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 Single : A 100 ASN : amide:sc= -0.197 K(o=-0.2,f=-2.1!) USER MOD Single : A 101 CYS SG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -163:sc= -0.0193 (180deg=-0.493) USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 125 THR OG1 : rot -74:sc= 0.638 USER MOD Single : A 128 HIS : no HD1:sc= -2.93 K(o=-2.9,f=-4.5!) USER MOD Single : A 138 MET CE :methyl 160:sc= -0.272 (180deg=-0.392) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 SER OG : rot 138:sc= -2.23! USER MOD Single : A 143 LYS NZ :NH3+ -165:sc= 1.19 (180deg=0.846) USER MOD Single : A 144 ASN : amide:sc= -3.51! C(o=-3.5!,f=-3!) USER MOD Single : A 145 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 157 MET CE :methyl -173:sc=-8.56e-05 (180deg=-0.0213) USER MOD Single : A 158 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 115 N GLU A 96 59.565 14.216 2.563 1.00 0.00 N ATOM 116 CA GLU A 96 58.412 14.701 3.376 1.00 0.00 C ATOM 117 C GLU A 96 57.141 13.942 2.989 1.00 0.00 C ATOM 118 O GLU A 96 56.509 13.309 3.810 1.00 0.00 O ATOM 119 CB GLU A 96 58.277 16.184 3.029 1.00 0.00 C ATOM 120 CG GLU A 96 58.896 17.027 4.146 1.00 0.00 C ATOM 121 CD GLU A 96 58.116 18.336 4.290 1.00 0.00 C ATOM 122 OE1 GLU A 96 57.748 18.898 3.271 1.00 0.00 O ATOM 123 OE2 GLU A 96 57.902 18.754 5.415 1.00 0.00 O ATOM 0 HA GLU A 96 58.564 14.546 4.444 1.00 0.00 H new ATOM 0 HB2 GLU A 96 58.774 16.394 2.082 1.00 0.00 H new ATOM 0 HB3 GLU A 96 57.226 16.445 2.902 1.00 0.00 H new ATOM 0 HG2 GLU A 96 58.877 16.475 5.086 1.00 0.00 H new ATOM 0 HG3 GLU A 96 59.942 17.237 3.921 1.00 0.00 H new ATOM 130 N GLU A 97 56.762 14.003 1.742 1.00 0.00 N ATOM 131 CA GLU A 97 55.533 13.287 1.298 1.00 0.00 C ATOM 132 C GLU A 97 55.612 11.806 1.684 1.00 0.00 C ATOM 133 O GLU A 97 54.746 11.283 2.355 1.00 0.00 O ATOM 134 CB GLU A 97 55.513 13.445 -0.223 1.00 0.00 C ATOM 135 CG GLU A 97 54.412 14.431 -0.619 1.00 0.00 C ATOM 136 CD GLU A 97 53.096 13.676 -0.812 1.00 0.00 C ATOM 137 OE1 GLU A 97 53.114 12.653 -1.477 1.00 0.00 O ATOM 138 OE2 GLU A 97 52.092 14.134 -0.291 1.00 0.00 O ATOM 0 H GLU A 97 57.251 14.519 1.010 1.00 0.00 H new ATOM 0 HA GLU A 97 54.631 13.687 1.762 1.00 0.00 H new ATOM 0 HB2 GLU A 97 56.480 13.803 -0.575 1.00 0.00 H new ATOM 0 HB3 GLU A 97 55.339 12.479 -0.697 1.00 0.00 H new ATOM 0 HG2 GLU A 97 54.297 15.193 0.152 1.00 0.00 H new ATOM 0 HG3 GLU A 97 54.685 14.948 -1.539 1.00 0.00 H new ATOM 145 N LEU A 98 56.647 11.130 1.264 1.00 0.00 N ATOM 146 CA LEU A 98 56.782 9.684 1.605 1.00 0.00 C ATOM 147 C LEU A 98 56.617 9.478 3.114 1.00 0.00 C ATOM 148 O LEU A 98 55.898 8.605 3.556 1.00 0.00 O ATOM 149 CB LEU A 98 58.197 9.304 1.164 1.00 0.00 C ATOM 150 CG LEU A 98 58.298 9.401 -0.359 1.00 0.00 C ATOM 151 CD1 LEU A 98 59.743 9.708 -0.756 1.00 0.00 C ATOM 152 CD2 LEU A 98 57.870 8.071 -0.983 1.00 0.00 C ATOM 0 H LEU A 98 57.404 11.516 0.700 1.00 0.00 H new ATOM 0 HA LEU A 98 56.024 9.072 1.116 1.00 0.00 H new ATOM 0 HB2 LEU A 98 58.926 9.967 1.631 1.00 0.00 H new ATOM 0 HB3 LEU A 98 58.432 8.291 1.491 1.00 0.00 H new ATOM 0 HG LEU A 98 57.646 10.198 -0.717 1.00 0.00 H new ATOM 0 HD11 LEU A 98 59.815 9.777 -1.841 1.00 0.00 H new ATOM 0 HD12 LEU A 98 60.049 10.655 -0.311 1.00 0.00 H new ATOM 0 HD13 LEU A 98 60.396 8.911 -0.399 1.00 0.00 H new ATOM 0 HD21 LEU A 98 57.941 8.139 -2.069 1.00 0.00 H new ATOM 0 HD22 LEU A 98 58.523 7.275 -0.625 1.00 0.00 H new ATOM 0 HD23 LEU A 98 56.841 7.851 -0.700 1.00 0.00 H new ATOM 164 N ALA A 99 57.281 10.276 3.906 1.00 0.00 N ATOM 165 CA ALA A 99 57.163 10.129 5.385 1.00 0.00 C ATOM 166 C ALA A 99 55.706 9.871 5.779 1.00 0.00 C ATOM 167 O ALA A 99 55.384 8.866 6.382 1.00 0.00 O ATOM 168 CB ALA A 99 57.643 11.464 5.954 1.00 0.00 C ATOM 0 H ALA A 99 57.900 11.023 3.593 1.00 0.00 H new ATOM 0 HA ALA A 99 57.746 9.290 5.764 1.00 0.00 H new ATOM 0 HB1 ALA A 99 57.587 11.437 7.042 1.00 0.00 H new ATOM 0 HB2 ALA A 99 58.674 11.640 5.648 1.00 0.00 H new ATOM 0 HB3 ALA A 99 57.011 12.268 5.578 1.00 0.00 H new ATOM 174 N ASN A 100 54.824 10.770 5.444 1.00 0.00 N ATOM 175 CA ASN A 100 53.389 10.577 5.798 1.00 0.00 C ATOM 176 C ASN A 100 52.813 9.374 5.047 1.00 0.00 C ATOM 177 O ASN A 100 51.876 8.742 5.492 1.00 0.00 O ATOM 178 CB ASN A 100 52.696 11.866 5.357 1.00 0.00 C ATOM 179 CG ASN A 100 52.436 12.750 6.580 1.00 0.00 C ATOM 180 OD1 ASN A 100 52.273 12.255 7.677 1.00 0.00 O ATOM 181 ND2 ASN A 100 52.392 14.046 6.435 1.00 0.00 N ATOM 0 H ASN A 100 55.034 11.631 4.940 1.00 0.00 H new ATOM 0 HA ASN A 100 53.250 10.382 6.861 1.00 0.00 H new ATOM 0 HB2 ASN A 100 53.318 12.397 4.636 1.00 0.00 H new ATOM 0 HB3 ASN A 100 51.756 11.633 4.857 1.00 0.00 H new ATOM 0 HD21 ASN A 100 52.221 14.644 7.243 1.00 0.00 H new ATOM 0 HD22 ASN A 100 52.529 14.461 5.513 1.00 0.00 H new ATOM 188 N CYS A 101 53.362 9.056 3.905 1.00 0.00 N ATOM 189 CA CYS A 101 52.839 7.899 3.123 1.00 0.00 C ATOM 190 C CYS A 101 53.271 6.573 3.759 1.00 0.00 C ATOM 191 O CYS A 101 52.814 5.515 3.373 1.00 0.00 O ATOM 192 CB CYS A 101 53.456 8.050 1.732 1.00 0.00 C ATOM 193 SG CYS A 101 52.136 8.140 0.496 1.00 0.00 S ATOM 0 H CYS A 101 54.149 9.547 3.481 1.00 0.00 H new ATOM 0 HA CYS A 101 51.749 7.889 3.092 1.00 0.00 H new ATOM 0 HB2 CYS A 101 54.070 8.949 1.690 1.00 0.00 H new ATOM 0 HB3 CYS A 101 54.112 7.206 1.519 1.00 0.00 H new ATOM 0 HG CYS A 101 52.658 8.271 -0.687 1.00 0.00 H new ATOM 199 N PHE A 102 54.143 6.615 4.729 1.00 0.00 N ATOM 200 CA PHE A 102 54.590 5.347 5.376 1.00 0.00 C ATOM 201 C PHE A 102 53.378 4.565 5.889 1.00 0.00 C ATOM 202 O PHE A 102 53.251 3.379 5.660 1.00 0.00 O ATOM 203 CB PHE A 102 55.482 5.779 6.540 1.00 0.00 C ATOM 204 CG PHE A 102 56.182 4.566 7.108 1.00 0.00 C ATOM 205 CD1 PHE A 102 55.483 3.673 7.929 1.00 0.00 C ATOM 206 CD2 PHE A 102 57.531 4.335 6.811 1.00 0.00 C ATOM 207 CE1 PHE A 102 56.132 2.548 8.452 1.00 0.00 C ATOM 208 CE2 PHE A 102 58.180 3.209 7.336 1.00 0.00 C ATOM 209 CZ PHE A 102 57.480 2.317 8.156 1.00 0.00 C ATOM 0 H PHE A 102 54.564 7.467 5.100 1.00 0.00 H new ATOM 0 HA PHE A 102 55.122 4.696 4.682 1.00 0.00 H new ATOM 0 HB2 PHE A 102 56.215 6.510 6.200 1.00 0.00 H new ATOM 0 HB3 PHE A 102 54.884 6.263 7.312 1.00 0.00 H new ATOM 0 HD1 PHE A 102 54.443 3.852 8.159 1.00 0.00 H new ATOM 0 HD2 PHE A 102 58.071 5.024 6.178 1.00 0.00 H new ATOM 0 HE1 PHE A 102 55.592 1.858 9.084 1.00 0.00 H new ATOM 0 HE2 PHE A 102 59.220 3.030 7.108 1.00 0.00 H new ATOM 0 HZ PHE A 102 57.980 1.450 8.561 1.00 0.00 H new ATOM 219 N ARG A 103 52.484 5.221 6.578 1.00 0.00 N ATOM 220 CA ARG A 103 51.281 4.513 7.100 1.00 0.00 C ATOM 221 C ARG A 103 50.473 3.927 5.939 1.00 0.00 C ATOM 222 O ARG A 103 49.898 2.861 6.045 1.00 0.00 O ATOM 223 CB ARG A 103 50.473 5.587 7.830 1.00 0.00 C ATOM 224 CG ARG A 103 50.876 5.611 9.307 1.00 0.00 C ATOM 225 CD ARG A 103 50.695 4.215 9.908 1.00 0.00 C ATOM 226 NE ARG A 103 50.429 4.451 11.355 1.00 0.00 N ATOM 227 CZ ARG A 103 51.199 3.905 12.257 1.00 0.00 C ATOM 228 NH1 ARG A 103 52.306 4.496 12.613 1.00 0.00 N ATOM 229 NH2 ARG A 103 50.860 