00 N ATOM 0 H ARG A 103 52.366 5.860 6.376 1.00 0.00 H new ATOM 0 HA ARG A 103 51.688 3.487 7.818 1.00 0.00 H new ATOM 0 HB2 ARG A 103 50.559 6.205 7.093 1.00 0.00 H new ATOM 0 HB3 ARG A 103 49.416 5.046 7.740 1.00 0.00 H new ATOM 0 HG2 ARG A 103 51.187 4.643 9.634 1.00 0.00 H new ATOM 0 HG3 ARG A 103 51.942 6.119 9.068 1.00 0.00 H new ATOM 0 HD2 ARG A 103 49.420 7.083 9.224 1.00 0.00 H new ATOM 0 HD3 ARG A 103 49.217 5.765 10.361 1.00 0.00 H new ATOM 0 HE ARG A 103 51.059 6.695 11.753 1.00 0.00 H new ATOM 0 HH11 ARG A 103 49.109 9.014 10.745 1.00 0.00 H new ATOM 0 HH12 ARG A 103 50.306 10.287 10.484 1.00 0.00 H new ATOM 0 HH21 ARG A 103 53.024 8.092 10.610 1.00 0.00 H new ATOM 0 HH22 ARG A 103 52.505 9.768 10.407 1.00 0.00 H new ATOM 243 N ILE A 104 50.008 3.845 5.024 1.00 0.00 N ATOM 244 CA ILE A 104 49.121 3.078 4.101 1.00 0.00 C ATOM 245 C ILE A 104 49.750 1.728 3.746 1.00 0.00 C ATOM 246 O ILE A 104 49.084 0.712 3.724 1.00 0.00 O ATOM 247 CB ILE A 104 48.989 3.956 2.858 1.00 0.00 C ATOM 248 CG1 ILE A 104 48.092 5.153 3.181 1.00 0.00 C ATOM 249 CG2 ILE A 104 48.363 3.145 1.721 1.00 0.00 C ATOM 250 CD1 ILE A 104 46.683 4.656 3.509 1.00 0.00 C ATOM 0 H ILE A 104 50.285 4.768 4.691 1.00 0.00 H new ATOM 0 HA ILE A 104 48.153 2.860 4.551 1.00 0.00 H new ATOM 0 HB ILE A 104 49.975 4.306 2.552 1.00 0.00 H new ATOM 0 HG12 ILE A 104 48.499 5.710 4.025 1.00 0.00 H new ATOM 0 HG13 ILE A 104 48.060 5.837 2.333 1.00 0.00 H new ATOM 0 HG21 ILE A 104 48.269 3.773 0.835 1.00 0.00 H new ATOM 0 HG22 ILE A 104 48.997 2.288 1.493 1.00 0.00 H new ATOM 0 HG23 ILE A 104 47.376 2.796 2.024 1.00 0.00 H new ATOM 0 HD11 ILE A 104 46.042 5.507 3.740 1.00 0.00 H new ATOM 0 HD12 ILE A 104 46.278 4.118 2.652 1.00 0.00 H new ATOM 0 HD13 ILE A 104 46.724 3.989 4.370 1.00 0.00 H new ATOM 262 N PHE A 105 51.024 1.707 3.465 1.00 0.00 N ATOM 263 CA PHE A 105 51.685 0.418 3.111 1.00 0.00 C ATOM 264 C PHE A 105 51.689 -0.521 4.317 1.00 0.00 C ATOM 265 O PHE A 105 51.504 -1.715 4.187 1.00 0.00 O ATOM 266 CB PHE A 105 53.114 0.799 2.720 1.00 0.00 C ATOM 267 CG PHE A 105 53.074 1.733 1.536 1.00 0.00 C ATOM 268 CD1 PHE A 105 52.410 1.350 0.365 1.00 0.00 C ATOM 269 CD2 PHE A 105 53.696 2.985 1.608 1.00 0.00 C ATOM 270 CE1 PHE A 105 52.370 2.216 -0.734 1.00 0.00 C ATOM 271 CE2 PHE A 105 53.655 3.852 0.509 1.00 0.00 C ATOM 272 CZ PHE A 105 52.992 3.467 -0.661 1.00 0.00 C ATOM 0 H PHE A 105 51.635 2.524 3.465 1.00 0.00 H new ATOM 0 HA PHE A 105 51.169 -0.104 2.305 1.00 0.00 H new ATOM 0 HB2 PHE A 105 53.617 1.279 3.559 1.00 0.00 H new ATOM 0 HB3 PHE A 105 53.687 -0.095 2.473 1.00 0.00 H new ATOM 0 HD1 PHE A 105 51.928 0.385 0.309 1.00 0.00 H new ATOM 0 HD2 PHE A 105 54.208 3.282 2.511 1.00 0.00 H new ATOM 0 HE1 PHE A 105 51.859 1.919 -1.638 1.00 0.00 H new ATOM 0 HE2 PHE A 105 54.135 4.818 0.565 1.00 0.00 H new ATOM 0 HZ PHE A 105 52.960 4.136 -1.508 1.00 0.00 H new ATOM 282 N ASP A 106 51.898 0.005 5.494 1.00 0.00 N ATOM 283 CA ASP A 106 51.910 -0.865 6.702 1.00 0.00 C ATOM 284 C ASP A 106 50.509 -1.431 6.957 1.00 0.00 C ATOM 285 O ASP A 106 49.713 -0.846 7.665 1.00 0.00 O ATOM 286 CB ASP A 106 52.335 0.051 7.852 1.00 0.00 C ATOM 287 CG ASP A 106 52.957 -0.789 8.971 1.00 0.00 C ATOM 288 OD1 ASP A 106 52.630 -1.961 9.055 1.00 0.00 O ATOM 289 OD2 ASP A 106 53.749 -0.247 9.724 1.00 0.00 O ATOM 0 H ASP A 106 52.060 0.997 5.670 1.00 0.00 H new ATOM 0 HA ASP A 106 52.583 -1.715 6.591 1.00 0.00 H new ATOM 0 HB2 ASP A 106 53.053 0.790 7.496 1.00 0.00 H new ATOM 0 HB3 ASP A 106 51.473 0.600 8.231 1.00 0.00 H new ATOM 294 N LYS A 107 50.204 -2.568 6.391 1.00 0.00 N ATOM 295 CA LYS A 107 48.858 -3.171 6.611 1.00 0.00 C ATOM 296 C LYS A 107 48.679 -3.499 8.094 1.00 0.00 C ATOM 297 O LYS A 107 47.579 -3.516 8.610 1.00 0.00 O ATOM 298 CB LYS A 107 48.857 -4.452 5.778 1.00 0.00 C ATOM 299 CG LYS A 107 48.647 -4.104 4.303 1.00 0.00 C ATOM 300 CD LYS A 107 47.169 -3.800 4.052 1.00 0.00 C ATOM 301 CE LYS A 107 47.038 -2.848 2.861 1.00 0.00 C ATOM 302 NZ LYS A 107 46.159 -3.562 1.895 1.00 0.00 N ATOM 0 H LYS A 107 50.827 -3.104 5.787 1.00 0.00 H new ATOM 0 HA LYS A 107 48.047 -2.501 6.325 1.00 0.00 H new ATOM 0 HB2 LYS A 107 49.801 -4.982 5.906 1.00 0.00 H new ATOM 0 HB3 LYS A 107 48.067 -5.120 6.121 1.00 0.00 H new ATOM 0 HG2 LYS A 107 49.257 -3.242 4.032 1.00 0.00 H new ATOM 0 HG3 LYS A 107 48.970 -4.933 3.674 1.00 0.00 H new ATOM 0 HD2 LYS A 107 46.625 -4.724 3.854 1.00 0.00 H new ATOM 0 HD3 LYS A 107 46.723 -3.352 4.940 1.00 0.00 H new ATOM 0 HE2 LYS A 107 46.602 -1.896 3.163 1.00 0.00 H new ATOM 0 HE3 LYS A 107 48.011 -2.628 2.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 46.021 -2.972 1.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 46.603 -4.462 1.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 45.238 -3.752 2.339 1.00 0.00 H new ATOM 316 N ASN A 108 49.759 -3.754 8.780 1.00 0.00 N ATOM 317 CA ASN A 108 49.665 -4.075 10.231 1.00 0.00 C ATOM 318 C ASN A 108 50.121 -2.873 11.061 1.00 0.00 C ATOM 319 O ASN A 108 50.302 -1.788 10.547 1.00 0.00 O ATOM 320 CB ASN A 108 50.612 -5.258 10.429 1.00 0.00 C ATOM 321 CG ASN A 108 50.362 -6.299 9.337 1.00 0.00 C ATOM 322 OD1 ASN A 108 51.197 -6.394 8.339 1.00 0.00 O flip ATOM 323 ND2 ASN A 108 49.397 -7.033 9.393 1.00 0.00 N flip ATOM 0 H ASN A 108 50.704 -3.754 8.397 1.00 0.00 H new ATOM 0 HA ASN A 108 48.648 -4.310 10.545 1.00 0.00 H new ATOM 0 HB2 ASN A 108 51.647 -4.919 10.393 1.00 0.00 H new ATOM 0 HB3 ASN A 108 50.456 -5.702 11.412 1.00 0.00 H new ATOM 0 HD21 ASN A 108 48.744 -6.959 10.173 1.00 0.00 H new ATOM 0 HD22 ASN A 108 49.239 -7.724 8.660 1.00 0.00 H new ATOM 330 N ALA A 109 50.308 -3.056 12.340 1.00 0.00 N ATOM 331 CA ALA A 109 50.752 -1.918 13.195 1.00 0.00 C ATOM 332 C ALA A 109 52.091 -2.243 13.861 1.00 0.00 C ATOM 333 O ALA A 109 52.182 -2.362 15.066 1.00 0.00 O ATOM 334 CB ALA A 109 49.655 -1.761 14.249 1.00 0.00 C ATOM 0 H ALA A 109 50.173 -3.941 12.829 1.00 0.00 H new ATOM 0 HA ALA A 109 50.899 -1.005 12.619 1.00 0.00 H new ATOM 0 HB1 ALA A 109 49.909 -0.940 14.919 1.00 0.00 H new ATOM 0 HB2 ALA A 109 48.706 -1.547 13.757 1.00 0.00 H new ATOM 0 HB3 ALA A 109 49.567 -2.684 14.823 1.00 0.00 H new ATOM 