USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 376 hydrogens (21 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 NoAdj-H: A 434 HIS HE2 : A 434 HIS NE2 : A1001 ZNZN :(H bumps) USER MOD NoAdj-H: A 440 HIS HE2 : A 440 HIS NE2 : A1001 ZNZN :(H bumps) USER MOD Set 1.1: A 428 TYR OH : rot -150:sc= 0.0369 USER MOD Set 1.2: A1003 RIB O5' : rot -33:sc= 0.218 USER MOD Set 2.1: A 423 TYR OH : rot -156:sc= -1.45! USER MOD Set 2.2: A1003 RIB O2' : rot 92:sc= 0.542 USER MOD Single : A 408 GLN : amide:sc= -0.937 K(o=-0.94,f=-10!) USER MOD Single : A 412 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.061) USER MOD Single : A 415 THR OG1 : rot 180:sc= 0.0876 USER MOD Single : A 426 SER OG : rot 66:sc= 1.01 USER MOD Single : A 430 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 431 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 433 GLN : amide:sc= -2.49! C(o=-2.5!,f=-2.9!) USER MOD Single : A 435 LYS NZ :NH3+ 163:sc= -0.661 (180deg=-1.45) USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 441 ASN : amide:sc= -1.36 K(o=-1.4,f=-4.4!) USER MOD Single : A 442 THR OG1 : rot 180:sc= 0 USER MOD Single : A 447 ASN : amide:sc= -0.0485 X(o=-0.049,f=0) USER MOD Single : A1002 ADN O3' : rot 92:sc= 0.175 USER MOD Single : A1002 ADN O5' : rot 180:sc= 0 USER MOD Single : A1003 RIB O3' : rot 134:sc= 0.345 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 405 -9.507 -5.790 -22.101 1.00 0.00 N ATOM 2 CA GLY A 405 -10.481 -4.762 -22.566 1.00 0.00 C ATOM 3 C GLY A 405 -9.767 -3.753 -23.476 1.00 0.00 C ATOM 4 O GLY A 405 -9.372 -4.084 -24.578 1.00 0.00 O ATOM 0 HA2 GLY A 405 -11.299 -5.239 -23.106 1.00 0.00 H new ATOM 0 HA3 GLY A 405 -10.920 -4.249 -21.711 1.00 0.00 H new ATOM 8 N GLY A 406 -9.598 -2.523 -23.030 1.00 0.00 N ATOM 9 CA GLY A 406 -8.910 -1.506 -23.879 1.00 0.00 C ATOM 10 C GLY A 406 -7.598 -1.079 -23.207 1.00 0.00 C ATOM 11 O GLY A 406 -6.614 -1.792 -23.257 1.00 0.00 O ATOM 0 H GLY A 406 -9.908 -2.188 -22.118 1.00 0.00 H new ATOM 0 HA2 GLY A 406 -8.707 -1.919 -24.867 1.00 0.00 H new ATOM 0 HA3 GLY A 406 -9.556 -0.640 -24.022 1.00 0.00 H new ATOM 15 N VAL A 407 -7.571 0.079 -22.578 1.00 0.00 N ATOM 16 CA VAL A 407 -6.316 0.539 -21.908 1.00 0.00 C ATOM 17 C VAL A 407 -6.632 1.082 -20.503 1.00 0.00 C ATOM 18 O VAL A 407 -6.337 2.222 -20.197 1.00 0.00 O ATOM 19 CB VAL A 407 -5.758 1.643 -22.818 1.00 0.00 C ATOM 20 CG1 VAL A 407 -6.781 2.776 -22.965 1.00 0.00 C ATOM 21 CG2 VAL A 407 -4.465 2.200 -22.216 1.00 0.00 C ATOM 0 H VAL A 407 -8.362 0.718 -22.503 1.00 0.00 H new ATOM 0 HA VAL A 407 -5.596 -0.268 -21.773 1.00 0.00 H new ATOM 0 HB VAL A 407 -5.553 1.219 -23.801 1.00 0.00 H new ATOM 0 HG11 VAL A 407 -6.373 3.552 -23.612 1.00 0.00 H new ATOM 0 HG12 VAL A 407 -7.699 2.383 -23.403 1.00 0.00 H new ATOM 0 HG13 VAL A 407 -6.999 3.199 -21.984 1.00 0.00 H new ATOM 0 HG21 VAL A 407 -4.070 2.983 -22.863 1.00 0.00 H new ATOM 0 HG22 VAL A 407 -4.672 2.614 -21.229 1.00 0.00 H new ATOM 0 HG23 VAL A 407 -3.731 1.399 -22.126 1.00 0.00 H new ATOM 31 N GLN A 408 -7.231 0.277 -19.648 1.00 0.00 N ATOM 32 CA GLN A 408 -7.561 0.756 -18.271 1.00 0.00 C ATOM 33 C GLN A 408 -7.271 -0.348 -17.242 1.00 0.00 C ATOM 34 O GLN A 408 -6.723 -1.381 -17.578 1.00 0.00 O ATOM 35 CB GLN A 408 -9.057 1.089 -18.305 1.00 0.00 C ATOM 36 CG GLN A 408 -9.866 -0.147 -18.720 1.00 0.00 C ATOM 37 CD GLN A 408 -10.152 -0.093 -20.226 1.00 0.00 C ATOM 38 OE1 GLN A 408 -9.540 -0.808 -20.993 1.00 0.00 O ATOM 39 NE2 GLN A 408 -11.063 0.729 -20.689 1.00 0.00 N ATOM 0 H GLN A 408 -7.502 -0.686 -19.848 1.00 0.00 H new ATOM 0 HA GLN A 408 -6.964 1.621 -17.983 1.00 0.00 H new ATOM 0 HB2 GLN A 408 -9.383 1.433 -17.323 1.00 0.00 H new ATOM 0 HB3 GLN A 408 -9.240 1.904 -19.005 1.00 0.00 H new ATOM 0 HG2 GLN A 408 -9.313 -1.054 -18.477 1.00 0.00 H new ATOM 0 HG3 GLN A 408 -10.802 -0.185 -18.163 1.00 0.00 H new ATOM 0 HE21 GLN A 408 -11.579 1.331 -20.048 1.00 0.00 H new ATOM 0 HE22 GLN A 408 -11.255 0.766 -21.690 1.00 0.00 H new ATOM 48 N ILE A 409 -7.637 -0.143 -15.992 1.00 0.00 N ATOM 49 CA ILE A 409 -7.378 -1.192 -14.959 1.00 0.00 C ATOM 50 C ILE A 409 -8.650 -1.472 -14.144 1.00 0.00 C ATOM 51 O ILE A 409 -8.646 -1.390 -12.929 1.00 0.00 O ATOM 52 CB ILE A 409 -6.274 -0.632 -14.060 1.00 0.00 C ATOM 53 CG1 ILE A 409 -6.715 0.707 -13.455 1.00 0.00 C ATOM 54 CG2 ILE A 409 -5.004 -0.427 -14.886 1.00 0.00 C ATOM 55 CD1 ILE A 409 -6.211 0.804 -12.014 1.00 0.00 C ATOM 0 H ILE A 409 -8.099 0.700 -15.650 1.00 0.00 H new ATOM 0 HA ILE A 409 -7.080 -2.136 -15.414 1.00 0.00 H new ATOM 0 HB ILE A 409 -6.078 -1.337 -13.253 1.00 0.00 H new ATOM 0 HG12 ILE A 409 -6.320 1.533 -14.046 1.00 0.00 H new ATOM 0 HG13 ILE A 409 -7.802 0.789 -13.478 1.00 0.00 H new ATOM 0 HG21 ILE A 409 -4.215 -0.028 -14.248 1.00 0.00 H new ATOM 0 HG22 ILE A 409 -4.684 -1.381 -15.304 1.00 0.00 H new ATOM 0 HG23 ILE A 409 -5.206 0.275 -15.695 1.00 0.00 H new ATOM 0 HD11 ILE A 409 -6.523 1.755 -11.582 1.00 0.00 H new ATOM 0 HD12 ILE A 409 -6.627 -0.015 -11.427 1.00 0.00 H new ATOM 0 HD13 ILE A 409 -5.123 0.741 -12.004 1.00 0.00 H new ATOM 67 N VAL A 410 -9.734 -1.822 -14.801 1.00 0.00 N ATOM 68 CA VAL A 410 -10.996 -2.128 -14.055 1.00 0.00 C ATOM 69 C VAL A 410 -11.207 -3.647 -14.044 1.00 0.00 C ATOM 70 O VAL A 410 -12.140 -4.155 -14.636 1.00 0.00 O ATOM 71 CB VAL A 410 -12.120 -1.420 -14.821 1.00 0.00 C ATOM 72 CG1 VAL A 410 -13.456 -1.671 -14.117 1.00 0.00 C ATOM 73 CG2 VAL A 410 -11.843 0.084 -14.860 1.00 0.00 C ATOM 0 H VAL A 410 -9.798 -1.908 -15.815 1.00 0.00 H new ATOM 0 HA VAL A 410 -10.967 -1.789 -13.020 1.00 0.00 H new ATOM 0 HB VAL A 410 -12.165 -1.809 -15.838 1.00 0.00 H new ATOM 0 HG11 VAL A 410 -14.255 -1.168 -14.662 1.00 0.00 H new ATOM 0 HG12 VAL A 410 -13.656 -2.742 -14.087 1.00 0.00 H new ATOM 0 HG13 VAL A 410 -13.410 -1.282 -13.100 1.00 0.00 H new ATOM 0 HG21 VAL A 410 -12.642 0.587 -15.405 1.00 0.00 H new ATOM 0 HG22 VAL A 410 -11.797 0.472 -13.842 1.00 0.00 H new ATOM 0 HG23 VAL A 410 -10.892 0.266 -15.361 1.00 0.00 H new ATOM 83 N GLY A 411 -10.330 -4.377 -13.387 1.00 0.00 N ATOM 84 CA GLY A 411 -10.461 -5.861 -13.354 1.00 0.00 C ATOM 85 C GLY A 411 -9.366 -6.469 -14.239 1.00 0.00 C ATOM 86 O GLY A 411 -9.648 -7.225 -15.150 1.00 0.00 O ATOM 0 H GLY A 411 -9.532 -4.002 -12.874 1.00 0.00 H new ATOM 0 HA2 GLY A 411 -10.367 -6.226 -12.331 1.00 0.00 H new ATOM 0 HA3 GLY A 411 -11.446 -6.162 -13.711 1.00 0.00 H new ATOM 90 N GLN A 412 -8.115 -6.149 -13.975 1.00 0.00 N ATOM 91 CA GLN A 412 -7.002 -6.728 -14.816 1.00 0.00 C ATOM 92 C GLN A 412 -7.013 -8.264 -14.726 1.00 0.00 C ATOM 93 O GLN A 412 -6.545 -8.939 -15.622 1.00 0.00 O ATOM 94 CB GLN A 412 -5.658 -6.219 -14.253 1.00 0.00 C ATOM 95 CG GLN A 412 -5.625 -4.685 -14.182 1.00 0.00 C ATOM 96 CD GLN A 412 -5.018 -4.245 -12.838 1.00 0.00 C ATOM 97 OE1 GLN A 412 -4.118 -3.429 -12.812 1.00 0.00 O ATOM 98 NE2 GLN A 412 -5.469 -4.748 -11.710 1.00 0.00 N ATOM 0 H GLN A 412 -7.817 -5.523 -13.227 1.00 0.00 H new ATOM 0 HA GLN A 412 -7.136 -6.426 -15.855 1.00 0.00 H new ATOM 0 HB2 GLN A 412 -5.498 -6.634 -13.258 1.00 0.00 H new ATOM 0 HB3 GLN A 412 -4.841 -6.573 -14.881 1.00 0.00 H new ATOM 0 HG2 GLN A 412 -5.036 -4.285 -15.007 1.00 0.00 H new ATOM 0 HG3 GLN A 412 -6.633 -4.284 -14.286 1.00 0.00 H new ATOM 0 HE21 GLN A 412 -6.224 -5.433 -11.723 1.00 0.00 H new ATOM 0 HE22 GLN A 412 -5.064 -4.453 -10.822 1.00 0.00 H new ATOM 107 N ASP A 413 -7.508 -8.831 -13.634 1.00 0.00 N ATOM 108 CA ASP A 413 -7.505 -10.319 -13.480 1.00 0.00 C ATOM 109 C ASP A 413 -6.056 -10.839 -13.529 1.00 0.00 C ATOM 110 O ASP A 413 -5.793 -11.905 -14.053 1.00 0.00 O ATOM 111 CB ASP A 413 -8.331 -10.878 -14.649 1.00 0.00 C ATOM 112 CG ASP A 413 -9.258 -11.987 -14.143 1.00 0.00 C ATOM 113 OD1 ASP A 413 -10.031 -11.718 -13.238 1.00 0.00 O ATOM 114 OD2 ASP A 413 -9.179 -13.084 -14.669 1.00 0.00 O ATOM 0 H ASP A 413 -7.911 -8.319 -12.849 1.00 0.00 H new ATOM 0 HA ASP A 413 -7.932 -10.631 -12.527 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -8.918 -10.081 -15.106 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -7.668 -11.269 -15.421 1.00 0.00 H new ATOM 119 N GLU A 414 -5.113 -10.091 -12.984 1.00 0.00 N ATOM 120 CA GLU A 414 -3.686 -10.544 -13.002 1.00 0.00 C ATOM 121 C GLU A 414 -2.878 -9.823 -11.909 1.00 0.00 C ATOM 122 O GLU A 414 -1.746 -9.434 -12.127 1.00 0.00 O ATOM 123 CB GLU A 414 -3.170 -10.164 -14.391 1.00 0.00 C ATOM 124 CG GLU A 414 -2.316 -11.302 -14.949 1.00 0.00 C ATOM 125 CD GLU A 414 -1.827 -10.935 -16.351 1.00 0.00 C ATOM 126 OE1 GLU A 414 -1.413 -9.803 -16.534 1.00 0.00 O ATOM 127 OE2 GLU A 414 -1.875 -11.793 -17.216 1.00 0.00 O ATOM 0 H GLU A 414 -5.275 -9.192 -12.531 1.00 0.00 H new ATOM 0 HA GLU A 414 -3.591 -11.612 -12.808 1.00 0.00 H new ATOM 0 HB2 GLU A 414 -4.008 -9.963 -15.059 1.00 0.00 H new ATOM 0 HB3 GLU A 414 -2.581 -9.248 -14.334 1.00 0.00 H new ATOM 0 HG2 GLU A 414 -1.466 -11.488 -14.293 1.00 0.00 H new ATOM 0 HG3 GLU A 414 -2.898 -12.223 -14.985 1.00 0.00 H new ATOM 134 N THR A 415 -3.450 -9.645 -10.736 1.00 0.00 N ATOM 135 CA THR A 415 -2.705 -8.952 -9.640 1.00 0.00 C ATOM 136 C THR A 415 -2.096 -9.989 -8.689 1.00 0.00 C ATOM 137 O THR A 415 -2.539 -10.141 -7.565 1.00 0.00 O ATOM 138 CB THR A 415 -3.746 -8.091 -8.918 1.00 0.00 C ATOM 139 OG1 THR A 415 -5.037 -8.659 -9.096 1.00 0.00 O ATOM 140 CG2 THR A 415 -3.719 -6.685 -9.505 1.00 0.00 C ATOM 0 H THR A 415 -4.394 -9.949 -10.496 1.00 0.00 H new ATOM 0 HA THR A 415 -1.883 -8.344 -10.018 1.00 0.00 H new ATOM 0 HB THR A 415 -3.517 -8.049 -7.853 1.00 0.00 H new ATOM 0 HG1 THR A 415 -5.703 -8.109 -8.633 1.00 0.00 H new ATOM 0 HG21 THR A 415 -4.457 -6.064 -8.997 1.00 0.00 H new ATOM 0 HG22 THR A 415 -2.727 -6.253 -9.370 1.00 0.00 H new ATOM 0 HG23 THR A 415 -3.953 -6.730 -10.569 1.00 0.00 H new ATOM 148 N ASP A 416 -1.089 -10.713 -9.131 1.00 0.00 N ATOM 149 CA ASP A 416 -0.468 -11.745 -8.244 1.00 0.00 C ATOM 150 C ASP A 416 0.988 -11.403 -7.860 1.00 0.00 C ATOM 151 O ASP A 416 1.643 -12.203 -7.217 1.00 0.00 O ATOM 152 CB ASP A 416 -0.497 -13.036 -9.065 1.00 0.00 C ATOM 153 CG ASP A 416 -0.786 -14.224 -8.146 1.00 0.00 C