2.770 12.803 1.00 0.00 N ATOM 0 H ARG A 103 52.535 6.215 6.802 1.00 0.00 H new ATOM 0 HA ARG A 103 51.541 3.684 7.759 1.00 0.00 H new ATOM 0 HB2 ARG A 103 50.651 6.562 7.377 1.00 0.00 H new ATOM 0 HB3 ARG A 103 49.407 5.382 7.736 1.00 0.00 H new ATOM 0 HG2 ARG A 103 51.914 5.930 9.407 1.00 0.00 H new ATOM 0 HG3 ARG A 103 50.267 6.334 9.850 1.00 0.00 H new ATOM 0 HD2 ARG A 103 49.867 3.686 9.436 1.00 0.00 H new ATOM 0 HD3 ARG A 103 51.587 3.605 9.765 1.00 0.00 H new ATOM 0 HE ARG A 103 49.646 5.039 11.641 1.00 0.00 H new ATOM 0 HH11 ARG A 103 52.570 5.384 12.187 1.00 0.00 H new ATOM 0 HH12 ARG A 103 52.908 4.070 13.318 1.00 0.00 H new ATOM 0 HH21 ARG A 103 49.993 2.309 12.525 1.00 0.00 H new ATOM 0 HH22 ARG A 103 51.461 2.343 13.508 1.00 0.00 H new ATOM 243 N ILE A 104 50.429 4.613 4.829 1.00 0.00 N ATOM 244 CA ILE A 104 49.663 4.093 3.661 1.00 0.00 C ATOM 245 C ILE A 104 50.222 2.735 3.231 1.00 0.00 C ATOM 246 O ILE A 104 49.503 1.876 2.762 1.00 0.00 O ATOM 247 CB ILE A 104 49.869 5.133 2.560 1.00 0.00 C ATOM 248 CG1 ILE A 104 49.157 6.432 2.945 1.00 0.00 C ATOM 249 CG2 ILE A 104 49.288 4.609 1.246 1.00 0.00 C ATOM 250 CD1 ILE A 104 47.715 6.124 3.349 1.00 0.00 C ATOM 0 H ILE A 104 50.890 5.511 4.681 1.00 0.00 H new ATOM 0 HA ILE A 104 48.607 3.945 3.888 1.00 0.00 H new ATOM 0 HB ILE A 104 50.935 5.323 2.437 1.00 0.00 H new ATOM 0 HG12 ILE A 104 49.681 6.916 3.769 1.00 0.00 H new ATOM 0 HG13 ILE A 104 49.170 7.128 2.107 1.00 0.00 H new ATOM 0 HG21 ILE A 104 49.435 5.351 0.461 1.00 0.00 H new ATOM 0 HG22 ILE A 104 49.792 3.683 0.969 1.00 0.00 H new ATOM 0 HG23 ILE A 104 48.222 4.419 1.370 1.00 0.00 H new ATOM 0 HD11 ILE A 104 47.208 7.049 3.623 1.00 0.00 H new ATOM 0 HD12 ILE A 104 47.194 5.659 2.512 1.00 0.00 H new ATOM 0 HD13 ILE A 104 47.713 5.443 4.200 1.00 0.00 H new ATOM 262 N PHE A 105 51.503 2.535 3.389 1.00 0.00 N ATOM 263 CA PHE A 105 52.110 1.233 2.992 1.00 0.00 C ATOM 264 C PHE A 105 51.865 0.185 4.081 1.00 0.00 C ATOM 265 O PHE A 105 51.264 -0.844 3.842 1.00 0.00 O ATOM 266 CB PHE A 105 53.605 1.520 2.847 1.00 0.00 C ATOM 267 CG PHE A 105 53.908 1.898 1.417 1.00 0.00 C ATOM 268 CD1 PHE A 105 53.092 2.820 0.750 1.00 0.00 C ATOM 269 CD2 PHE A 105 55.003 1.326 0.759 1.00 0.00 C ATOM 270 CE1 PHE A 105 53.373 3.171 -0.576 1.00 0.00 C ATOM 271 CE2 PHE A 105 55.283 1.677 -0.568 1.00 0.00 C ATOM 272 CZ PHE A 105 54.468 2.599 -1.235 1.00 0.00 C ATOM 0 H PHE A 105 52.155 3.217 3.776 1.00 0.00 H new ATOM 0 HA PHE A 105 51.682 0.840 2.070 1.00 0.00 H new ATOM 0 HB2 PHE A 105 53.898 2.328 3.518 1.00 0.00 H new ATOM 0 HB3 PHE A 105 54.184 0.642 3.133 1.00 0.00 H new ATOM 0 HD1 PHE A 105 52.247 3.260 1.258 1.00 0.00 H new ATOM 0 HD2 PHE A 105 55.632 0.615 1.274 1.00 0.00 H new ATOM 0 HE1 PHE A 105 52.745 3.883 -1.091 1.00 0.00 H new ATOM 0 HE2 PHE A 105 56.128 1.236 -1.076 1.00 0.00 H new ATOM 0 HZ PHE A 105 54.684 2.869 -2.258 1.00 0.00 H new ATOM 282 N ASP A 106 52.324 0.438 5.277 1.00 0.00 N ATOM 283 CA ASP A 106 52.113 -0.543 6.380 1.00 0.00 C ATOM 284 C ASP A 106 50.614 -0.792 6.578 1.00 0.00 C ATOM 285 O ASP A 106 49.967 -0.145 7.377 1.00 0.00 O ATOM 286 CB ASP A 106 52.718 0.117 7.619 1.00 0.00 C ATOM 287 CG ASP A 106 52.964 -0.942 8.695 1.00 0.00 C ATOM 288 OD1 ASP A 106 53.113 -2.098 8.338 1.00 0.00 O ATOM 289 OD2 ASP A 106 52.999 -0.577 9.859 1.00 0.00 O ATOM 0 H ASP A 106 52.836 1.281 5.538 1.00 0.00 H new ATOM 0 HA ASP A 106 52.572 -1.509 6.172 1.00 0.00 H new ATOM 0 HB2 ASP A 106 53.654 0.611 7.360 1.00 0.00 H new ATOM 0 HB3 ASP A 106 52.046 0.887 7.999 1.00 0.00 H new ATOM 294 N LYS A 107 50.059 -1.723 5.850 1.00 0.00 N ATOM 295 CA LYS A 107 48.601 -2.013 5.988 1.00 0.00 C ATOM 296 C LYS A 107 48.243 -2.286 7.452 1.00 0.00 C ATOM 297 O LYS A 107 47.244 -1.810 7.954 1.00 0.00 O ATOM 298 CB LYS A 107 48.365 -3.261 5.136 1.00 0.00 C ATOM 299 CG LYS A 107 47.020 -3.142 4.415 1.00 0.00 C ATOM 300 CD LYS A 107 47.260 -2.909 2.922 1.00 0.00 C ATOM 301 CE LYS A 107 48.084 -1.633 2.729 1.00 0.00 C ATOM 302 NZ LYS A 107 48.176 -1.446 1.253 1.00 0.00 N ATOM 0 H LYS A 107 50.552 -2.296 5.165 1.00 0.00 H new ATOM 0 HA LYS A 107 47.984 -1.174 5.667 1.00 0.00 H new ATOM 0 HB2 LYS A 107 49.170 -3.376 4.410 1.00 0.00 H new ATOM 0 HB3 LYS A 107 48.374 -4.151 5.765 1.00 0.00 H new ATOM 0 HG2 LYS A 107 46.435 -4.050 4.563 1.00 0.00 H new ATOM 0 HG3 LYS A 107 46.442 -2.318 4.834 1.00 0.00 H new ATOM 0 HD2 LYS A 107 47.784 -3.762 2.490 1.00 0.00 H new ATOM 0 HD3 LYS A 107 46.308 -2.822 2.399 1.00 0.00 H new ATOM 0 HE2 LYS A 107 47.603 -0.778 3.205 1.00 0.00 H new ATOM 0 HE3 LYS A 107 49.073 -1.732 3.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 48.945 -0.781 1.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 48.370 -2.361 0.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 47.277 -1.065 0.895 1.00 0.00 H new ATOM 316 N ASN A 108 49.047 -3.048 8.141 1.00 0.00 N ATOM 317 CA ASN A 108 48.745 -3.349 9.570 1.00 0.00 C ATOM 318 C ASN A 108 49.473 -2.360 10.484 1.00 0.00 C ATOM 319 O ASN A 108 49.861 -1.286 10.068 1.00 0.00 O ATOM 320 CB ASN A 108 49.263 -4.769 9.796 1.00 0.00 C ATOM 321 CG ASN A 108 48.532 -5.735 8.863 1.00 0.00 C ATOM 322 OD1 ASN A 108 47.321 -5.835 8.902 1.00 0.00 O ATOM 323 ND2 ASN A 108 49.218 -6.455 8.019 1.00 0.00 N ATOM 0 H ASN A 108 49.899 -3.475 7.778 1.00 0.00 H new ATOM 0 HA ASN A 108 47.681 -3.264 9.793 1.00 0.00 H new ATOM 0 HB2 ASN A 108 50.336 -4.810 9.610 1.00 0.00 H new ATOM 0 HB3 ASN A 108 49.108 -5.063 10.834 1.00 0.00 H new ATOM 0 HD21 ASN A 108 48.738 -7.101 7.392 1.00 0.00 H new ATOM 0 HD22 ASN A 108 50.234 -6.372 7.986 1.00 0.00 H new ATOM 330 N ALA A 109 49.663 -2.715 11.724 1.00 0.00 N ATOM 331 CA ALA A 109 50.367 -1.796 12.663 1.00 0.00 C ATOM 332 C ALA A 109 51.599 -2.486 13.255 1.00 0.00 C ATOM 333 O ALA A 109 51.708 -2.666 14.450 1.00 0.00 O ATOM 334 CB ALA A 109 49.345 -1.491 13.758 1.00 0.00 C ATOM 0 H ALA A 109 49.362 -3.602 12.128 1.00 0.00 H new ATOM 0 HA ALA A 109 50.718 -0.890 12.169 1.00 0.00 H new ATOM 0 HB1 ALA A 109 49.788 -0.818 14.492 1.00 0.00 H new ATOM 0 HB2 ALA A 109 48.468 -1.019 13.316 1.00 0.00 H new ATOM 0 HB3 ALA A 109 49.050 -2.418 14.249 1.00 0.00 H new ATOM 340 N ASP A 110 52.529 -2.875 12.425 1.00 0.00 N ATOM 341 CA ASP A 110 53.752 -3.554 12.941 1.00 0.00 C ATOM 342 C ASP A 110 54.889 -2.542 13.102 1.00 0.00 C ATOM 343 O ASP A 110 55.721 -2.662 13.980 1.00 0.00 O ATOM 344 CB ASP A 110 54.105 -4.595 11.877 1.00 0.00 C ATOM 345 CG ASP A 110 52.840 -5.350 11.464 1.00 0.00 C ATOM 346 OD1 ASP A 110 52.258 -6.001 12.315 1.00 0.00 O ATOM 347 OD2 ASP A 110 52.474 -5.262 10.304 1.00 0.00 O ATOM 0 H ASP A 110 52.495 -2.752 11.413 1.00 0.00 H new ATOM 0 HA ASP A 110 53.592 -4.009 13.918 1.00 0.00 H new ATOM 0 HB2 ASP A 110 54.550 -4.108 11.010 1.00 0.00 H new ATOM 0 HB3 ASP A 110 54.847 -5.292 12.267 1.00 0.00 H new ATOM 352 N GLY A 111 54.932 -1.545 12.261 1.00 0.00 N ATOM 353 CA GLY A 111 56.015 -0.528 12.368 1.00 0.00 C ATOM 354 C GLY A 111 57.108 -0.829 11.340 1.00 0.00 C ATOM 355 O GLY A 111 58.061 -0.091 11.200 1.00 0.00 