340 N ASP A 110 53.134 -2.384 13.088 1.00 0.00 N ATOM 341 CA ASP A 110 54.466 -2.698 13.686 1.00 0.00 C ATOM 342 C ASP A 110 55.432 -1.533 13.463 1.00 0.00 C ATOM 343 O ASP A 110 56.300 -1.272 14.274 1.00 0.00 O ATOM 344 CB ASP A 110 54.963 -3.956 12.960 1.00 0.00 C ATOM 345 CG ASP A 110 54.596 -3.890 11.476 1.00 0.00 C ATOM 346 OD1 ASP A 110 55.324 -3.253 10.731 1.00 0.00 O ATOM 347 OD2 ASP A 110 53.593 -4.480 11.108 1.00 0.00 O ATOM 0 H ASP A 110 53.123 -2.296 12.072 1.00 0.00 H new ATOM 0 HA ASP A 110 54.399 -2.859 14.762 1.00 0.00 H new ATOM 0 HB2 ASP A 110 56.044 -4.046 13.071 1.00 0.00 H new ATOM 0 HB3 ASP A 110 54.521 -4.844 13.412 1.00 0.00 H new ATOM 352 N GLY A 111 55.291 -0.830 12.375 1.00 0.00 N ATOM 353 CA GLY A 111 56.205 0.314 12.109 1.00 0.00 C ATOM 354 C GLY A 111 57.263 -0.103 11.088 1.00 0.00 C ATOM 355 O GLY A 111 58.190 0.630 10.806 1.00 0.00 O ATOM 0 H GLY A 111 54.584 -0.998 11.660 1.00 0.00 H new ATOM 0 HA2 GLY A 111 55.638 1.166 11.733 1.00 0.00 H new ATOM 0 HA3 GLY A 111 56.684 0.633 13.035 1.00 0.00 H new ATOM 359 N PHE A 112 57.132 -1.273 10.525 1.00 0.00 N ATOM 360 CA PHE A 112 58.130 -1.732 9.515 1.00 0.00 C ATOM 361 C PHE A 112 57.469 -2.706 8.536 1.00 0.00 C ATOM 362 O PHE A 112 56.830 -3.660 8.933 1.00 0.00 O ATOM 363 CB PHE A 112 59.224 -2.444 10.312 1.00 0.00 C ATOM 364 CG PHE A 112 59.545 -1.666 11.567 1.00 0.00 C ATOM 365 CD1 PHE A 112 58.769 -1.848 12.717 1.00 0.00 C ATOM 366 CD2 PHE A 112 60.621 -0.771 11.582 1.00 0.00 C ATOM 367 CE1 PHE A 112 59.065 -1.131 13.883 1.00 0.00 C ATOM 368 CE2 PHE A 112 60.916 -0.054 12.748 1.00 0.00 C ATOM 369 CZ PHE A 112 60.140 -0.235 13.900 1.00 0.00 C ATOM 0 H PHE A 112 56.378 -1.931 10.720 1.00 0.00 H new ATOM 0 HA PHE A 112 58.532 -0.903 8.932 1.00 0.00 H new ATOM 0 HB2 PHE A 112 58.897 -3.451 10.573 1.00 0.00 H new ATOM 0 HB3 PHE A 112 60.120 -2.548 9.701 1.00 0.00 H new ATOM 0 HD1 PHE A 112 57.941 -2.542 12.705 1.00 0.00 H new ATOM 0 HD2 PHE A 112 61.223 -0.634 10.696 1.00 0.00 H new ATOM 0 HE1 PHE A 112 58.464 -1.270 14.769 1.00 0.00 H new ATOM 0 HE2 PHE A 112 61.743 0.640 12.759 1.00 0.00 H new ATOM 0 HZ PHE A 112 60.371 0.316 14.800 1.00 0.00 H new ATOM 379 N ILE A 113 57.613 -2.473 7.261 1.00 0.00 N ATOM 380 CA ILE A 113 56.989 -3.388 6.260 1.00 0.00 C ATOM 381 C ILE A 113 57.887 -4.605 6.014 1.00 0.00 C ATOM 382 O ILE A 113 59.095 -4.495 5.953 1.00 0.00 O ATOM 383 CB ILE A 113 56.864 -2.555 4.986 1.00 0.00 C ATOM 384 CG1 ILE A 113 55.984 -1.334 5.258 1.00 0.00 C ATOM 385 CG2 ILE A 113 56.231 -3.408 3.886 1.00 0.00 C ATOM 386 CD1 ILE A 113 56.849 -0.071 5.255 1.00 0.00 C ATOM 0 H ILE A 113 58.135 -1.690 6.868 1.00 0.00 H new ATOM 0 HA ILE A 113 56.025 -3.768 6.599 1.00 0.00 H new ATOM 0 HB ILE A 113 57.852 -2.223 4.667 1.00 0.00 H new ATOM 0 HG12 ILE A 113 55.206 -1.257 4.499 1.00 0.00 H new ATOM 0 HG13 ILE A 113 55.482 -1.441 6.219 1.00 0.00 H new ATOM 0 HG21 ILE A 113 56.140 -2.817 2.975 1.00 0.00 H new ATOM 0 HG22 ILE A 113 56.859 -4.278 3.693 1.00 0.00 H new ATOM 0 HG23 ILE A 113 55.242 -3.738 4.205 1.00 0.00 H new ATOM 0 HD11 ILE A 113 56.222 0.800 5.449 1.00 0.00 H new ATOM 0 HD12 ILE A 113 57.611 -0.150 6.031 1.00 0.00 H new ATOM 0 HD13 ILE A 113 57.331 0.038 4.283 1.00 0.00 H new ATOM 398 N ASP A 114 57.303 -5.765 5.863 1.00 0.00 N ATOM 399 CA ASP A 114 58.123 -6.988 5.610 1.00 0.00 C ATOM 400 C ASP A 114 57.975 -7.428 4.150 1.00 0.00 C ATOM 401 O ASP A 114 57.180 -6.887 3.407 1.00 0.00 O ATOM 402 CB ASP A 114 57.562 -8.056 6.552 1.00 0.00 C ATOM 403 CG ASP A 114 56.034 -8.071 6.465 1.00 0.00 C ATOM 404 OD1 ASP A 114 55.522 -8.029 5.359 1.00 0.00 O ATOM 405 OD2 ASP A 114 55.402 -8.126 7.507 1.00 0.00 O ATOM 0 H ASP A 114 56.295 -5.919 5.904 1.00 0.00 H new ATOM 0 HA ASP A 114 59.184 -6.813 5.786 1.00 0.00 H new ATOM 0 HB2 ASP A 114 57.960 -9.035 6.286 1.00 0.00 H new ATOM 0 HB3 ASP A 114 57.875 -7.852 7.576 1.00 0.00 H new ATOM 410 N ILE A 115 58.733 -8.406 3.730 1.00 0.00 N ATOM 411 CA ILE A 115 58.627 -8.871 2.316 1.00 0.00 C ATOM 412 C ILE A 115 57.187 -9.281 2.001 1.00 0.00 C ATOM 413 O ILE A 115 56.655 -8.965 0.955 1.00 0.00 O ATOM 414 CB ILE A 115 59.558 -10.079 2.213 1.00 0.00 C ATOM 415 CG1 ILE A 115 59.664 -10.506 0.747 1.00 0.00 C ATOM 416 CG2 ILE A 115 58.991 -11.236 3.038 1.00 0.00 C ATOM 417 CD1 ILE A 115 61.089 -10.971 0.449 1.00 0.00 C ATOM 0 H ILE A 115 59.418 -8.901 4.302 1.00 0.00 H new ATOM 0 HA ILE A 115 58.901 -8.088 1.609 1.00 0.00 H new ATOM 0 HB ILE A 115 60.544 -9.814 2.593 1.00 0.00 H new ATOM 0 HG12 ILE A 115 58.958 -11.310 0.540 1.00 0.00 H new ATOM 0 HG13 ILE A 115 59.399 -9.673 0.095 1.00 0.00 H new ATOM 0 HG21 ILE A 115 59.656 -12.096 2.963 1.00 0.00 H new ATOM 0 HG22 ILE A 115 58.907 -10.932 4.081 1.00 0.00 H new ATOM 0 HG23 ILE A 115 58.006 -11.505 2.658 1.00 0.00 H new ATOM 0 HD11 ILE A 115 61.162 -11.274 -0.595 1.00 0.00 H new ATOM 0 HD12 ILE A 115 61.785 -10.154 0.639 1.00 0.00 H new ATOM 0 HD13 ILE A 115 61.338 -11.816 1.091 1.00 0.00 H new ATOM 429 N GLU A 116 56.549 -9.982 2.899 1.00 0.00 N ATOM 430 CA GLU A 116 55.143 -10.407 2.648 1.00 0.00 C ATOM 431 C GLU A 116 54.279 -9.186 2.330 1.00 0.00 C ATOM 432 O GLU A 116 53.690 -9.090 1.272 1.00 0.00 O ATOM 433 CB GLU A 116 54.688 -11.063 3.953 1.00 0.00 C ATOM 434 CG GLU A 116 54.988 -12.562 3.898 1.00 0.00 C ATOM 435 CD GLU A 116 55.667 -12.996 5.198 1.00 0.00 C ATOM 436 OE1 GLU A 116 56.879 -12.885 5.276 1.00 0.00 O ATOM 437 OE2 GLU A 116 54.963 -13.437 6.092 1.00 0.00 O ATOM 0 H GLU A 116 56.940 -10.278 3.793 1.00 0.00 H new ATOM 0 HA GLU A 116 55.059 -11.088 1.801 1.00 0.00 H new ATOM 0 HB2 GLU A 116 55.202 -10.609 4.800 1.00 0.00 H new ATOM 0 HB3 GLU A 116 53.621 -10.899 4.103 1.00 0.00 H new ATOM 0 HG2 GLU A 116 54.065 -13.123 3.753 1.00 0.00 H new ATOM 0 HG3 GLU A 116 55.633 -12.783 3.047 1.00 0.00 H new ATOM 444 N GLU A 117 54.206 -8.251 3.236 1.00 0.00 N ATOM 445 CA GLU A 117 53.385 -7.031 2.983 1.00 0.00 C ATOM 446 C GLU A 117 53.706 -6.473 1.595 1.00 0.00 C ATOM 447 O GLU A 117 52.828 -6.099 0.842 1.00 0.00 O ATOM 448 CB GLU A 117 53.809 -6.037 4.065 1.00 0.00 C ATOM 449 CG GLU A 117 53.025 -6.309 5.349 1.00 0.00 C ATOM 450 CD GLU A 117 53.636 -5.506 6.499 1.00 0.00 C ATOM 451 OE1 GLU A 117 53.525 -4.292 6.472 1.00 0.00 O ATOM 452 OE2 GLU A 117 54.207 -6.119 7.386 1.00 0.00 O ATOM 0 H GLU A 117 54.678 -8.277 4.140 1.00 0.00 H new ATOM 0 HA GLU A 117 52.315 -7.234 3.014 1.00 0.00 H new ATOM 0 HB2 GLU A 117 54.879 -6.125 4.255 1.00 0.00 H new ATOM 0 HB3 GLU A 117 53.629 -5.017 3.726 1.00 0.00 H new ATOM 0 HG2 GLU A 117 51.979 -6.034 5.214 1.00 0.00 H new ATOM 0 HG3 GLU A 117 53.047 -7.373 5.583 1.00 0.00 H new ATOM 459 N LEU A 118 54.962 -6.418 1.259 1.00 0.00 N ATOM 460 CA LEU A 118 55.367 -5.888 -0.074 1.00 0.00 C ATOM 461 C LEU A 118 54.485 -6.474 -1.181 1.00 0.00 C ATOM 462 O LEU A 118 54.241 -5.844 -2.190 1.00 0.00 O ATOM 463 CB LEU A 118 56.810 -6.355 -0.245 1.00 0.00 C ATOM 464 CG LEU A 118 57.677 -5.198 -0.744 1.00 0.00 C ATOM 465 CD1 LEU A 118 57.753 -4.118 0.335 1.00 0.00 C ATOM 466 CD2 LEU A 118 59.086 -5.716 -1.048 1.00 0.00 C ATOM 0 H LEU A 118 55.733 -6.720 1.854 1.00 0.00 H new ATOM 0 HA LEU A 118 55.265 -4.805 -0.136 1.00 0.00 H new ATOM 0 HB2 LEU A 118 57.196 -6.727 0.704 1.00 0.00 H new ATOM 0 HB3 LEU A 118 56.852 -7.183 -0.952 1.00 0.00 H new ATOM 0 HG LEU A 118 57.240 -4.777 -1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 118 58.371 -3.293 -0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 118 56.750 -3.752 0.555 1.00 0.00 H new ATOM 0 HD13 LEU A 118 58.193 -4.538 1.240 1.00 0.00 H new ATOM 0 HD21 LEU A 118 59.707 -4.894 -1.404 1.00 0.00 H new ATOM 0 HD22 LEU A 118 59.523 -6.135 -0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 118 59.032 -6.488 -1.815 1.00 0.00 H new ATOM 478 N GLY A 119 54.017 -7.682 -1.008 1.00 0.00 N ATOM 479 CA GLY A 119 53.166 -8.311 -2.059 1.00 0.00 C ATOM 480 C GLY A 119 51.774 -7.673 -2.061 1.00 0.00 C ATOM 481 O GLY A 119 51.438 -6.903 -2.936 1.00 0.00 O ATOM 0 H GLY A 119 54.187 -8.260 -0.185 1.00 0.00 H new ATOM 0 HA2 GLY A 119 53.632 -8.188 -3.037 1.00 0.00 H new ATOM 0 HA3 GLY A 119 53.083 -9.383 -1.878 1.00 0.00 H new ATOM 485 N GLU A 120 50.959 -7.994 -1.093 1.00 0.00 N ATOM 486 CA GLU A 120 49.586 -7.409 -1.047 1.00 0.00 C ATOM 487 C GLU A 120 49.626 -5.922 -1.401 1.00 0.00 C ATOM 488 O GLU A 120 48.879 -5.451 -2.237 1.00 0.00 O ATOM 489 CB GLU A 120 49.114 -7.604 0.396 1.00 0.00 C ATOM 490 CG GLU A 120 50.190 -7.119 1.371 1.00 0.00 C ATOM 491 CD GLU A 120 49.982 -7.789 2.730 1.00 0.00 C ATOM 492 OE1 GLU A 120 49.783 -8.992 2.751 1.00 0.00 O ATOM 493 OE2 GLU A 120 50.025 -7.087 3.728 1.00 0.00 O ATOM 0 H GLU A 120 51.183 -8.635 -0.332 1.00 0.00 H new ATOM 0 HA GLU A 120 48.916 -7.886 -1.762 1.00 0.00 H new ATOM 0 HB2 GLU A 120 48.188 -7.054 0.561 1.00 0.00 H new ATOM 0 HB3 GLU A 120 48.896 -8.657 0.577 1.00 0.00 H new ATOM 0 HG2 GLU A 120 51.181 -7.356 0.984 1.00 0.00 H new ATOM 0 HG3 GLU A 120 50.140 -6.035 1.476 1.00 0.00 H new ATOM 500 N ILE A 121 50.492 -5.178 -0.773 1.00 0.00 N ATOM 501 CA ILE A 121 50.582 -3.721 -1.071 1.00 0.00 C ATOM 502 C ILE A 121 50.640 -3.496 -2.587 1.00 0.00 C ATOM 503 O ILE A 121 49.743 -2.924 -3.173 1.00 0.00 O ATOM 504 CB ILE A 121 51.880 -3.265 -0.399 1.00 0.00 C ATOM 505 CG1 ILE A 121 51.623 -3.046 1.094 1.00 0.00 C ATOM 506 CG2 ILE A 121 52.359 -1.956 -1.029 1.00 0.00 C ATOM 507 CD1 ILE A 121 52.905 -3.328 1.879 1.00 0.00 C ATOM 0 H ILE A 121 51.143 -5.516 -0.064 1.00 0.00 H new ATOM 0 HA ILE A 121 49.720 -3.163 -0.706 1.00 0.00 H new ATOM 0 HB ILE A 121 52.646 -4.029 -0.535 1.00 0.00 H new ATOM 0 HG12 ILE A 121 51.293 -2.022 1.271 1.00 0.00 H new ATOM 0 HG13 ILE A 121 50.823 -3.702 1.436 1.00 0.00 H new ATOM 0 HG21 ILE A 121 53.283 -1.637 -0.547 1.00 0.00 H new ATOM 0 HG22 ILE A 121 52.539 -2.109 -2.093 1.00 0.00 H new ATOM 0 HG23 ILE A 121 51.597 -1.188 -0.897 1.00 0.00 H new ATOM 0 HD11 ILE A 121 52.722 -3.172 2.942 1.00 0.00 H new ATOM 0 HD12 ILE A 121 53.215 -4.360 1.711 1.00 0.00 H new ATOM 0 HD13 ILE A 121 53.693 -2.654 1.544 1.00 0.00 H new ATOM 519 N LEU A 122 51.686 -3.943 -3.223 1.00 0.00 N ATOM 520 CA LEU A 122 51.798 -3.754 -4.697 1.00 0.00 C ATOM 521 C LEU A 122 50.622 -4.431 -5.409 1.00 0.00 C ATOM 522 O LEU A 122 49.889 -3.806 -6.146 1.00 0.00 O ATOM 523 CB LEU A 122 53.116 -4.426 -5.084 1.00 0.00 C ATOM 524 CG LEU A 122 54.289 -3.601 -4.551 1.00 0.00 C ATOM 525 CD1 LEU A 122 55.507 -4.507 -4.361 1.00 0.00 C ATOM 526 CD2 LEU A 122 54.633 -2.498 -5.554 1.00 0.00 C ATOM 0 H LEU A 122 52.468 -4.431 -2.787 1.00 0.00 H new ATOM 0 HA LEU A 122 51.778 -2.702 -4.980 1.00 0.00 H new ATOM 0 HB2 LEU A 122 53.154 -5.436 -4.677 1.00 0.00 H new ATOM 0 HB3 LEU A 122 53.185 -4.517 -6.168 1.00 0.00 H new ATOM 0 HG LEU A 122 54.013 -3.155 -3.595 1.00 0.00 H new ATOM 0 HD11 LEU A 122 56.342 -3.919 -3.981 1.00 0.00 H new ATOM 0 HD12 LEU A 122 55.266 -5.296 -3.649 1.00 0.00 H new ATOM 0 HD13 LEU A 122 55.782 -4.952 -5.317 1.00 0.00 H new ATOM 0 HD21 LEU A 122 55.469 -1.910 -5.175 1.00 0.00 H new ATOM 0 HD22 LEU A 122 54.908 -2.947 -6.508 1.00 0.00 H new ATOM 0 HD23 LEU A 122 53.767 -1.851 -5.694 1.00 0.00 H new ATOM 538 N ARG A 123 50.437 -5.705 -5.194 1.00 0.00 N ATOM 539 CA ARG A 123 49.310 -6.419 -5.863 1.00 0.00 C ATOM 540 C ARG A 123 48.005 -5.633 -5.698 1.00 0.00 C ATOM 541 O ARG A 123 47.136 -5.671 -6.546 1.00 0.00 O ATOM 542 CB ARG A 123 49.216 -7.768 -5.151 1.00 0.00 C ATOM 543 CG ARG A 123 50.243 -8.735 -5.743 1.00 0.00 C ATOM 544 CD ARG A 123 49.662 -10.151 -5.756 1.00 0.00 C ATOM 545 NE ARG A 123 50.848 -11.051 -5.825 1.00 0.00 N ATOM 546 CZ ARG A 123 50.920 -11.969 -6.750 1.00 0.00 C ATOM 547 NH1 ARG A 123 49.944 -12.822 -6.903 1.00 0.00 N ATOM 548 NH2 ARG A 123 51.969 -12.034 -7.525 1.00 0.00 N ATOM 0 H ARG A 123 51.016 -6.283 -4.585 1.00 0.00 H new ATOM 0 HA ARG A 123 49.476 -6.533 -6.934 1.00 0.00 H new ATOM 0 HB2 ARG A 123 49.395 -7.640 -4.084 1.00 0.00 H new ATOM 0 HB3 ARG A 123 48.212 -8.178 -5.259 1.00 0.00 H new ATOM 0 HG2 ARG A 123 50.505 -8.429 -6.756 1.00 0.00 H new ATOM 0 HG3 ARG A 123 51.161 -8.712 -5.155 1.00 0.00 H new ATOM 0 HD2 ARG A 123 49.071 -10.344 -4.861 1.00 0.00 H new ATOM 0 HD3 ARG A 123 49.003 -10.300 -6.611 1.00 0.00 H new ATOM 0 HE ARG A 123 51.604 -10.949 -5.148 1.00 0.00 H new ATOM 0 HH11 ARG A 123 49.123 -12.772 -6.299 