USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 479 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 141 SER OG : rot -100:sc= -1.87! USER MOD Set 1.2: A 157 MET CE :methyl -112:sc= -0.795 (180deg=-1.98!) USER MOD Set 1.3: A 158 MET CE :methyl 165:sc= 0 (180deg=-0.314) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0.0063) USER MOD Single : A 101 CYS SG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 ASN :FLIP amide:sc= -2.17! C(o=-5.3!,f=-2.2!) USER MOD Single : A 125 THR OG1 : rot -74:sc= 0.668 USER MOD Single : A 128 HIS : no HD1:sc= -0.214 X(o=-0.21,f=-0.003) USER MOD Single : A 138 MET CE :methyl 173:sc= -1.75 (180deg=-2.12!) USER MOD Single : A 139 LYS NZ :NH3+ -117:sc= 0 (180deg=-0.061) USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 ASN : amide:sc= 0.128 X(o=0.13,f=-0.032) USER MOD Single : A 145 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 156 LYS NZ :NH3+ -140:sc= -0.536 (180deg=-1.56!) USER MOD ----------------------------------------------------------------- ATOM 115 N GLU A 96 58.399 14.992 3.640 1.00 0.00 N ATOM 116 CA GLU A 96 57.131 14.951 4.425 1.00 0.00 C ATOM 117 C GLU A 96 56.149 13.945 3.816 1.00 0.00 C ATOM 118 O GLU A 96 55.538 13.162 4.515 1.00 0.00 O ATOM 119 CB GLU A 96 56.570 16.370 4.335 1.00 0.00 C ATOM 120 CG GLU A 96 57.165 17.228 5.452 1.00 0.00 C ATOM 121 CD GLU A 96 58.576 17.669 5.060 1.00 0.00 C ATOM 122 OE1 GLU A 96 58.715 18.281 4.013 1.00 0.00 O ATOM 123 OE2 GLU A 96 59.495 17.389 5.813 1.00 0.00 O ATOM 0 HA GLU A 96 57.297 14.637 5.456 1.00 0.00 H new ATOM 0 HB2 GLU A 96 56.806 16.804 3.364 1.00 0.00 H new ATOM 0 HB3 GLU A 96 55.483 16.348 4.419 1.00 0.00 H new ATOM 0 HG2 GLU A 96 56.536 18.100 5.629 1.00 0.00 H new ATOM 0 HG3 GLU A 96 57.195 16.662 6.383 1.00 0.00 H new ATOM 130 N GLU A 97 55.986 13.965 2.521 1.00 0.00 N ATOM 131 CA GLU A 97 55.036 13.013 1.874 1.00 0.00 C ATOM 132 C GLU A 97 55.433 11.564 2.173 1.00 0.00 C ATOM 133 O GLU A 97 54.623 10.767 2.604 1.00 0.00 O ATOM 134 CB GLU A 97 55.148 13.297 0.376 1.00 0.00 C ATOM 135 CG GLU A 97 53.812 13.830 -0.141 1.00 0.00 C ATOM 136 CD GLU A 97 53.798 15.356 -0.038 1.00 0.00 C ATOM 137 OE1 GLU A 97 54.208 15.997 -0.990 1.00 0.00 O ATOM 138 OE2 GLU A 97 53.378 15.855 0.993 1.00 0.00 O ATOM 0 H GLU A 97 56.468 14.598 1.883 1.00 0.00 H new ATOM 0 HA GLU A 97 54.018 13.141 2.243 1.00 0.00 H new ATOM 0 HB2 GLU A 97 55.938 14.024 0.191 1.00 0.00 H new ATOM 0 HB3 GLU A 97 55.420 12.387 -0.159 1.00 0.00 H new ATOM 0 HG2 GLU A 97 53.662 13.523 -1.176 1.00 0.00 H new ATOM 0 HG3 GLU A 97 52.991 13.408 0.439 1.00 0.00 H new ATOM 145 N LEU A 98 56.667 11.214 1.943 1.00 0.00 N ATOM 146 CA LEU A 98 57.106 9.814 2.210 1.00 0.00 C ATOM 147 C LEU A 98 56.609 9.357 3.585 1.00 0.00 C ATOM 148 O LEU A 98 55.920 8.365 3.708 1.00 0.00 O ATOM 149 CB LEU A 98 58.633 9.864 2.179 1.00 0.00 C ATOM 150 CG LEU A 98 59.120 9.671 0.743 1.00 0.00 C ATOM 151 CD1 LEU A 98 58.877 8.222 0.312 1.00 0.00 C ATOM 152 CD2 LEU A 98 58.353 10.612 -0.187 1.00 0.00 C ATOM 0 H LEU A 98 57.391 11.835 1.582 1.00 0.00 H new ATOM 0 HA LEU A 98 56.708 9.110 1.479 1.00 0.00 H new ATOM 0 HB2 LEU A 98 58.984 10.820 2.568 1.00 0.00 H new ATOM 0 HB3 LEU A 98 59.046 9.087 2.822 1.00 0.00 H new ATOM 0 HG LEU A 98 60.186 9.894 0.689 1.00 0.00 H new ATOM 0 HD11 LEU A 98 59.224 8.084 -0.712 1.00 0.00 H new ATOM 0 HD12 LEU A 98 59.422 7.549 0.974 1.00 0.00 H new ATOM 0 HD13 LEU A 98 57.811 8.000 0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 98 58.700 10.474 -1.211 1.00 0.00 H new ATOM 0 HD22 LEU A 98 57.287 10.389 -0.132 1.00 0.00 H new ATOM 0 HD23 LEU A 98 58.524 11.644 0.118 1.00 0.00 H new ATOM 164 N ALA A 99 56.952 10.074 4.620 1.00 0.00 N ATOM 165 CA ALA A 99 56.497 9.679 5.983 1.00 0.00 C ATOM 166 C ALA A 99 55.012 9.306 5.958 1.00 0.00 C ATOM 167 O ALA A 99 54.626 8.228 6.363 1.00 0.00 O ATOM 168 CB ALA A 99 56.725 10.917 6.850 1.00 0.00 C ATOM 0 H ALA A 99 57.527 10.915 4.581 1.00 0.00 H new ATOM 0 HA ALA A 99 57.035 8.811 6.363 1.00 0.00 H new ATOM 0 HB1 ALA A 99 56.413 10.707 7.873 1.00 0.00 H new ATOM 0 HB2 ALA A 99 57.783 11.179 6.839 1.00 0.00 H new ATOM 0 HB3 ALA A 99 56.141 11.749 6.457 1.00 0.00 H new ATOM 174 N ASN A 100 54.179 10.190 5.484 1.00 0.00 N ATOM 175 CA ASN A 100 52.719 9.889 5.434 1.00 0.00 C ATOM 176 C ASN A 100 52.476 8.550 4.732 1.00 0.00 C ATOM 177 O ASN A 100 51.678 7.744 5.171 1.00 0.00 O ATOM 178 CB ASN A 100 52.107 11.034 4.626 1.00 0.00 C ATOM 179 CG ASN A 100 51.681 12.156 5.573 1.00 0.00 C ATOM 180 OD1 ASN A 100 52.465 13.027 5.895 1.00 0.00 O ATOM 181 ND2 ASN A 100 50.461 12.173 6.037 1.00 0.00 N ATOM 0 H ASN A 100 54.445 11.108 5.129 1.00 0.00 H new ATOM 0 HA ASN A 100 52.281 9.810 6.429 1.00 0.00 H new ATOM 0 HB2 ASN A 100 52.830 11.410 3.902 1.00 0.00 H new ATOM 0 HB3 ASN A 100 51.247 10.675 4.060 1.00 0.00 H new ATOM 0 HD21 ASN A 100 50.166 12.917 6.669 1.00 0.00 H new ATOM 0 HD22 ASN A 100 49.802 11.442 5.767 1.00 0.00 H new ATOM 188 N CYS A 101 53.154 8.307 3.644 1.00 0.00 N ATOM 189 CA CYS A 101 52.957 7.021 2.913 1.00 0.00 C ATOM 190 C CYS A 101 53.265 5.833 3.829 1.00 0.00 C ATOM 191 O CYS A 101 52.775 4.739 3.625 1.00 0.00 O ATOM 192 CB CYS A 101 53.944 7.072 1.747 1.00 0.00 C ATOM 193 SG CYS A 101 53.049 7.428 0.215 1.00 0.00 S ATOM 0 H CYS A 101 53.836 8.942 3.229 1.00 0.00 H new ATOM 0 HA CYS A 101 51.929 6.896 2.572 1.00 0.00 H new ATOM 0 HB2 CYS A 101 54.697 7.839 1.927 1.00 0.00 H new ATOM 0 HB3 CYS A 101 54.471 6.122 1.661 1.00 0.00 H new ATOM 0 HG CYS A 101 53.888 7.474 -0.777 1.00 0.00 H new ATOM 199 N PHE A 102 54.072 6.034 4.835 1.00 0.00 N ATOM 200 CA PHE A 102 54.401 4.908 5.755 1.00 0.00 C ATOM 201 C PHE A 102 53.116 4.278 6.294 1.00 0.00 C ATOM 202 O PHE A 102 52.843 3.114 6.072 1.00 0.00 O ATOM 203 CB PHE A 102 55.206 5.539 6.891 1.00 0.00 C ATOM 204 CG PHE A 102 55.713 4.450 7.805 1.00 0.00 C ATOM 205 CD1 PHE A 102 54.905 3.975 8.845 1.00 0.00 C ATOM 206 CD2 PHE A 102 56.992 3.914 7.612 1.00 0.00 C ATOM 207 CE1 PHE A 102 55.375 2.963 9.691 1.00 0.00 C ATOM 208 CE2 PHE A 102 57.462 2.902 8.456 1.00 0.00 C ATOM 209 CZ PHE A 102 56.654 2.426 9.496 1.00 0.00 C ATOM 0 H PHE A 102 54.516 6.925 5.059 1.00 0.00 H new ATOM 0 HA PHE A 102 54.960 4.117 5.255 1.00 0.00 H new ATOM 0 HB2 PHE A 102 56.042 6.110 6.487 1.00 0.00 H new ATOM 0 HB3 PHE A 102 54.583 6.238 7.449 1.00 0.00 H new ATOM 0 HD1 PHE A 102 53.919 4.389 8.995 1.00 0.00 H new ATOM 0 HD2 PHE A 102 57.616 4.282 6.811 1.00 0.00 H new ATOM 0 HE1 PHE A 102 54.752 2.597 10.493 1.00 0.00 H new ATOM 0 HE2 PHE A 102 58.448 2.488 8.305 1.00 0.00 H new ATOM 0 HZ PHE A 102 57.017 1.645 10.148 1.00 0.00 H new ATOM 219 N ARG A 103 52.319 5.036 6.996 1.00 0.00 N ATOM 220 CA ARG A 103 51.050 4.476 7.540 1.00 0.00 C ATOM 221 C ARG A 103 50.219 3.878 6.404 1.00 0.00 C ATOM 222 O ARG A 103 49.587 2.851 6.556 1.00 0.00 O ATOM 223 CB ARG A 103 50.326 5.666 8.170 1.00 0.00 C ATOM 224 CG ARG A 103 51.191 6.262 9.282 1.00 0.00 C ATOM 225 CD ARG A 103 50.304 6.655 10.467 1.00 0.00 C ATOM 226 NE ARG A 103 50.943 6.019 11.652 