O ATOM 0 H GLY A 111 54.264 -1.391 11.505 1.00 0.00 H new ATOM 0 HA2 GLY A 111 55.609 0.469 12.200 1.00 0.00 H new ATOM 0 HA3 GLY A 111 56.436 -0.535 13.373 1.00 0.00 H new ATOM 359 N PHE A 112 56.978 -1.910 10.619 1.00 0.00 N ATOM 360 CA PHE A 112 58.011 -2.258 9.600 1.00 0.00 C ATOM 361 C PHE A 112 57.388 -3.101 8.484 1.00 0.00 C ATOM 362 O PHE A 112 56.804 -4.138 8.729 1.00 0.00 O ATOM 363 CB PHE A 112 59.062 -3.068 10.360 1.00 0.00 C ATOM 364 CG PHE A 112 59.456 -2.333 11.620 1.00 0.00 C ATOM 365 CD1 PHE A 112 60.489 -1.389 11.587 1.00 0.00 C ATOM 366 CD2 PHE A 112 58.784 -2.593 12.820 1.00 0.00 C ATOM 367 CE1 PHE A 112 60.853 -0.707 12.754 1.00 0.00 C ATOM 368 CE2 PHE A 112 59.148 -1.911 13.988 1.00 0.00 C ATOM 369 CZ PHE A 112 60.181 -0.968 13.955 1.00 0.00 C ATOM 0 H PHE A 112 56.201 -2.567 10.691 1.00 0.00 H new ATOM 0 HA PHE A 112 58.441 -1.374 9.129 1.00 0.00 H new ATOM 0 HB2 PHE A 112 58.666 -4.052 10.610 1.00 0.00 H new ATOM 0 HB3 PHE A 112 59.938 -3.227 9.731 1.00 0.00 H new ATOM 0 HD1 PHE A 112 61.006 -1.187 10.660 1.00 0.00 H new ATOM 0 HD2 PHE A 112 57.985 -3.319 12.845 1.00 0.00 H new ATOM 0 HE1 PHE A 112 61.651 0.020 12.728 1.00 0.00 H new ATOM 0 HE2 PHE A 112 58.631 -2.113 14.914 1.00 0.00 H new ATOM 0 HZ PHE A 112 60.460 -0.441 14.856 1.00 0.00 H new ATOM 379 N ILE A 113 57.505 -2.662 7.261 1.00 0.00 N ATOM 380 CA ILE A 113 56.916 -3.437 6.131 1.00 0.00 C ATOM 381 C ILE A 113 57.875 -4.545 5.690 1.00 0.00 C ATOM 382 O ILE A 113 59.005 -4.293 5.323 1.00 0.00 O ATOM 383 CB ILE A 113 56.723 -2.415 5.011 1.00 0.00 C ATOM 384 CG1 ILE A 113 55.782 -1.308 5.493 1.00 0.00 C ATOM 385 CG2 ILE A 113 56.112 -3.104 3.789 1.00 0.00 C ATOM 386 CD1 ILE A 113 56.601 -0.073 5.875 1.00 0.00 C ATOM 0 H ILE A 113 57.982 -1.801 6.995 1.00 0.00 H new ATOM 0 HA ILE A 113 55.980 -3.922 6.406 1.00 0.00 H new ATOM 0 HB ILE A 113 57.687 -1.985 4.740 1.00 0.00 H new ATOM 0 HG12 ILE A 113 55.068 -1.056 4.709 1.00 0.00 H new ATOM 0 HG13 ILE A 113 55.205 -1.654 6.350 1.00 0.00 H new ATOM 0 HG21 ILE A 113 55.975 -2.375 2.991 1.00 0.00 H new ATOM 0 HG22 ILE A 113 56.778 -3.896 3.446 1.00 0.00 H new ATOM 0 HG23 ILE A 113 55.147 -3.533 4.058 1.00 0.00 H new ATOM 0 HD11 ILE A 113 55.931 0.716 6.218 1.00 0.00 H new ATOM 0 HD12 ILE A 113 57.297 -0.331 6.673 1.00 0.00 H new ATOM 0 HD13 ILE A 113 57.158 0.277 5.006 1.00 0.00 H new ATOM 398 N ASP A 114 57.432 -5.773 5.719 1.00 0.00 N ATOM 399 CA ASP A 114 58.319 -6.895 5.297 1.00 0.00 C ATOM 400 C ASP A 114 58.059 -7.248 3.832 1.00 0.00 C ATOM 401 O ASP A 114 57.209 -6.667 3.185 1.00 0.00 O ATOM 402 CB ASP A 114 57.942 -8.067 6.205 1.00 0.00 C ATOM 403 CG ASP A 114 56.431 -8.300 6.139 1.00 0.00 C ATOM 404 OD1 ASP A 114 55.918 -8.419 5.038 1.00 0.00 O ATOM 405 OD2 ASP A 114 55.814 -8.355 7.189 1.00 0.00 O ATOM 0 H ASP A 114 56.496 -6.047 6.016 1.00 0.00 H new ATOM 0 HA ASP A 114 59.375 -6.640 5.382 1.00 0.00 H new ATOM 0 HB2 ASP A 114 58.473 -8.967 5.894 1.00 0.00 H new ATOM 0 HB3 ASP A 114 58.244 -7.857 7.231 1.00 0.00 H new ATOM 410 N ILE A 115 58.782 -8.195 3.303 1.00 0.00 N ATOM 411 CA ILE A 115 58.570 -8.582 1.879 1.00 0.00 C ATOM 412 C ILE A 115 57.113 -9.003 1.661 1.00 0.00 C ATOM 413 O ILE A 115 56.493 -8.640 0.681 1.00 0.00 O ATOM 414 CB ILE A 115 59.522 -9.757 1.641 1.00 0.00 C ATOM 415 CG1 ILE A 115 59.721 -9.954 0.137 1.00 0.00 C ATOM 416 CG2 ILE A 115 58.936 -11.033 2.249 1.00 0.00 C ATOM 417 CD1 ILE A 115 61.189 -10.276 -0.146 1.00 0.00 C ATOM 0 H ILE A 115 59.509 -8.717 3.793 1.00 0.00 H new ATOM 0 HA ILE A 115 58.766 -7.761 1.189 1.00 0.00 H new ATOM 0 HB ILE A 115 60.481 -9.543 2.113 1.00 0.00 H new ATOM 0 HG12 ILE A 115 59.085 -10.763 -0.222 1.00 0.00 H new ATOM 0 HG13 ILE A 115 59.425 -9.053 -0.401 1.00 0.00 H new ATOM 0 HG21 ILE A 115 59.618 -11.865 2.076 1.00 0.00 H new ATOM 0 HG22 ILE A 115 58.797 -10.895 3.321 1.00 0.00 H new ATOM 0 HG23 ILE A 115 57.974 -11.250 1.783 1.00 0.00 H new ATOM 0 HD11 ILE A 115 61.331 -10.416 -1.218 1.00 0.00 H new ATOM 0 HD12 ILE A 115 61.815 -9.453 0.198 1.00 0.00 H new ATOM 0 HD13 ILE A 115 61.469 -11.189 0.380 1.00 0.00 H new ATOM 429 N GLU A 116 56.562 -9.761 2.570 1.00 0.00 N ATOM 430 CA GLU A 116 55.145 -10.198 2.417 1.00 0.00 C ATOM 431 C GLU A 116 54.251 -8.984 2.155 1.00 0.00 C ATOM 432 O GLU A 116 53.512 -8.941 1.191 1.00 0.00 O ATOM 433 CB GLU A 116 54.785 -10.851 3.751 1.00 0.00 C ATOM 434 CG GLU A 116 54.613 -12.359 3.554 1.00 0.00 C ATOM 435 CD GLU A 116 55.450 -13.108 4.592 1.00 0.00 C ATOM 436 OE1 GLU A 116 54.963 -13.294 5.695 1.00 0.00 O ATOM 437 OE2 GLU A 116 56.564 -13.485 4.266 1.00 0.00 O ATOM 0 H GLU A 116 57.031 -10.096 3.411 1.00 0.00 H new ATOM 0 HA GLU A 116 55.009 -10.884 1.581 1.00 0.00 H new ATOM 0 HB2 GLU A 116 55.567 -10.657 4.485 1.00 0.00 H new ATOM 0 HB3 GLU A 116 53.865 -10.418 4.143 1.00 0.00 H new ATOM 0 HG2 GLU A 116 53.562 -12.632 3.653 1.00 0.00 H new ATOM 0 HG3 GLU A 116 54.923 -12.643 2.548 1.00 0.00 H new ATOM 444 N GLU A 117 54.316 -7.996 3.004 1.00 0.00 N ATOM 445 CA GLU A 117 53.473 -6.783 2.801 1.00 0.00 C ATOM 446 C GLU A 117 53.669 -6.242 1.383 1.00 0.00 C ATOM 447 O GLU A 117 52.722 -5.942 0.685 1.00 0.00 O ATOM 448 CB GLU A 117 53.971 -5.775 3.836 1.00 0.00 C ATOM 449 CG GLU A 117 53.211 -5.972 5.149 1.00 0.00 C ATOM 450 CD GLU A 117 52.954 -4.612 5.799 1.00 0.00 C ATOM 451 OE1 GLU A 117 51.927 -4.022 5.507 1.00 0.00 O ATOM 452 OE2 GLU A 117 53.789 -4.183 6.580 1.00 0.00 O ATOM 0 H GLU A 117 54.916 -7.975 3.829 1.00 0.00 H new ATOM 0 HA GLU A 117 52.410 -6.991 2.919 1.00 0.00 H new ATOM 0 HB2 GLU A 117 55.041 -5.905 4.000 1.00 0.00 H new ATOM 0 HB3 GLU A 117 53.826 -4.759 3.469 1.00 0.00 H new ATOM 0 HG2 GLU A 117 52.266 -6.482 4.961 1.00 0.00 H new ATOM 0 HG3 GLU A 117 53.787 -6.606 5.823 1.00 0.00 H new ATOM 459 N LEU A 118 54.895 -6.121 0.953 1.00 0.00 N ATOM 460 CA LEU A 118 55.154 -5.605 -0.420 1.00 0.00 C ATOM 461 C LEU A 118 54.388 -6.446 -1.444 1.00 0.00 C ATOM 462 O LEU A 118 54.033 -5.978 -2.507 1.00 0.00 O ATOM 463 CB LEU A 118 56.663 -5.758 -0.623 1.00 0.00 C ATOM 464 CG LEU A 118 57.287 -4.387 -0.881 1.00 0.00 C ATOM 465 CD1 LEU A 118 58.772 -4.426 -0.518 1.00 0.00 C ATOM 466 CD2 LEU A 118 57.134 -4.028 -2.361 1.00 0.00 C ATOM 0 H LEU A 118 55.728 -6.357 1.493 1.00 0.00 H new ATOM 0 HA LEU A 118 54.831 -4.572 -0.545 1.00 0.00 H new ATOM 0 HB2 LEU A 118 57.114 -6.214 0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 118 56.862 -6.423 -1.463 1.00 0.00 H new ATOM 0 HG LEU A 118 56.783 -3.638 -0.270 1.00 0.00 H new ATOM 0 HD11 LEU A 118 59.217 -3.448 -0.702 1.00 0.00 H new ATOM 0 HD12 LEU A 118 58.882 -4.683 0.536 1.00 0.00 H new ATOM 0 HD13 LEU A 118 59.276 -5.175 -1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 118 57.579 -3.050 -2.546 1.00 0.00 H new ATOM 0 HD22 LEU A 118 57.638 -4.777 -2.971 1.00 0.00 H new ATOM 0 HD23 LEU A 118 56.076 -4.000 -2.621 1.00 0.00 H new ATOM 478 N GLY A 119 54.135 -7.688 -1.130 1.00 0.00 N ATOM 479 CA GLY A 119 53.395 -8.563 -2.081 1.00 0.00 C ATOM 480 C GLY A 119 51.914 -8.184 -2.086 1.00 0.00 C ATOM 