1.00 0.00 H new ATOM 0 HH12 ARG A 123 50.002 -13.539 -7.626 1.00 0.00 H new ATOM 0 HH21 ARG A 123 52.732 -11.367 -7.407 1.00 0.00 H new ATOM 0 HH22 ARG A 123 52.025 -12.751 -8.248 1.00 0.00 H new ATOM 562 N ALA A 124 47.862 -4.921 -4.612 1.00 0.00 N ATOM 563 CA ALA A 124 46.613 -4.135 -4.391 1.00 0.00 C ATOM 564 C ALA A 124 46.356 -3.200 -5.578 1.00 0.00 C ATOM 565 O ALA A 124 45.295 -3.214 -6.172 1.00 0.00 O ATOM 566 CB ALA A 124 46.874 -3.334 -3.115 1.00 0.00 C ATOM 0 H ALA A 124 48.556 -4.850 -3.868 1.00 0.00 H new ATOM 0 HA ALA A 124 45.733 -4.771 -4.299 1.00 0.00 H new ATOM 0 HB1 ALA A 124 46.000 -2.726 -2.882 1.00 0.00 H new ATOM 0 HB2 ALA A 124 47.071 -4.018 -2.290 1.00 0.00 H new ATOM 0 HB3 ALA A 124 47.738 -2.686 -3.263 1.00 0.00 H new ATOM 572 N THR A 125 47.318 -2.391 -5.930 1.00 0.00 N ATOM 573 CA THR A 125 47.122 -1.462 -7.080 1.00 0.00 C ATOM 574 C THR A 125 47.018 -2.259 -8.385 1.00 0.00 C ATOM 575 O THR A 125 46.407 -3.309 -8.433 1.00 0.00 O ATOM 576 CB THR A 125 48.367 -0.571 -7.085 1.00 0.00 C ATOM 577 OG1 THR A 125 48.337 0.276 -8.226 1.00 0.00 O ATOM 578 CG2 THR A 125 49.620 -1.444 -7.128 1.00 0.00 C ATOM 0 H THR A 125 48.228 -2.333 -5.473 1.00 0.00 H new ATOM 0 HA THR A 125 46.207 -0.876 -6.993 1.00 0.00 H new ATOM 0 HB THR A 125 48.382 0.038 -6.181 1.00 0.00 H new ATOM 0 HG1 THR A 125 47.408 0.412 -8.508 1.00 0.00 H new ATOM 0 HG21 THR A 125 50.506 -0.809 -7.132 1.00 0.00 H new ATOM 0 HG22 THR A 125 49.642 -2.092 -6.252 1.00 0.00 H new ATOM 0 HG23 THR A 125 49.607 -2.054 -8.031 1.00 0.00 H new ATOM 586 N GLY A 126 47.611 -1.777 -9.441 1.00 0.00 N ATOM 587 CA GLY A 126 47.550 -2.514 -10.736 1.00 0.00 C ATOM 588 C GLY A 126 48.966 -2.902 -11.161 1.00 0.00 C ATOM 589 O GLY A 126 49.202 -3.313 -12.279 1.00 0.00 O ATOM 0 H GLY A 126 48.136 -0.903 -9.464 1.00 0.00 H new ATOM 0 HA2 GLY A 126 46.932 -3.406 -10.632 1.00 0.00 H new ATOM 0 HA3 GLY A 126 47.086 -1.892 -11.501 1.00 0.00 H new ATOM 593 N GLU A 127 49.913 -2.763 -10.274 1.00 0.00 N ATOM 594 CA GLU A 127 51.320 -3.109 -10.617 1.00 0.00 C ATOM 595 C GLU A 127 51.561 -4.616 -10.495 1.00 0.00 C ATOM 596 O GLU A 127 51.823 -5.125 -9.422 1.00 0.00 O ATOM 597 CB GLU A 127 52.168 -2.354 -9.592 1.00 0.00 C ATOM 598 CG GLU A 127 52.034 -0.848 -9.821 1.00 0.00 C ATOM 599 CD GLU A 127 53.203 -0.356 -10.677 1.00 0.00 C ATOM 600 OE1 GLU A 127 53.491 -0.996 -11.674 1.00 0.00 O ATOM 601 OE2 GLU A 127 53.791 0.651 -10.318 1.00 0.00 O ATOM 0 H GLU A 127 49.771 -2.423 -9.323 1.00 0.00 H new ATOM 0 HA GLU A 127 51.564 -2.838 -11.644 1.00 0.00 H new ATOM 0 HB2 GLU A 127 51.846 -2.608 -8.582 1.00 0.00 H new ATOM 0 HB3 GLU A 127 53.213 -2.653 -9.679 1.00 0.00 H new ATOM 0 HG2 GLU A 127 51.088 -0.627 -10.316 1.00 0.00 H new ATOM 0 HG3 GLU A 127 52.023 -0.324 -8.865 1.00 0.00 H new ATOM 608 N HIS A 128 51.495 -5.329 -11.586 1.00 0.00 N ATOM 609 CA HIS A 128 51.743 -6.799 -11.533 1.00 0.00 C ATOM 610 C HIS A 128 53.205 -7.052 -11.151 1.00 0.00 C ATOM 611 O HIS A 128 54.079 -7.069 -11.992 1.00 0.00 O ATOM 612 CB HIS A 128 51.463 -7.292 -12.955 1.00 0.00 C ATOM 613 CG HIS A 128 51.030 -8.731 -12.919 1.00 0.00 C ATOM 614 ND1 HIS A 128 51.673 -9.713 -13.654 1.00 0.00 N ATOM 615 CD2 HIS A 128 50.015 -9.368 -12.249 1.00 0.00 C ATOM 616 CE1 HIS A 128 51.044 -10.878 -13.414 1.00 0.00 C ATOM 617 NE2 HIS A 128 50.025 -10.725 -12.565 1.00 0.00 N ATOM 0 H HIS A 128 51.280 -4.958 -12.512 1.00 0.00 H new ATOM 0 HA HIS A 128 51.121 -7.311 -10.798 1.00 0.00 H new ATOM 0 HB2 HIS A 128 50.687 -6.681 -13.415 1.00 0.00 H new ATOM 0 HB3 HIS A 128 52.358 -7.187 -13.569 1.00 0.00 H new ATOM 0 HD2 HIS A 128 49.315 -8.890 -11.579 1.00 0.00 H new ATOM 0 HE1 HIS A 128 51.329 -11.822 -13.855 1.00 0.00 H new ATOM 0 HE2 HIS A 128 49.391 -11.446 -12.222 1.00 0.00 H new ATOM 625 N VAL A 129 53.480 -7.226 -9.887 1.00 0.00 N ATOM 626 CA VAL A 129 54.893 -7.450 -9.457 1.00 0.00 C ATOM 627 C VAL A 129 55.135 -8.926 -9.122 1.00 0.00 C ATOM 628 O VAL A 129 54.262 -9.614 -8.632 1.00 0.00 O ATOM 629 CB VAL A 129 55.064 -6.580 -8.209 1.00 0.00 C ATOM 630 CG1 VAL A 129 56.553 -6.391 -7.922 1.00 0.00 C ATOM 631 CG2 VAL A 129 54.416 -5.213 -8.448 1.00 0.00 C ATOM 0 H VAL A 129 52.791 -7.223 -9.135 1.00 0.00 H new ATOM 0 HA VAL A 129 55.604 -7.193 -10.242 1.00 0.00 H new ATOM 0 HB VAL A 129 54.587 -7.066 -7.358 1.00 0.00 H new ATOM 0 HG11 VAL A 129 56.677 -5.772 -7.034 1.00 0.00 H new ATOM 0 HG12 VAL A 129 57.017 -7.363 -7.754 1.00 0.00 H new ATOM 0 HG13 VAL A 129 57.029 -5.904 -8.773 1.00 0.00 H new ATOM 0 HG21 VAL A 129 54.537 -4.593 -7.560 1.00 0.00 H new ATOM 0 HG22 VAL A 129 54.895 -4.727 -9.298 1.00 0.00 H new ATOM 0 HG23 VAL A 129 53.354 -5.345 -8.656 1.00 0.00 H new ATOM 641 N ILE A 130 56.319 -9.416 -9.379 1.00 0.00 N ATOM 642 CA ILE A 130 56.621 -10.845 -9.072 1.00 0.00 C ATOM 643 C ILE A 130 57.651 -10.938 -7.942 1.00 0.00 C ATOM 644 O ILE A 130 58.379 -10.003 -7.673 1.00 0.00 O ATOM 645 CB ILE A 130 57.191 -11.427 -10.366 1.00 0.00 C ATOM 646 CG1 ILE A 130 58.236 -10.467 -10.941 1.00 0.00 C ATOM 647 CG2 ILE A 130 56.066 -11.618 -11.385 1.00 0.00 C ATOM 648 CD1 ILE A 130 58.988 -11.156 -12.082 1.00 0.00 C ATOM 0 H ILE A 130 57.090 -8.888 -9.788 1.00 0.00 H new ATOM 0 HA ILE A 130 55.735 -11.387 -8.742 1.00 0.00 H new ATOM 0 HB ILE A 130 57.655 -12.390 -10.153 1.00 0.00 H new ATOM 0 HG12 ILE A 130 57.752 -9.561 -11.305 1.00 0.00 H new ATOM 0 HG13 ILE A 130 58.935 -10.164 -10.161 1.00 0.00 H new ATOM 0 HG21 ILE A 130 56.476 -12.033 -12.306 1.00 0.00 H new ATOM 0 HG22 ILE A 130 55.320 -12.301 -10.980 1.00 0.00 H new ATOM 0 HG23 ILE A 130 55.600 -10.656 -11.597 1.00 0.00 H new ATOM 0 HD11 ILE A 130 59.732 -10.473 -12.492 1.00 0.00 H new ATOM 0 HD12 ILE A 130 59.485 -12.049 -11.703 1.00 0.00 H new ATOM 0 HD13 ILE A 130 58.283 -11.437 -12.865 1.00 0.00 H new ATOM 660 N GLU A 131 57.711 -12.058 -7.279 1.00 0.00 N ATOM 661 CA GLU A 131 58.686 -12.217 -6.161 1.00 0.00 C ATOM 662 C GLU A 131 60.052 -11.633 -6.539 1.00 0.00 C ATOM 663 O GLU A 131 60.649 -10.891 -5.785 1.00 0.00 O ATOM 664 CB GLU A 131 58.793 -13.726 -5.948 1.00 0.00 C ATOM 665 CG GLU A 131 58.096 -14.109 -4.642 1.00 0.00 C ATOM 666 CD GLU A 131 56.648 -14.503 -4.934 1.00 0.00 C ATOM 667 OE1 GLU A 131 56.224 -14.328 -6.065 1.00 0.00 O ATOM 668 OE2 GLU A 131 55.986 -14.973 -4.024 1.00 0.00 O ATOM 0 H GLU A 131 57.126 -12.873 -7.462 1.00 0.00 H new ATOM 0 HA GLU A 131 58.363 -11.692 -5.262 1.00 0.00 H new ATOM 0 HB2 GLU A 131 58.337 -14.255 -6.785 1.00 0.00 H new ATOM 0 HB3 GLU A 131 59.840 -14.026 -5.915 1.00 0.00 H new ATOM 0 HG2 GLU A 131 58.621 -14.938 -4.167 1.00 0.00 H new ATOM 0 HG3 GLU A 131 58.123 -13.272 -3.944 1.00 0.00 H new ATOM 675 N GLU A 132 60.556 -11.966 -7.697 1.00 0.00 N ATOM 676 CA GLU A 132 61.884 -11.435 -8.111 1.00 0.00 C ATOM 677 C GLU A 132 61.954 -9.923 -7.862 1.00 0.00 C ATOM 678 O GLU A 132 63.002 -9.386 -7.558 1.00 0.00 O ATOM 679 CB GLU A 132 61.982 -11.758 -9.608 1.00 0.00 C ATOM 680 CG GLU A 132 62.859 -10.720 -10.311 1.00 0.00 C ATOM 681 CD GLU A 132 63.304 -11.257 -11.671 1.00 0.00 C ATOM 682 OE1 GLU A 132 63.180 -12.452 -11.882 1.00 0.00 O ATOM 683 OE2 GLU A 132 63.762 -10.464 -12.477 1.00 0.00 O ATOM 0 H GLU A 132 60.105 -12.582 -8.373 1.00 0.00 H new ATOM 0 HA GLU A 132 62.707 -11.875 -7.548 1.00 0.00 H new ATOM 0 HB2 GLU A 132 62.401 -12.754 -9.747 1.00 0.00 H new ATOM 0 HB3 GLU A 132 60.987 -11.766 -10.053 1.00 0.00 H new ATOM 0 HG2 GLU A 132 62.306 -9.790 -10.440 1.00 0.00 H new ATOM 0 HG3 GLU A 132 63.730 -10.490 -9.697 1.00 0.00 H new ATOM 690 N ASP A 133 60.854 -9.233 -7.987 1.00 0.00 N ATOM 691 CA ASP A 133 60.871 -7.762 -7.757 1.00 0.00 C ATOM 692 C ASP A 133 60.657 -7.477 -6.274 1.00 0.00 C ATOM 693 O ASP A 133 61.386 -6.722 -5.663 1.00 0.00 O ATOM 694 CB ASP A 133 59.717 -7.210 -8.594 1.00 0.00 C ATOM 695 CG ASP A 133 60.271 -6.264 -9.662 1.00 0.00 C ATOM 696 OD1 ASP A 133 60.644 -6.748 -10.719 1.00 0.00 O ATOM 697 OD2 ASP A 133 60.314 -5.073 -9.404 1.00 0.00 O ATOM 0 H ASP A 133 59.946 -9.624 -8.238 1.00 0.00 H new ATOM 0 HA ASP A 133 61.818 -7.302 -8.039 1.00 0.00 H new ATOM 0 HB2 ASP A 133 59.171 -8.028 -9.065 1.00 0.00 H new ATOM 0 HB3 ASP A 133 59.010 -6.681 -7.955 1.00 0.00 H new ATOM 702 N ILE A 134 59.672 -8.092 -5.687 1.00 0.00 N ATOM 703 CA ILE A 134 59.418 -7.876 -4.239 1.00 0.00 C ATOM 704 C ILE A 134 60.644 -8.306 -3.436 1.00 0.00 C ATOM 705 O ILE A 134 61.065 -7.638 -2.511 1.00 0.00 O ATOM 706 CB ILE A 134 58.232 -8.775 -3.918 1.00 0.00 C ATOM 707 CG1 ILE A 134 57.050 -8.373 -4.807 1.00 0.00 C ATOM 708 CG2 ILE A 134 57.867 -8.615 -2.443 1.00 0.00 C ATOM 709 CD1 ILE A 134 55.793 -9.127 -4.371 1.00 0.00 C ATOM 0 H ILE A 134 59.030 -8.737 -6.149 1.00 0.00 H new ATOM 0 HA ILE A 134 59.218 -6.833 -3.995 1.00 0.00 H new ATOM 0 HB ILE A 134 58.484 -9.818 -4.108 1.00 0.00 H new ATOM 0 HG12 ILE A 134 56.882 -7.298 -4.740 1.00 0.00 H new ATOM 0 HG13 ILE A 134 57.275 -8.596 -5.850 1.00 0.00 H new ATOM 0 HG21 ILE A 134 57.018 -9.256 -2.207 1.00 0.00 H new ATOM 0 HG22 ILE A 134 58.719 -8.898 -1.825 1.00 0.00 H new ATOM 0 HG23 ILE A 134 57.603 -7.576 -2.244 1.00 0.00 H new ATOM 0 HD11 ILE A 134 54.956 -8.837 -5.006 1.00 0.00 H new ATOM 0 HD12 ILE A 134 55.963 -10.200 -4.461 1.00 0.00 H new ATOM 0 HD13 ILE A 134 55.563 -8.882 -3.334 1.00 0.00 H new ATOM 721 N GLU A 135 61.223 -9.419 -3.791 1.00 0.00 N ATOM 722 CA GLU A 135 62.428 -9.903 -3.062 1.00 0.00 C ATOM 723 C GLU A 135 63.540 -8.855 -3.143 1.00 0.00 C ATOM 724 O GLU A 135 63.999 -8.339 -2.144 1.00 0.00 O ATOM 725 CB GLU A 135 62.844 -11.178 -3.795 1.00 0.00 C ATOM 726 CG GLU A 135 62.039 -12.363 -3.258 1.00 0.00 C ATOM 727 CD GLU A 135 62.752 -12.955 -2.044 1.00 0.00 C ATOM 728 OE1 GLU A 135 63.820 -12.467 -1.711 1.00 0.00 O ATOM 729 OE2 GLU A 135 62.219 -13.889 -1.466 1.00 0.00 O ATOM 0 H GLU A 135 60.912 -10.016 -4.557 1.00 0.00 H new ATOM 0 HA GLU A 135 62.232 -10.085 -2.005 1.00 0.00 H new ATOM 0 HB2 GLU A 135 62.675 -11.066 -4.866 1.00 0.00 H new ATOM 0 HB3 GLU A 135 63.910 -11.357 -3.658 1.00 0.00 H new ATOM 0 HG2 GLU A 135 61.036 -12.039 -2.982 1.00 0.00 H new ATOM 0 HG3 GLU A 135 61.927 -13.121 -4.033 1.00 0.00 H new ATOM 736 N ASP A 136 63.971 -8.537 -4.332 1.00 0.00 N ATOM 737 CA ASP A 136 65.050 -7.523 -4.494 1.00 0.00 C ATOM 738 C ASP A 136 64.699 -6.248 -3.720 1.00 0.00 C ATOM 739 O ASP A 136 65.523 -5.685 -3.027 1.00 0.00 O ATOM 740 CB ASP A 136 65.097 -7.239 -5.996 1.00 0.00 C ATOM 741 CG ASP A 136 66.416 -6.548 -6.346 1.00 0.00 C ATOM 742 OD1 ASP A 136 67.437 -7.216 -6.318 1.00 0.00 O ATOM 743 OD2 ASP A 136 66.383 -5.364 -6.637 1.00 0.00 O ATOM 0 H ASP A 136 63.621 -8.938 -5.202 1.00 0.00 H new ATOM 0 HA ASP A 136 66.009 -7.873 -4.111 1.00 0.00 H new ATOM 0 HB2 ASP A 136 65.003 -8.170 -6.556 1.00 0.00 H new ATOM 0 HB3 ASP A 136 64.256 -6.608 -6.284 1.00 0.00 H new ATOM 748 N LEU A 137 63.482 -5.788 -3.837 1.00 0.00 N ATOM 749 CA LEU A 137 63.079 -4.547 -3.112 1.00 0.00 C ATOM 750 C LEU A 137 63.506 -4.612 -1.644 1.00 0.00 C ATOM 751 O LEU A 137 64.014 -3.655 -1.096 1.00 0.00 O ATOM 752 CB LEU A 137 61.554 -4.500 -3.214 1.00 0.00 C ATOM 753 CG LEU A 137 61.133 -3.297 -4.057 1.00 0.00 C ATOM 754 CD1 LEU A 137 60.777 -3.765 -5.470 1.00 0.00 C ATOM 755 CD2 LEU A 137 59.911 -2.631 -3.419 1.00 0.00 C ATOM 0 H LEU A 137 62.750 -6.217 -4.403 1.00 0.00 H new ATOM 0 HA LEU A 137 63.550 -3.662 -3.539 1.00 0.00 H new ATOM 0 HB2 LEU A 137 61.181 -5.420 -3.664 1.00 0.00 H new ATOM 0 HB3 LEU A 137 61.115 -4.431 -2.219 1.00 0.00 H new ATOM 0 HG LEU A 137 61.954 -2.582 -4.106 1.00 0.00 H new ATOM 0 HD11 LEU A 137 60.476 -2.908 -6.072 1.00 0.00 H new ATOM 0 HD12 LEU A 137 61.645 -4.242 -5.925 1.00 0.00 H new ATOM 0 HD13 LEU A 137 59.955 -4.479 -5.420 1.00 0.00 H new ATOM 0 HD21 LEU A 137 59.610 -1.773 -4.019 1.00 0.00 H new ATOM 0 HD22 LEU A 137 59.090 -3.347 -3.371 1.00 0.00 H new ATOM 0 HD23 LEU A 137 60.162 -2.299 -2.412 1.00 0.00 H new ATOM 767 N MET A 138 63.302 -5.728 -1.001 1.00 0.00 N ATOM 768 CA MET A 138 63.695 -5.840 0.429 1.00 0.00 C ATOM 769 C MET A 138 65.204 -5.660 0.565 1.00 0.00 C ATOM 770 O MET A 138 65.681 -4.903 1.387 1.00 0.00 O ATOM 771 CB MET A 138 63.277 -7.250 0.847 1.00 0.00 C ATOM 772 CG MET A 138 63.976 -7.627 2.154 1.00 0.00 C ATOM 773 SD MET A 138 62.737 -8.079 3.395 1.00 0.00 S ATOM 774 CE MET A 138 62.067 -6.419 3.670 1.00 0.00 C ATOM 0 H MET A 