ATOM 154 OD1 ASP A 416 -0.040 -14.411 -7.198 1.00 0.00 O ATOM 155 OD2 ASP A 416 -1.746 -14.931 -8.406 1.00 0.00 O ATOM 0 H ASP A 416 -0.676 -10.632 -10.060 1.00 0.00 H new ATOM 0 HA ASP A 416 -1.012 -11.817 -7.302 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -1.261 -12.969 -9.840 1.00 0.00 H new ATOM 0 HB3 ASP A 416 0.458 -13.179 -9.571 1.00 0.00 H new ATOM 160 N ASP A 417 1.519 -10.251 -8.235 1.00 0.00 N ATOM 161 CA ASP A 417 2.938 -9.940 -7.860 1.00 0.00 C ATOM 162 C ASP A 417 3.002 -8.877 -6.753 1.00 0.00 C ATOM 163 O ASP A 417 3.975 -8.149 -6.658 1.00 0.00 O ATOM 164 CB ASP A 417 3.593 -9.408 -9.139 1.00 0.00 C ATOM 165 CG ASP A 417 5.101 -9.654 -9.081 1.00 0.00 C ATOM 166 OD1 ASP A 417 5.740 -9.091 -8.209 1.00 0.00 O ATOM 167 OD2 ASP A 417 5.591 -10.401 -9.912 1.00 0.00 O ATOM 0 H ASP A 417 1.038 -9.530 -8.773 1.00 0.00 H new ATOM 0 HA ASP A 417 3.445 -10.824 -7.473 1.00 0.00 H new ATOM 0 HB2 ASP A 417 3.167 -9.903 -10.011 1.00 0.00 H new ATOM 0 HB3 ASP A 417 3.392 -8.342 -9.247 1.00 0.00 H new ATOM 172 N ARG A 418 1.993 -8.769 -5.909 1.00 0.00 N ATOM 173 CA ARG A 418 2.052 -7.743 -4.825 1.00 0.00 C ATOM 174 C ARG A 418 2.289 -8.421 -3.462 1.00 0.00 C ATOM 175 O ARG A 418 1.677 -9.430 -3.172 1.00 0.00 O ATOM 176 CB ARG A 418 0.697 -7.040 -4.848 1.00 0.00 C ATOM 177 CG ARG A 418 0.511 -6.343 -6.195 1.00 0.00 C ATOM 178 CD ARG A 418 1.063 -4.921 -6.106 1.00 0.00 C ATOM 179 NE ARG A 418 0.875 -4.344 -7.471 1.00 0.00 N ATOM 180 CZ ARG A 418 -0.311 -3.918 -7.881 1.00 0.00 C ATOM 181 NH1 ARG A 418 -1.373 -4.004 -7.114 1.00 0.00 N ATOM 182 NH2 ARG A 418 -0.434 -3.405 -9.078 1.00 0.00 N ATOM 0 H ARG A 418 1.148 -9.340 -5.928 1.00 0.00 H new ATOM 0 HA ARG A 418 2.870 -7.038 -4.977 1.00 0.00 H new ATOM 0 HB2 ARG A 418 -0.103 -7.763 -4.686 1.00 0.00 H new ATOM 0 HB3 ARG A 418 0.638 -6.313 -4.038 1.00 0.00 H new ATOM 0 HG2 ARG A 418 1.027 -6.898 -6.979 1.00 0.00 H new ATOM 0 HG3 ARG A 418 -0.545 -6.320 -6.463 1.00 0.00 H new ATOM 0 HD2 ARG A 418 0.530 -4.338 -5.355 1.00 0.00 H new ATOM 0 HD3 ARG A 418 2.115 -4.924 -5.821 1.00 0.00 H new ATOM 0 HE ARG A 418 1.675 -4.277 -8.100 1.00 0.00 H new ATOM 0 HH11 ARG A 418 -1.296 -4.406 -6.180 1.00 0.00 H new ATOM 0 HH12 ARG A 418 -2.275 -3.669 -7.452 1.00 0.00 H new ATOM 0 HH21 ARG A 418 0.380 -3.335 -9.689 1.00 0.00 H new ATOM 0 HH22 ARG A 418 -1.344 -3.075 -9.400 1.00 0.00 H new ATOM 196 N PRO A 419 3.172 -7.855 -2.664 1.00 0.00 N ATOM 197 CA PRO A 419 3.469 -8.445 -1.338 1.00 0.00 C ATOM 198 C PRO A 419 2.333 -8.151 -0.329 1.00 0.00 C ATOM 199 O PRO A 419 1.416 -8.938 -0.214 1.00 0.00 O ATOM 200 CB PRO A 419 4.801 -7.801 -0.947 1.00 0.00 C ATOM 201 CG PRO A 419 4.863 -6.512 -1.708 1.00 0.00 C ATOM 202 CD PRO A 419 3.962 -6.642 -2.911 1.00 0.00 C ATOM 0 HA PRO A 419 3.538 -9.533 -1.351 1.00 0.00 H new ATOM 0 HB2 PRO A 419 4.851 -7.625 0.128 1.00 0.00 H new ATOM 0 HB3 PRO A 419 5.640 -8.448 -1.203 1.00 0.00 H new ATOM 0 HG2 PRO A 419 4.543 -5.681 -1.079 1.00 0.00 H new ATOM 0 HG3 PRO A 419 5.886 -6.301 -2.018 1.00 0.00 H new ATOM 0 HD2 PRO A 419 3.320 -5.768 -3.020 1.00 0.00 H new ATOM 0 HD3 PRO A 419 4.541 -6.728 -3.830 1.00 0.00 H new ATOM 210 N GLU A 420 2.358 -7.038 0.397 1.00 0.00 N ATOM 211 CA GLU A 420 1.257 -6.725 1.391 1.00 0.00 C ATOM 212 C GLU A 420 1.629 -5.462 2.197 1.00 0.00 C ATOM 213 O GLU A 420 2.479 -5.516 3.065 1.00 0.00 O ATOM 214 CB GLU A 420 1.153 -7.929 2.356 1.00 0.00 C ATOM 215 CG GLU A 420 2.532 -8.277 2.936 1.00 0.00 C ATOM 216 CD GLU A 420 2.650 -9.794 3.097 1.00 0.00 C ATOM 217 OE1 GLU A 420 2.226 -10.296 4.125 1.00 0.00 O ATOM 218 OE2 GLU A 420 3.162 -10.428 2.190 1.00 0.00 O ATOM 0 H GLU A 420 3.094 -6.334 0.342 1.00 0.00 H new ATOM 0 HA GLU A 420 0.312 -6.550 0.876 1.00 0.00 H new ATOM 0 HB2 GLU A 420 0.461 -7.695 3.165 1.00 0.00 H new ATOM 0 HB3 GLU A 420 0.746 -8.791 1.828 1.00 0.00 H new ATOM 0 HG2 GLU A 420 3.319 -7.908 2.278 1.00 0.00 H new ATOM 0 HG3 GLU A 420 2.667 -7.787 3.900 1.00 0.00 H new ATOM 225 N CYS A 421 1.015 -4.324 1.922 1.00 0.00 N ATOM 226 CA CYS A 421 1.373 -3.070 2.694 1.00 0.00 C ATOM 227 C CYS A 421 1.298 -3.318 4.217 1.00 0.00 C ATOM 228 O CYS A 421 0.373 -3.951 4.685 1.00 0.00 O ATOM 229 CB CYS A 421 0.339 -2.004 2.287 1.00 0.00 C ATOM 230 SG CYS A 421 0.710 -0.428 3.105 1.00 0.00 S ATOM 0 H CYS A 421 0.294 -4.207 1.210 1.00 0.00 H new ATOM 0 HA CYS A 421 2.392 -2.755 2.468 1.00 0.00 H new ATOM 0 HB2 CYS A 421 0.349 -1.872 1.205 1.00 0.00 H new ATOM 0 HB3 CYS A 421 -0.663 -2.336 2.559 1.00 0.00 H new ATOM 235 N PRO A 422 2.265 -2.798 4.952 1.00 0.00 N ATOM 236 CA PRO A 422 2.266 -2.970 6.428 1.00 0.00 C ATOM 237 C PRO A 422 1.130 -2.151 7.068 1.00 0.00 C ATOM 238 O PRO A 422 0.513 -2.589 8.021 1.00 0.00 O ATOM 239 CB PRO A 422 3.629 -2.434 6.858 1.00 0.00 C ATOM 240 CG PRO A 422 4.017 -1.479 5.778 1.00 0.00 C ATOM 241 CD PRO A 422 3.434 -2.017 4.501 1.00 0.00 C ATOM 0 HA PRO A 422 2.106 -4.004 6.734 1.00 0.00 H new ATOM 0 HB2 PRO A 422 3.571 -1.936 7.826 1.00 0.00 H new ATOM 0 HB3 PRO A 422 4.358 -3.238 6.956 1.00 0.00 H new ATOM 