481 O GLY A 119 51.400 -7.666 -3.059 1.00 0.00 O ATOM 0 H GLY A 119 54.410 -8.134 -0.255 1.00 0.00 H new ATOM 0 HA2 GLY A 119 53.810 -8.459 -3.084 1.00 0.00 H new ATOM 0 HA3 GLY A 119 53.512 -9.608 -1.794 1.00 0.00 H new ATOM 485 N GLU A 120 51.218 -8.440 -1.012 1.00 0.00 N ATOM 486 CA GLU A 120 49.768 -8.093 -0.968 1.00 0.00 C ATOM 487 C GLU A 120 49.558 -6.645 -1.416 1.00 0.00 C ATOM 488 O GLU A 120 48.669 -6.347 -2.189 1.00 0.00 O ATOM 489 CB GLU A 120 49.349 -8.278 0.493 1.00 0.00 C ATOM 490 CG GLU A 120 50.033 -7.231 1.373 1.00 0.00 C ATOM 491 CD GLU A 120 49.640 -7.463 2.833 1.00 0.00 C ATOM 492 OE1 GLU A 120 48.491 -7.801 3.069 1.00 0.00 O ATOM 493 OE2 GLU A 120 50.492 -7.299 3.690 1.00 0.00 O ATOM 0 H GLU A 120 51.588 -8.873 -0.166 1.00 0.00 H new ATOM 0 HA GLU A 120 49.175 -8.719 -1.635 1.00 0.00 H new ATOM 0 HB2 GLU A 120 48.266 -8.189 0.583 1.00 0.00 H new ATOM 0 HB3 GLU A 120 49.615 -9.279 0.832 1.00 0.00 H new ATOM 0 HG2 GLU A 120 51.115 -7.296 1.261 1.00 0.00 H new ATOM 0 HG3 GLU A 120 49.740 -6.229 1.060 1.00 0.00 H new ATOM 500 N ILE A 121 50.371 -5.743 -0.940 1.00 0.00 N ATOM 501 CA ILE A 121 50.218 -4.315 -1.344 1.00 0.00 C ATOM 502 C ILE A 121 50.109 -4.212 -2.869 1.00 0.00 C ATOM 503 O ILE A 121 49.114 -3.758 -3.401 1.00 0.00 O ATOM 504 CB ILE A 121 51.488 -3.625 -0.840 1.00 0.00 C ATOM 505 CG1 ILE A 121 51.352 -3.349 0.660 1.00 0.00 C ATOM 506 CG2 ILE A 121 51.689 -2.301 -1.582 1.00 0.00 C ATOM 507 CD1 ILE A 121 52.646 -2.729 1.187 1.00 0.00 C ATOM 0 H ILE A 121 51.134 -5.931 -0.290 1.00 0.00 H new ATOM 0 HA ILE A 121 49.319 -3.857 -0.932 1.00 0.00 H new ATOM 0 HB ILE A 121 52.346 -4.273 -1.021 1.00 0.00 H new ATOM 0 HG12 ILE A 121 50.514 -2.676 0.842 1.00 0.00 H new ATOM 0 HG13 ILE A 121 51.138 -4.276 1.193 1.00 0.00 H new ATOM 0 HG21 ILE A 121 52.594 -1.814 -1.219 1.00 0.00 H new ATOM 0 HG22 ILE A 121 51.784 -2.494 -2.651 1.00 0.00 H new ATOM 0 HG23 ILE A 121 50.832 -1.651 -1.405 1.00 0.00 H new ATOM 0 HD11 ILE A 121 52.547 -2.533 2.255 1.00 0.00 H new ATOM 0 HD12 ILE A 121 53.474 -3.418 1.019 1.00 0.00 H new ATOM 0 HD13 ILE A 121 52.841 -1.793 0.663 1.00 0.00 H new ATOM 519 N LEU A 122 51.121 -4.634 -3.576 1.00 0.00 N ATOM 520 CA LEU A 122 51.072 -4.564 -5.064 1.00 0.00 C ATOM 521 C LEU A 122 50.037 -5.558 -5.602 1.00 0.00 C ATOM 522 O LEU A 122 49.261 -5.246 -6.483 1.00 0.00 O ATOM 523 CB LEU A 122 52.477 -4.949 -5.528 1.00 0.00 C ATOM 524 CG LEU A 122 53.390 -3.724 -5.465 1.00 0.00 C ATOM 525 CD1 LEU A 122 54.736 -4.120 -4.856 1.00 0.00 C ATOM 526 CD2 LEU A 122 53.611 -3.181 -6.877 1.00 0.00 C ATOM 0 H LEU A 122 51.980 -5.024 -3.188 1.00 0.00 H new ATOM 0 HA LEU A 122 50.784 -3.576 -5.423 1.00 0.00 H new ATOM 0 HB2 LEU A 122 52.874 -5.744 -4.897 1.00 0.00 H new ATOM 0 HB3 LEU A 122 52.441 -5.337 -6.546 1.00 0.00 H new ATOM 0 HG LEU A 122 52.924 -2.956 -4.848 1.00 0.00 H new ATOM 0 HD11 LEU A 122 55.386 -3.246 -4.811 1.00 0.00 H new ATOM 0 HD12 LEU A 122 54.580 -4.508 -3.849 1.00 0.00 H new ATOM 0 HD13 LEU A 122 55.202 -4.888 -5.473 1.00 0.00 H new ATOM 0 HD21 LEU A 122 54.262 -2.308 -6.833 1.00 0.00 H new ATOM 0 HD22 LEU A 122 54.076 -3.950 -7.494 1.00 0.00 H new ATOM 0 HD23 LEU A 122 52.653 -2.898 -7.312 1.00 0.00 H new ATOM 538 N ARG A 123 50.022 -6.751 -5.074 1.00 0.00 N ATOM 539 CA ARG A 123 49.038 -7.765 -5.552 1.00 0.00 C ATOM 540 C ARG A 123 47.625 -7.174 -5.549 1.00 0.00 C ATOM 541 O ARG A 123 46.837 -7.420 -6.441 1.00 0.00 O ATOM 542 CB ARG A 123 49.139 -8.915 -4.550 1.00 0.00 C ATOM 543 CG ARG A 123 50.156 -9.942 -5.050 1.00 0.00 C ATOM 544 CD ARG A 123 50.656 -10.781 -3.871 1.00 0.00 C ATOM 545 NE ARG A 123 51.125 -12.057 -4.479 1.00 0.00 N ATOM 546 CZ ARG A 123 51.079 -13.164 -3.789 1.00 0.00 C ATOM 547 NH1 ARG A 123 49.946 -13.795 -3.643 1.00 0.00 N ATOM 548 NH2 ARG A 123 52.166 -13.640 -3.246 1.00 0.00 N ATOM 0 H ARG A 123 50.647 -7.068 -4.333 1.00 0.00 H new ATOM 0 HA ARG A 123 49.243 -8.092 -6.571 1.00 0.00 H new ATOM 0 HB2 ARG A 123 49.440 -8.535 -3.574 1.00 0.00 H new ATOM 0 HB3 ARG A 123 48.164 -9.386 -4.422 1.00 0.00 H new ATOM 0 HG2 ARG A 123 49.699 -10.587 -5.801 1.00 0.00 H new ATOM 0 HG3 ARG A 123 50.993 -9.436 -5.531 1.00 0.00 H new ATOM 0 HD2 ARG A 123 51.464 -10.276 -3.341 1.00 0.00 H new ATOM 0 HD3 ARG A 123 49.861 -10.958 -3.147 1.00 0.00 H new ATOM 0 HE ARG A 123 51.482 -12.066 -5.434 1.00 0.00 H new ATOM 0 HH11 ARG A 123 49.097 -13.423 -4.068 1.00 0.00 H new ATOM 0 HH12 ARG A 123 49.910 -14.660 -3.104 1.00 0.00 H new ATOM 0 HH21 ARG A 123 53.052 -13.147 -3.361 1.00 0.00 H new ATOM 0 HH22 ARG A 123 52.130 -14.505 -2.707 1.00 0.00 H new ATOM 562 N ALA A 124 47.299 -6.400 -4.550 1.00 0.00 N ATOM 563 CA ALA A 124 45.935 -5.797 -4.488 1.00 0.00 C ATOM 564 C ALA A 124 45.639 -5.014 -5.771 1.00 0.00 C ATOM 565 O ALA A 124 44.567 -5.110 -6.333 1.00 0.00 O ATOM 566 CB ALA A 124 45.971 -4.857 -3.282 1.00 0.00 C ATOM 0 H ALA A 124 47.916 -6.159 -3.775 1.00 0.00 H new ATOM 0 HA ALA A 124 45.156 -6.553 -4.393 1.00 0.00 H new ATOM 0 HB1 ALA A 124 45.001 -4.373 -3.169 1.00 0.00 H new ATOM 0 HB2 ALA A 124 46.199 -5.428 -2.382 1.00 0.00 H new ATOM 0 HB3 ALA A 124 46.739 -4.099 -3.435 1.00 0.00 H new ATOM 572 N THR A 125 46.580 -4.239 -6.239 1.00 0.00 N ATOM 573 CA THR A 125 46.344 -3.454 -7.485 1.00 0.00 C ATOM 574 C THR A 125 46.061 -4.397 -8.657 1.00 0.00 C ATOM 575 O THR A 125 45.323 -4.069 -9.565 1.00 0.00 O ATOM 576 CB THR A 125 47.641 -2.678 -7.720 1.00 0.00 C ATOM 577 OG1 THR A 125 48.690 -3.589 -8.021 1.00 0.00 O ATOM 578 CG2 THR A 125 47.994 -1.879 -6.463 1.00 0.00 C ATOM 0 H THR A 125 47.499 -4.116 -5.814 1.00 0.00 H new ATOM 0 HA THR A 125 45.485 -2.789 -7.397 1.00 0.00 H new ATOM 0 HB THR A 125 47.509 -1.992 -8.556 1.00 0.00 H new ATOM 0 HG1 THR A 125 48.965 -4.053 -7.203 1.00 0.00 H new ATOM 0 HG21 THR A 125 48.918 -1.326 -6.631 1.00 0.00 H new ATOM 0 HG22 THR A 125 47.189 -1.180 -6.238 1.00 0.00 H new ATOM 0 HG23 THR A 125 48.127 -2.561 -5.623 1.00 0.00 H new ATOM 586 N GLY A 126 46.642 -5.566 -8.645 1.00 0.00 N ATOM 587 CA GLY A 126 46.405 -6.528 -9.758 1.00 0.00 C ATOM 588 C GLY A 126 47.517 -6.390 -10.799 1.00 0.00 C ATOM 589 O GLY A 126 47.366 -6.782 -11.939 1.00 0.00 O ATOM 0 H GLY A 126 47.270 -5.896 -7.912 1.00 0.00 H new ATOM 0 HA2 GLY A 126 46.378 -7.547 -9.372 1.00 0.00 H new ATOM 0 HA3 GLY A 126 45.436 -6.336 -10.218 1.00 0.00 H new ATOM 593 N GLU A 127 48.635 -5.833 -10.417 1.00 0.00 N ATOM 594 CA GLU A 127 49.755 -5.670 -11.387 1.00 0.00 C ATOM 595 C GLU A 127 50.650 -6.911 -11.375 1.00 0.00 C ATOM 596 O GLU A 127 51.806 -6.859 -11.745 1.00 0.00 O ATOM 597 CB GLU A 127 50.529 -4.445 -10.899 1.00 0.00 C ATOM 598 CG GLU A 127 50.350 -3.300 -11.896 1.00 0.00 C ATOM 599 CD GLU A 127 50.937 -2.016 -11.308 1.00 0.00 C ATOM 600 OE1 GLU A 127 51.186 -1.995 -10.114 1.00 0.00 O ATOM 601 OE2 GLU A 127 51.126 -1.075 -12.061 1.00 0.00 O ATOM 0 H GLU A 127 48.820 -5.484 -9.477 1.00 0.00 H new ATOM 0 HA GLU A 127 49.400 -5.545 -12.410 1.00 0.00 H new ATOM 0 HB2 GLU A 127 50.171 -4.144 -9.914 1.00 0.00 H new ATOM 0 HB3 GLU A 127 51.586 -4.688 -10.793 1.00 0.00 H new ATOM 0 HG2 GLU A 127 50.845 -3.542 -12.836 1.00 0.00 H new ATOM 0 HG3 GLU A 127 49.292 -3.160 -12.119 1.00 0.00 H new ATOM 608 N HIS A 128 50.123 -8.029 -10.955 1.00 0.00 N ATOM 609 CA HIS A 128 50.939 -9.277 -10.921 1.00 0.00 C ATOM 610 C HIS A 128 52.192 -9.078 -10.071 1.00 0.00 C ATOM 611 O HIS A 128 52.217 -9.392 -8.898 1.00 0.00 O ATOM 612 CB HIS A 128 51.316 -9.545 -12.379 1.00 0.00 C ATOM 613 CG HIS A 128 52.387 -10.600 -12.431 1.00 0.00 C ATOM 614 ND1 HIS A 128 52.522 -11.565 -11.447 1.00 0.00 N ATOM 615 CD2 HIS A 128 53.379 -10.856 -13.346 1.00 0.00 C ATOM 616 CE1 HIS A 128 53.560 -12.350 -11.788 1.00 0.00 C ATOM 617 NE2 HIS A 128 54.119 -11.961 -12.937 1.00 0.00 N ATOM 0 H HIS A 128 49.161 -8.132 -10.633 1.00 0.00 H new ATOM 0 HA HIS A 128 50.392 -10.110 -10.480 1.00 0.00 H new ATOM 0 HB2 HIS A 128 50.440 -9.872 -12.939 1.00 0.00 H new ATOM 0 HB3 HIS A 128 51.670 -8.628 -12.849 1.00 0.00 H new ATOM 0 HD2 HIS A 128 53.557 -10.286 -14.246 1.00 0.00 H new ATOM 0 HE1 HIS A 128 53.900 -13.192 -11.204 1.00 0.00 H new ATOM 0 HE2 HIS A 128 54.917 -12.383 -13.412 1.00 0.00 H new ATOM 625 N VAL A 129 53.234 -8.567 -10.663 1.00 0.00 N ATOM 626 CA VAL A 129 54.505 -8.346 -9.909 1.00 0.00 C ATOM 627 C VAL A 129 55.160 -9.690 -9.580 1.00 0.00 C ATOM 628 O VAL A 129 54.492 -10.663 -9.289 1.00 0.00 O ATOM 629 CB VAL A 129 54.105 -7.616 -8.623 1.00 0.00 C ATOM 630 CG1 VAL A 129 55.338 -6.948 -8.014 1.00 0.00 C ATOM 631 CG2 VAL A 129 53.055 -6.548 -8.944 1.00 0.00 C ATOM 0 H VAL A 129 53.263 -8.290 -11.644 1.00 0.00 H new ATOM 0 HA VAL A 129 55.225 -7.768 -10.488 1.00 0.00 H new ATOM 0 HB VAL A 129 53.689 -8.332 -7.914 1.00 0.00 H new ATOM 0 HG11 VAL A 129 55.055 -6.428 -7.099 1.00 0.00 H new ATOM 0 HG12 VAL A 129 56.086 -7.706 -7.784 1.00 0.00 H new ATOM 0 HG13 VAL A 129 55.753 -6.233 -8.724 1.00 0.00 H new ATOM 0 HG21 VAL A 129 52.771 -6.030 -8.028 1.00 0.00 H new ATOM 0 HG22 VAL A 129 53.470 -5.831 -9.653 1.00 0.00 H new ATOM 0 HG23 VAL A 129 52.175 -7.022 -9.380 1.00 0.00 H new ATOM 641 N ILE A 130 56.463 -9.755 -9.626 1.00 0.00 N ATOM 642 CA ILE A 130 57.156 -11.040 -9.319 1.00 0.00 C ATOM 643 C ILE A 130 58.155 -10.850 -8.175 1.00 0.00 C ATOM 644 O ILE A 130 58.759 -9.806 -8.031 1.00 0.00 O ATOM 645 CB ILE A 130 57.885 -11.418 -10.609 1.00 0.00 C ATOM 646 CG1 ILE A 130 58.953 -10.365 -10.919 1.00 0.00 C ATOM 647 CG2 ILE A 130 56.884 -11.482 -11.762 1.00 0.00 C ATOM 648 CD1 ILE A 130 59.678 -10.739 -12.213 1.00 0.00 C ATOM 0 H ILE A 130 57.077 -8.976 -9.862 1.00 0.00 H new ATOM 0 HA ILE A 130 56.458 -11.815 -9.002 1.00 0.00 H new ATOM 0 HB ILE A 130 58.359 -12.392 -10.485 1.00 0.00 H new ATOM 0 HG12 ILE A 130 58.492 -9.382 -11.019 1.00 0.00 H new ATOM 0 HG13 ILE A 130 59.665 -10.301 -10.096 1.00 0.00 H new ATOM 0 HG21 ILE A 130 57.404 -11.751 -12.681 1.00 0.00 H new ATOM 0 HG22 ILE A 130 56.124 -12.231 -11.542 1.00 0.00 H new ATOM 0 HG23 ILE A 130 56.409 -10.509 -11.886 1.00 0.00 H new ATOM 0 HD11 ILE A 130 60.438 -9.990 -12.434 1.00 0.00 H new ATOM 0 HD12 ILE A 130 60.152 -11.713 -12.096 1.00 0.00 H new ATOM 0 HD13 ILE A 130 58.961 -10.781 -13.033 1.00 0.00 H new ATOM 660 N GLU A 131 58.337 -11.858 -7.366 1.00 0.00 N ATOM 661 CA GLU A 131 59.301 -11.744 -6.233 1.00 0.00 C ATOM 662 C GLU A 131 60.609 -11.112 -6.716 1.00 0.00 C ATOM 663 O GLU A 131 61.148 -10.221 -6.091 1.00 0.00 O ATOM 664 CB GLU A 131 59.539 -13.183 -5.775 1.00 0.00 C ATOM 665 CG GLU A 131 59.436 -13.261 -4.250 1.00 0.00 C ATOM 666 CD GLU A 131 58.984 -14.663 -3.841 1.00 0.00 C ATOM 667 OE1 GLU A 131 57.792 -14.915 -3.875 1.00 0.00 O ATOM 668 OE2 GLU A 131 59.841 -15.463 -3.500 1.00 0.00 O ATOM 0 H GLU A 131 57.860 -12.756 -7.440 1.00 0.00 H new ATOM 0 HA GLU A 131 58.923 -11.115 -5.427 1.00 0.00 H new ATOM 0 HB2 GLU A 131 58.806 -13.847 -6.233 1.00 0.00 H new ATOM 0 HB3 GLU A 131 60.523 -13.521 -6.101 1.00 0.00 H new ATOM 0 HG2 GLU A 131 60.401 -13.032 -3.797 1.00 0.00 H new ATOM 0 HG3 GLU A 131 58.728 -12.518 -3.884 1.00 0.00 H new ATOM 675 N GLU A 132 61.122 -11.570 -7.825 1.00 0.00 N ATOM 676 CA GLU A 132 62.395 -10.999 -8.352 1.00 0.00 C ATOM 677 C GLU A 132 62.346 -9.470 -8.327 1.00 0.00 C ATOM 678 O GLU A 132 63.358 -8.809 -8.201 1.00 0.00 O ATOM 679 CB GLU A 132 62.486 -11.508 -9.792 1.00 0.00 C ATOM 680 CG GLU A 132 63.745 -12.361 -9.954 1.00 0.00 C ATOM 681 CD GLU A 132 64.154 -12.394 -11.427 1.00 0.00 C ATOM 682 OE1 GLU A 132 63.303 -12.683 -12.252 1.00 0.00 O ATOM 683 OE2 GLU A 132 65.313 -12.132 -11.706 1.00 0.00 O ATOM 0 H GLU A 132 60.715 -12.315 -8.390 1.00 0.00 H new ATOM 0 HA GLU A 132 63.258 -11.295 -7.755 1.00 0.00 H new ATOM 0 HB2 GLU A 132 61.602 -12.096 -10.037 1.00 0.00 H new ATOM 0 HB3 GLU A 132 62.512 -10.667 -10.485 1.00 0.00 H new ATOM 0 HG2 GLU A 132 64.555 -11.951 -9.350 1.00 0.00 H new ATOM 0 HG3 GLU A 132 63.560 -13.373 -9.594 1.00 0.00 H new ATOM 690 N ASP A 133 61.177 -8.903 -8.446 1.00 0.00 N ATOM 691 CA ASP A 133 61.063 -7.417 -8.429 1.00 0.00 C ATOM 692 C ASP A 133 60.797 -6.927 -7.006 1.00 0.00 C ATOM 693 O ASP A 133 61.447 -6.025 -6.515 1.00 0.00 O ATOM 694 CB ASP A 133 59.873 -7.104 -9.337 1.00 0.00 C ATOM 695 CG ASP A 133 60.346 -6.280 -10.536 1.00 0.00 C ATOM 696 OD1 ASP A 133 60.859 -5.195 -10.319 1.00 0.00 O ATOM 697 OD2 ASP A 133 60.187 -6.749 -11.651 1.00 0.00 O ATOM 0 H ASP A 133 60.295 -9.405 -8.554 1.00 0.00 H new ATOM 0 HA ASP A 133 61.975 -6.926 -8.768 1.00 0.00 H new ATOM 0 HB2 ASP A 133 59.410 -8.030 -9.679 1.00 0.00 H new ATOM 0 HB3 ASP A 133 59.113 -6.554 -8.782 1.00 0.00 H new ATOM 702 N ILE A 134 59.845 -7.518 -6.337 1.00 0.00 N ATOM 703 CA ILE A 134 59.535 -7.093 -4.944 1.00 0.00 C ATOM 704 C ILE A 134 60.794 -7.173 -4.078 1.00 0.00 C ATOM 705 O ILE A 134 61.043 -6.325 -3.244 1.00 0.00 O ATOM 706 CB ILE A 134 58.485 -8.086 -4.455 1.00 0.00 C ATOM 707 CG1 ILE A 134 57.264 -8.015 -5.375 1.00 0.00 C ATOM 708 CG2 ILE A 134 58.075 -7.728 -3.025 1.00 0.00 C ATOM 709 CD1 ILE A 134 56.128 -8.854 -4.790 1.00 0.00 C ATOM 0 H ILE A 134 59.268 -8.278 -6.696 1.00 0.00 H new ATOM 0 HA ILE A 134 59.178 -6.064 -4.893 1.00 0.00 H new ATOM 0 HB ILE A 134 58.894 -9.096 -4.469 1.00 0.00 H new ATOM 0 HG12 ILE A 134 56.943 -6.980 -5.489 1.00 0.00 H new ATOM 0 HG13 ILE A 134 57.524 -8.380 -6.369 1.00 0.00 H new ATOM 0 HG21 ILE A 134 57.325 -8.436 -2.673 1.00 0.00 H new ATOM 0 HG22 ILE A 134 58.948 -7.772 -2.374 1.00 0.00 H new ATOM 0 HG23 ILE A 134 57.659 -6.721 -3.007 1.00 0.00 H new ATOM 0 HD11 ILE A 134 55.260 -8.801 -5.448 1.00 0.00 H new ATOM 0 HD12 ILE A 134 56.451 -9.891 -4.699 1.00 0.00 H new ATOM 0 HD13 ILE A 134 55.861 -8.469 -3.806 1.00 0.00 H new ATOM 721 N GLU A 135 61.589 -8.187 -4.273 1.00 0.00 N ATOM 722 CA GLU A 135 62.834 -8.326 -3.464 1.00 0.00 C ATOM 723 C GLU A 135 63.723 -7.093 -3.647 1.00 0.00 C ATOM 724 O GLU A 135 64.237 -6.539 -2.695 1.00 0.00 O ATOM 725 CB GLU A 135 63.527 -9.572 -4.017 1.00 0.00 C ATOM 726 CG GLU A 135 62.926 -10.820 -3.371 1.00 0.00 C ATOM 727 CD GLU A 135 64.006 -11.896 -3.235 1.00 0.00 C ATOM 728 OE1 GLU A 