138 62.881 -6.565 -1.404 1.00 0.00 H new ATOM 0 HA MET A 138 63.225 -5.080 1.053 1.00 0.00 H new ATOM 0 HB2 MET A 138 62.196 -7.297 0.975 1.00 0.00 H new ATOM 0 HB3 MET A 138 63.537 -7.964 0.065 1.00 0.00 H new ATOM 0 HG2 MET A 138 64.659 -8.460 1.986 1.00 0.00 H new ATOM 0 HG3 MET A 138 64.576 -6.790 2.512 1.00 0.00 H new ATOM 0 HE1 MET A 138 61.459 -6.417 4.575 1.00 0.00 H new ATOM 0 HE2 MET A 138 62.887 -5.710 3.782 1.00 0.00 H new ATOM 0 HE3 MET A 138 61.451 -6.130 2.819 1.00 0.00 H new ATOM 784 N LYS A 139 65.959 -6.351 -0.241 1.00 0.00 N ATOM 785 CA LYS A 139 67.438 -6.222 -0.165 1.00 0.00 C ATOM 786 C LYS A 139 67.877 -4.864 -0.721 1.00 0.00 C ATOM 787 O LYS A 139 68.808 -4.254 -0.236 1.00 0.00 O ATOM 788 CB LYS A 139 67.975 -7.361 -1.029 1.00 0.00 C ATOM 789 CG LYS A 139 69.462 -7.571 -0.736 1.00 0.00 C ATOM 790 CD LYS A 139 69.921 -8.891 -1.355 1.00 0.00 C ATOM 791 CE LYS A 139 70.477 -8.628 -2.755 1.00 0.00 C ATOM 792 NZ LYS A 139 69.634 -9.454 -3.663 1.00 0.00 N ATOM 0 H LYS A 139 65.615 -7.000 -0.949 1.00 0.00 H new ATOM 0 HA LYS A 139 67.810 -6.278 0.858 1.00 0.00 H new ATOM 0 HB2 LYS A 139 67.421 -8.277 -0.826 1.00 0.00 H new ATOM 0 HB3 LYS A 139 67.831 -7.129 -2.084 1.00 0.00 H new ATOM 0 HG2 LYS A 139 70.044 -6.744 -1.143 1.00 0.00 H new ATOM 0 HG3 LYS A 139 69.634 -7.582 0.340 1.00 0.00 H new ATOM 0 HD2 LYS A 139 70.685 -9.353 -0.729 1.00 0.00 H new ATOM 0 HD3 LYS A 139 69.087 -9.590 -1.408 1.00 0.00 H new ATOM 0 HE2 LYS A 139 70.416 -7.571 -3.012 1.00 0.00 H new ATOM 0 HE3 LYS A 139 71.527 -8.912 -2.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 69.954 -9.327 -4.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 69.717 -10.456 -3.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 68.641 -9.156 -3.581 1.00 0.00 H new ATOM 806 N ASP A 140 67.209 -4.389 -1.736 1.00 0.00 N ATOM 807 CA ASP A 140 67.579 -3.072 -2.331 1.00 0.00 C ATOM 808 C ASP A 140 67.300 -1.940 -1.338 1.00 0.00 C ATOM 809 O ASP A 140 67.804 -0.843 -1.476 1.00 0.00 O ATOM 810 CB ASP A 140 66.684 -2.937 -3.565 1.00 0.00 C ATOM 811 CG ASP A 140 67.362 -2.029 -4.593 1.00 0.00 C ATOM 812 OD1 ASP A 140 67.423 -0.834 -4.351 1.00 0.00 O ATOM 813 OD2 ASP A 140 67.807 -2.544 -5.605 1.00 0.00 O ATOM 0 H ASP A 140 66.420 -4.857 -2.181 1.00 0.00 H new ATOM 0 HA ASP A 140 68.638 -3.014 -2.582 1.00 0.00 H new ATOM 0 HB2 ASP A 140 66.496 -3.919 -4.000 1.00 0.00 H new ATOM 0 HB3 ASP A 140 65.716 -2.523 -3.281 1.00 0.00 H new ATOM 818 N SER A 141 66.496 -2.192 -0.343 1.00 0.00 N ATOM 819 CA SER A 141 66.183 -1.124 0.649 1.00 0.00 C ATOM 820 C SER A 141 66.969 -1.338 1.944 1.00 0.00 C ATOM 821 O SER A 141 67.767 -0.512 2.338 1.00 0.00 O ATOM 822 CB SER A 141 64.688 -1.265 0.919 1.00 0.00 C ATOM 823 OG SER A 141 64.132 0.012 1.207 1.00 0.00 O ATOM 0 H SER A 141 66.042 -3.090 -0.173 1.00 0.00 H new ATOM 0 HA SER A 141 66.450 -0.135 0.276 1.00 0.00 H new ATOM 0 HB2 SER A 141 64.191 -1.702 0.053 1.00 0.00 H new ATOM 0 HB3 SER A 141 64.522 -1.942 1.757 1.00 0.00 H new ATOM 0 HG SER A 141 64.854 0.661 1.341 1.00 0.00 H new ATOM 829 N ASP A 142 66.732 -2.437 2.612 1.00 0.00 N ATOM 830 CA ASP A 142 67.448 -2.715 3.893 1.00 0.00 C ATOM 831 C ASP A 142 68.901 -2.242 3.815 1.00 0.00 C ATOM 832 O ASP A 142 69.718 -2.821 3.128 1.00 0.00 O ATOM 833 CB ASP A 142 67.387 -4.234 4.059 1.00 0.00 C ATOM 834 CG ASP A 142 67.244 -4.579 5.543 1.00 0.00 C ATOM 835 OD1 ASP A 142 67.923 -3.959 6.345 1.00 0.00 O ATOM 836 OD2 ASP A 142 66.457 -5.459 5.854 1.00 0.00 O ATOM 0 H ASP A 142 66.070 -3.158 2.324 1.00 0.00 H new ATOM 0 HA ASP A 142 66.995 -2.191 4.735 1.00 0.00 H new ATOM 0 HB2 ASP A 142 66.545 -4.638 3.498 1.00 0.00 H new ATOM 0 HB3 ASP A 142 68.289 -4.692 3.653 1.00 0.00 H new ATOM 841 N LYS A 143 69.224 -1.193 4.520 1.00 0.00 N ATOM 842 CA LYS A 143 70.624 -0.679 4.494 1.00 0.00 C ATOM 843 C LYS A 143 71.484 -1.463 5.487 1.00 0.00 C ATOM 844 O LYS A 143 72.695 -1.363 5.492 1.00 0.00 O ATOM 845 CB LYS A 143 70.521 0.789 4.917 1.00 0.00 C ATOM 846 CG LYS A 143 71.096 1.683 3.815 1.00 0.00 C ATOM 847 CD LYS A 143 70.372 3.031 3.819 1.00 0.00 C ATOM 848 CE LYS A 143 71.383 4.156 4.059 1.00 0.00 C ATOM 849 NZ LYS A 143 72.149 4.263 2.787 1.00 0.00 N ATOM 0 H LYS A 143 68.580 -0.669 5.113 1.00 0.00 H new ATOM 0 HA LYS A 143 71.086 -0.785 3.512 1.00 0.00 H new ATOM 0 HB2 LYS A 143 69.480 1.051 5.106 1.00 0.00 H new ATOM 0 HB3 LYS A 143 71.064 0.948 5.849 1.00 0.00 H new ATOM 0 HG2 LYS A 143 72.164 1.832 3.974 1.00 0.00 H new ATOM 0 HG3 LYS A 143 70.982 1.200 2.844 1.00 0.00 H new ATOM 0 HD2 LYS A 143 69.861 3.184 2.868 1.00 0.00 H new ATOM 0 HD3 LYS A 143 69.608 3.043 4.596 1.00 0.00 H new ATOM 0 HE2 LYS A 143 70.881 5.094 4.298 1.00 0.00 H new ATOM 0 HE3 LYS A 143 72.040 3.924 4.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 73.148 4.035 2.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 71.759 3.597 2.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 72.075 5.232 2.418 1.00 0.00 H new ATOM 863 N ASN A 144 70.864 -2.246 6.328 1.00 0.00 N ATOM 864 CA ASN A 144 71.643 -3.039 7.321 1.00 0.00 C ATOM 865 C ASN A 144 71.169 -4.498 7.321 1.00 0.00 C ATOM 866 O ASN A 144 71.614 -5.306 8.111 1.00 0.00 O ATOM 867 CB ASN A 144 71.366 -2.367 8.669 1.00 0.00 C ATOM 868 CG ASN A 144 69.997 -2.800 9.200 1.00 0.00 C ATOM 869 OD1 ASN A 144 69.913 -3.580 10.128 1.00 0.00 O ATOM 870 ND2 ASN A 144 68.915 -2.324 8.646 1.00 0.00 N ATOM 0 H ASN A 144 69.853 -2.371 6.370 1.00 0.00 H new ATOM 0 HA ASN A 144 72.709 -3.060 7.096 1.00 0.00 H new ATOM 0 HB2 ASN A 144 72.144 -2.635 9.384 1.00 0.00 H new ATOM 0 HB3 ASN A 144 71.395 -1.283 8.557 1.00 0.00 H new ATOM 0 HD21 ASN A 144 67.998 -2.607 8.992 1.00 0.00 H new ATOM 0 HD22 ASN A 144 68.987 -1.669 7.867 1.00 0.00 H new ATOM 877 N ASN A 145 70.274 -4.835 6.434 1.00 0.00 N ATOM 878 CA ASN A 145 69.771 -6.238 6.369 1.00 0.00 C ATOM 879 C ASN A 145 69.096 -6.634 7.684 1.00 0.00 C ATOM 880 O ASN A 145 69.357 -7.685 8.232 1.00 0.00 O ATOM 881 CB ASN A 145 71.011 -7.099 6.129 1.00 0.00 C ATOM 882 CG ASN A 145 71.873 -6.463 5.037 1.00 0.00 C ATOM 883 OD1 ASN A 145 72.396 -5.381 5.212 1.00 0.00 O ATOM 884 ND2 ASN A 145 72.047 -7.095 3.909 1.00 