1.00 0.00 N ATOM 227 CZ ARG A 103 50.276 5.899 12.768 1.00 0.00 C ATOM 228 NH1 ARG A 103 49.516 6.876 13.183 1.00 0.00 N ATOM 229 NH2 ARG A 103 50.372 4.802 13.469 1.00 0.00 N ATOM 0 H ARG A 103 52.491 6.017 7.216 1.00 0.00 H new ATOM 0 HA ARG A 103 51.222 3.681 8.265 1.00 0.00 H new ATOM 0 HB2 ARG A 103 50.119 6.421 7.412 1.00 0.00 H new ATOM 0 HB3 ARG A 103 49.365 5.348 8.574 1.00 0.00 H new ATOM 0 HG2 ARG A 103 51.941 5.538 9.600 1.00 0.00 H new ATOM 0 HG3 ARG A 103 51.728 7.135 8.911 1.00 0.00 H new ATOM 0 HD2 ARG A 103 50.252 7.738 10.580 1.00 0.00 H new ATOM 0 HD3 ARG A 103 49.283 6.300 10.331 1.00 0.00 H new ATOM 0 HE ARG A 103 51.902 5.677 11.592 1.00 0.00 H new ATOM 0 HH11 ARG A 103 49.443 7.733 12.635 1.00 0.00 H new ATOM 0 HH12 ARG A 103 48.995 6.782 14.055 1.00 0.00 H new ATOM 0 HH21 ARG A 103 50.968 4.040 13.145 1.00 0.00 H new ATOM 0 HH22 ARG A 103 49.852 4.707 14.341 1.00 0.00 H new ATOM 243 N ILE A 104 50.222 4.511 5.263 1.00 0.00 N ATOM 244 CA ILE A 104 49.439 3.979 4.111 1.00 0.00 C ATOM 245 C ILE A 104 49.974 2.603 3.707 1.00 0.00 C ATOM 246 O ILE A 104 49.223 1.702 3.389 1.00 0.00 O ATOM 247 CB ILE A 104 49.658 4.992 2.986 1.00 0.00 C ATOM 248 CG1 ILE A 104 48.835 6.251 3.266 1.00 0.00 C ATOM 249 CG2 ILE A 104 49.215 4.381 1.655 1.00 0.00 C ATOM 250 CD1 ILE A 104 47.362 5.875 3.433 1.00 0.00 C ATOM 0 H ILE A 104 50.733 5.374 5.078 1.00 0.00 H new ATOM 0 HA ILE A 104 48.382 3.854 4.347 1.00 0.00 H new ATOM 0 HB ILE A 104 50.715 5.252 2.933 1.00 0.00 H new ATOM 0 HG12 ILE A 104 49.200 6.743 4.168 1.00 0.00 H new ATOM 0 HG13 ILE A 104 48.949 6.962 2.447 1.00 0.00 H new ATOM 0 HG21 ILE A 104 49.371 5.103 0.853 1.00 0.00 H new ATOM 0 HG22 ILE A 104 49.800 3.483 1.454 1.00 0.00 H new ATOM 0 HG23 ILE A 104 48.158 4.121 1.708 1.00 0.00 H new ATOM 0 HD11 ILE A 104 46.778 6.773 3.632 1.00 0.00 H new ATOM 0 HD12 ILE A 104 47.001 5.403 2.519 1.00 0.00 H new ATOM 0 HD13 ILE A 104 47.256 5.181 4.267 1.00 0.00 H new ATOM 262 N PHE A 105 51.268 2.435 3.721 1.00 0.00 N ATOM 263 CA PHE A 105 51.855 1.118 3.343 1.00 0.00 C ATOM 264 C PHE A 105 51.863 0.178 4.550 1.00 0.00 C ATOM 265 O PHE A 105 51.486 -0.973 4.457 1.00 0.00 O ATOM 266 CB PHE A 105 53.285 1.432 2.906 1.00 0.00 C ATOM 267 CG PHE A 105 53.352 1.491 1.399 1.00 0.00 C ATOM 268 CD1 PHE A 105 52.250 1.947 0.666 1.00 0.00 C ATOM 269 CD2 PHE A 105 54.517 1.091 0.736 1.00 0.00 C ATOM 270 CE1 PHE A 105 52.313 2.002 -0.732 1.00 0.00 C ATOM 271 CE2 PHE A 105 54.582 1.146 -0.662 1.00 0.00 C ATOM 272 CZ PHE A 105 53.479 1.602 -1.395 1.00 0.00 C ATOM 0 H PHE A 105 51.945 3.153 3.978 1.00 0.00 H new ATOM 0 HA PHE A 105 51.285 0.624 2.556 1.00 0.00 H new ATOM 0 HB2 PHE A 105 53.606 2.383 3.332 1.00 0.00 H new ATOM 0 HB3 PHE A 105 53.967 0.669 3.281 1.00 0.00 H new ATOM 0 HD1 PHE A 105 51.351 2.256 1.179 1.00 0.00 H new ATOM 0 HD2 PHE A 105 55.367 0.740 1.302 1.00 0.00 H new ATOM 0 HE1 PHE A 105 51.463 2.353 -1.298 1.00 0.00 H new ATOM 0 HE2 PHE A 105 55.481 0.837 -1.174 1.00 0.00 H new ATOM 0 HZ PHE A 105 53.528 1.645 -2.473 1.00 0.00 H new ATOM 282 N ASP A 106 52.289 0.663 5.684 1.00 0.00 N ATOM 283 CA ASP A 106 52.323 -0.194 6.899 1.00 0.00 C ATOM 284 C ASP A 106 50.936 -0.231 7.548 1.00 0.00 C ATOM 285 O ASP A 106 50.570 0.650 8.300 1.00 0.00 O ATOM 286 CB ASP A 106 53.335 0.491 7.815 1.00 0.00 C ATOM 287 CG ASP A 106 54.124 -0.562 8.593 1.00 0.00 C ATOM 288 OD1 ASP A 106 53.733 -1.717 8.552 1.00 0.00 O ATOM 289 OD2 ASP A 106 55.107 -0.196 9.217 1.00 0.00 O ATOM 0 H ASP A 106 52.616 1.620 5.820 1.00 0.00 H new ATOM 0 HA ASP A 106 52.597 -1.227 6.686 1.00 0.00 H new ATOM 0 HB2 ASP A 106 54.015 1.106 7.226 1.00 0.00 H new ATOM 0 HB3 ASP A 106 52.820 1.158 8.507 1.00 0.00 H new ATOM 294 N LYS A 107 50.157 -1.238 7.256 1.00 0.00 N ATOM 295 CA LYS A 107 48.790 -1.316 7.849 1.00 0.00 C ATOM 296 C LYS A 107 48.731 -2.382 8.949 1.00 0.00 C ATOM 297 O LYS A 107 47.931 -2.299 9.860 1.00 0.00 O ATOM 298 CB LYS A 107 47.875 -1.701 6.685 1.00 0.00 C ATOM 299 CG LYS A 107 47.921 -0.610 5.613 1.00 0.00 C ATOM 300 CD LYS A 107 47.026 -1.009 4.437 1.00 0.00 C ATOM 301 CE LYS A 107 46.603 0.244 3.667 1.00 0.00 C ATOM 302 NZ LYS A 107 45.116 0.181 3.619 1.00 0.00 N ATOM 0 H LYS A 107 50.407 -2.008 6.635 1.00 0.00 H new ATOM 0 HA LYS A 107 48.496 -0.374 8.313 1.00 0.00 H new ATOM 0 HB2 LYS A 107 48.190 -2.655 6.261 1.00 0.00 H new ATOM 0 HB3 LYS A 107 46.853 -1.833 7.041 1.00 0.00 H new ATOM 0 HG2 LYS A 107 47.587 0.340 6.031 1.00 0.00 H new ATOM 0 HG3 LYS A 107 48.946 -0.465 5.271 1.00 0.00 H new ATOM 0 HD2 LYS A 107 47.560 -1.692 3.776 1.00 0.00 H new ATOM 0 HD3 LYS A 107 46.146 -1.540 4.800 1.00 0.00 H new ATOM 0 HE2 LYS A 107 46.944 1.150 4.169 1.00 0.00 H new ATOM 0 HE3 LYS A 107 47.030 0.255 2.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 44.750 1.008 3.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 44.821 -0.688 3.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 44.737 0.179 4.588 1.00 0.00 H new ATOM 316 N ASN A 108 49.561 -3.387 8.872 1.00 0.00 N ATOM 317 CA ASN A 108 49.533 -4.453 9.917 1.00 0.00 C ATOM 318 C ASN A 108 50.714 -4.300 10.881 1.00 0.00 C ATOM 319 O ASN A 108 50.561 -4.389 12.084 1.00 0.00 O ATOM 320 CB ASN A 108 49.622 -5.771 9.141 1.00 0.00 C ATOM 321 CG ASN A 108 51.076 -6.052 8.752 1.00 0.00 C ATOM 322 OD1 ASN A 108 51.589 -5.448 7.715 1.00 0.00 O flip ATOM 323 ND2 ASN A 108 51.750 -6.829 9.397 1.00 0.00 N flip ATOM 0 H ASN A 108 50.254 -3.517 8.135 1.00 0.00 H new ATOM 0 HA ASN A 108 48.633 -4.404 10.530 1.00 0.00 H new ATOM 0 HB2 ASN A 108 49.235 -6.588 9.750 1.00 0.00 H new ATOM 0 HB3 ASN A 108 49.001 -5.719 8.247 1.00 0.00 H new ATOM 0 HD21 ASN A 108 51.349 -7.301 10.207 1.00 0.00 H new ATOM 0 HD22 ASN A 108 52.717 -7.010 9.128 1.00 0.00 H new ATOM 330 N ALA A 109 51.891 -4.070 10.366 1.00 0.00 N ATOM 331 CA ALA A 109 53.076 -3.911 11.259 1.00 0.00 C ATOM 332 C ALA A 109 53.191 -2.457 11.723 1.00 0.00 C ATOM 333 O ALA A 109 53.508 -2.180 12.863 1.00 0.00 O ATOM 334 CB ALA A 109 54.278 -4.298 10.395 1.00 0.00 C ATOM 0 H ALA A 109 52.084 -3.985 9.368 1.00 0.00 H new ATOM 0 HA ALA A 109 53.006 -4.527 12.156 1.00 0.00 H new ATOM 0 HB1 ALA A 109 55.192 -4.207 10.982 1.00 0.00 H new ATOM 0 HB2 ALA A 109 54.166 -5.328 10.056 1.00 0.00 H new ATOM 0 HB3 ALA A 109 54.334 -3.635 9.531 1.00 0.00 H new ATOM 340 N ASP A 110 52.930 -1.530 10.845 1.00 0.00 N ATOM 341 CA ASP A 110 53.016 -0.093 11.225 1.00 0.00 C ATOM 342 C ASP A 110 54.297 0.161 12.019 1.00 0.00 C ATOM 343 O ASP A 110 54.378 1.065 12.826 1.00 0.00 O ATOM 344 CB ASP A 110 51.780 0.151 12.085 1.00 0.00 C ATOM 345 CG ASP A 110 50.524 -0.107 11.251 1.00 0.00 C ATOM 346 OD1 ASP A 110 50.611 -0.877 10.308 1.00 0.00 O ATOM 347 OD2 ASP A 110 49.497 0.468 11.571 1.00 0.00 O ATOM 0 H ASP A 110 52.660 -1.706 9.877 1.00 0.00 H new ATOM 0 HA ASP A 110 53.047 0.573 10.362 1.00 0.00 H new ATOM 0 HB2 ASP A 110 51.793 -0.505 12.955 1.00 0.00 H new ATOM 0 HB3 ASP A 110 51.779 1.175 12.458 1.00 0.00 H new ATOM 352 N GLY A 111 55.299 -0.638 11.786 1.00 0.00 N ATOM 353 CA GLY A 111 56.589 -0.465 12.511 1.00 0.00 C ATOM 354 C GLY A 111 57.728 -0.994 11.637 1.00 0.00 C ATOM 355 O GLY A 111 58.810 -0.441 11.605 1.00 0.00 O ATOM 0 H GLY A 111 55.280 -1.410 11.119 1.00 0.00 H new ATOM 0 HA2 GLY A 111 56.751 0.587 12.744 1.00 0.00 H new ATOM 0 HA3 GLY A 111 56.562 -1.001 13.460 1.00 0.00 H new ATOM 359 N PHE A 112 57.486 -2.058 10.921 1.00 0.00 N ATOM 360 CA PHE A 112 58.545 -2.624 10.038 1.00 0.00 C ATOM 361 C PHE A 112 57.889 -3.336 8.853 1.00 0.00 C ATOM 362 O PHE A 112 57.234 -4.349 9.008 1.00 0.00 O ATOM 363 CB PHE A 112 59.309 -3.622 10.912 1.00 0.00 C ATOM 364 CG PHE A 112 59.586 -3.006 12.263 1.00 0.00 C ATOM 365 CD1 PHE A 112 60.626 -2.079 12.412 1.00 0.00 C ATOM 366 CD2 PHE A 112 58.803 -3.362 13.368 1.00 0.00 C ATOM 367 CE1 PHE A 112 60.881 -1.510 13.665 1.00 0.00 C ATOM 368 CE2 PHE A 112 59.059 -2.792 14.620 1.00 0.00 C ATOM 369 CZ PHE A 112 60.097 -1.866 14.769 1.00 0.00 C ATOM 0 H PHE A 112 56.599 -2.561 10.910 1.00 0.00 H new ATOM 0 HA PHE A 112 59.209 -1.859 9.635 1.00 0.00 H new ATOM 0 HB2 PHE A 112 58.727 -4.536 11.031 1.00 0.00 H new ATOM 0 HB3 PHE A 112 60.246 -3.900 10.429 1.00 0.00 H new ATOM 0 HD1 PHE A 112 61.231 -1.804 11.560 1.00 0.00 H new ATOM 0 HD2 PHE A 112 58.001 -4.077 13.254 1.00 0.00 H new ATOM 0 HE1 PHE A 112 61.683 -0.796 13.780 1.00 0.00 H new ATOM 0 HE2 PHE A 112 58.455 -3.067 15.472 1.00 0.00 H new ATOM 0 HZ PHE A 112 60.294 -1.426 15.735 1.00 0.00 H new ATOM 379 N ILE A 113 58.049 -2.809 7.672 1.00 0.00 N ATOM 380 CA ILE A 113 57.423 -3.450 6.480 1.00 0.00 C ATOM 381 C ILE A 113 58.295 -4.595 5.962 1.00 0.00 C ATOM 382 O ILE A 113 59.425 -4.396 5.560 1.00 0.00 O ATOM 383 CB ILE A 113 57.328 -2.336 5.437 1.00 0.00 C ATOM 384 CG1 ILE A 113 56.510 -1.174 6.007 1.00 0.00 C ATOM 385 CG2 ILE A 113 56.639 -2.872 4.181 1.00 0.00 C ATOM 386 CD1 ILE A 113 57.219 0.147 5.702 1.00 0.00 C ATOM 0 H ILE A 113 58.585 -1.963 7.479 1.00 0.00 H new ATOM 0 HA ILE A 113 56.449 -3.880 6.712 1.00 0.00 H new ATOM 0 HB ILE A 113 58.330 -1.989 5.184 1.00 0.00 H new ATOM 0 HG12 ILE A 113 55.510 -1.171 5.572 1.00 0.00 H new ATOM 0 HG13 ILE A 113 56.389 -1.294 7.084 1.00 0.00 H new ATOM 0 HG21 ILE A 113 56.571 -2.079 3.437 1.00 0.00 H new ATOM 0 HG22 ILE A 113 57.217 -3.702 3.775 1.00 0.00 H new ATOM 0 HG23 ILE A 113 55.637 -3.218 4.435 1.00 0.00 H new ATOM 0 HD11 ILE A 113 56.637 0.974 6.108 1.00 0.00 H new ATOM 0 HD12 ILE A 113 58.209 0.142 6.158 1.00 0.00 H new ATOM 0 HD13 ILE A 113 57.317 0.267 4.623 1.00 0.00 H new ATOM 398 N ASP A 114 57.776 -5.792 5.959 1.00 0.00 N ATOM 399 CA ASP A 114 58.570 -6.948 5.457 1.00 0.00 C ATOM 400 C ASP A 114 58.284 -7.166 3.970 1.00 0.00 C ATOM 401 O ASP A 114 57.892 -6.257 3.266 1.00 0.00 O ATOM 402 CB ASP A 114 58.097 -8.146 6.283 1.00 0.00 C ATOM 403 CG ASP A 114 56.694 -8.558 5.834 1.00 0.00 C ATOM 404 OD1 ASP A 114 55.746 -7.908 6.243 1.00 0.00 O ATOM 405 OD2 ASP A 114 56.590 -9.519 5.090 1.00 0.00 O ATOM 0 H ASP A 114 56.836 -6.019 6.283 1.00 0.00 H new ATOM 0 HA ASP A 114 59.644 -6.792 5.556 1.00 0.00 H new ATOM 0 HB2 ASP A 114 58.788 -8.980 6.161 1.00 0.00 H new ATOM 0 HB3 ASP A 114 58.090 -7.890 7.342 1.00 0.00 H new ATOM 410 N ILE A 115 58.476 -8.361 3.481 1.00 0.00 N ATOM 411 CA ILE A 115 58.212 -8.618 2.036 1.00 0.00 C ATOM 412 C ILE A 115 56.706 -8.780 1.792 1.00 0.00 C ATOM 413 O ILE A 115 56.191 -8.406 0.757 1.00 0.00 O ATOM 414 CB ILE A 115 58.972 -9.912 1.716 1.00 0.00 C ATOM 415 CG1 ILE A 115 59.279 -9.960 0.218 1.00 0.00 C ATOM 416 CG2 ILE A 115 58.130 -11.132 2.105 1.00 0.00 C ATOM 417 CD1 ILE A 115 60.574 -9.195 -0.063 1.00 0.00 C ATOM 0 H ILE A 115 58.802 -9.166 4.016 1.00 0.00 H new ATOM 0 HA ILE A 115 58.539 -7.796 1.399 1.00 0.00 H new ATOM 0 HB ILE A 115 59.901 -9.929 2.285 1.00 0.00 H new ATOM 0 HG12 ILE A 115 59.377 -10.995 -0.111 1.00 0.00 H new ATOM 0 HG13 ILE A 115 58.456 -9.522 -0.347 1.00 0.00 H new ATOM 0 HG21 ILE A 115 58.681 -12.043 1.873 1.00 0.00 H new ATOM 0 HG22 ILE A 115 57.915 -11.100 3.173 1.00 0.00 H new ATOM 0 HG23 ILE A 115 57.194 -11.121 1.546 1.00 0.00 H new ATOM 0 HD11 ILE A 115 60.793 -9.229 -1.130 1.00 0.00 H new ATOM 0 HD12 ILE A 115 60.459 -8.157 0.251 1.00 0.00 H new ATOM 0 HD13 ILE A 115 61.394 -9.653 0.490 1.00 0.00 H new ATOM 429 N GLU A 116 55.998 -9.335 2.738 1.00 0.00 N ATOM 430 CA GLU A 116 54.529 -9.521 2.561 1.00 0.00 C ATOM 431 C GLU A 116 53.853 -8.176 2.282 1.00 0.00 C ATOM 432 O GLU A 116 53.227 -7.987 1.258 1.00 0.00 O ATOM 433 CB GLU A 116 54.043 -10.101 3.890 1.00 0.00 C ATOM 434 CG GLU A 116 54.426 -11.580 3.968 1.00 0.00 C ATOM 435 CD GLU A 116 53.158 -12.438 3.943 1.00 0.00 C ATOM 436 OE1 GLU A 116 52.188 -12.045 4.569 1.00 0.00 O ATOM 437 OE2 GLU A 116 53.181 -13.473 3.299 1.00 0.00 O ATOM 0 H GLU A 116 56.373 -9.668 3.626 1.00 0.00 H new ATOM 0 HA GLU A 116 54.293 -10.173 1.720 1.00 0.00 H new ATOM 0 HB2 GLU A 116 54.487 -9.554 4.722 1.00 0.00 H new ATOM 0 HB3 GLU A 116 52.962 -9.989 3.975 1.00 0.00 H new ATOM 0 HG2 GLU A 116 55.073 -11.844 3.131 1.00 0.00 H new ATOM 0 HG3 GLU A 116 54.990 -11.773 4.880 1.00 0.00 H new ATOM 444 N GLU A 117 53.975 -7.240 3.183 1.00 0.00 N ATOM 445 CA GLU A 117 53.340 -5.908 2.964 1.00 0.00 C ATOM 446 C GLU A 117 53.589 -5.439 1.528 1.00 0.00 C ATOM 447 O GLU A 117 52.683 -5.021 0.835 1.00 0.00 O ATOM 448 CB GLU A 117 54.021 -4.972 3.963 1.00 0.00 C ATOM 449 CG GLU A 117 53.349 -5.113 5.332 1.00 0.00 C ATOM 450 CD GLU A 117 53.048 -3.725 5.903 1.00 0.00 C ATOM 451 OE1 GLU A 117 52.032 -3.160 5.532 1.00 0.00 O ATOM 452 OE2 GLU A 117 53.838 -3.252 6.703 1.00 0.00 O ATOM 0 H GLU A 117 54.486 -7.339 4.060 1.00 0.00 H new ATOM 0 HA GLU A 117 52.260 -5.935 3.108 1.00 0.00 H new ATOM 0 HB2 GLU A 117 55.081 -5.213 4.040 1.00 0.00 H new ATOM 0 HB3 GLU A 117 53.953 -3.941 3.617 1.00 0.00 H new ATOM 0 HG2 GLU A 117 52.427 -5.686 5.238 1.00 0.00 H new ATOM 0 HG3 GLU A 117 53.999 -5.664 6.012 1.00 0.00 H new ATOM 459 N LEU A 118 54.812 -5.509 1.077 1.00 0.00 N ATOM 460 CA LEU A 118 55.122 -5.072 -0.315 1.00 0.00 C ATOM 461 C LEU A 118 54.294 -5.882 -1.318 1.00 0.00 C ATOM 462 O LEU A 118 53.924 -5.398 -2.369 1.00 0.00 O ATOM 463 CB LEU A 118 56.612 -5.364 -0.498 1.00 0.00 C ATOM 464 CG LEU A 118 57.358 -4.070 -0.827 1.00 0.00 C ATOM 465 CD1 LEU A 118 56.829 -3.499 -2.143 1.00 0.00 C ATOM 466 CD2 LEU A 118 57.139 -3.052 0.295 1.00 0.00 C ATOM 0 H LEU A 118 55.610 -5.850 1.612 1.00 0.00 H new ATOM 0 HA LEU A 118 54.887 -4.020 -0.480 1.00 0.00 H new ATOM 0 HB2 LEU A 118 57.019 -5.808 0.410 1.00 0.00 H new ATOM 0 HB3 LEU A 118 56.754 -6.090 -1.299 1.00 0.00 H new ATOM 0 HG LEU A 118 58.423 -4.280 -0.922 1.00 0.00 H new ATOM 0 HD11 LEU A 118 57.360 -2.577 -2.379 1.00 0.00 H new ATOM 0 HD12 LEU A 118 56.986 -4.223 -2.943 1.00 0.00 H new ATOM 0 HD13 LEU A 118 55.764 -3.290 -2.047 1.00 0.00 H new ATOM 0 HD21 LEU A 118 57.671 -2.130 0.059 1.00 0.00 H new ATOM 0 HD22 LEU A 118 56.074 -2.841 0.392 1.00 0.00 H new ATOM 0 HD23 LEU A 118 57.516 -3.458 1.234 1.00 0.00 H new ATOM 478 N GLY A 119 54.005 -7.116 -1.001 1.00 0.00 N ATOM 479 CA GLY A 119 53.208 -7.962 -1.935 1.00 0.00 C ATOM 480 C GLY A 119 51.835 -7.330 -2.171 1.00 0.00 C ATOM 481 O GLY A 119 51.578 -6.753 -3.208 1.00 0.00 O ATOM 0 H GLY A 119 54.287 -7.575 -0.135 1.00 0.00 H new ATOM 0 HA2 GLY A 119 53.736 -8.069 -2.883 1.00 0.00 H new ATOM 0 HA3 GLY A 119 53.090 -8.963 -1.521 1.00 0.00 H new ATOM 485 N GLU A 120 50.948 -7.440 -1.219 1.00 0.00 N ATOM 486 CA GLU A 120 49.587 -6.851 -1.394 1.00 0.00 C ATOM 487 C GLU A 120 49.683 -5.465 -2.034 1.00 0.00 C ATOM 488 O GLU A 120 48.954 -5.141 -2.950 1.00 0.00 O ATOM 489 CB GLU A 120 49.013 -6.755 0.020 1.00 0.00 C ATOM 490 CG GLU A 120 49.925 -5.890 0.891 1.00 0.00 C ATOM 491 CD GLU A 120 49.489 -6.001 2.353 1.00 0.00 C ATOM 492 OE1 GLU A 120 49.514 -7.102 2.876 1.00 0.00 O ATOM 493 OE2 GLU A 120 49.136 -4.982 2.925 1.00 0.00 O ATOM 0 H GLU A 120 51.106 -7.911 -0.328 1.00 0.00 H new ATOM 0 HA GLU A 120 48.958 -7.454 -2.049 1.00 0.00 H new ATOM 0 HB2 GLU A 120 48.012 -6.326 -0.012 1.00 0.00 H new ATOM 0 HB3 GLU A 120 48.919 -7.751 0.453 1.00 0.00 H new ATOM 0 HG2 GLU A 120 50.961 -6.212 0.784 1.00 0.00 H new ATOM 0 HG3 GLU A 120 49.879 -4.851 0.565 1.00 0.00 H new ATOM 500 N ILE A 121 50.579 -4.646 -1.560 1.00 0.00 N ATOM 501 CA ILE A 121 50.721 -3.280 -2.142 1.00 0.00 C ATOM 502 C ILE A 121 50.754 -3.359 -3.670 1.00 0.00 C ATOM 503 O ILE A 121 49.992 -2.704 -4.354 1.00 0.00 O ATOM 504 CB ILE A 121 52.052 -2.759 -1.603 1.00 0.00 C ATOM 505 CG1 ILE A 121 51.886 -2.380 -0.131 1.00 0.00 C ATOM 506 CG2 ILE A 121 52.482 -1.527 -2.403 1.00 0.00 C ATOM 507 CD1 ILE A 121 53.238 -1.953 0.440 1.00 0.00 C ATOM 0 H ILE A 121 51.219 -4.862 -0.796 1.00 0.00 H new ATOM 0 HA ILE A 121 49.890 -2.627 -1.876 1.00 0.00 H new ATOM 0 HB ILE A 121 52.813 -3.534 -1.698 1.00 0.00 H new ATOM 0 HG12 ILE A 121 51.165 -1.569 -0.032 1.00 0.00 H new ATOM 0 HG13 ILE A 121 51.492 -3.227 0.432 1.00 0.00 H new ATOM 0 HG21 ILE A 121 53.432 -1.156 -2.018 1.00 0.00 H new ATOM 0 HG22 ILE A 121 52.597 -1.797 -3.453 1.00 0.00 H new ATOM 0 HG23 ILE A 121 51.724 -0.749 -2.309 1.00 0.00 H new ATOM 0 HD11 ILE A 121 53.121 -1.683 1.489 1.00 0.00 H new ATOM 0 HD12 ILE A 121 53.946 -2.778 0.355 1.00 0.00 H new ATOM 0 HD13 ILE A 121 53.613 -1.094 -0.116 1.00 0.00 H new ATOM 519 N LEU A 122 51.632 -4.159 -4.209 1.00 0.00 N ATOM 520 CA LEU A 122 51.720 -4.284 -5.691 1.00 0.00 C ATOM 521 C LEU A 122 50.552 -5.122 -6.223 1.00 0.00 C ATOM 522 O LEU A 122 50.016 -4.855 -7.279 1.00 0.00 O ATOM 523 CB LEU A 122 53.053 -4.989 -5.946 1.00 0.00 C ATOM 524 CG LEU A 122 54.181 -4.202 -5.274 1.00 0.00 C ATOM 525 CD1 LEU A 122 55.509 -4.928 -5.489 1.00 0.00 C ATOM 526 CD2 LEU A 122 54.259 -2.803 -5.888 1.00 0.00 C ATOM 0 H LEU A 122 52.294 -4.733 -3.686 1.00 0.00 H new ATOM 0 HA LEU A 122 51.667 -3.318 -6.194 1.00 0.00 H new ATOM 0 HB2 LEU A 122 53.020 -6.006 -5.554 1.00 0.00 H new ATOM 0 HB3 LEU A 122 53.237 -5.066 -7.018 1.00 0.00 H new ATOM 0 HG LEU A 122 53.982 -4.121 -4.205 1.00 0.00 H new ATOM 0 HD11 LEU A 122 56.312 -4.367 -5.010 1.00 0.00 H new ATOM 0 HD12 LEU A 122 55.453 -5.925 -5.053 1.00 0.00 H new ATOM 0 HD13 LEU A 122 55.710 -5.010 -6.557 1.00 0.00 H new ATOM 0 HD21 LEU A 122 55.062 -2.241 -5.411 1.00 0.00 H new ATOM 0 HD22 LEU A 122 54.459 -2.885 -6.956 1.00 0.00 H new ATOM 0 HD23 LEU A 122 53.312 -2.285 -5.735 1.00 0.00 H new ATOM 538 N ARG A 123 50.155 -6.131 -5.499 1.00 0.00 N ATOM 539 CA ARG A 123 49.021 -6.980 -5.967 1.00 0.00 C ATOM 540 C ARG A 123 47.740 -6.147 -6.056 1.00 0.00 C ATOM 541 O ARG A 123 46.926 -6.332 -6.938 1.00 0.00 O ATOM 542 CB ARG A 123 48.880 -8.074 -4.907 1.00 0.00 C ATOM 543 CG ARG A 123 50.015 -9.088 -5.068 1.00 0.00 C ATOM 544 CD ARG A 123 49.442 -10.507 -5.036 1.00 0.00 C ATOM 545 NE ARG A 123 49.197 -10.789 -3.594 1.00 0.00 N ATOM 546 CZ ARG A 123 48.053 -11.288 -3.212 1.00 0.00 C ATOM 547 NH1 ARG A 123 47.726 -12.506 -3.549 1.00 0.00 N ATOM 548 NH2 ARG A 123 47.235 -10.570 -2.492 1.00 0.00 N ATOM 0 H ARG A 123 50.564 -6.405 -4.606 1.00 0.00 H new ATOM 0 HA ARG A 123 49.198 -7.396 -6.959 1.00 0.00 H new ATOM 0 HB2 ARG A 123 48.909 -7.635 -3.910 1.00 0.00 H new ATOM 0 HB3 ARG A 123 47.916 -8.572 -5.009 1.00 0.00 H new ATOM 0 HG2 ARG A 123 50.538 -8.917 -6.009 1.00 0.00 H new ATOM 0 HG3 ARG A 123 50.746 -8.962 -4.269 1.00 0.00 H new ATOM 0 HD2 ARG A 123 48.520 -10.574 -5.614 1.00 0.00 H new ATOM 0 HD3 ARG A 123 50.140 -11.225 -5.466 1.00 0.00 H new ATOM 0 HE ARG A 123 49.923 -10.592 -2.905 1.00 0.00 H new ATOM 0 HH11 ARG A 123 48.365 -13.068 -4.111 1.00 0.00 H new ATOM 0 HH12 ARG A 123 46.832 -12.895 -3.250 1.00 0.00 H new ATOM 0 HH21 ARG A 123 47.490 -9.618 -2.228 1.00 0.00 H new ATOM 0 HH22 ARG A 123 46.341 -10.960 -2.194 1.00 0.00 H new ATOM 562 N ALA A 124 47.556 -5.230 -5.146 1.00 0.00 N ATOM 563 CA ALA A 124 46.328 -4.384 -5.178 1.00 0.00 C ATOM 564 C ALA A 124 46.121 -3.800 -6.578 1.00 0.00 C ATOM 565 O ALA A 124 45.014 -3.731 -7.074 1.00 0.00 O ATOM 566 CB ALA A 124 46.590 -3.267 -4.167 1.00 0.00 C ATOM 0 H ALA A 124 48.202 -5.030 -4.382 1.00 0.00 H new ATOM 0 HA ALA A 124 45.430 -4.953 -4.936 1.00 0.00 H new ATOM 0 HB1 ALA A 124 45.729 -2.599 -4.131 1.00 0.00 H new ATOM 0 HB2 ALA A 124 46.754 -3.700 -3.180 1.00 0.00 H new ATOM 0 HB3 ALA A 124 47.474 -2.704 -4.468 1.00 0.00 H new ATOM 572 N THR A 125 47.177 -3.378 -7.218 1.00 0.00 N ATOM 573 CA THR A 125 47.038 -2.797 -8.585 1.00 0.00 C ATOM 574 C THR A 125 46.475 -3.845 -9.551 1.00 0.00 C ATOM 575 O THR A 125 45.703 -3.535 -10.437 1.00 0.00 O ATOM 576 CB THR A 125 48.456 -2.397 -8.994 1.00 0.00 C ATOM 577 OG1 THR A 125 49.272 -3.558 -9.066 1.00 0.00 O ATOM 578 CG2 THR A 125 49.034 -1.428 -7.962 1.00 0.00 C ATOM 0 H THR A 125 48.129 -3.410 -6.855 1.00 0.00 H new ATOM 0 HA THR A 125 46.355 -1.948 -8.604 1.00 0.00 H new ATOM 0 HB THR A 125 48.429 -1.910 -9.969 1.00 0.00 H new ATOM 0 HG1 THR A 125 49.485 -3.865 -8.160 1.00 0.00 H new ATOM 0 HG21 THR A 125 50.045 -1.144 -8.255 1.00 0.00 H new ATOM 0 HG22 THR A 125 48.408 -0.537 -7.909 1.00 0.00 H new ATOM 0 HG23 THR A 125 49.062 -1.911 -6.985 1.00 0.00 H new ATOM 586 N GLY A 126 46.856 -5.083 -9.387 1.00 0.00 N ATOM 587 CA GLY A 126 46.341 -6.146 -10.296 1.00 0.00 C ATOM 588 C GLY A 126 47.450 -6.581 -11.256 1.00 0.00 C ATOM 589 O GLY A 126 47.212 -7.287 -12.216 1.00 0.00 O ATOM 0 H GLY A 126 47.500 -5.404 -8.664 1.00 0.00 H new ATOM 0 HA2 GLY A 126 45.994 -7.000 -9.714 1.00 0.00 H new ATOM 0 HA3 GLY A 126 45.484 -5.774 -10.858 1.00 0.00 H new ATOM 593 N GLU A 127 48.661 -6.162 -11.006 1.00 0.00 N ATOM 594 CA GLU A 127 49.785 -6.552 -11.906 1.00 0.00 C ATOM 595 C GLU A 127 50.422 -7.858 -11.423 1.00 0.00 C ATOM 596 O GLU A 127 50.466 -8.139 -10.243 1.00 0.00 O ATOM 597 CB GLU A 127 50.786 -5.400 -11.808 1.00 0.00 C ATOM 598 CG GLU A 127 50.570 -4.434 -12.974 1.00 0.00 C ATOM 599 CD GLU A 127 51.071 -3.042 -12.584 1.00 0.00 C ATOM 600 OE1 GLU A 127 52.090 -2.965 -11.919 1.00 0.00 O ATOM 601 OE2 GLU A 127 50.425 -2.076 -12.958 1.00 0.00 O ATOM 0 H GLU A 127 48.921 -5.567 -10.219 1.00 0.00 H new ATOM 0 HA GLU A 127 49.454 -6.721 -12.931 1.00 0.00 H new ATOM 0 HB2 GLU A 127 