135 64.619 -12.221 -4.239 1.00 0.00 O ATOM 729 OE2 GLU A 135 64.202 -12.375 -2.131 1.00 0.00 O ATOM 0 H GLU A 135 61.432 -8.927 -4.958 1.00 0.00 H new ATOM 0 HA GLU A 135 62.627 -8.413 -2.397 1.00 0.00 H new ATOM 0 HB2 GLU A 135 63.408 -9.617 -5.100 1.00 0.00 H new ATOM 0 HB3 GLU A 135 64.597 -9.525 -3.816 1.00 0.00 H new ATOM 0 HG2 GLU A 135 62.517 -10.574 -2.391 1.00 0.00 H new ATOM 0 HG3 GLU A 135 62.100 -11.194 -3.976 1.00 0.00 H new ATOM 736 N ASP A 136 63.908 -6.661 -4.864 1.00 0.00 N ATOM 737 CA ASP A 136 64.763 -5.463 -5.110 1.00 0.00 C ATOM 738 C ASP A 136 64.328 -4.306 -4.206 1.00 0.00 C ATOM 739 O ASP A 136 65.129 -3.719 -3.506 1.00 0.00 O ATOM 740 CB ASP A 136 64.537 -5.111 -6.580 1.00 0.00 C ATOM 741 CG ASP A 136 65.615 -4.129 -7.043 1.00 0.00 C ATOM 742 OD1 ASP A 136 65.842 -3.156 -6.342 1.00 0.00 O ATOM 743 OD2 ASP A 136 66.196 -4.366 -8.089 1.00 0.00 O ATOM 0 H ASP A 136 63.505 -7.085 -5.699 1.00 0.00 H new ATOM 0 HA ASP A 136 65.814 -5.654 -4.894 1.00 0.00 H new ATOM 0 HB2 ASP A 136 64.567 -6.014 -7.190 1.00 0.00 H new ATOM 0 HB3 ASP A 136 63.549 -4.671 -6.711 1.00 0.00 H new ATOM 748 N LEU A 137 63.066 -3.976 -4.213 1.00 0.00 N ATOM 749 CA LEU A 137 62.584 -2.858 -3.353 1.00 0.00 C ATOM 750 C LEU A 137 63.000 -3.096 -1.899 1.00 0.00 C ATOM 751 O LEU A 137 63.449 -2.197 -1.215 1.00 0.00 O ATOM 752 CB LEU A 137 61.061 -2.880 -3.486 1.00 0.00 C ATOM 753 CG LEU A 137 60.655 -2.246 -4.817 1.00 0.00 C ATOM 754 CD1 LEU A 137 60.035 -3.310 -5.724 1.00 0.00 C ATOM 755 CD2 LEU A 137 59.632 -1.137 -4.561 1.00 0.00 C ATOM 0 H LEU A 137 62.348 -4.432 -4.776 1.00 0.00 H new ATOM 0 HA LEU A 137 63.003 -1.897 -3.652 1.00 0.00 H new ATOM 0 HB2 LEU A 137 60.696 -3.906 -3.433 1.00 0.00 H new ATOM 0 HB3 LEU A 137 60.605 -2.336 -2.658 1.00 0.00 H new ATOM 0 HG LEU A 137 61.536 -1.826 -5.302 1.00 0.00 H new ATOM 0 HD11 LEU A 137 59.746 -2.856 -6.672 1.00 0.00 H new ATOM 0 HD12 LEU A 137 60.762 -4.101 -5.907 1.00 0.00 H new ATOM 0 HD13 LEU A 137 59.154 -3.732 -5.240 1.00 0.00 H new ATOM 0 HD21 LEU A 137 59.342 -0.684 -5.509 1.00 0.00 H new ATOM 0 HD22 LEU A 137 58.752 -1.559 -4.076 1.00 0.00 H new ATOM 0 HD23 LEU A 137 60.073 -0.377 -3.916 1.00 0.00 H new ATOM 767 N MET A 138 62.860 -4.303 -1.422 1.00 0.00 N ATOM 768 CA MET A 138 63.250 -4.602 -0.017 1.00 0.00 C ATOM 769 C MET A 138 64.774 -4.572 0.117 1.00 0.00 C ATOM 770 O MET A 138 65.321 -3.877 0.950 1.00 0.00 O ATOM 771 CB MET A 138 62.711 -6.008 0.253 1.00 0.00 C ATOM 772 CG MET A 138 63.403 -6.599 1.484 1.00 0.00 C ATOM 773 SD MET A 138 62.155 -7.236 2.629 1.00 0.00 S ATOM 774 CE MET A 138 61.583 -5.636 3.252 1.00 0.00 C ATOM 0 H MET A 138 62.491 -5.096 -1.947 1.00 0.00 H new ATOM 0 HA MET A 138 62.853 -3.875 0.691 1.00 0.00 H new ATOM 0 HB2 MET A 138 61.633 -5.970 0.413 1.00 0.00 H new ATOM 0 HB3 MET A 138 62.882 -6.646 -0.614 1.00 0.00 H new ATOM 0 HG2 MET A 138 64.080 -7.399 1.185 1.00 0.00 H new ATOM 0 HG3 MET A 138 64.008 -5.837 1.975 1.00 0.00 H new ATOM 0 HE1 MET A 138 60.594 -5.751 3.696 1.00 0.00 H new ATOM 0 HE2 MET A 138 62.279 -5.269 4.006 1.00 0.00 H new ATOM 0 HE3 MET A 138 61.531 -4.923 2.429 1.00 0.00 H new ATOM 784 N LYS A 139 65.463 -5.322 -0.698 1.00 0.00 N ATOM 785 CA LYS A 139 66.949 -5.335 -0.619 1.00 0.00 C ATOM 786 C LYS A 139 67.497 -3.910 -0.717 1.00 0.00 C ATOM 787 O LYS A 139 68.164 -3.427 0.177 1.00 0.00 O ATOM 788 CB LYS A 139 67.400 -6.167 -1.820 1.00 0.00 C ATOM 789 CG LYS A 139 67.906 -7.528 -1.337 1.00 0.00 C ATOM 790 CD LYS A 139 69.378 -7.687 -1.715 1.00 0.00 C ATOM 791 CE LYS A 139 69.550 -7.435 -3.215 1.00 0.00 C ATOM 792 NZ LYS A 139 70.002 -8.739 -3.775 1.00 0.00 N ATOM 0 H LYS A 139 65.061 -5.926 -1.415 1.00 0.00 H new ATOM 0 HA LYS A 139 67.309 -5.748 0.323 1.00 0.00 H new ATOM 0 HB2 LYS A 139 66.571 -6.301 -2.515 1.00 0.00 H new ATOM 0 HB3 LYS A 139 68.189 -5.645 -2.362 1.00 0.00 H new ATOM 0 HG2 LYS A 139 67.786 -7.610 -0.257 1.00 0.00 H new ATOM 0 HG3 LYS A 139 67.316 -8.327 -1.785 1.00 0.00 H new ATOM 0 HD2 LYS A 139 69.988 -6.986 -1.145 1.00 0.00 H new ATOM 0 HD3 LYS A 139 69.723 -8.689 -1.462 1.00 0.00 H new ATOM 0 HE2 LYS A 139 68.614 -7.113 -3.671 1.00 0.00 H new ATOM 0 HE3 LYS A 139 70.283 -6.650 -3.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 70.142 -8.646 -4.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 70.899 -9.017 -3.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 69.282 -9.465 -3.588 1.00 0.00 H new ATOM 806 N ASP A 140 67.218 -3.230 -1.796 1.00 0.00 N ATOM 807 CA ASP A 140 67.720 -1.836 -1.950 1.00 0.00 C ATOM 808 C ASP A 140 67.398 -1.017 -0.698 1.00 0.00 C ATOM 809 O ASP A 140 68.199 -0.230 -0.234 1.00 0.00 O ATOM 810 CB ASP A 140 66.974 -1.278 -3.164 1.00 0.00 C ATOM 811 CG ASP A 140 67.641 0.022 -3.618 1.00 0.00 C ATOM 812 OD1 ASP A 140 68.860 0.070 -3.620 1.00 0.00 O ATOM 813 OD2 ASP A 140 66.921 0.947 -3.956 1.00 0.00 O ATOM 0 H ASP A 140 66.664 -3.580 -2.577 1.00 0.00 H new ATOM 0 HA ASP A 140 68.801 -1.798 -2.084 1.00 0.00 H new ATOM 0 HB2 ASP A 140 66.982 -2.006 -3.975 1.00 0.00 H new ATOM 0 HB3 ASP A 140 65.930 -1.094 -2.910 1.00 0.00 H new ATOM 818 N SER A 141 66.229 -1.196 -0.146 1.00 0.00 N ATOM 819 CA SER A 141 65.855 -0.427 1.075 1.00 0.00 C ATOM 820 C SER A 141 66.541 -1.022 2.306 1.00 0.00 C ATOM 821 O SER A 141 67.258 -0.348 3.018 1.00 0.00 O ATOM 822 CB SER A 141 64.341 -0.580 1.195 1.00 0.00 C ATOM 823 OG SER A 141 63.803 0.568 1.838 1.00 0.00 O ATOM 0 H SER A 141 65.517 -1.841 -0.488 1.00 0.00 H new ATOM 0 HA SER A 141 66.159 0.618 1.008 1.00 0.00 H new ATOM 0 HB2 SER A 141 63.896 -0.700 0.207 1.00 0.00 H new ATOM 0 HB3 SER A 141 64.098 -1.477 1.764 1.00 0.00 H new ATOM 0 HG SER A 141 62.979 0.841 1.384 1.00 0.00 H new ATOM 829 N ASP A 142 66.317 -2.281 2.566 1.00 0.00 N ATOM 830 CA ASP A 142 66.946 -2.920 3.756 1.00 0.00 C ATOM 831 C ASP A 142 68.471 -2.872 3.648 1.00 0.00 C ATOM 832 O ASP A 142 69.115 -3.861 3.361 1.00 0.00 O ATOM 833 CB ASP A 142 66.453 -4.368 3.736 1.00 0.00 C ATOM 834 CG ASP A 142 65.751 -4.691 5.057 1.00 0.00 C ATOM 835 OD1 ASP A 142 65.797 -3.861 5.951 1.00 0.00 O ATOM 836 OD2 ASP A 142 65.179 -5.764 5.153 1.00 0.00 O ATOM 0 H ASP A 142 65.726 -2.895 2.006 1.00 0.00 H new ATOM 0 HA ASP A 142 66.681 -2.410 4.682 1.00 0.00 H new ATOM 0 HB2 ASP A 142 65.767 -4.517 2.902 1.00 0.00 H new ATOM 0 HB3 ASP A 142 67.293 -5.046 3.584 1.00 0.00 H new ATOM 841 N LYS A 143 69.057 -1.731 3.887 1.00 0.00 N ATOM 842 CA LYS A 143 70.541 -1.627 3.811 1.00 0.00 C ATOM 843 C LYS A 143 71.164 -2.178 5.097 1.00 0.00 C ATOM 844 O LYS A 143 72.362 -2.127 5.293 1.00 0.00 O ATOM 845 CB LYS A 143 70.828 -0.132 3.671 1.00 0.00 C ATOM 846 CG LYS A 143 71.105 0.200 2.204 1.00 0.00 C ATOM 847 CD LYS A 143 70.297 1.433 1.797 1.00 0.00 C ATOM 848 CE LYS A 143 70.879 2.020 0.510 1.00 0.00 C ATOM 849 NZ LYS A 143 69.829 1.795 -0.522 1.00 0.00 N ATOM 0 H LYS A 143 68.573 -0.867 4.131 1.00 0.00 H new ATOM 0 HA LYS A 143 70.958 -2.197 2.981 1.00 0.00 H new ATOM 0 HB2 LYS A 143 69.978 0.447 4.032 1.00 0.00 H new ATOM 0 HB3 LYS A 143 71.685 0.143 4.285 1.00 0.00 H new ATOM 0 HG2 LYS A 143 72.169 0.385 2.057 1.00 0.00 H new ATOM 0 HG3 LYS A 143 70.838 -0.647 1.572 1.00 0.00 H new ATOM 0 HD2 LYS A 143 69.252 1.163 1.646 1.00 0.00 H new ATOM 0 HD3 LYS A 143 70.322 2.177 2.593 1.00 0.00 H new ATOM 0 HE2 LYS A 143 71.100 3.081 0.624 1.00 0.00 H new ATOM 0 HE3 LYS A 143 71.813 1.528 0.