0.00 N ATOM 0 H ASN A 145 69.868 -4.198 5.749 1.00 0.00 H new ATOM 0 HA ASN A 145 69.026 -6.363 5.583 1.00 0.00 H new ATOM 0 HB2 ASN A 145 71.585 -7.193 7.051 1.00 0.00 H new ATOM 0 HB3 ASN A 145 70.716 -8.106 5.833 1.00 0.00 H new ATOM 0 HD21 ASN A 145 72.622 -6.680 3.175 1.00 0.00 H new ATOM 0 HD22 ASN A 145 71.608 -8.004 3.761 1.00 0.00 H new ATOM 891 N ASP A 146 68.224 -5.809 8.190 1.00 0.00 N ATOM 892 CA ASP A 146 67.532 -6.155 9.465 1.00 0.00 C ATOM 893 C ASP A 146 66.356 -7.097 9.180 1.00 0.00 C ATOM 894 O ASP A 146 65.765 -7.659 10.082 1.00 0.00 O ATOM 895 CB ASP A 146 67.036 -4.824 10.031 1.00 0.00 C ATOM 896 CG ASP A 146 65.956 -4.246 9.114 1.00 0.00 C ATOM 897 OD1 ASP A 146 65.785 -4.774 8.028 1.00 0.00 O ATOM 898 OD2 ASP A 146 65.320 -3.285 9.515 1.00 0.00 O ATOM 0 H ASP A 146 67.960 -4.913 7.779 1.00 0.00 H new ATOM 0 HA ASP A 146 68.189 -6.667 10.168 1.00 0.00 H new ATOM 0 HB2 ASP A 146 66.635 -4.971 11.034 1.00 0.00 H new ATOM 0 HB3 ASP A 146 67.866 -4.123 10.119 1.00 0.00 H new ATOM 903 N GLY A 147 66.018 -7.276 7.932 1.00 0.00 N ATOM 904 CA GLY A 147 64.886 -8.185 7.586 1.00 0.00 C ATOM 905 C GLY A 147 63.593 -7.377 7.459 1.00 0.00 C ATOM 906 O GLY A 147 62.518 -7.928 7.334 1.00 0.00 O ATOM 0 H GLY A 147 66.476 -6.832 7.136 1.00 0.00 H new ATOM 0 HA2 GLY A 147 65.096 -8.702 6.650 1.00 0.00 H new ATOM 0 HA3 GLY A 147 64.774 -8.950 8.354 1.00 0.00 H new ATOM 910 N ARG A 148 63.686 -6.077 7.490 1.00 0.00 N ATOM 911 CA ARG A 148 62.457 -5.241 7.370 1.00 0.00 C ATOM 912 C ARG A 148 62.819 -3.828 6.898 1.00 0.00 C ATOM 913 O ARG A 148 63.813 -3.262 7.308 1.00 0.00 O ATOM 914 CB ARG A 148 61.859 -5.212 8.781 1.00 0.00 C ATOM 915 CG ARG A 148 60.685 -6.193 8.861 1.00 0.00 C ATOM 916 CD ARG A 148 59.902 -5.951 10.154 1.00 0.00 C ATOM 917 NE ARG A 148 59.133 -7.206 10.383 1.00 0.00 N ATOM 918 CZ ARG A 148 59.172 -7.791 11.547 1.00 0.00 C ATOM 919 NH1 ARG A 148 60.134 -8.626 11.826 1.00 0.00 N ATOM 920 NH2 ARG A 148 58.246 -7.542 12.437 1.00 0.00 N ATOM 0 H ARG A 148 64.558 -5.557 7.593 1.00 0.00 H new ATOM 0 HA ARG A 148 61.752 -5.641 6.641 1.00 0.00 H new ATOM 0 HB2 ARG A 148 62.620 -5.479 9.515 1.00 0.00 H new ATOM 0 HB3 ARG A 148 61.521 -4.204 9.023 1.00 0.00 H new ATOM 0 HG2 ARG A 148 60.031 -6.065 7.998 1.00 0.00 H new ATOM 0 HG3 ARG A 148 61.052 -7.219 8.833 1.00 0.00 H new ATOM 0 HD2 ARG A 148 60.572 -5.742 10.988 1.00 0.00 H new ATOM 0 HD3 ARG A 148 59.237 -5.093 10.057 1.00 0.00 H new ATOM 0 HE ARG A 148 58.576 -7.608 9.629 1.00 0.00 H new ATOM 0 HH11 ARG A 148 60.857 -8.822 11.133 1.00 0.00 H new ATOM 0 HH12 ARG A 148 60.164 -9.083 12.737 1.00 0.00 H new ATOM 0 HH21 ARG A 148 57.493 -6.890 12.220 1.00 0.00 H new ATOM 0 HH22 ARG A 148 58.277 -8.000 13.348 1.00 0.00 H new ATOM 934 N ILE A 149 62.025 -3.261 6.028 1.00 0.00 N ATOM 935 CA ILE A 149 62.326 -1.889 5.518 1.00 0.00 C ATOM 936 C ILE A 149 61.800 -0.833 6.495 1.00 0.00 C ATOM 937 O ILE A 149 60.625 -0.790 6.800 1.00 0.00 O ATOM 938 CB ILE A 149 61.588 -1.798 4.178 1.00 0.00 C ATOM 939 CG1 ILE A 149 62.386 -2.536 3.104 1.00 0.00 C ATOM 940 CG2 ILE A 149 61.435 -0.330 3.770 1.00 0.00 C ATOM 941 CD1 ILE A 149 61.440 -3.411 2.277 1.00 0.00 C ATOM 0 H ILE A 149 61.180 -3.688 5.648 1.00 0.00 H new ATOM 0 HA ILE A 149 63.396 -1.712 5.409 1.00 0.00 H new ATOM 0 HB ILE A 149 60.602 -2.252 4.281 1.00 0.00 H new ATOM 0 HG12 ILE A 149 62.895 -1.821 2.458 1.00 0.00 H new ATOM 0 HG13 ILE A 149 63.157 -3.152 3.567 1.00 0.00 H new ATOM 0 HG21 ILE A 149 60.910 -0.270 2.817 1.00 0.00 H new ATOM 0 HG22 ILE A 149 60.866 0.202 4.532 1.00 0.00 H new ATOM 0 HG23 ILE A 149 62.421 0.125 3.670 1.00 0.00 H new ATOM 0 HD11 ILE A 149 62.008 -3.938 1.511 1.00 0.00 H new ATOM 0 HD12 ILE A 149 60.951 -4.135 2.929 1.00 0.00 H new ATOM 0 HD13 ILE A 149 60.686 -2.783 1.802 1.00 0.00 H new ATOM 953 N ASP A 150 62.658 0.023 6.985 1.00 0.00 N ATOM 954 CA ASP A 150 62.197 1.073 7.937 1.00 0.00 C ATOM 955 C ASP A 150 62.054 2.419 7.217 1.00 0.00 C ATOM 956 O ASP A 150 62.193 2.508 6.013 1.00 0.00 O ATOM 957 CB ASP A 150 63.282 1.144 9.012 1.00 0.00 C ATOM 958 CG ASP A 150 64.643 1.387 8.358 1.00 0.00 C ATOM 959 OD1 ASP A 150 64.736 2.290 7.544 1.00 0.00 O ATOM 960 OD2 ASP A 150 65.570 0.664 8.683 1.00 0.00 O ATOM 0 H ASP A 150 63.654 0.040 6.767 1.00 0.00 H new ATOM 0 HA ASP A 150 61.221 0.841 8.364 1.00 0.00 H new ATOM 0 HB2 ASP A 150 63.058 1.946 9.716 1.00 0.00 H new ATOM 0 HB3 ASP A 150 63.303 0.216 9.583 1.00 0.00 H new ATOM 965 N PHE A 151 61.768 3.463 7.947 1.00 0.00 N ATOM 966 CA PHE A 151 61.599 4.806 7.314 1.00 0.00 C ATOM 967 C PHE A 151 62.818 5.165 6.456 1.00 0.00 C ATOM 968 O PHE A 151 62.698 5.455 5.282 1.00 0.00 O ATOM 969 CB PHE A 151 61.472 5.783 8.485 1.00 0.00 C ATOM 970 CG PHE A 151 60.275 5.415 9.329 1.00 0.00 C ATOM 971 CD1 PHE A 151 58.984 5.704 8.874 1.00 0.00 C ATOM 972 CD2 PHE A 151 60.458 4.783 10.566 1.00 0.00 C ATOM 973 CE1 PHE A 151 57.873 5.363 9.656 1.00 0.00 C ATOM 974 CE2 PHE A 151 59.348 4.443 11.348 1.00 0.00 C ATOM 975 CZ PHE A 151 58.054 4.732 10.893 1.00 0.00 C ATOM 0 H PHE A 151 61.643 3.445 8.959 1.00 0.00 H new ATOM 0 HA PHE A 151 60.733 4.834 6.653 1.00 0.00 H new ATOM 0 HB2 PHE A 151 62.378 5.758 9.091 1.00 0.00 H new ATOM 0 HB3 PHE A 151 61.366 6.801 8.111 1.00 0.00 H new ATOM 0 HD1 PHE A 151 58.844 6.190 7.920 1.00 0.00 H new ATOM 0 HD2 PHE A 151 61.455 4.558 10.916 1.00 0.00 H new ATOM 0 HE1 PHE A 151 56.877 5.587 9.305 1.00 0.00 H new ATOM 0 HE2 PHE A 151 59.489 3.958 12.303 1.00 0.00 H new ATOM 0 HZ PHE A 151 57.198 4.468 11.496 1.00 0.00 H new ATOM 985 N ASP A 152 63.985 5.161 7.034 1.00 0.00 N ATOM 986 CA ASP A 152 65.205 5.517 6.255 1.00 0.00 C ATOM 987 C ASP A 152 65.260 4.730 4.945 1.00 0.00 C ATOM 988 O ASP A 152 65.223 5.292 3.868 1.00 0.00 O ATOM 989 CB ASP A 152 66.378 5.130 7.157 1.00 0.00 C ATOM 990 CG ASP A 152 67.025 6.391 7.732 1.00 0.00 C ATOM 991 OD1 ASP A 152 67.847 6.976 7.045 1.00 0.00 O ATOM 992 OD2 ASP A 152 66.689 6.750 8.848 1.00 0.00 O ATOM 0 H ASP A 152 64.148 4.927 8.013 1.00 0.00 H new ATOM 0 HA ASP A 152 65.221 6.573 5.987 1.00 0.00 H new ATOM 0 HB2 ASP A 152 66.031 4.487 7.966 1.00 0.00 H new ATOM 0 HB3 ASP A 152 