50.662 -4.876 -10.860 1.00 0.00 H new ATOM 0 HB3 GLU A 127 51.805 -5.787 -11.827 1.00 0.00 H new ATOM 0 HG2 GLU A 127 51.101 -4.789 -13.857 1.00 0.00 H new ATOM 0 HG3 GLU A 127 49.512 -4.392 -13.234 1.00 0.00 H new ATOM 608 N HIS A 128 50.920 -8.656 -12.328 1.00 0.00 N ATOM 609 CA HIS A 128 51.558 -9.941 -11.920 1.00 0.00 C ATOM 610 C HIS A 128 53.027 -9.703 -11.558 1.00 0.00 C ATOM 611 O HIS A 128 53.914 -9.897 -12.365 1.00 0.00 O ATOM 612 CB HIS A 128 51.445 -10.847 -13.146 1.00 0.00 C ATOM 613 CG HIS A 128 51.865 -12.244 -12.777 1.00 0.00 C ATOM 614 ND1 HIS A 128 51.973 -13.256 -13.718 1.00 0.00 N ATOM 615 CD2 HIS A 128 52.205 -12.812 -11.575 1.00 0.00 C ATOM 616 CE1 HIS A 128 52.364 -14.370 -13.073 1.00 0.00 C ATOM 617 NE2 HIS A 128 52.519 -14.155 -11.764 1.00 0.00 N ATOM 0 H HIS A 128 50.913 -8.474 -13.332 1.00 0.00 H new ATOM 0 HA HIS A 128 51.081 -10.383 -11.045 1.00 0.00 H new ATOM 0 HB2 HIS A 128 50.420 -10.850 -13.516 1.00 0.00 H new ATOM 0 HB3 HIS A 128 52.074 -10.467 -13.951 1.00 0.00 H new ATOM 0 HD2 HIS A 128 52.226 -12.296 -10.627 1.00 0.00 H new ATOM 0 HE1 HIS A 128 52.532 -15.322 -13.555 1.00 0.00 H new ATOM 0 HE2 HIS A 128 52.806 -14.830 -11.055 1.00 0.00 H new ATOM 625 N VAL A 129 53.289 -9.278 -10.352 1.00 0.00 N ATOM 626 CA VAL A 129 54.700 -9.022 -9.940 1.00 0.00 C ATOM 627 C VAL A 129 55.287 -10.261 -9.260 1.00 0.00 C ATOM 628 O VAL A 129 54.854 -10.658 -8.195 1.00 0.00 O ATOM 629 CB VAL A 129 54.630 -7.852 -8.951 1.00 0.00 C ATOM 630 CG1 VAL A 129 55.994 -7.163 -8.882 1.00 0.00 C ATOM 631 CG2 VAL A 129 53.575 -6.839 -9.412 1.00 0.00 C ATOM 0 H VAL A 129 52.588 -9.097 -9.634 1.00 0.00 H new ATOM 0 HA VAL A 129 55.338 -8.793 -10.794 1.00 0.00 H new ATOM 0 HB VAL A 129 54.357 -8.233 -7.967 1.00 0.00 H new ATOM 0 HG11 VAL A 129 55.946 -6.331 -8.179 1.00 0.00 H new ATOM 0 HG12 VAL A 129 56.746 -7.878 -8.548 1.00 0.00 H new ATOM 0 HG13 VAL A 129 56.263 -6.789 -9.870 1.00 0.00 H new ATOM 0 HG21 VAL A 129 53.532 -6.011 -8.704 1.00 0.00 H new ATOM 0 HG22 VAL A 129 53.842 -6.459 -10.398 1.00 0.00 H new ATOM 0 HG23 VAL A 129 52.601 -7.325 -9.462 1.00 0.00 H new ATOM 641 N ILE A 130 56.268 -10.874 -9.862 1.00 0.00 N ATOM 642 CA ILE A 130 56.881 -12.086 -9.243 1.00 0.00 C ATOM 643 C ILE A 130 57.741 -11.684 -8.042 1.00 0.00 C ATOM 644 O ILE A 130 58.352 -10.635 -8.030 1.00 0.00 O ATOM 645 CB ILE A 130 57.748 -12.699 -10.343 1.00 0.00 C ATOM 646 CG1 ILE A 130 58.875 -11.728 -10.703 1.00 0.00 C ATOM 647 CG2 ILE A 130 56.889 -12.963 -11.582 1.00 0.00 C ATOM 648 CD1 ILE A 130 59.588 -12.218 -11.965 1.00 0.00 C ATOM 0 H ILE A 130 56.672 -10.590 -10.754 1.00 0.00 H new ATOM 0 HA ILE A 130 56.132 -12.789 -8.878 1.00 0.00 H new ATOM 0 HB ILE A 130 58.174 -13.638 -9.989 1.00 0.00 H new ATOM 0 HG12 ILE A 130 58.470 -10.729 -10.866 1.00 0.00 H new ATOM 0 HG13 ILE A 130 59.583 -11.654 -9.878 1.00 0.00 H new ATOM 0 HG21 ILE A 130 57.507 -13.400 -12.367 1.00 0.00 H new ATOM 0 HG22 ILE A 130 56.085 -13.653 -11.327 1.00 0.00 H new ATOM 0 HG23 ILE A 130 56.463 -12.024 -11.936 1.00 0.00 H new ATOM 0 HD11 ILE A 130 60.391 -11.526 -12.221 1.00 0.00 H new ATOM 0 HD12 ILE A 130 60.006 -13.208 -11.785 1.00 0.00 H new ATOM 0 HD13 ILE A 130 58.876 -12.269 -12.789 1.00 0.00 H new ATOM 660 N GLU A 131 57.789 -12.509 -7.031 1.00 0.00 N ATOM 661 CA GLU A 131 58.607 -12.176 -5.829 1.00 0.00 C ATOM 662 C GLU A 131 59.945 -11.557 -6.247 1.00 0.00 C ATOM 663 O GLU A 131 60.347 -10.525 -5.747 1.00 0.00 O ATOM 664 CB GLU A 131 58.834 -13.512 -5.121 1.00 0.00 C ATOM 665 CG GLU A 131 57.617 -13.842 -4.254 1.00 0.00 C ATOM 666 CD GLU A 131 58.072 -14.117 -2.818 1.00 0.00 C ATOM 667 OE1 GLU A 131 58.692 -15.146 -2.601 1.00 0.00 O ATOM 668 OE2 GLU A 131 57.793 -13.295 -1.962 1.00 0.00 O ATOM 0 H GLU A 131 57.296 -13.401 -6.985 1.00 0.00 H new ATOM 0 HA GLU A 131 58.111 -11.450 -5.184 1.00 0.00 H new ATOM 0 HB2 GLU A 131 58.996 -14.302 -5.855 1.00 0.00 H new ATOM 0 HB3 GLU A 131 59.731 -13.461 -4.504 1.00 0.00 H new ATOM 0 HG2 GLU A 131 56.910 -13.012 -4.270 1.00 0.00 H new ATOM 0 HG3 GLU A 131 57.097 -14.712 -4.655 1.00 0.00 H new ATOM 675 N GLU A 132 60.636 -12.181 -7.162 1.00 0.00 N ATOM 676 CA GLU A 132 61.947 -11.629 -7.612 1.00 0.00 C ATOM 677 C GLU A 132 61.840 -10.117 -7.827 1.00 0.00 C ATOM 678 O GLU A 132 62.810 -9.396 -7.712 1.00 0.00 O ATOM 679 CB GLU A 132 62.244 -12.339 -8.933 1.00 0.00 C ATOM 680 CG GLU A 132 63.628 -12.986 -8.862 1.00 0.00 C ATOM 681 CD GLU A 132 63.479 -14.488 -8.616 1.00 0.00 C ATOM 682 OE1 GLU A 132 62.393 -14.903 -8.247 1.00 0.00 O ATOM 683 OE2 GLU A 132 64.453 -15.199 -8.803 1.00 0.00 O ATOM 0 H GLU A 132 60.350 -13.048 -7.617 1.00 0.00 H new ATOM 0 HA GLU A 132 62.736 -11.789 -6.877 1.00 0.00 H new ATOM 0 HB2 GLU A 132 61.486 -13.097 -9.130 1.00 0.00 H new ATOM 0 HB3 GLU A 132 62.205 -11.627 -9.758 1.00 0.00 H new ATOM 0 HG2 GLU A 132 64.171 -12.811 -9.791 1.00 0.00 H new ATOM 0 HG3 GLU A 132 64.212 -12.532 -8.062 1.00 0.00 H new ATOM 690 N ASP A 133 60.667 -9.630 -8.128 1.00 0.00 N ATOM 691 CA ASP A 133 60.505 -8.163 -8.340 1.00 0.00 C ATOM 692 C ASP A 133 60.384 -7.468 -6.987 1.00 0.00 C ATOM 693 O ASP A 133 61.073 -6.509 -6.700 1.00 0.00 O ATOM 694 CB ASP A 133 59.212 -8.015 -9.142 1.00 0.00 C ATOM 695 CG ASP A 133 59.513 -7.334 -10.478 1.00 0.00 C ATOM 696 OD1 ASP A 133 60.359 -7.836 -11.199 1.00 0.00 O ATOM 697 OD2 ASP A 133 58.893 -6.321 -10.757 1.00 0.00 O ATOM 0 H ASP A 133 59.816 -10.182 -8.236 1.00 0.00 H new ATOM 0 HA ASP A 133 61.351 -7.716 -8.862 1.00 0.00 H new ATOM 0 HB2 ASP A 133 58.765 -8.994 -9.314 1.00 0.00 H new ATOM 0 HB3 ASP A 133 58.487 -7.428 -8.578 1.00 0.00 H new ATOM 702 N ILE A 134 59.519 -7.960 -6.147 1.00 0.00 N ATOM 703 CA ILE A 134 59.352 -7.349 -4.802 1.00 0.00 C ATOM 704 C ILE A 134 60.629 -7.553 -3.988 1.00 0.00 C ATOM 705 O ILE A 134 61.099 -6.662 -3.310 1.00 0.00 O ATOM 706 CB ILE A 134 58.188 -8.110 -4.176 1.00 0.00 C ATOM 707 CG1 ILE A 134 57.006 -8.110 -5.149 1.00 0.00 C ATOM 708 CG2 ILE A 134 57.786 -7.433 -2.864 1.00 0.00 C ATOM 709 CD1 ILE A 134 55.735 -8.534 -4.416 1.00 0.00 C ATOM 0 H ILE A 134 58.918 -8.762 -6.335 1.00 0.00 H new ATOM 0 HA ILE A 134 59.162 -6.276 -4.842 1.00 0.00 H new ATOM 0 HB ILE A 134 58.485 -9.138 -3.970 1.00 0.00 H new ATOM 0 HG12 ILE A 134 56.876 -7.116 -5.578 1.00 0.00 H new ATOM 0 HG13 ILE A 134 57.204 -8.791 -5.977 1.00 0.00 H new ATOM 0 HG21 ILE A 134 56.954 -7.975 -2.415 1.00 0.00 H new ATOM 0 HG22 ILE A 134 58.633 -7.436 -2.179 1.00 0.00 H new ATOM 0 HG23 ILE A 134 57.484 -6.405 -3.063 1.00 0.00 H new ATOM 0 HD11 ILE A 134 54.896 -8.533 -5.112 1.00 0.00 H new ATOM 0 HD12 ILE A 134 55.867 -9.536 -4.009 1.00 0.00 H new ATOM 0 HD13 ILE A 134 55.533 -7.836 -3.604 1.00 0.00 H new ATOM 721 N GLU A 135 61.195 -8.727 -4.060 1.00 0.00 N ATOM 722 CA GLU A 135 62.448 -9.000 -3.299 1.00 0.00 C ATOM 723 C GLU A 135 63.433 -7.842 -3.477 1.00 0.00 C ATOM 724 O GLU A 135 64.069 -7.404 -2.540 1.00 0.00 O ATOM 725 CB GLU A 135 63.013 -10.280 -3.916 1.00 0.00 C ATOM 726 CG GLU A 135 62.625 -11.480 -3.051 1.00 0.00 C ATOM 727 CD GLU A 