0 HG2 PRO A 422 3.635 -0.480 5.988 1.00 0.00 H new ATOM 0 HG3 PRO A 422 5.101 -1.396 5.705 1.00 0.00 H new ATOM 0 HD2 PRO A 422 3.142 -1.214 3.824 1.00 0.00 H new ATOM 0 HD3 PRO A 422 4.150 -2.641 3.965 1.00 0.00 H new ATOM 249 N TYR A 423 0.832 -0.973 6.547 1.00 0.00 N ATOM 250 CA TYR A 423 -0.292 -0.156 7.142 1.00 0.00 C ATOM 251 C TYR A 423 -1.612 -0.942 7.060 1.00 0.00 C ATOM 252 O TYR A 423 -2.333 -1.048 8.035 1.00 0.00 O ATOM 253 CB TYR A 423 -0.392 1.137 6.304 1.00 0.00 C ATOM 254 CG TYR A 423 0.893 1.920 6.418 1.00 0.00 C ATOM 255 CD1 TYR A 423 1.483 2.139 7.698 1.00 0.00 C ATOM 256 CD2 TYR A 423 1.504 2.458 5.249 1.00 0.00 C ATOM 257 CE1 TYR A 423 2.684 2.885 7.810 1.00 0.00 C ATOM 258 CE2 TYR A 423 2.708 3.205 5.368 1.00 0.00 C ATOM 259 CZ TYR A 423 3.297 3.414 6.648 1.00 0.00 C ATOM 260 OH TYR A 423 4.465 4.131 6.767 1.00 0.00 O ATOM 0 H TYR A 423 1.308 -0.548 5.751 1.00 0.00 H new ATOM 0 HA TYR A 423 -0.102 0.071 8.191 1.00 0.00 H new ATOM 0 HB2 TYR A 423 -0.587 0.891 5.260 1.00 0.00 H new ATOM 0 HB3 TYR A 423 -1.230 1.742 6.651 1.00 0.00 H new ATOM 0 HD1 TYR A 423 1.014 1.736 8.584 1.00 0.00 H new ATOM 0 HD2 TYR A 423 1.056 2.300 4.279 1.00 0.00 H new ATOM 0 HE1 TYR A 423 3.130 3.049 8.780 1.00 0.00 H new ATOM 0 HE2 TYR A 423 3.177 3.615 4.486 1.00 0.00 H new ATOM 0 HH TYR A 423 4.560 4.732 5.999 1.00 0.00 H new ATOM 270 N GLY A 424 -1.927 -1.510 5.912 1.00 0.00 N ATOM 271 CA GLY A 424 -3.189 -2.303 5.791 1.00 0.00 C ATOM 272 C GLY A 424 -4.374 -1.383 5.432 1.00 0.00 C ATOM 273 O GLY A 424 -4.247 -0.534 4.573 1.00 0.00 O ATOM 0 H GLY A 424 -1.365 -1.456 5.062 1.00 0.00 H new ATOM 0 HA2 GLY A 424 -3.071 -3.070 5.025 1.00 0.00 H new ATOM 0 HA3 GLY A 424 -3.393 -2.819 6.730 1.00 0.00 H new ATOM 277 N PRO A 425 -5.504 -1.587 6.090 1.00 0.00 N ATOM 278 CA PRO A 425 -6.715 -0.762 5.805 1.00 0.00 C ATOM 279 C PRO A 425 -6.530 0.707 6.236 1.00 0.00 C ATOM 280 O PRO A 425 -7.125 1.594 5.654 1.00 0.00 O ATOM 281 CB PRO A 425 -7.812 -1.437 6.628 1.00 0.00 C ATOM 282 CG PRO A 425 -7.087 -2.143 7.725 1.00 0.00 C ATOM 283 CD PRO A 425 -5.769 -2.581 7.148 1.00 0.00 C ATOM 0 HA PRO A 425 -6.941 -0.718 4.739 1.00 0.00 H new ATOM 0 HB2 PRO A 425 -8.515 -0.705 7.026 1.00 0.00 H new ATOM 0 HB3 PRO A 425 -8.388 -2.136 6.021 1.00 0.00 H new ATOM 0 HG2 PRO A 425 -6.937 -1.483 8.579 1.00 0.00 H new ATOM 0 HG3 PRO A 425 -7.659 -3.000 8.081 1.00 0.00 H new ATOM 0 HD2 PRO A 425 -4.982 -2.583 7.902 1.00 0.00 H new ATOM 0 HD3 PRO A 425 -5.825 -3.592 6.743 1.00 0.00 H new ATOM 291 N SER A 426 -5.721 0.981 7.243 1.00 0.00 N ATOM 292 CA SER A 426 -5.531 2.409 7.683 1.00 0.00 C ATOM 293 C SER A 426 -4.308 3.032 6.988 1.00 0.00 C ATOM 294 O SER A 426 -3.476 3.648 7.627 1.00 0.00 O ATOM 295 CB SER A 426 -5.306 2.355 9.201 1.00 0.00 C ATOM 296 OG SER A 426 -3.964 1.967 9.460 1.00 0.00 O ATOM 0 H SER A 426 -5.192 0.288 7.772 1.00 0.00 H new ATOM 0 HA SER A 426 -6.395 3.021 7.424 1.00 0.00 H new ATOM 0 HB2 SER A 426 -5.508 3.329 9.646 1.00 0.00 H new ATOM 0 HB3 SER A 426 -5.997 1.647 9.658 1.00 0.00 H new ATOM 0 HG SER A 426 -3.354 2.663 9.136 1.00 0.00 H new ATOM 302 N CYS A 427 -4.182 2.870 5.685 1.00 0.00 N ATOM 303 CA CYS A 427 -2.998 3.447 4.969 1.00 0.00 C ATOM 304 C CYS A 427 -3.248 4.914 4.573 1.00 0.00 C ATOM 305 O CYS A 427 -3.828 5.194 3.541 1.00 0.00 O ATOM 306 CB CYS A 427 -2.795 2.592 3.713 1.00 0.00 C ATOM 307 SG CYS A 427 -1.182 2.974 3.001 1.00 0.00 S ATOM 0 H CYS A 427 -4.844 2.367 5.094 1.00 0.00 H new ATOM 0 HA CYS A 427 -2.118 3.436 5.612 1.00 0.00 H new ATOM 0 HB2 CYS A 427 -2.855 1.533 3.964 1.00 0.00 H new ATOM 0 HB3 CYS A 427 -3.584 2.793 2.988 1.00 0.00 H new ATOM 312 N TYR A 428 -2.783 5.849 5.373 1.00 0.00 N ATOM 313 CA TYR A 428 -2.960 7.309 5.028 1.00 0.00 C ATOM 314 C TYR A 428 -2.061 7.716 3.820 1.00 0.00 C ATOM 315 O TYR A 428 -2.232 8.792 3.276 1.00 0.00 O ATOM 316 CB TYR A 428 -2.593 8.124 6.327 1.00 0.00 C ATOM 317 CG TYR A 428 -1.317 8.942 6.135 1.00 0.00 C ATOM 318 CD1 TYR A 428 -1.381 10.181 5.437 1.00 0.00 C ATOM 319 CD2 TYR A 428 -0.057 8.458 6.600 1.00 0.00 C ATOM 320 CE1 TYR A 428 -0.199 10.929 5.199 1.00 0.00 C ATOM 321 CE2 TYR A 428 1.115 9.213 6.367 1.00 0.00 C ATOM 322 CZ TYR A 428 1.052 10.444 5.664 1.00 0.00 C ATOM 323 OH TYR A 428 2.208 11.164 5.427 1.00 0.00 O ATOM 0 H TYR A 428 -2.290 5.670 6.248 1.00 0.00 H new ATOM 0 HA TYR A 428 -3.985 7.518 4.721 1.00 0.00 H new ATOM 0 HB2 TYR A 428 -3.417 8.789 6.585 1.00 0.00 H new ATOM 0 HB3 TYR A 428 -2.464 7.437 7.164 1.00 0.00 H new ATOM 0 HD1 TYR A 428 -2.333 10.553 5.087 1.00 0.00 H new ATOM 0 HD2 TYR A 428 0.001 7.518 7.128 1.00 0.00 H new ATOM 0 HE1 TYR A 428 -0.251 11.866 4.665 1.00 0.00 H new ATOM 0 HE2 TYR A 428 2.066 8.850 6.727 1.00 0.00 H new ATOM 0 HH TYR A 428 2.967 10.549 5.351 1.00 0.00 H new ATOM 333 N ARG A 429 -1.115 6.890 3.394 1.00 0.00 N ATOM 334 CA ARG A 429 -0.248 7.305 2.237 1.00 0.00 C ATOM 335 C ARG A 429 -0.860 6.858 0.903 1.00 0.00 C ATOM 336 O ARG A 429 -1.325 5.742 0.762 1.00 0.00 O ATOM 337 CB ARG A 429 1.148 6.685 2.462 1.00 