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 70.238 1.932 -1.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 69.463 0.825 -0.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 69.052 2.471 -0.380 1.00 0.00 H new ATOM 863 N ASN A 144 70.352 -2.704 5.975 1.00 0.00 N ATOM 864 CA ASN A 144 70.878 -3.261 7.253 1.00 0.00 C ATOM 865 C ASN A 144 70.484 -4.741 7.371 1.00 0.00 C ATOM 866 O ASN A 144 70.644 -5.359 8.404 1.00 0.00 O ATOM 867 CB ASN A 144 70.206 -2.410 8.341 1.00 0.00 C ATOM 868 CG ASN A 144 70.090 -3.202 9.647 1.00 0.00 C ATOM 869 OD1 ASN A 144 71.057 -3.760 10.123 1.00 0.00 O ATOM 870 ND2 ASN A 144 68.932 -3.272 10.248 1.00 0.00 N ATOM 0 H ASN A 144 69.341 -2.772 5.860 1.00 0.00 H new ATOM 0 HA ASN A 144 71.965 -3.224 7.328 1.00 0.00 H new ATOM 0 HB2 ASN A 144 70.785 -1.502 8.510 1.00 0.00 H new ATOM 0 HB3 ASN A 144 69.216 -2.099 8.008 1.00 0.00 H new ATOM 0 HD21 ASN A 144 68.840 -3.796 11.118 1.00 0.00 H new ATOM 0 HD22 ASN A 144 68.120 -2.803 9.847 1.00 0.00 H new ATOM 877 N ASN A 145 69.970 -5.310 6.314 1.00 0.00 N ATOM 878 CA ASN A 145 69.563 -6.744 6.360 1.00 0.00 C ATOM 879 C ASN A 145 68.525 -6.958 7.464 1.00 0.00 C ATOM 880 O ASN A 145 68.391 -8.036 8.007 1.00 0.00 O ATOM 881 CB ASN A 145 70.848 -7.514 6.670 1.00 0.00 C ATOM 882 CG ASN A 145 71.152 -8.478 5.522 1.00 0.00 C ATOM 883 OD1 ASN A 145 71.942 -8.173 4.650 1.00 0.00 O ATOM 884 ND2 ASN A 145 70.554 -9.638 5.483 1.00 0.00 N ATOM 0 H ASN A 145 69.814 -4.844 5.420 1.00 0.00 H new ATOM 0 HA ASN A 145 69.109 -7.077 5.427 1.00 0.00 H new ATOM 0 HB2 ASN A 145 71.677 -6.820 6.806 1.00 0.00 H new ATOM 0 HB3 ASN A 145 70.738 -8.066 7.604 1.00 0.00 H new ATOM 0 HD21 ASN A 145 70.750 -10.287 4.721 1.00 0.00 H new ATOM 0 HD22 ASN A 145 69.891 -9.895 6.214 1.00 0.00 H new ATOM 891 N ASP A 146 67.789 -5.933 7.798 1.00 0.00 N ATOM 892 CA ASP A 146 66.756 -6.066 8.864 1.00 0.00 C ATOM 893 C ASP A 146 65.565 -6.878 8.348 1.00 0.00 C ATOM 894 O ASP A 146 64.619 -7.135 9.066 1.00 0.00 O ATOM 895 CB ASP A 146 66.328 -4.631 9.175 1.00 0.00 C ATOM 896 CG ASP A 146 66.290 -4.419 10.688 1.00 0.00 C ATOM 897 OD1 ASP A 146 66.733 -5.302 11.403 1.00 0.00 O ATOM 898 OD2 ASP A 146 65.817 -3.375 11.106 1.00 0.00 O ATOM 0 H ASP A 146 67.859 -5.007 7.377 1.00 0.00 H new ATOM 0 HA ASP A 146 67.135 -6.582 9.746 1.00 0.00 H new ATOM 0 HB2 ASP A 146 67.023 -3.927 8.717 1.00 0.00 H new ATOM 0 HB3 ASP A 146 65.346 -4.434 8.746 1.00 0.00 H new ATOM 903 N GLY A 147 65.603 -7.283 7.107 1.00 0.00 N ATOM 904 CA GLY A 147 64.470 -8.074 6.548 1.00 0.00 C ATOM 905 C GLY A 147 63.191 -7.239 6.609 1.00 0.00 C ATOM 906 O GLY A 147 62.095 -7.755 6.506 1.00 0.00 O ATOM 0 H GLY A 147 66.368 -7.101 6.458 1.00 0.00 H new ATOM 0 HA2 GLY A 147 64.683 -8.358 5.518 1.00 0.00 H new ATOM 0 HA3 GLY A 147 64.342 -8.997 7.113 1.00 0.00 H new ATOM 910 N ARG A 148 63.321 -5.952 6.779 1.00 0.00 N ATOM 911 CA ARG A 148 62.114 -5.081 6.851 1.00 0.00 C ATOM 912 C ARG A 148 62.482 -3.633 6.515 1.00 0.00 C ATOM 913 O ARG A 148 63.541 -3.154 6.870 1.00 0.00 O ATOM 914 CB ARG A 148 61.638 -5.187 8.300 1.00 0.00 C ATOM 915 CG ARG A 148 60.367 -6.035 8.362 1.00 0.00 C ATOM 916 CD ARG A 148 60.311 -6.774 9.700 1.00 0.00 C ATOM 917 NE ARG A 148 59.569 -8.032 9.414 1.00 0.00 N ATOM 918 CZ ARG A 148 58.323 -8.153 9.783 1.00 0.00 C ATOM 919 NH1 ARG A 148 57.521 -7.126 9.718 1.00 0.00 N ATOM 920 NH2 ARG A 148 57.880 -9.302 10.216 1.00 0.00 N ATOM 0 H ARG A 148 64.213 -5.465 6.871 1.00 0.00 H new ATOM 0 HA ARG A 148 61.344 -5.385 6.142 1.00 0.00 H new ATOM 0 HB2 ARG A 148 62.417 -5.635 8.917 1.00 0.00 H new ATOM 0 HB3 ARG A 148 61.444 -4.193 8.703 1.00 0.00 H new ATOM 0 HG2 ARG A 148 59.488 -5.401 8.248 1.00 0.00 H new ATOM 0 HG3 ARG A 148 60.353 -6.750 7.539 1.00 0.00 H new ATOM 0 HD2 ARG A 148 61.312 -6.983 10.078 1.00 0.00 H new ATOM 0 HD3 ARG A 148 59.802 -6.179 10.458 1.00 0.00 H new ATOM 0 HE ARG A 148 60.034 -8.800 8.930 1.00 0.00 H new ATOM 0 HH11 ARG A 148 57.868 -6.229 9.379 1.00 0.00 H new ATOM 0 HH12 ARG A 148 56.547 -7.220 10.006 1.00 0.00 H new ATOM 0 HH21 ARG A 148 58.508 -10.105 10.266 1.00 0.00 H new ATOM 0 HH22 ARG A 148 56.906 -9.397 10.505 1.00 0.00 H new ATOM 934 N ILE A 149 61.615 -2.930 5.839 1.00 0.00 N ATOM 935 CA ILE A 149 61.913 -1.511 5.489 1.00 0.00 C ATOM 936 C ILE A 149 61.459 -0.591 6.627 1.00 0.00 C ATOM 937 O ILE A 149 60.288 -0.508 6.940 1.00 0.00 O ATOM 938 CB ILE A 149 61.113 -1.245 4.206 1.00 0.00 C ATOM 939 CG1 ILE A 149 61.923 -1.709 2.995 1.00 0.00 C ATOM 940 CG2 ILE A 149 60.819 0.251 4.067 1.00 0.00 C ATOM 941 CD1 ILE A 149 60.980 -1.990 1.826 1.00 0.00 C ATOM 0 H ILE A 149 60.713 -3.277 5.514 1.00 0.00 H new ATOM 0 HA ILE A 149 62.977 -1.325 5.341 1.00 0.00 H new ATOM 0 HB ILE A 149 60.172 -1.793 4.258 1.00 0.00 H new ATOM 0 HG12 ILE A 149 62.648 -0.945 2.715 1.00 0.00 H new ATOM 0 HG13 ILE A 149 62.487 -2.608 3.245 1.00 0.00 H new ATOM 0 HG21 ILE A 149 60.251 0.427 3.153 1.00 0.00 H new ATOM 0 HG22 ILE A 149 60.239 0.589 4.926 1.00 0.00 H new ATOM 0 HG23 ILE A 149 61.757 0.804 4.023 1.00 0.00 H new ATOM 0 HD11 ILE A 149 61.558 -2.321 0.963 1.00 0.00 H new ATOM 0 HD12 ILE A 149 60.272 -2.769 2.109 1.00 0.00 H new ATOM 0 HD13 ILE A 149 60.436 -1.081 1.571 1.00 0.00 H new ATOM 953 N ASP A 150 62.378 0.097 7.248 1.00 0.00 N ATOM 954 CA ASP A 150 61.997 1.008 8.365 1.00 0.00 C ATOM 955 C ASP A 150 61.965 2.458 7.879 1.00 0.00 C ATOM 956 O ASP A 150 62.149 2.738 6.711 1.00 0.00 O ATOM 957 CB ASP A 150 63.089 0.821 9.419 1.00 0.00 C ATOM 958 CG ASP A 150 64.423 1.329 8.869 1.00 0.00 C ATOM 959 OD1 ASP A 150 64.455 1.725 7.716 1.00 0.00 O ATOM 960 OD2 ASP A 150 65.391 1.314 9.612 1.00 0.00 O ATOM 0 H ASP A 150 63.374 0.068 7.031 1.00 0.00 H new ATOM 0 HA ASP A 150 61.006 0.784 8.760 1.00 0.00 H new ATOM 0 HB2 ASP A 150 62.828 1.363 10.328 1.00 0.00 H new ATOM 0 HB3 ASP A 150 63.172 -0.232 9.689 1.00 0.00 H new ATOM 965 N PHE A 151 61.736 3.384 8.770 1.00 0.00 N ATOM 966 CA PHE A 151 61.695 4.818 8.364 1.00 0.00 C ATOM 967 C PHE A 151 62.984 5.193 7.626 1.00 0.00 C ATOM 968 O PHE A 151 62.956 5.692 6.519 1.00 0.00 O ATOM 969 CB PHE A 151 61.586 5.596 9.676 1.00 0.00 C ATOM 970 CG PHE A 151 60.443 6.580 9.591 1.00 0.00 C ATOM 971 CD1 PHE A 151 60.577 7.744 8.823 1.00 0.00 C ATOM 972 CD2 PHE A 151 59.252 6.330 10.282 1.00 0.00 C ATOM 973 CE1 PHE A 151 59.519 8.657 8.748 1.00 0.00 C ATOM 974 CE2 PHE A 151 58.194 7.242 10.206 1.00 0.00 C ATOM 975 CZ PHE A 151 58.327 8.406 9.440 1.00 0.00 C ATOM 0 H PHE A 151 61.575 3.209 9.762 1.00 0.00 H new ATOM 0 HA PHE A 151 60.866 5.034 7.690 1.00 0.00 H new ATOM 0 HB2 PHE A 151 61.425 4.908 10.506 1.00 0.00 H new ATOM 0 HB3 PHE A 151 62.519 6.124 9.876 1.00 0.00 H new ATOM 0 HD1 