135 63.284 -12.744 -3.606 1.00 0.00 C ATOM 728 OE1 GLU A 135 64.504 -12.793 -3.621 1.00 0.00 O ATOM 729 OE2 GLU A 135 62.561 -13.639 -4.008 1.00 0.00 O ATOM 0 H GLU A 135 60.844 -9.509 -4.613 1.00 0.00 H new ATOM 0 HA GLU A 135 62.269 -9.107 -2.229 1.00 0.00 H new ATOM 0 HB2 GLU A 135 62.629 -10.409 -4.928 1.00 0.00 H new ATOM 0 HB3 GLU A 135 64.098 -10.210 -3.994 1.00 0.00 H new ATOM 0 HG2 GLU A 135 62.940 -11.316 -2.020 1.00 0.00 H new ATOM 0 HG3 GLU A 135 61.541 -11.598 -3.039 1.00 0.00 H new ATOM 736 N ASP A 136 63.561 -7.342 -4.677 1.00 0.00 N ATOM 737 CA ASP A 136 64.502 -6.212 -4.920 1.00 0.00 C ATOM 738 C ASP A 136 64.134 -5.017 -4.037 1.00 0.00 C ATOM 739 O ASP A 136 64.963 -4.472 -3.335 1.00 0.00 O ATOM 740 CB ASP A 136 64.327 -5.861 -6.399 1.00 0.00 C ATOM 741 CG ASP A 136 65.285 -4.730 -6.773 1.00 0.00 C ATOM 742 OD1 ASP A 136 66.391 -4.723 -6.261 1.00 0.00 O ATOM 743 OD2 ASP A 136 64.896 -3.888 -7.567 1.00 0.00 O ATOM 0 H ASP A 136 63.054 -7.668 -5.500 1.00 0.00 H new ATOM 0 HA ASP A 136 65.533 -6.475 -4.683 1.00 0.00 H new ATOM 0 HB2 ASP A 136 64.523 -6.737 -7.017 1.00 0.00 H new ATOM 0 HB3 ASP A 136 63.298 -5.559 -6.592 1.00 0.00 H new ATOM 748 N LEU A 137 62.896 -4.604 -4.067 1.00 0.00 N ATOM 749 CA LEU A 137 62.475 -3.443 -3.229 1.00 0.00 C ATOM 750 C LEU A 137 62.966 -3.619 -1.789 1.00 0.00 C ATOM 751 O LEU A 137 63.482 -2.702 -1.184 1.00 0.00 O ATOM 752 CB LEU A 137 60.946 -3.452 -3.279 1.00 0.00 C ATOM 753 CG LEU A 137 60.464 -2.474 -4.353 1.00 0.00 C ATOM 754 CD1 LEU A 137 61.050 -1.088 -4.084 1.00 0.00 C ATOM 755 CD2 LEU A 137 60.924 -2.962 -5.728 1.00 0.00 C ATOM 0 H LEU A 137 62.158 -5.020 -4.635 1.00 0.00 H new ATOM 0 HA LEU A 137 62.890 -2.502 -3.591 1.00 0.00 H new ATOM 0 HB2 LEU A 137 60.585 -4.457 -3.499 1.00 0.00 H new ATOM 0 HB3 LEU A 137 60.538 -3.172 -2.308 1.00 0.00 H new ATOM 0 HG LEU A 137 59.376 -2.418 -4.330 1.00 0.00 H new ATOM 0 HD11 LEU A 137 60.706 -0.393 -4.850 1.00 0.00 H new ATOM 0 HD12 LEU A 137 60.724 -0.739 -3.104 1.00 0.00 H new ATOM 0 HD13 LEU A 137 62.138 -1.143 -4.106 1.00 0.00 H new ATOM 0 HD21 LEU A 137 60.581 -2.267 -6.494 1.00 0.00 H new ATOM 0 HD22 LEU A 137 62.012 -3.018 -5.749 1.00 0.00 H new ATOM 0 HD23 LEU A 137 60.506 -3.950 -5.922 1.00 0.00 H new ATOM 767 N MET A 138 62.811 -4.791 -1.237 1.00 0.00 N ATOM 768 CA MET A 138 63.271 -5.022 0.161 1.00 0.00 C ATOM 769 C MET A 138 64.793 -4.880 0.235 1.00 0.00 C ATOM 770 O MET A 138 65.325 -4.236 1.118 1.00 0.00 O ATOM 771 CB MET A 138 62.839 -6.455 0.483 1.00 0.00 C ATOM 772 CG MET A 138 63.666 -6.999 1.652 1.00 0.00 C ATOM 773 SD MET A 138 63.538 -5.870 3.061 1.00 0.00 S ATOM 774 CE MET A 138 61.732 -5.763 3.105 1.00 0.00 C ATOM 0 H MET A 138 62.386 -5.598 -1.693 1.00 0.00 H new ATOM 0 HA MET A 138 62.851 -4.306 0.868 1.00 0.00 H new ATOM 0 HB2 MET A 138 61.779 -6.476 0.735 1.00 0.00 H new ATOM 0 HB3 MET A 138 62.971 -7.089 -0.393 1.00 0.00 H new ATOM 0 HG2 MET A 138 63.309 -7.990 1.933 1.00 0.00 H new ATOM 0 HG3 MET A 138 64.709 -7.108 1.354 1.00 0.00 H new ATOM 0 HE1 MET A 138 61.422 -5.206 3.989 1.00 0.00 H new ATOM 0 HE2 MET A 138 61.376 -5.252 2.211 1.00 0.00 H new ATOM 0 HE3 MET A 138 61.309 -6.767 3.142 1.00 0.00 H new ATOM 784 N LYS A 139 65.495 -5.477 -0.686 1.00 0.00 N ATOM 785 CA LYS A 139 66.980 -5.379 -0.670 1.00 0.00 C ATOM 786 C LYS A 139 67.420 -3.942 -0.959 1.00 0.00 C ATOM 787 O LYS A 139 68.272 -3.395 -0.286 1.00 0.00 O ATOM 788 CB LYS A 139 67.453 -6.319 -1.779 1.00 0.00 C ATOM 789 CG LYS A 139 68.496 -7.286 -1.218 1.00 0.00 C ATOM 790 CD LYS A 139 68.321 -8.660 -1.868 1.00 0.00 C ATOM 791 CE LYS A 139 69.585 -9.017 -2.654 1.00 0.00 C ATOM 792 NZ LYS A 139 69.530 -8.175 -3.883 1.00 0.00 N ATOM 0 H LYS A 139 65.104 -6.029 -1.450 1.00 0.00 H new ATOM 0 HA LYS A 139 67.400 -5.650 0.299 1.00 0.00 H new ATOM 0 HB2 LYS A 139 66.607 -6.875 -2.184 1.00 0.00 H new ATOM 0 HB3 LYS A 139 67.880 -5.744 -2.601 1.00 0.00 H new ATOM 0 HG2 LYS A 139 69.500 -6.906 -1.410 1.00 0.00 H new ATOM 0 HG3 LYS A 139 68.387 -7.367 -0.136 1.00 0.00 H new ATOM 0 HD2 LYS A 139 68.130 -9.414 -1.104 1.00 0.00 H new ATOM 0 HD3 LYS A 139 67.457 -8.653 -2.532 1.00 0.00 H new ATOM 0 HE2 LYS A 139 70.483 -8.807 -2.073 1.00 0.00 H new ATOM 0 HE3 LYS A 139 69.607 -10.078 -2.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 69.466 -8.788 -4.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 68.696 -7.556 -3.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 70.390 -7.594 -3.944 1.00 0.00 H new ATOM 806 N ASP A 140 66.845 -3.327 -1.956 1.00 0.00 N ATOM 807 CA ASP A 140 67.230 -1.926 -2.290 1.00 0.00 C ATOM 808 C ASP A 140 66.966 -0.997 -1.100 1.00 0.00 C ATOM 809 O ASP A 140 67.663 -0.024 -0.896 1.00 0.00 O ATOM 810 CB ASP A 140 66.341 -1.546 -3.475 1.00 0.00 C ATOM 811 CG ASP A 140 66.735 -0.160 -3.986 1.00 0.00 C ATOM 812 OD1 ASP A 140 67.696 -0.077 -4.733 1.00 0.00 O ATOM 813 OD2 ASP A 140 66.072 0.796 -3.619 1.00 0.00 O ATOM 0 H ASP A 140 66.125 -3.734 -2.554 1.00 0.00 H new ATOM 0 HA ASP A 140 68.290 -1.837 -2.526 1.00 0.00 H new ATOM 0 HB2 ASP A 140 66.445 -2.282 -4.272 1.00 0.00 H new ATOM 0 HB3 ASP A 140 65.294 -1.550 -3.173 1.00 0.00 H new ATOM 818 N SER A 141 65.965 -1.288 -0.312 1.00 0.00 N ATOM 819 CA SER A 141 65.663 -0.416 0.860 1.00 0.00 C ATOM 820 C SER A 141 66.437 -0.889 2.092 1.00 0.00 C ATOM 821 O SER A 141 67.271 -0.185 2.628 1.00 0.00 O ATOM 822 CB SER A 141 64.164 -0.577 1.101 1.00 0.00 C ATOM 823 OG SER A 141 63.611 0.679 1.474 1.00 0.00 O ATOM 0 H SER A 141 65.345 -2.090 -0.429 1.00 0.00 H new ATOM 0 HA SER A 141 65.947 0.620 0.676 1.00 0.00 H new ATOM 0 HB2 SER A 141 63.677 -0.949 0.200 1.00 0.00 H new ATOM 0 HB3 SER A 141 63.987 -1.313 1.885 1.00 0.00 H new ATOM 0 HG SER A 141 63.498 0.711 2.447 1.00 0.00 H new ATOM 829 N ASP A 142 66.152 -2.074 2.552 1.00 0.00 N ATOM 830 CA ASP A 142 66.848 -2.602 3.760 1.00 0.00 C ATOM 831 C ASP A 142 68.362 -2.404 3.652 1.00 0.00 C ATOM 832 O ASP A 142 69.072 -3.248 3.143 1.00 0.00 O ATOM 833 CB ASP A 142 66.507 -4.091 3.789 1.00 0.00 C ATOM 834 CG ASP A 142 66.286 -4.535 5.235 1.00 0.00 C ATOM 835 OD1 ASP A 142 67.083 -4.158 6.079 1.00 0.00 O ATOM 836 OD2 ASP A 142 65.325 -5.245 5.474 1.00 0.00 O ATOM 0 H ASP A 142 65.463 -2.704 2.142 1.00 0.00 H new ATOM 0 HA ASP A 142 66.533 -2.085 4.667 1.00 0.00 H new ATOM 0 HB2 ASP A 142 65.611 -4.281 3.198 1.00 0.00 H new ATOM 0 HB3 ASP A 142 67.314 -4.669 3.339 1.00 0.00 H new ATOM 841 N LYS A 143 68.863 -1.307 4.145 1.00 0.00 N ATOM 842 CA LYS A 143 70.333 -1.072 4.090 1.00 0.00 C ATOM 843 C LYS A 143 70.996 -1.757 5.286 1.00 0.00 C ATOM 844 O LYS A 143 72.151 -2.131 5.246 1.00 0.00 O ATOM 845 CB LYS A 143 70.505 0.446 4.168 1.00 0.00 C ATOM 846 CG LYS A 143 71.039 0.967 2.832 1.00 0.00 C ATOM 847 CD LYS A 143 71.911 2.201 3.075 1.00 0.00 C ATOM 848 CE LYS A 143 72.178 2.908 1.745 1.00 0.00 C ATOM 849 NZ LYS A 143 73.605 3.329 1.814 1.00 0.00 N ATOM 0 H LYS A 143 68.320 -0.563 4.583 1.00 0.00 H new ATOM 0 HA LYS A 143 70.791 -1.474 3.186 1.00 0.00 H new ATOM 0 HB2 LYS A 143 69.551 0.920 4.400 1.00 0.00 H new ATOM 0 HB3 LYS A 143 71.193 0.704 4.973 1.00 0.00 H new ATOM 0 HG2 LYS A 143 71.620 0.191 2.333 1.00 0.00 H new ATOM 0 HG3 LYS A 143 70.210 1.219 2.171 1.00 0.00 H new ATOM 0 HD2 LYS A 143 71.413 2.881 3.767 1.00 0.00 H new ATOM 0 HD3 LYS A 143 72.853 1.908 3.539 1.00 0.00 H new ATOM 0 HE2 LYS A 143 72.003 2.241 0.901 1.00 0.00 H new ATOM 0 HE3 LYS A 143 71.519 3.766 1.