0.00 C ATOM 338 CG ARG A 429 1.095 5.153 2.453 1.00 0.00 C ATOM 339 CD ARG A 429 2.516 4.597 2.272 1.00 0.00 C ATOM 340 NE ARG A 429 3.009 5.087 0.934 1.00 0.00 N ATOM 341 CZ ARG A 429 4.307 5.147 0.668 1.00 0.00 C ATOM 342 NH1 ARG A 429 5.206 4.744 1.537 1.00 0.00 N ATOM 343 NH2 ARG A 429 4.709 5.602 -0.490 1.00 0.00 N ATOM 0 H ARG A 429 -0.914 5.971 3.789 1.00 0.00 H new ATOM 0 HA ARG A 429 -0.168 8.391 2.186 1.00 0.00 H new ATOM 0 HB2 ARG A 429 1.829 7.030 1.684 1.00 0.00 H new ATOM 0 HB3 ARG A 429 1.550 7.030 3.415 1.00 0.00 H new ATOM 0 HG2 ARG A 429 0.665 4.787 3.385 1.00 0.00 H new ATOM 0 HG3 ARG A 429 0.450 4.805 1.646 1.00 0.00 H new ATOM 0 HD2 ARG A 429 3.170 4.939 3.074 1.00 0.00 H new ATOM 0 HD3 ARG A 429 2.512 3.508 2.307 1.00 0.00 H new ATOM 0 HE ARG A 429 2.336 5.376 0.224 1.00 0.00 H new ATOM 0 HH11 ARG A 429 4.912 4.374 2.441 1.00 0.00 H new ATOM 0 HH12 ARG A 429 6.198 4.801 1.308 1.00 0.00 H new ATOM 0 HH21 ARG A 429 4.026 5.908 -1.183 1.00 0.00 H new ATOM 0 HH22 ARG A 429 5.706 5.651 -0.701 1.00 0.00 H new ATOM 357 N LYS A 430 -0.877 7.740 -0.078 1.00 0.00 N ATOM 358 CA LYS A 430 -1.468 7.387 -1.397 1.00 0.00 C ATOM 359 C LYS A 430 -0.524 7.823 -2.530 1.00 0.00 C ATOM 360 O LYS A 430 -0.701 8.872 -3.120 1.00 0.00 O ATOM 361 CB LYS A 430 -2.787 8.167 -1.453 1.00 0.00 C ATOM 362 CG LYS A 430 -3.895 7.261 -1.992 1.00 0.00 C ATOM 363 CD LYS A 430 -5.248 7.755 -1.481 1.00 0.00 C ATOM 364 CE LYS A 430 -6.363 6.903 -2.091 1.00 0.00 C ATOM 365 NZ LYS A 430 -7.363 6.740 -0.998 1.00 0.00 N ATOM 0 H LYS A 430 -0.504 8.687 -0.012 1.00 0.00 H new ATOM 0 HA LYS A 430 -1.625 6.315 -1.515 1.00 0.00 H new ATOM 0 HB2 LYS A 430 -3.050 8.529 -0.459 1.00 0.00 H new ATOM 0 HB3 LYS A 430 -2.676 9.043 -2.092 1.00 0.00 H new ATOM 0 HG2 LYS A 430 -3.883 7.262 -3.082 1.00 0.00 H new ATOM 0 HG3 LYS A 430 -3.727 6.233 -1.673 1.00 0.00 H new ATOM 0 HD2 LYS A 430 -5.283 7.694 -0.393 1.00 0.00 H new ATOM 0 HD3 LYS A 430 -5.389 8.803 -1.747 1.00 0.00 H new ATOM 0 HE2 LYS A 430 -6.804 7.392 -2.960 1.00 0.00 H new ATOM 0 HE3 LYS A 430 -5.984 5.938 -2.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 430 -8.160 6.166 -1.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 430 -6.917 6.266 -0.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 430 -7.711 7.675 -0.704 1.00 0.00 H new ATOM 379 N ASN A 431 0.473 7.023 -2.841 1.00 0.00 N ATOM 380 CA ASN A 431 1.416 7.394 -3.940 1.00 0.00 C ATOM 381 C ASN A 431 1.163 6.494 -5.157 1.00 0.00 C ATOM 382 O ASN A 431 0.430 5.530 -5.058 1.00 0.00 O ATOM 383 CB ASN A 431 2.821 7.149 -3.377 1.00 0.00 C ATOM 384 CG ASN A 431 3.395 8.459 -2.822 1.00 0.00 C ATOM 385 OD1 ASN A 431 2.669 9.263 -2.269 1.00 0.00 O ATOM 386 ND2 ASN A 431 4.676 8.716 -2.942 1.00 0.00 N ATOM 0 H ASN A 431 0.671 6.134 -2.381 1.00 0.00 H new ATOM 0 HA ASN A 431 1.291 8.428 -4.262 1.00 0.00 H new ATOM 0 HB2 ASN A 431 2.781 6.397 -2.589 1.00 0.00 H new ATOM 0 HB3 ASN A 431 3.473 6.758 -4.158 1.00 0.00 H new ATOM 0 HD21 ASN A 431 5.058 9.586 -2.572 1.00 0.00 H new ATOM 0 HD22 ASN A 431 5.290 8.045 -3.405 1.00 0.00 H new ATOM 393 N PRO A 432 1.777 6.826 -6.271 1.00 0.00 N ATOM 394 CA PRO A 432 1.591 6.009 -7.492 1.00 0.00 C ATOM 395 C PRO A 432 2.319 4.661 -7.343 1.00 0.00 C ATOM 396 O PRO A 432 1.752 3.619 -7.611 1.00 0.00 O ATOM 397 CB PRO A 432 2.206 6.862 -8.598 1.00 0.00 C ATOM 398 CG PRO A 432 3.186 7.757 -7.909 1.00 0.00 C ATOM 399 CD PRO A 432 2.686 7.963 -6.502 1.00 0.00 C ATOM 0 HA PRO A 432 0.549 5.765 -7.697 1.00 0.00 H new ATOM 0 HB2 PRO A 432 2.699 6.241 -9.345 1.00 0.00 H new ATOM 0 HB3 PRO A 432 1.443 7.441 -9.118 1.00 0.00 H new ATOM 0 HG2 PRO A 432 4.179 7.308 -7.903 1.00 0.00 H new ATOM 0 HG3 PRO A 432 3.270 8.710 -8.431 1.00 0.00 H new ATOM 0 HD2 PRO A 432 3.507 7.969 -5.785 1.00 0.00 H new ATOM 0 HD3 PRO A 432 2.166 8.916 -6.400 1.00 0.00 H new ATOM 407 N GLN A 433 3.569 4.670 -6.923 1.00 0.00 N ATOM 408 CA GLN A 433 4.319 3.384 -6.768 1.00 0.00 C ATOM 409 C GLN A 433 3.917 2.624 -5.478 1.00 0.00 C ATOM 410 O GLN A 433 4.228 1.454 -5.342 1.00 0.00 O ATOM 411 CB GLN A 433 5.824 3.748 -6.777 1.00 0.00 C ATOM 412 CG GLN A 433 6.235 4.494 -5.492 1.00 0.00 C ATOM 413 CD GLN A 433 6.399 3.502 -4.337 1.00 0.00 C ATOM 414 OE1 GLN A 433 5.852 3.709 -3.272 1.00 0.00 O ATOM 415 NE2 GLN A 433 7.125 2.428 -4.490 1.00 0.00 N ATOM 0 H GLN A 433 4.095 5.510 -6.683 1.00 0.00 H new ATOM 0 HA GLN A 433 4.080 2.702 -7.584 1.00 0.00 H new ATOM 0 HB2 GLN A 433 6.418 2.840 -6.877 1.00 0.00 H new ATOM 0 HB3 GLN A 433 6.043 4.369 -7.645 1.00 0.00 H new ATOM 0 HG2 GLN A 433 7.170 5.030 -5.657 1.00 0.00 H new ATOM 0 HG3 GLN A 433 5.481 5.239 -5.238 1.00 0.00 H new ATOM 0 HE21 GLN A 433 7.587 2.248 -5.381 1.00 0.00 H new ATOM 0 HE22 GLN A 433 7.230 1.769 -3.718 1.00 0.00 H new ATOM 424 N HIS A 434 3.238 3.256 -4.529 1.00 0.00 N ATOM 425 CA HIS A 434 2.850 2.513 -3.273 1.00 0.00 C ATOM 426 C HIS A 434 1.656 1.567 -3.535 1.00 0.00 C ATOM 427 O HIS A 434 1.536 0.545 -2.886 1.00 0.00 O ATOM 428 CB HIS A 434 2.485 3.565 -2.208 1.00 0.00 C ATOM 429 