PHE A 151 61.496 7.937 8.289 1.00 0.00 H new ATOM 0 HD2 PHE A 151 59.150 5.433 10.874 1.00 0.00 H new ATOM 0 HE1 PHE A 151 59.621 9.555 8.157 1.00 0.00 H new ATOM 0 HE2 PHE A 151 57.275 7.048 10.738 1.00 0.00 H new ATOM 0 HZ PHE A 151 57.511 9.111 9.382 1.00 0.00 H new ATOM 985 N ASP A 152 64.114 4.954 8.235 1.00 0.00 N ATOM 986 CA ASP A 152 65.405 5.295 7.572 1.00 0.00 C ATOM 987 C ASP A 152 65.470 4.667 6.178 1.00 0.00 C ATOM 988 O ASP A 152 65.541 5.355 5.178 1.00 0.00 O ATOM 989 CB ASP A 152 66.484 4.699 8.477 1.00 0.00 C ATOM 990 CG ASP A 152 67.072 5.798 9.364 1.00 0.00 C ATOM 991 OD1 ASP A 152 67.271 6.892 8.862 1.00 0.00 O ATOM 992 OD2 ASP A 152 67.312 5.527 10.529 1.00 0.00 O ATOM 0 H ASP A 152 64.199 4.538 9.162 1.00 0.00 H new ATOM 0 HA ASP A 152 65.528 6.370 7.441 1.00 0.00 H new ATOM 0 HB2 ASP A 152 66.059 3.907 9.094 1.00 0.00 H new ATOM 0 HB3 ASP A 152 67.270 4.245 7.873 1.00 0.00 H new ATOM 997 N GLU A 153 65.447 3.365 6.103 1.00 0.00 N ATOM 998 CA GLU A 153 65.508 2.693 4.773 1.00 0.00 C ATOM 999 C GLU A 153 64.358 3.175 3.885 1.00 0.00 C ATOM 1000 O GLU A 153 64.562 3.580 2.758 1.00 0.00 O ATOM 1001 CB GLU A 153 65.367 1.202 5.079 1.00 0.00 C ATOM 1002 CG GLU A 153 66.549 0.745 5.935 1.00 0.00 C ATOM 1003 CD GLU A 153 66.233 -0.614 6.560 1.00 0.00 C ATOM 1004 OE1 GLU A 153 65.341 -1.280 6.062 1.00 0.00 O ATOM 1005 OE2 GLU A 153 66.888 -0.966 7.527 1.00 0.00 O ATOM 0 H GLU A 153 65.389 2.737 6.904 1.00 0.00 H new ATOM 0 HA GLU A 153 66.432 2.912 4.238 1.00 0.00 H new ATOM 0 HB2 GLU A 153 64.430 1.014 5.603 1.00 0.00 H new ATOM 0 HB3 GLU A 153 65.333 0.631 4.151 1.00 0.00 H new ATOM 0 HG2 GLU A 153 67.449 0.675 5.324 1.00 0.00 H new ATOM 0 HG3 GLU A 153 66.751 1.478 6.716 1.00 0.00 H new ATOM 1012 N PHE A 154 63.153 3.138 4.384 1.00 0.00 N ATOM 1013 CA PHE A 154 61.996 3.601 3.566 1.00 0.00 C ATOM 1014 C PHE A 154 62.358 4.901 2.841 1.00 0.00 C ATOM 1015 O PHE A 154 62.277 4.991 1.633 1.00 0.00 O ATOM 1016 CB PHE A 154 60.868 3.833 4.575 1.00 0.00 C ATOM 1017 CG PHE A 154 59.813 4.728 3.969 1.00 0.00 C ATOM 1018 CD1 PHE A 154 59.098 4.305 2.842 1.00 0.00 C ATOM 1019 CD2 PHE A 154 59.552 5.982 4.534 1.00 0.00 C ATOM 1020 CE1 PHE A 154 58.121 5.137 2.280 1.00 0.00 C ATOM 1021 CE2 PHE A 154 58.575 6.813 3.973 1.00 0.00 C ATOM 1022 CZ PHE A 154 57.860 6.391 2.846 1.00 0.00 C ATOM 0 H PHE A 154 62.920 2.808 5.321 1.00 0.00 H new ATOM 0 HA PHE A 154 61.708 2.881 2.800 1.00 0.00 H new ATOM 0 HB2 PHE A 154 60.426 2.880 4.865 1.00 0.00 H new ATOM 0 HB3 PHE A 154 61.267 4.288 5.481 1.00 0.00 H new ATOM 0 HD1 PHE A 154 59.300 3.338 2.406 1.00 0.00 H new ATOM 0 HD2 PHE A 154 60.104 6.308 5.403 1.00 0.00 H new ATOM 0 HE1 PHE A 154 57.569 4.811 1.411 1.00 0.00 H new ATOM 0 HE2 PHE A 154 58.373 7.780 4.410 1.00 0.00 H new ATOM 0 HZ PHE A 154 57.107 7.033 2.413 1.00 0.00 H new ATOM 1032 N LEU A 155 62.761 5.905 3.568 1.00 0.00 N ATOM 1033 CA LEU A 155 63.131 7.192 2.912 1.00 0.00 C ATOM 1034 C LEU A 155 64.311 6.974 1.963 1.00 0.00 C ATOM 1035 O LEU A 155 64.268 7.352 0.809 1.00 0.00 O ATOM 1036 CB LEU A 155 63.526 8.124 4.058 1.00 0.00 C ATOM 1037 CG LEU A 155 62.310 8.384 4.946 1.00 0.00 C ATOM 1038 CD1 LEU A 155 62.735 9.201 6.167 1.00 0.00 C ATOM 1039 CD2 LEU A 155 61.260 9.163 4.152 1.00 0.00 C ATOM 0 H LEU A 155 62.850 5.892 4.584 1.00 0.00 H new ATOM 0 HA LEU A 155 62.316 7.605 2.318 1.00 0.00 H new ATOM 0 HB2 LEU A 155 64.329 7.677 4.644 1.00 0.00 H new ATOM 0 HB3 LEU A 155 63.907 9.065 3.661 1.00 0.00 H new ATOM 0 HG LEU A 155 61.889 7.434 5.274 1.00 0.00 H new ATOM 0 HD11 LEU A 155 61.868 9.387 6.800 1.00 0.00 H new ATOM 0 HD12 LEU A 155 63.485 8.648 6.732 1.00 0.00 H new ATOM 0 HD13 LEU A 155 63.156 10.152 5.840 1.00 0.00 H new ATOM 0 HD21 LEU A 155 60.391 9.350 4.783 1.00 0.00 H new ATOM 0 HD22 LEU A 155 61.682 10.113 3.825 1.00 0.00 H new ATOM 0 HD23 LEU A 155 60.957 8.582 3.281 1.00 0.00 H new ATOM 1051 N LYS A 156 65.363 6.365 2.438 1.00 0.00 N ATOM 1052 CA LYS A 156 66.542 6.123 1.559 1.00 0.00 C ATOM 1053 C LYS A 156 66.107 5.396 0.284 1.00 0.00 C ATOM 1054 O LYS A 156 66.424 5.808 -0.814 1.00 0.00 O ATOM 1055 CB LYS A 156 67.483 5.248 2.386 1.00 0.00 C ATOM 1056 CG LYS A 156 68.376 6.140 3.250 1.00 0.00 C ATOM 1057 CD LYS A 156 69.840 5.923 2.865 1.00 0.00 C ATOM 1058 CE LYS A 156 70.661 7.149 3.269 1.00 0.00 C ATOM 1059 NZ LYS A 156 72.081 6.737 3.089 1.00 0.00 N ATOM 0 H LYS A 156 65.457 6.025 3.395 1.00 0.00 H new ATOM 0 HA LYS A 156 67.023 7.050 1.247 1.00 0.00 H new ATOM 0 HB2 LYS A 156 66.907 4.570 3.017 1.00 0.00 H new ATOM 0 HB3 LYS A 156 68.094 4.630 1.729 1.00 0.00 H new ATOM 0 HG2 LYS A 156 68.104 7.187 3.113 1.00 0.00 H new ATOM 0 HG3 LYS A 156 68.228 5.908 4.305 1.00 0.00 H new ATOM 0 HD2 LYS A 156 70.229 5.033 3.359 1.00 0.00 H new ATOM 0 HD3 LYS A 156 69.924 5.754 1.791 1.00 0.00 H new ATOM 0 HE2 LYS A 156 70.418 8.010 2.646 1.00 0.00 H new ATOM 0 HE3 LYS A 156 70.461 7.436 4.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 72.707 7.527 3.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 72.285 5.920 3.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 72.244 6.476 2.095 1.00 0.00 H new ATOM 1073 N MET A 157 65.377 4.321 0.417 1.00 0.00 N ATOM 1074 CA MET A 157 64.921 3.583 -0.794 1.00 0.00 C ATOM 1075 C MET A 157 64.263 4.566 -1.768 1.00 0.00 C ATOM 1076 O MET A 157 64.529 4.559 -2.954 1.00 0.00 O ATOM 1077 CB MET A 157 63.925 2.533 -0.261 1.00 0.00 C ATOM 1078 CG MET A 157 62.479 2.909 -0.614 1.00 0.00 C ATOM 1079 SD MET A 157 61.368 1.571 -0.116 1.00 0.00 S ATOM 1080 CE MET A 157 61.541 0.562 -1.608 1.00 0.00 C ATOM 0 H MET A 157 65.078 3.924 1.308 1.00 0.00 H new ATOM 0 HA MET A 157 65.730 3.103 -1.344 1.00 0.00 H new ATOM 0 HB2 MET A 157 64.163 1.556 -0.682 1.00 0.00 H new ATOM 0 HB3 MET A 157 64.027 2.447 0.821 1.00 0.00 H new ATOM 0 HG2 MET A 157 62.199 3.834 -0.110 1.00 0.00 H new ATOM 0 HG3 MET A 157 62.390 3.090 -1.685 1.00 0.00 H new ATOM 0 HE1 MET A 157 60.835 -0.268 -1.570 1.00 0.00 H new ATOM 0 HE2 MET A 157 61.335 1.173 -2.487 1.00 0.00 H new ATOM 0 HE3 MET A 157 62.557 0.172 -1.668 1.00 0.00 H new ATOM 1090 N MET A 158 63.408 5.410 -1.265 1.00 0.00 N ATOM 1091 CA MET A 158 62.728 6.404 -2.143 1.00 0.00 C ATOM 1092 C MET A 158 63.322 7.797 -1.919 1.00 0.00 C ATOM 1093 O MET A 158 62.611 8.776 -1.817 1.00 0.00 O ATOM 1094 CB MET A 158 61.261 6.371 -1.713 1.00 0.00 C ATOM 1095 CG MET A 158 60.419 5.721 -2.813 1.00 0.00 C ATOM 1096 SD MET A 158 60.003 4.027 -2.332 1.00 0.00 S ATOM 1097 CE MET A 158 58.205 4.205 -2.409 1.00 0.00 C ATOM 0 H MET A 158 63.149 5.455 -0.279 1.00 0.00 H new ATOM 0 HA MET A 158 62.848 6.173 -3.202 1.00 0.00 H new ATOM 0 HB2 MET A 158 61.157 5.812 -0.783 1.00 0.00 H new ATOM 0 HB3 MET A 158 60.905 7.383 -1.519 1.00 0.00 H new ATOM 0 HG2 MET A 158 59.509 6.298 -2.978 1.00 0.00 H new ATOM 0 HG3 MET A 158 60.970 5.719 -3.754 1.00 0.00 H new ATOM 0 HE1 MET A 158 57.734 3.259 -2.144 1.00 0.00 H new ATOM 0 HE2 MET A 158 57.886 4.978 -1.710 1.00 0.00 H new ATOM 0 HE3 MET A 158 57.910 4.486 -3.420 1.00 0.00 H new