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 73.864 3.822 0.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 73.740 3.969 2.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 74.209 2.491 1.931 1.00 0.00 H new ATOM 863 N ASN A 144 70.259 -1.934 6.351 1.00 0.00 N ATOM 864 CA ASN A 144 70.826 -2.605 7.555 1.00 0.00 C ATOM 865 C ASN A 144 70.668 -4.123 7.424 1.00 0.00 C ATOM 866 O ASN A 144 71.121 -4.880 8.259 1.00 0.00 O ATOM 867 CB ASN A 144 69.997 -2.080 8.728 1.00 0.00 C ATOM 868 CG ASN A 144 69.841 -0.563 8.606 1.00 0.00 C ATOM 869 OD1 ASN A 144 70.716 0.183 9.001 1.00 0.00 O ATOM 870 ND2 ASN A 144 68.757 -0.071 8.071 1.00 0.00 N ATOM 0 H ASN A 144 69.286 -1.641 6.438 1.00 0.00 H new ATOM 0 HA ASN A 144 71.889 -2.400 7.686 1.00 0.00 H new ATOM 0 HB2 ASN A 144 69.017 -2.557 8.737 1.00 0.00 H new ATOM 0 HB3 ASN A 144 70.482 -2.331 9.671 1.00 0.00 H new ATOM 0 HD21 ASN A 144 68.644 0.939 7.984 1.00 0.00 H new ATOM 0 HD22 ASN A 144 68.023 -0.697 7.739 1.00 0.00 H new ATOM 877 N ASN A 145 70.024 -4.572 6.379 1.00 0.00 N ATOM 878 CA ASN A 145 69.833 -6.037 6.185 1.00 0.00 C ATOM 879 C ASN A 145 68.902 -6.600 7.264 1.00 0.00 C ATOM 880 O ASN A 145 68.822 -7.796 7.463 1.00 0.00 O ATOM 881 CB ASN A 145 71.230 -6.640 6.314 1.00 0.00 C ATOM 882 CG ASN A 145 71.605 -7.346 5.010 1.00 0.00 C ATOM 883 OD1 ASN A 145 71.681 -8.557 4.960 1.00 0.00 O ATOM 884 ND2 ASN A 145 71.846 -6.633 3.944 1.00 0.00 N ATOM 0 H ASN A 145 69.621 -3.984 5.650 1.00 0.00 H new ATOM 0 HA ASN A 145 69.377 -6.268 5.222 1.00 0.00 H new ATOM 0 HB2 ASN A 145 71.956 -5.858 6.538 1.00 0.00 H new ATOM 0 HB3 ASN A 145 71.257 -7.347 7.143 1.00 0.00 H new ATOM 0 HD21 ASN A 145 72.098 -7.093 3.069 1.00 0.00 H new ATOM 0 HD22 ASN A 145 71.782 -5.616 3.986 1.00 0.00 H new ATOM 891 N ASP A 146 68.199 -5.750 7.959 1.00 0.00 N ATOM 892 CA ASP A 146 67.275 -6.243 9.022 1.00 0.00 C ATOM 893 C ASP A 146 66.211 -7.159 8.411 1.00 0.00 C ATOM 894 O ASP A 146 65.536 -7.894 9.106 1.00 0.00 O ATOM 895 CB ASP A 146 66.629 -4.984 9.602 1.00 0.00 C ATOM 896 CG ASP A 146 67.716 -4.051 10.138 1.00 0.00 C ATOM 897 OD1 ASP A 146 68.822 -4.521 10.349 1.00 0.00 O ATOM 898 OD2 ASP A 146 67.425 -2.881 10.327 1.00 0.00 O ATOM 0 H ASP A 146 68.223 -4.737 7.839 1.00 0.00 H new ATOM 0 HA ASP A 146 67.794 -6.822 9.785 1.00 0.00 H new ATOM 0 HB2 ASP A 146 66.045 -4.476 8.834 1.00 0.00 H new ATOM 0 HB3 ASP A 146 65.939 -5.252 10.402 1.00 0.00 H new ATOM 903 N GLY A 147 66.058 -7.121 7.116 1.00 0.00 N ATOM 904 CA GLY A 147 65.040 -7.990 6.460 1.00 0.00 C ATOM 905 C GLY A 147 63.703 -7.250 6.375 1.00 0.00 C ATOM 906 O GLY A 147 62.757 -7.728 5.780 1.00 0.00 O ATOM 0 H GLY A 147 66.594 -6.526 6.484 1.00 0.00 H new ATOM 0 HA2 GLY A 147 65.376 -8.269 5.461 1.00 0.00 H new ATOM 0 HA3 GLY A 147 64.919 -8.914 7.025 1.00 0.00 H new ATOM 910 N ARG A 148 63.612 -6.088 6.962 1.00 0.00 N ATOM 911 CA ARG A 148 62.330 -5.326 6.908 1.00 0.00 C ATOM 912 C ARG A 148 62.600 -3.840 6.654 1.00 0.00 C ATOM 913 O ARG A 148 63.594 -3.294 7.095 1.00 0.00 O ATOM 914 CB ARG A 148 61.691 -5.530 8.282 1.00 0.00 C ATOM 915 CG ARG A 148 60.718 -6.709 8.223 1.00 0.00 C ATOM 916 CD ARG A 148 60.465 -7.233 9.638 1.00 0.00 C ATOM 917 NE ARG A 148 60.743 -8.693 9.562 1.00 0.00 N ATOM 918 CZ ARG A 148 59.901 -9.488 8.961 1.00 0.00 C ATOM 919 NH1 ARG A 148 58.701 -9.654 9.447 1.00 0.00 N ATOM 920 NH2 ARG A 148 60.258 -10.115 7.874 1.00 0.00 N ATOM 0 H ARG A 148 64.367 -5.633 7.476 1.00 0.00 H new ATOM 0 HA ARG A 148 61.682 -5.668 6.101 1.00 0.00 H new ATOM 0 HB2 ARG A 148 62.462 -5.718 9.029 1.00 0.00 H new ATOM 0 HB3 ARG A 148 61.165 -4.626 8.588 1.00 0.00 H new ATOM 0 HG2 ARG A 148 59.779 -6.397 7.766 1.00 0.00 H new ATOM 0 HG3 ARG A 148 61.128 -7.502 7.598 1.00 0.00 H new ATOM 0 HD2 ARG A 148 61.116 -6.744 10.362 1.00 0.00 H new ATOM 0 HD3 ARG A 148 59.439 -7.042 9.952 1.00 0.00 H new ATOM 0 HE ARG A 148 61.592 -9.072 9.980 1.00 0.00 H new ATOM 0 HH11 ARG A 148 58.422 -9.162 10.296 1.00 0.00 H new ATOM 0 HH12 ARG A 148 58.042 -10.275 8.978 1.00 0.00 H new ATOM 0 HH21 ARG A 148 61.195 -9.984 7.494 1.00 0.00 H new ATOM 0 HH22 ARG A 148 59.600 -10.737 7.404 1.00 0.00 H new ATOM 934 N ILE A 149 61.723 -3.181 5.944 1.00 0.00 N ATOM 935 CA ILE A 149 61.927 -1.730 5.658 1.00 0.00 C ATOM 936 C ILE A 149 61.420 -0.881 6.829 1.00 0.00 C ATOM 937 O ILE A 149 60.364 -1.126 7.376 1.00 0.00 O ATOM 938 CB ILE A 149 61.097 -1.449 4.401 1.00 0.00 C ATOM 939 CG1 ILE A 149 61.829 -1.980 3.165 1.00 0.00 C ATOM 940 CG2 ILE A 149 60.884 0.059 4.251 1.00 0.00 C ATOM 941 CD1 ILE A 149 60.810 -2.568 2.187 1.00 0.00 C ATOM 0 H ILE A 149 60.874 -3.585 5.549 1.00 0.00 H new ATOM 0 HA ILE A 149 62.980 -1.485 5.517 1.00 0.00 H new ATOM 0 HB ILE A 149 60.132 -1.948 4.494 1.00 0.00 H new ATOM 0 HG12 ILE A 149 62.388 -1.176 2.686 1.00 0.00 H new ATOM 0 HG13 ILE A 149 62.552 -2.742 3.456 1.00 0.00 H new ATOM 0 HG21 ILE A 149 60.293 0.256 3.356 1.00 0.00 H new ATOM 0 HG22 ILE A 149 60.356 0.441 5.125 1.00 0.00 H new ATOM 0 HG23 ILE A 149 61.850 0.556 4.165 1.00 0.00 H new ATOM 0 HD11 ILE A 149 61.328 -2.947 1.306 1.00 0.00 H new ATOM 0 HD12 ILE A 149 60.271 -3.383 2.670 1.00 0.00 H new ATOM 0 HD13 ILE A 149 60.104 -1.793 1.888 1.00 0.00 H new ATOM 953 N ASP A 150 62.163 0.122 7.207 1.00 0.00 N ATOM 954 CA ASP A 150 61.726 0.997 8.333 1.00 0.00 C ATOM 955 C ASP A 150 61.607 2.445 7.847 1.00 0.00 C ATOM 956 O ASP A 150 61.510 2.706 6.665 1.00 0.00 O ATOM 957 CB ASP A 150 62.827 0.868 9.387 1.00 0.00 C ATOM 958 CG ASP A 150 64.113 1.511 8.863 1.00 0.00 C ATOM 959 OD1 ASP A 150 64.234 1.649 7.657 1.00 0.00 O ATOM 960 OD2 ASP A 150 64.954 1.855 9.677 1.00 0.00 O ATOM 0 H ASP A 150 63.056 0.375 6.784 1.00 0.00 H new ATOM 0 HA ASP A 150 60.753 0.712 8.732 1.00 0.00 H new ATOM 0 HB2 ASP A 150 62.517 1.352 10.313 1.00 0.00 H new ATOM 0 HB3 ASP A 150 63.002 -0.183 9.619 1.00 0.00 H new ATOM 965 N PHE A 151 61.613 3.390 8.746 1.00 0.00 N ATOM 966 CA PHE A 151 61.498 4.817 8.327 1.00 0.00 C ATOM 967 C PHE A 151 62.759 5.254 7.573 1.00 0.00 C ATOM 968 O PHE A 151 62.689 5.946 6.577 1.00 0.00 O ATOM 969 CB PHE A 151 61.345 5.607 9.628 1.00 0.00 C ATOM 970 CG PHE A 151 62.559 5.394 10.502 1.00 0.00 C ATOM 971 CD1 PHE A 151 63.693 6.196 10.334 1.00 0.00 C ATOM 972 CD2 PHE A 151 62.549 4.393 11.481 1.00 0.00 C ATOM 973 CE1 PHE A 151 64.817 6.000 11.144 1.00 0.00 C ATOM 974 CE2 PHE A 151 63.673 4.196 12.292 1.00 0.00 C ATOM 975 CZ PHE A 151 64.808 4.998 12.123 1.00 0.00 C ATOM 0 H PHE A 151 61.692 3.237 9.751 1.00 0.00 H new ATOM 0 HA PHE A 151 60.656 4.980 7.654 1.00 0.00 H new ATOM 0 HB2 PHE A 151 61.226 6.668 9.408 1.00 0.00 H new ATOM 0 HB3 PHE A 151 60.446 5.287 10.155 1.00 