CG HIS A 434 2.115 2.854 -0.929 1.00 0.00 C ATOM 430 ND1 HIS A 434 3.031 2.095 -0.207 1.00 0.00 N ATOM 431 CD2 HIS A 434 0.917 2.704 -0.283 1.00 0.00 C ATOM 432 CE1 HIS A 434 2.360 1.519 0.810 1.00 0.00 C ATOM 433 NE2 HIS A 434 1.074 1.860 0.796 1.00 0.00 N ATOM 0 H HIS A 434 2.943 4.232 -4.570 1.00 0.00 H new ATOM 0 HA HIS A 434 3.679 1.893 -2.931 1.00 0.00 H new ATOM 0 HB2 HIS A 434 3.326 4.236 -2.037 1.00 0.00 H new ATOM 0 HB3 HIS A 434 1.653 4.179 -2.553 1.00 0.00 H new ATOM 0 HD1 HIS A 434 4.025 1.993 -0.410 1.00 0.00 H new ATOM 0 HD2 HIS A 434 -0.010 3.175 -0.574 1.00 0.00 H new ATOM 0 HE1 HIS A 434 2.809 0.864 1.543 1.00 0.00 H new ATOM 441 N LYS A 435 0.805 1.856 -4.503 1.00 0.00 N ATOM 442 CA LYS A 435 -0.329 0.907 -4.803 1.00 0.00 C ATOM 443 C LYS A 435 0.200 -0.266 -5.670 1.00 0.00 C ATOM 444 O LYS A 435 -0.390 -1.329 -5.706 1.00 0.00 O ATOM 445 CB LYS A 435 -1.392 1.720 -5.568 1.00 0.00 C ATOM 446 CG LYS A 435 -2.380 2.350 -4.572 1.00 0.00 C ATOM 447 CD LYS A 435 -2.480 3.860 -4.814 1.00 0.00 C ATOM 448 CE LYS A 435 -2.833 4.567 -3.501 1.00 0.00 C ATOM 449 NZ LYS A 435 -4.269 4.247 -3.267 1.00 0.00 N ATOM 0 H LYS A 435 0.844 2.691 -5.088 1.00 0.00 H new ATOM 0 HA LYS A 435 -0.756 0.482 -3.895 1.00 0.00 H new ATOM 0 HB2 LYS A 435 -0.911 2.499 -6.160 1.00 0.00 H new ATOM 0 HB3 LYS A 435 -1.926 1.074 -6.265 1.00 0.00 H new ATOM 0 HG2 LYS A 435 -3.362 1.890 -4.682 1.00 0.00 H new ATOM 0 HG3 LYS A 435 -2.051 2.158 -3.551 1.00 0.00 H new ATOM 0 HD2 LYS A 435 -1.535 4.240 -5.201 1.00 0.00 H new ATOM 0 HD3 LYS A 435 -3.240 4.069 -5.567 1.00 0.00 H new ATOM 0 HE2 LYS A 435 -2.210 4.211 -2.681 1.00 0.00 H new ATOM 0 HE3 LYS A 435 -2.675 5.643 -3.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 435 -4.510 4.439 -2.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 435 -4.861 4.835 -3.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 435 -4.439 3.243 -3.476 1.00 0.00 H new ATOM 463 N ILE A 436 1.335 -0.089 -6.333 1.00 0.00 N ATOM 464 CA ILE A 436 1.917 -1.213 -7.150 1.00 0.00 C ATOM 465 C ILE A 436 2.996 -1.972 -6.335 1.00 0.00 C ATOM 466 O ILE A 436 3.218 -3.145 -6.570 1.00 0.00 O ATOM 467 CB ILE A 436 2.469 -0.623 -8.503 1.00 0.00 C ATOM 468 CG1 ILE A 436 3.579 -1.536 -9.100 1.00 0.00 C ATOM 469 CG2 ILE A 436 3.008 0.807 -8.359 1.00 0.00 C ATOM 470 CD1 ILE A 436 4.950 -1.246 -8.453 1.00 0.00 C ATOM 0 H ILE A 436 1.874 0.777 -6.341 1.00 0.00 H new ATOM 0 HA ILE A 436 1.149 -1.947 -7.394 1.00 0.00 H new ATOM 0 HB ILE A 436 1.617 -0.588 -9.182 1.00 0.00 H new ATOM 0 HG12 ILE A 436 3.315 -2.582 -8.945 1.00 0.00 H new ATOM 0 HG13 ILE A 436 3.642 -1.379 -10.177 1.00 0.00 H new ATOM 0 HG21 ILE A 436 3.373 1.157 -9.324 1.00 0.00 H new ATOM 0 HG22 ILE A 436 2.210 1.464 -8.013 1.00 0.00 H new ATOM 0 HG23 ILE A 436 3.824 0.817 -7.637 1.00 0.00 H new ATOM 0 HD11 ILE A 436 5.705 -1.900 -8.891 1.00 0.00 H new ATOM 0 HD12 ILE A 436 5.223 -0.206 -8.631 1.00 0.00 H new ATOM 0 HD13 ILE A 436 4.892 -1.427 -7.380 1.00 0.00 H new ATOM 482 N GLU A 437 3.667 -1.336 -5.390 1.00 0.00 N ATOM 483 CA GLU A 437 4.719 -2.080 -4.601 1.00 0.00 C ATOM 484 C GLU A 437 4.076 -2.935 -3.501 1.00 0.00 C ATOM 485 O GLU A 437 4.566 -4.003 -3.199 1.00 0.00 O ATOM 486 CB GLU A 437 5.650 -1.027 -3.971 1.00 0.00 C ATOM 487 CG GLU A 437 6.948 -0.935 -4.782 1.00 0.00 C ATOM 488 CD GLU A 437 8.137 -0.784 -3.832 1.00 0.00 C ATOM 489 OE1 GLU A 437 8.065 0.060 -2.954 1.00 0.00 O ATOM 490 OE2 GLU A 437 9.098 -1.518 -3.996 1.00 0.00 O ATOM 0 H GLU A 437 3.537 -0.357 -5.135 1.00 0.00 H new ATOM 0 HA GLU A 437 5.274 -2.752 -5.256 1.00 0.00 H new ATOM 0 HB2 GLU A 437 5.154 -0.056 -3.948 1.00 0.00 H new ATOM 0 HB3 GLU A 437 5.873 -1.296 -2.938 1.00 0.00 H new ATOM 0 HG2 GLU A 437 7.070 -1.828 -5.394 1.00 0.00 H new ATOM 0 HG3 GLU A 437 6.904 -0.085 -5.463 1.00 0.00 H new ATOM 497 N TYR A 438 3.004 -2.478 -2.883 1.00 0.00 N ATOM 498 CA TYR A 438 2.366 -3.282 -1.799 1.00 0.00 C ATOM 499 C TYR A 438 0.846 -3.382 -2.029 1.00 0.00 C ATOM 500 O TYR A 438 0.258 -2.524 -2.662 1.00 0.00 O ATOM 501 CB TYR A 438 2.659 -2.497 -0.517 1.00 0.00 C ATOM 502 CG TYR A 438 4.145 -2.502 -0.235 1.00 0.00 C ATOM 503 CD1 TYR A 438 4.760 -3.663 0.306 1.00 0.00 C ATOM 504 CD2 TYR A 438 4.929 -1.347 -0.508 1.00 0.00 C ATOM 505 CE1 TYR A 438 6.154 -3.671 0.575 1.00 0.00 C ATOM 506 CE2 TYR A 438 6.326 -1.355 -0.240 1.00 0.00 C ATOM 507 CZ TYR A 438 6.938 -2.517 0.301 1.00 0.00 C ATOM 508 OH TYR A 438 8.293 -2.528 0.560 1.00 0.00 O ATOM 0 H TYR A 438 2.551 -1.587 -3.086 1.00 0.00 H new ATOM 0 HA TYR A 438 2.747 -4.303 -1.759 1.00 0.00 H new ATOM 0 HB2 TYR A 438 2.303 -1.472 -0.619 1.00 0.00 H new ATOM 0 HB3 TYR A 438 2.120 -2.939 0.321 1.00 0.00 H new ATOM 0 HD1 TYR A 438 4.166 -4.541 0.513 1.00 0.00 H new ATOM 0 HD2 TYR A 438 4.463 -0.463 -0.919 1.00 0.00 H new ATOM 0 HE1 TYR A 438 6.619 -4.554 0.988 1.00 0.00 H new ATOM 0 HE2 TYR A 438 6.921 -0.478 -0.448 1.00 0.00 H new ATOM 0 HH TYR A 438 8.680 -1.662 0.315 1.00 0.00 H new ATOM 518 N ARG A 439 0.197 -4.401 -1.498 1.00 0.00 N ATOM 519 CA ARG A 