67.113 4.559 6.589 1.00 0.00 H new ATOM 997 N GLU A 153 65.361 3.434 5.027 1.00 0.00 N ATOM 998 CA GLU A 153 65.433 2.609 3.788 1.00 0.00 C ATOM 999 C GLU A 153 64.231 2.881 2.879 1.00 0.00 C ATOM 1000 O GLU A 153 64.353 2.899 1.669 1.00 0.00 O ATOM 1001 CB GLU A 153 65.441 1.163 4.283 1.00 0.00 C ATOM 1002 CG GLU A 153 66.752 0.904 5.019 1.00 0.00 C ATOM 1003 CD GLU A 153 66.502 -0.031 6.201 1.00 0.00 C ATOM 1004 OE1 GLU A 153 65.351 -0.362 6.437 1.00 0.00 O ATOM 1005 OE2 GLU A 153 67.466 -0.398 6.853 1.00 0.00 O ATOM 0 H GLU A 153 65.397 2.908 5.900 1.00 0.00 H new ATOM 0 HA GLU A 153 66.315 2.838 3.190 1.00 0.00 H new ATOM 0 HB2 GLU A 153 64.594 0.986 4.946 1.00 0.00 H new ATOM 0 HB3 GLU A 153 65.337 0.476 3.443 1.00 0.00 H new ATOM 0 HG2 GLU A 153 67.480 0.461 4.340 1.00 0.00 H new ATOM 0 HG3 GLU A 153 67.175 1.845 5.370 1.00 0.00 H new ATOM 1012 N PHE A 154 63.072 3.101 3.440 1.00 0.00 N ATOM 1013 CA PHE A 154 61.881 3.378 2.583 1.00 0.00 C ATOM 1014 C PHE A 154 62.092 4.674 1.798 1.00 0.00 C ATOM 1015 O PHE A 154 62.007 4.699 0.586 1.00 0.00 O ATOM 1016 CB PHE A 154 60.710 3.529 3.555 1.00 0.00 C ATOM 1017 CG PHE A 154 59.426 3.668 2.772 1.00 0.00 C ATOM 1018 CD1 PHE A 154 58.731 2.525 2.356 1.00 0.00 C ATOM 1019 CD2 PHE A 154 58.932 4.940 2.457 1.00 0.00 C ATOM 1020 CE1 PHE A 154 57.544 2.654 1.626 1.00 0.00 C ATOM 1021 CE2 PHE A 154 57.744 5.069 1.728 1.00 0.00 C ATOM 1022 CZ PHE A 154 57.050 3.926 1.312 1.00 0.00 C ATOM 0 H PHE A 154 62.898 3.101 4.445 1.00 0.00 H new ATOM 0 HA PHE A 154 61.704 2.585 1.857 1.00 0.00 H new ATOM 0 HB2 PHE A 154 60.655 2.663 4.214 1.00 0.00 H new ATOM 0 HB3 PHE A 154 60.859 4.403 4.189 1.00 0.00 H new ATOM 0 HD1 PHE A 154 59.111 1.544 2.599 1.00 0.00 H new ATOM 0 HD2 PHE A 154 59.468 5.822 2.777 1.00 0.00 H new ATOM 0 HE1 PHE A 154 57.009 1.772 1.305 1.00 0.00 H new ATOM 0 HE2 PHE A 154 57.363 6.050 1.486 1.00 0.00 H new ATOM 0 HZ PHE A 154 56.134 4.026 0.749 1.00 0.00 H new ATOM 1032 N LEU A 155 62.366 5.750 2.483 1.00 0.00 N ATOM 1033 CA LEU A 155 62.582 7.048 1.782 1.00 0.00 C ATOM 1034 C LEU A 155 63.670 6.903 0.714 1.00 0.00 C ATOM 1035 O LEU A 155 63.554 7.424 -0.377 1.00 0.00 O ATOM 1036 CB LEU A 155 63.034 8.016 2.878 1.00 0.00 C ATOM 1037 CG LEU A 155 61.808 8.616 3.568 1.00 0.00 C ATOM 1038 CD1 LEU A 155 62.212 9.181 4.931 1.00 0.00 C ATOM 1039 CD2 LEU A 155 61.235 9.739 2.701 1.00 0.00 C ATOM 0 H LEU A 155 62.450 5.787 3.499 1.00 0.00 H new ATOM 0 HA LEU A 155 61.684 7.395 1.272 1.00 0.00 H new ATOM 0 HB2 LEU A 155 63.654 7.493 3.606 1.00 0.00 H new ATOM 0 HB3 LEU A 155 63.646 8.809 2.448 1.00 0.00 H new ATOM 0 HG LEU A 155 61.054 7.841 3.706 1.00 0.00 H new ATOM 0 HD11 LEU A 155 61.337 9.608 5.422 1.00 0.00 H new ATOM 0 HD12 LEU A 155 62.621 8.382 5.549 1.00 0.00 H new ATOM 0 HD13 LEU A 155 62.966 9.956 4.795 1.00 0.00 H new ATOM 0 HD21 LEU A 155 60.361 10.168 3.192 1.00 0.00 H new ATOM 0 HD22 LEU A 155 61.990 10.513 2.563 1.00 0.00 H new ATOM 0 HD23 LEU A 155 60.945 9.337 1.730 1.00 0.00 H new ATOM 1051 N LYS A 156 64.731 6.206 1.022 1.00 0.00 N ATOM 1052 CA LYS A 156 65.830 6.035 0.027 1.00 0.00 C ATOM 1053 C LYS A 156 65.310 5.365 -1.249 1.00 0.00 C ATOM 1054 O LYS A 156 65.348 5.934 -2.322 1.00 0.00 O ATOM 1055 CB LYS A 156 66.851 5.131 0.721 1.00 0.00 C ATOM 1056 CG LYS A 156 68.239 5.763 0.623 1.00 0.00 C ATOM 1057 CD LYS A 156 68.250 7.076 1.408 1.00 0.00 C ATOM 1058 CE LYS A 156 69.694 7.475 1.718 1.00 0.00 C ATOM 1059 NZ LYS A 156 69.600 8.355 2.916 1.00 0.00 N ATOM 0 H LYS A 156 64.884 5.747 1.920 1.00 0.00 H new ATOM 0 HA LYS A 156 66.258 6.991 -0.274 1.00 0.00 H new ATOM 0 HB2 LYS A 156 66.577 4.990 1.766 1.00 0.00 H new ATOM 0 HB3 LYS A 156 66.855 4.145 0.257 1.00 0.00 H new ATOM 0 HG2 LYS A 156 68.991 5.081 1.020 1.00 0.00 H new ATOM 0 HG3 LYS A 156 68.495 5.947 -0.420 1.00 0.00 H new ATOM 0 HD2 LYS A 156 67.761 7.861 0.831 1.00 0.00 H new ATOM 0 HD3 LYS A 156 67.686 6.963 2.334 1.00 0.00 H new ATOM 0 HE2 LYS A 156 70.311 6.599 1.919 1.00 0.00 H new ATOM 0 HE3 LYS A 156 70.148 7.999 0.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 70.552 8.670 3.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 69.012 9.183 2.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 69.170 7.827 3.702 1.00 0.00 H new ATOM 1073 N MET A 157 64.839 4.154 -1.137 1.00 0.00 N ATOM 1074 CA MET A 157 64.326 3.430 -2.336 1.00 0.00 C ATOM 1075 C MET A 157 63.201 4.225 -3.014 1.00 0.00 C ATOM 1076 O MET A 157 63.222 4.453 -4.208 1.00 0.00 O ATOM 1077 CB MET A 157 63.835 2.078 -1.780 1.00 0.00 C ATOM 1078 CG MET A 157 62.307 2.040 -1.645 1.00 0.00 C ATOM 1079 SD MET A 157 61.778 0.339 -1.322 1.00 0.00 S ATOM 1080 CE MET A 157 61.128 0.616 0.343 1.00 0.00 C ATOM 0 H MET A 157 64.787 3.631 -0.263 1.00 0.00 H new ATOM 0 HA MET A 157 65.082 3.295 -3.109 1.00 0.00 H new ATOM 0 HB2 MET A 157 64.162 1.273 -2.439 1.00 0.00 H new ATOM 0 HB3 MET A 157 64.291 1.898 -0.806 1.00 0.00 H new ATOM 0 HG2 MET A 157 61.986 2.693 -0.834 1.00 0.00 H new ATOM 0 HG3 MET A 157 61.840 2.411 -2.557 1.00 0.00 H new ATOM 0 HE1 MET A 157 60.540 -0.248 0.652 1.00 0.00 H new ATOM 0 HE2 MET A 157 61.956 0.759 1.038 1.00 0.00 H new ATOM 0 HE3 MET A 157 60.496 1.504 0.344 1.00 0.00 H new ATOM 1090 N MET A 158 62.221 4.640 -2.262 1.00 0.00 N ATOM 1091 CA MET A 158 61.091 5.414 -2.860 1.00 0.00 C ATOM 1092 C MET A 158 61.600 6.728 -3.461 1.00 0.00 C ATOM 1093 O MET A 158 61.057 7.235 -4.422 1.00 0.00 O ATOM 1094 CB MET A 158 60.146 5.694 -1.692 1.00 0.00 C ATOM 1095 CG MET A 158 59.321 4.442 -1.390 1.00 0.00 C ATOM 1096 SD MET A 158 57.812 4.456 -2.388 1.00 0.00 S ATOM 1097 CE MET A 158 57.981 2.790 -3.071 1.00 0.00 C ATOM 0 H MET A 158 62.151 4.478 -1.257 1.00 0.00 H new ATOM 0 HA MET A 158 60.600 4.868 -3.666 1.00 0.00 H new ATOM 0 HB2 MET A 158 60.717 5.987 -0.811 1.00 0.00 H new ATOM 0 HB3 MET A 158 59.486 6.527 -1.936 1.00 0.00 H new ATOM 0 HG2 MET A 158 59.905 3.548 -1.608 1.00 0.00 H new ATOM 0 HG3 MET A 158 59.068 4.407 -0.330 1.00 0.00 H new ATOM 0 HE1 MET A 158 57.140 2.580 -3.731 1.00 0.00 H new ATOM 0 HE2 MET A 158 58.911 2.721 -3.635 1.00 0.00 H new ATOM 0 HE3 MET A 158 57.994 2.063 -2.259 1.00 0.00 H new