0.00 H new ATOM 0 HD1 PHE A 151 63.701 6.967 9.578 1.00 0.00 H new ATOM 0 HD2 PHE A 151 61.674 3.773 11.610 1.00 0.00 H new ATOM 0 HE1 PHE A 151 65.691 6.621 11.015 1.00 0.00 H new ATOM 0 HE2 PHE A 151 63.665 3.425 13.048 1.00 0.00 H new ATOM 0 HZ PHE A 151 65.676 4.844 12.747 1.00 0.00 H new ATOM 985 N ASP A 152 63.911 4.859 8.043 1.00 0.00 N ATOM 986 CA ASP A 152 65.173 5.256 7.353 1.00 0.00 C ATOM 987 C ASP A 152 65.278 4.567 5.988 1.00 0.00 C ATOM 988 O ASP A 152 65.409 5.211 4.967 1.00 0.00 O ATOM 989 CB ASP A 152 66.294 4.781 8.279 1.00 0.00 C ATOM 990 CG ASP A 152 66.981 5.989 8.922 1.00 0.00 C ATOM 991 OD1 ASP A 152 66.636 7.104 8.566 1.00 0.00 O ATOM 992 OD2 ASP A 152 67.841 5.777 9.760 1.00 0.00 O ATOM 0 H ASP A 152 64.034 4.280 8.873 1.00 0.00 H new ATOM 0 HA ASP A 152 65.219 6.329 7.168 1.00 0.00 H new ATOM 0 HB2 ASP A 152 65.888 4.128 9.052 1.00 0.00 H new ATOM 0 HB3 ASP A 152 67.020 4.195 7.716 1.00 0.00 H new ATOM 997 N GLU A 153 65.225 3.265 5.964 1.00 0.00 N ATOM 998 CA GLU A 153 65.327 2.537 4.666 1.00 0.00 C ATOM 999 C GLU A 153 64.214 2.985 3.714 1.00 0.00 C ATOM 1000 O GLU A 153 64.459 3.296 2.565 1.00 0.00 O ATOM 1001 CB GLU A 153 65.168 1.060 5.024 1.00 0.00 C ATOM 1002 CG GLU A 153 66.285 0.646 5.984 1.00 0.00 C ATOM 1003 CD GLU A 153 65.976 -0.734 6.564 1.00 0.00 C ATOM 1004 OE1 GLU A 153 64.837 -0.957 6.938 1.00 0.00 O ATOM 1005 OE2 GLU A 153 66.886 -1.545 6.628 1.00 0.00 O ATOM 0 H GLU A 153 65.115 2.672 6.787 1.00 0.00 H new ATOM 0 HA GLU A 153 66.272 2.732 4.159 1.00 0.00 H new ATOM 0 HB2 GLU A 153 64.195 0.889 5.485 1.00 0.00 H new ATOM 0 HB3 GLU A 153 65.205 0.450 4.122 1.00 0.00 H new ATOM 0 HG2 GLU A 153 67.240 0.626 5.460 1.00 0.00 H new ATOM 0 HG3 GLU A 153 66.378 1.377 6.787 1.00 0.00 H new ATOM 1012 N PHE A 154 62.994 3.021 4.179 1.00 0.00 N ATOM 1013 CA PHE A 154 61.877 3.451 3.289 1.00 0.00 C ATOM 1014 C PHE A 154 62.271 4.723 2.535 1.00 0.00 C ATOM 1015 O PHE A 154 62.215 4.780 1.322 1.00 0.00 O ATOM 1016 CB PHE A 154 60.698 3.724 4.222 1.00 0.00 C ATOM 1017 CG PHE A 154 59.474 4.045 3.397 1.00 0.00 C ATOM 1018 CD1 PHE A 154 58.917 3.066 2.565 1.00 0.00 C ATOM 1019 CD2 PHE A 154 58.898 5.319 3.462 1.00 0.00 C ATOM 1020 CE1 PHE A 154 57.785 3.362 1.797 1.00 0.00 C ATOM 1021 CE2 PHE A 154 57.766 5.615 2.694 1.00 0.00 C ATOM 1022 CZ PHE A 154 57.209 4.636 1.862 1.00 0.00 C ATOM 0 H PHE A 154 62.723 2.773 5.131 1.00 0.00 H new ATOM 0 HA PHE A 154 61.631 2.696 2.542 1.00 0.00 H new ATOM 0 HB2 PHE A 154 60.509 2.855 4.852 1.00 0.00 H new ATOM 0 HB3 PHE A 154 60.931 4.555 4.888 1.00 0.00 H new ATOM 0 HD1 PHE A 154 59.361 2.083 2.516 1.00 0.00 H new ATOM 0 HD2 PHE A 154 59.327 6.074 4.105 1.00 0.00 H new ATOM 0 HE1 PHE A 154 57.356 2.607 1.154 1.00 0.00 H new ATOM 0 HE2 PHE A 154 57.322 6.598 2.743 1.00 0.00 H new ATOM 0 HZ PHE A 154 56.335 4.864 1.270 1.00 0.00 H new ATOM 1032 N LEU A 155 62.671 5.743 3.244 1.00 0.00 N ATOM 1033 CA LEU A 155 63.072 7.009 2.567 1.00 0.00 C ATOM 1034 C LEU A 155 64.343 6.783 1.746 1.00 0.00 C ATOM 1035 O LEU A 155 64.433 7.176 0.600 1.00 0.00 O ATOM 1036 CB LEU A 155 63.334 7.999 3.703 1.00 0.00 C ATOM 1037 CG LEU A 155 62.053 8.199 4.514 1.00 0.00 C ATOM 1038 CD1 LEU A 155 62.410 8.458 5.979 1.00 0.00 C ATOM 1039 CD2 LEU A 155 61.283 9.400 3.960 1.00 0.00 C ATOM 0 H LEU A 155 62.737 5.755 4.262 1.00 0.00 H new ATOM 0 HA LEU A 155 62.309 7.373 1.879 1.00 0.00 H new ATOM 0 HB2 LEU A 155 64.130 7.626 4.348 1.00 0.00 H new ATOM 0 HB3 LEU A 155 63.672 8.952 3.297 1.00 0.00 H new ATOM 0 HG LEU A 155 61.435 7.304 4.443 1.00 0.00 H new ATOM 0 HD11 LEU A 155 61.497 8.600 6.556 1.00 0.00 H new ATOM 0 HD12 LEU A 155 62.961 7.605 6.376 1.00 0.00 H new ATOM 0 HD13 LEU A 155 63.028 9.353 6.050 1.00 0.00 H new ATOM 0 HD21 LEU A 155 60.369 9.544 4.537 1.00 0.00 H new ATOM 0 HD22 LEU A 155 61.902 10.294 4.032 1.00 0.00 H new ATOM 0 HD23 LEU A 155 61.028 9.218 2.916 1.00 0.00 H new ATOM 1051 N LYS A 156 65.328 6.148 2.324 1.00 0.00 N ATOM 1052 CA LYS A 156 66.593 5.895 1.576 1.00 0.00 C ATOM 1053 C LYS A 156 66.281 5.314 0.193 1.00 0.00 C ATOM 1054 O LYS A 156 66.689 5.847 -0.819 1.00 0.00 O ATOM 1055 CB LYS A 156 67.360 4.879 2.424 1.00 0.00 C ATOM 1056 CG LYS A 156 68.865 5.092 2.239 1.00 0.00 C ATOM 1057 CD LYS A 156 69.380 6.050 3.316 1.00 0.00 C ATOM 1058 CE LYS A 156 69.047 5.490 4.699 1.00 0.00 C ATOM 1059 NZ LYS A 156 67.929 6.338 5.199 1.00 0.00 N ATOM 0 H LYS A 156 65.311 5.794 3.281 1.00 0.00 H new ATOM 0 HA LYS A 156 67.168 6.807 1.416 1.00 0.00 H new ATOM 0 HB2 LYS A 156 67.093 4.991 3.475 1.00 0.00 H new ATOM 0 HB3 LYS A 156 67.087 3.865 2.132 1.00 0.00 H new ATOM 0 HG2 LYS A 156 69.389 4.138 2.304 1.00 0.00 H new ATOM 0 HG3 LYS A 156 69.067 5.499 1.248 1.00 0.00 H new ATOM 0 HD2 LYS A 156 70.457 6.182 3.215 1.00 0.00 H new ATOM 0 HD3 LYS A 156 68.925 7.033 3.191 1.00 0.00 H new ATOM 0 HE2 LYS A 156 68.752 4.442 4.640 1.00 0.00 H new ATOM 0 HE3 LYS A 156 69.909 5.541 5.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 68.066 6.532 6.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 67.912 7.236 4.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 67.027 5.840 5.061 1.00 0.00 H new ATOM 1073 N MET A 157 65.559 4.227 0.141 1.00 0.00 N ATOM 1074 CA MET A 157 65.226 3.623 -1.182 1.00 0.00 C ATOM 1075 C MET A 157 64.477 4.645 -2.043 1.00 0.00 C ATOM 1076 O MET A 157 64.849 4.917 -3.168 1.00 0.00 O ATOM 1077 CB MET A 157 64.364 2.386 -0.847 1.00 0.00 C ATOM 1078 CG MET A 157 62.873 2.637 -1.124 1.00 0.00 C ATOM 1079 SD MET A 157 62.001 1.050 -1.163 1.00 0.00 S ATOM 1080 CE MET A 157 60.888 1.356 0.232 1.00 0.00 C ATOM 0 H MET A 157 65.187 3.733 0.952 1.00 0.00 H new ATOM 0 HA MET A 157 66.104 3.334 -1.759 1.00 0.00 H new ATOM 0 HB2 MET A 157 64.705 1.535 -1.437 1.00 0.00 H new ATOM 0 HB3 MET A 157 64.499 2.122 0.202 1.00 0.00 H new ATOM 0 HG2 MET A 157 62.450 3.279 -0.352 1.00 0.00 H new ATOM 0 HG3 MET A 157 62.750 3.157 -2.074 1.00 0.00 H new ATOM 0 HE1 MET A 157 61.154 0.700 1.061 1.00 0.00 H new ATOM 0 HE2 MET A 157 60.979 2.395 0.549 1.00 0.00 H new ATOM 0 HE3 MET A 157 59.860 1.158 -0.072 1.00 0.00 H new ATOM 1090 N MET A 158 63.429 5.216 -1.519 1.00 0.00 N ATOM 1091 CA MET A 158 62.660 6.224 -2.305 1.00 0.00 C ATOM 1092 C MET A 158 63.223 7.625 -2.056 1.00 0.00 C ATOM 1093 O MET A 158 62.492 8.588 -1.941 1.00 0.00 O ATOM 1094 CB MET A 158 61.225 6.119 -1.787 1.00 0.00 C ATOM 1095 CG MET A 158 60.428 5.171 -2.685 1.00 0.00 C ATOM 1096 SD MET A 158 58.662 5.528 -2.523 1.00 0.00 S ATOM 1097 CE MET A 158 58.209 4.021 -1.630 1.00 0.00 C ATOM 0 H MET A 158 63.071 5.030 -0.582 1.00 0.00 H new ATOM 0 HA MET A 158 62.717 6.045 -3.379 1.00 0.00 H new ATOM 0 HB2 MET A 158 61.223 5.752 -0.760 1.00 0.00 H new ATOM 0 HB3 MET A 158 60.758 7.104 -1.775 1.00 0.00 H new ATOM 0 HG2 MET A 158 60.740 5.288 -3.723 1.00 0.00 H new ATOM 0 HG3 MET A 158 60.628 4.136 -2.407 1.00 0.00 H new ATOM 0 HE1 MET A 158 57.219 4.142 -1.191 1.00 0.00 H new ATOM 0 HE2 MET A 158 58.199 3.178 -2.321 1.00 0.00 H new ATOM 0 HE3 MET A 158 58.936 3.834 -0.840 1.00 0.00 H new