439 -1.288 -4.515 -1.671 1.00 0.00 C ATOM 520 C ARG A 439 -1.964 -4.325 -0.308 1.00 0.00 C ATOM 521 O ARG A 439 -1.340 -4.528 0.720 1.00 0.00 O ATOM 522 CB ARG A 439 -1.565 -5.922 -2.235 1.00 0.00 C ATOM 523 CG ARG A 439 -1.078 -7.004 -1.263 1.00 0.00 C ATOM 524 CD ARG A 439 -1.760 -8.346 -1.583 1.00 0.00 C ATOM 525 NE ARG A 439 -1.329 -9.292 -0.487 1.00 0.00 N ATOM 526 CZ ARG A 439 -1.289 -10.602 -0.679 1.00 0.00 C ATOM 527 NH1 ARG A 439 -1.685 -11.147 -1.806 1.00 0.00 N ATOM 528 NH2 ARG A 439 -0.864 -11.379 0.286 1.00 0.00 N ATOM 0 H ARG A 439 0.630 -5.150 -0.958 1.00 0.00 H new ATOM 0 HA ARG A 439 -1.681 -3.757 -2.349 1.00 0.00 H new ATOM 0 HB2 ARG A 439 -2.633 -6.043 -2.415 1.00 0.00 H new ATOM 0 HB3 ARG A 439 -1.065 -6.038 -3.196 1.00 0.00 H new ATOM 0 HG2 ARG A 439 0.004 -7.110 -1.337 1.00 0.00 H new ATOM 0 HG3 ARG A 439 -1.300 -6.709 -0.237 1.00 0.00 H new ATOM 0 HD2 ARG A 439 -2.845 -8.239 -1.605 1.00 0.00 H new ATOM 0 HD3 ARG A 439 -1.457 -8.716 -2.562 1.00 0.00 H new ATOM 0 HE ARG A 439 -1.063 -8.913 0.422 1.00 0.00 H new ATOM 0 HH11 ARG A 439 -2.035 -10.558 -2.562 1.00 0.00 H new ATOM 0 HH12 ARG A 439 -1.643 -12.159 -1.926 1.00 0.00 H new ATOM 0 HH21 ARG A 439 -0.568 -10.974 1.174 1.00 0.00 H new ATOM 0 HH22 ARG A 439 -0.829 -12.389 0.149 1.00 0.00 H new ATOM 542 N HIS A 440 -3.209 -3.902 -0.272 1.00 0.00 N ATOM 543 CA HIS A 440 -3.863 -3.671 1.056 1.00 0.00 C ATOM 544 C HIS A 440 -4.959 -4.707 1.383 1.00 0.00 C ATOM 545 O HIS A 440 -5.281 -4.897 2.541 1.00 0.00 O ATOM 546 CB HIS A 440 -4.441 -2.251 0.970 1.00 0.00 C ATOM 547 CG HIS A 440 -3.312 -1.274 0.762 1.00 0.00 C ATOM 548 ND1 HIS A 440 -2.763 -1.044 -0.493 1.00 0.00 N ATOM 549 CD2 HIS A 440 -2.586 -0.497 1.634 1.00 0.00 C ATOM 550 CE1 HIS A 440 -1.751 -0.170 -0.338 1.00 0.00 C ATOM 551 NE2 HIS A 440 -1.607 0.193 0.936 1.00 0.00 N ATOM 0 H HIS A 440 -3.789 -3.710 -1.089 1.00 0.00 H new ATOM 0 HA HIS A 440 -3.142 -3.781 1.866 1.00 0.00 H new ATOM 0 HB2 HIS A 440 -5.154 -2.184 0.148 1.00 0.00 H new ATOM 0 HB3 HIS A 440 -4.984 -2.010 1.884 1.00 0.00 H new ATOM 0 HD1 HIS A 440 -3.070 -1.461 -1.372 1.00 0.00 H new ATOM 0 HD2 HIS A 440 -2.753 -0.434 2.699 1.00 0.00 H new ATOM 0 HE1 HIS A 440 -1.133 0.192 -1.146 1.00 0.00 H new ATOM 559 N ASN A 441 -5.536 -5.389 0.413 1.00 0.00 N ATOM 560 CA ASN A 441 -6.593 -6.392 0.738 1.00 0.00 C ATOM 561 C ASN A 441 -6.188 -7.764 0.183 1.00 0.00 C ATOM 562 O ASN A 441 -5.939 -7.911 -0.999 1.00 0.00 O ATOM 563 CB ASN A 441 -7.882 -5.883 0.070 1.00 0.00 C ATOM 564 CG ASN A 441 -7.701 -5.799 -1.451 1.00 0.00 C ATOM 565 OD1 ASN A 441 -7.920 -6.769 -2.149 1.00 0.00 O ATOM 566 ND2 ASN A 441 -7.309 -4.679 -2.004 1.00 0.00 N ATOM 0 H ASN A 441 -5.318 -5.291 -0.579 1.00 0.00 H new ATOM 0 HA ASN A 441 -6.735 -6.507 1.813 1.00 0.00 H new ATOM 0 HB2 ASN A 441 -8.710 -6.551 0.307 1.00 0.00 H new ATOM 0 HB3 ASN A 441 -8.141 -4.901 0.466 1.00 0.00 H new ATOM 0 HD21 ASN A 441 -7.189 -4.624 -3.015 1.00 0.00 H new ATOM 0 HD22 ASN A 441 -7.124 -3.861 -1.423 1.00 0.00 H new ATOM 573 N THR A 442 -6.112 -8.762 1.027 1.00 0.00 N ATOM 574 CA THR A 442 -5.714 -10.118 0.554 1.00 0.00 C ATOM 575 C THR A 442 -6.963 -10.970 0.313 1.00 0.00 C ATOM 576 O THR A 442 -7.155 -11.998 0.935 1.00 0.00 O ATOM 577 CB THR A 442 -4.841 -10.717 1.666 1.00 0.00 C ATOM 578 OG1 THR A 442 -4.203 -9.669 2.408 1.00 0.00 O ATOM 579 CG2 THR A 442 -3.791 -11.629 1.033 1.00 0.00 C ATOM 0 H THR A 442 -6.309 -8.693 2.025 1.00 0.00 H new ATOM 0 HA THR A 442 -5.166 -10.079 -0.388 1.00 0.00 H new ATOM 0 HB THR A 442 -5.462 -11.295 2.350 1.00 0.00 H new ATOM 0 HG1 THR A 442 -3.650 -10.060 3.116 1.00 0.00 H new ATOM 0 HG21 THR A 442 -3.165 -12.060 1.814 1.00 0.00 H new ATOM 0 HG22 THR A 442 -4.287 -12.429 0.483 1.00 0.00 H new ATOM 0 HG23 THR A 442 -3.171 -11.050 0.349 1.00 0.00 H new ATOM 587 N LEU A 443 -7.807 -10.551 -0.598 1.00 0.00 N ATOM 588 CA LEU A 443 -9.053 -11.350 -0.893 1.00 0.00 C ATOM 589 C LEU A 443 -8.682 -12.694 -1.554 1.00 0.00 C ATOM 590 O LEU A 443 -7.596 -12.837 -2.079 1.00 0.00 O ATOM 591 CB LEU A 443 -9.908 -10.503 -1.854 1.00 0.00 C ATOM 592 CG LEU A 443 -10.894 -9.661 -1.049 1.00 0.00 C ATOM 593 CD1 LEU A 443 -10.144 -8.511 -0.376 1.00 0.00 C ATOM 594 CD2 LEU A 443 -11.960 -9.091 -1.988 1.00 0.00 C ATOM 0 H LEU A 443 -7.695 -9.700 -1.149 1.00 0.00 H new ATOM 0 HA LEU A 443 -9.599 -11.573 0.023 1.00 0.00 H new ATOM 0 HB2 LEU A 443 -9.268 -9.857 -2.455 1.00 0.00 H new ATOM 0 HB3 LEU A 443 -10.446 -11.151 -2.546 1.00 0.00 H new ATOM 0 HG LEU A 443 -11.371 -10.281 -0.290 1.00 0.00 H new ATOM 0 HD11 LEU A 443 -10.845 -7.907 0.200 1.00 0.00 H new ATOM 0 HD12 LEU A 443 -9.381 -8.914 0.289 1.00 0.00 H new ATOM 0 HD13 LEU A 443 -9.671 -7.890 -1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 443 -12.665 -8.489 -1.415 1.00 0.00 H new ATOM 0 HD22 LEU A 443 -11.483 -8.468 -2.745 1.00 0.00 H new ATOM 0 HD23 LEU A 443 -12.492 -9.909 -2.474 1.00 0.00 H new ATOM 606 N PRO A 444 -9.599 -13.646 -1.505 1.00 0.00 N ATOM 607 CA PRO A 444 -9.339 -14.982 -2.111 1.00 0.00 C ATOM 608 C PRO A 444 -9.393 -14.907 -3.644 1.00 0.00 C ATOM 609 O PRO A 444 -10.200 -14.189 -4.205 1.00 0.00 O ATOM 610 CB PRO A 444 -10.474 -15.851 -1.571 1.00 0.00 C ATOM 611 CG PRO A 444 -11.577 -14.895 -1.248 1.00 0.00 C ATOM 612 CD PRO A 444 -10.936 -13.577 -0.895 1.00 0.00 C ATOM 0 HA PRO A 444 -8.352 -15.373 -1.864 1.00 0.00 H new ATOM 0 HB2 PRO A 444 -10.793 -16.586 -2.310 1.00 0.00 H new ATOM 0 HB3 PRO A 444 -10.160 -16.404 -0.686 1.00 0.00 H new ATOM 0 HG2 PRO A 444 -12.248 -14.781 -2.099 1.00 0.00 H new ATOM 0 HG3 PRO A 444 -12.177 -15.266 -0.417 1.00 0.00 H new ATOM 0 HD2 PRO A 444 -11.510 -12.738 -1.289 1.00 0.00 H new ATOM 0 HD3 PRO A 444 -10.874 -13.442 0.185 1.00 0.00 H new ATOM 620 N VAL A 445 -8.540 -15.644 -4.332 1.00 0.00 N ATOM 621 CA VAL A 445 -8.553 -15.602 -5.829 1.00 0.00 C ATOM 622 C VAL A 445 -8.159 -16.975 -6.403 1.00 0.00 C ATOM 623 O VAL A 445 -7.268 -17.074 -7.224 1.00 0.00 O ATOM 624 CB VAL A 445 -7.518 -14.536 -6.211 1.00 0.00 C ATOM 625 CG1 VAL A 445 -7.468 -14.391 -7.733 1.00 0.00 C ATOM 626 CG2 VAL A 445 -7.908 -13.192 -5.591 1.00 0.00 C ATOM 0 H VAL A 445 -7.844 -16.266 -3.921 1.00 0.00 H new ATOM 0 HA VAL A 445 -9.540 -15.365 -6.226 1.00 0.00 H new ATOM 0 HB VAL A 445 -6.539 -14.839 -5.839 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -6.732 -13.633 -8.002 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -7.187 -15.345 -8.180 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -8.449 -14.092 -8.102 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -7.170 -12.437 -5.865 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -8.889 -12.892 -5.960 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -7.943 -13.288 -4.506 1.00 0.00 H new ATOM 636 N ARG A 446 -8.827 -18.036 -5.989 1.00 0.00 N ATOM 637 CA ARG A 446 -8.493 -19.406 -6.528 1.00 0.00 C ATOM 638 C ARG A 446 -9.421 -20.489 -5.934 1.00 0.00 C ATOM 639 O ARG A 446 -9.904 -21.343 -6.655 1.00 0.00 O ATOM 640 CB ARG A 446 -7.021 -19.691 -6.161 1.00 0.00 C ATOM 641 CG ARG A 446 -6.765 -19.441 -4.670 1.00 0.00 C ATOM 642 CD ARG A 446 -5.250 -19.366 -4.418 1.00 0.00 C ATOM 643 NE ARG A 446 -4.840 -17.942 -4.702 1.00 0.00 N ATOM 644 CZ ARG A 446 -3.596 -17.644 -5.047 1.00 0.00 C ATOM 645 NH1 ARG A 446 -2.660 -18.564 -5.122 1.00 0.00 N ATOM 646 NH2 ARG A 446 -3.279 -16.401 -5.307 1.00 0.00 N ATOM 0 H ARG A 446 -9.584 -18.014 -5.306 1.00 0.00 H new ATOM 0 HA ARG A 446 -8.638 -19.430 -7.608 1.00 0.00 H new ATOM 0 HB2 ARG A 446 -6.775 -20.724 -6.407 1.00 0.00 H new ATOM 0 HB3 ARG A 446 -6.365 -19.057 -6.757 1.00 0.00 H new ATOM 0 HG2 ARG A 446 -7.243 -18.512 -4.358 1.00 0.00 H new ATOM 0 HG3 ARG A 446 -7.205 -20.241 -4.075 1.00 0.00 H new ATOM 0 HD2 ARG A 446 -5.013 -19.640 -3.390 1.00 0.00 H new ATOM 0 HD3 ARG A 446 -4.714 -20.061 -5.065 1.00 0.00 H new ATOM 0 HE ARG A 446 -5.532 -17.196 -4.627 1.00 0.00 H new ATOM 0 HH11 ARG A 446 -2.883 -19.537 -4.912 1.00 0.00 H new ATOM 0 HH12 ARG A 446 -1.711 -18.305 -5.390 1.00 0.00 H new ATOM 0 HH21 ARG A 446 -3.987 -15.670 -5.243 1.00 0.00 H new ATOM 0 HH22 ARG A 446 -2.323 -16.163 -5.573 1.00 0.00 H new ATOM 660 N ASN A 447 -9.682 -20.472 -4.638 1.00 0.00 N ATOM 661 CA ASN A 447 -10.581 -21.509 -4.044 1.00 0.00 C ATOM 662 C ASN A 447 -11.875 -20.853 -3.536 1.00 0.00 C ATOM 663 O ASN A 447 -12.038 -20.635 -2.350 1.00 0.00 O ATOM 664 CB ASN A 447 -9.788 -22.111 -2.881 1.00 0.00 C ATOM 665 CG ASN A 447 -10.206 -23.572 -2.680 1.00 0.00 C ATOM 666 OD1 ASN A 447 -10.734 -23.923 -1.643 1.00 0.00 O ATOM 667 ND2 ASN A 447 -9.995 -24.451 -3.630 1.00 0.00 N ATOM 0 H ASN A 447 -9.311 -19.788 -3.978 1.00 0.00 H new ATOM 0 HA ASN A 447 -10.871 -22.270 -4.769 1.00 0.00 H new ATOM 0 HB2 ASN A 447 -8.719 -22.052 -3.087 1.00 0.00 H new ATOM 0 HB3 ASN A 447 -9.969 -21.541 -1.970 1.00 0.00 H new ATOM 0 HD21 ASN A 447 -10.274 -25.423 -3.496 1.00 0.00 H new ATOM 0 HD22 ASN A 447 -9.552 -24.163 -4.503 1.00 0.00 H new ATOM 674 N VAL A 448 -12.798 -20.533 -4.423 1.00 0.00 N ATOM 675 CA VAL A 448 -14.077 -19.886 -3.969 1.00 0.00 C ATOM 676 C VAL A 448 -15.233 -20.898 -3.844 1.00 0.00 C ATOM 677 O VAL A 448 -16.200 -20.648 -3.149 1.00 0.00 O ATOM 678 CB VAL A 448 -14.408 -18.792 -5.001 1.00 0.00 C ATOM 679 CG1 VAL A 448 -13.227 -17.826 -5.124 1.00 0.00 C ATOM 680 CG2 VAL A 448 -14.698 -19.413 -6.376 1.00 0.00 C ATOM 0 H VAL A 448 -12.721 -20.690 -5.428 1.00 0.00 H new ATOM 0 HA VAL A 448 -13.949 -19.465 -2.972 1.00 0.00 H new ATOM 0 HB VAL A 448 -15.294 -18.255 -4.662 1.00 0.00 H new ATOM 0 HG11 VAL A 448 -13.464 -17.053 -5.855 1.00 0.00 H new ATOM 0 HG12 VAL A 448 -13.033 -17.363 -4.156 1.00 0.00 H new ATOM 0 HG13 VAL A 448 -12.342 -18.373 -5.448 1.00 0.00 H new ATOM 0 HG21 VAL A 448 -14.930 -18.623 -7.090 1.00 0.00 H new ATOM 0 HG22 VAL A 448 -13.823 -19.966 -6.717 1.00 0.00 H new ATOM 0 HG23 VAL A 448 -15.548 -20.091 -6.297 1.00 0.00 H new ATOM 690 N LEU A 449 -15.144 -22.030 -4.494 1.00 0.00 N ATOM 691 CA LEU A 449 -16.235 -23.048 -4.398 1.00 0.00 C ATOM 692 C LEU A 449 -15.648 -24.471 -4.454 1.00 0.00 C ATOM 693 O LEU A 449 -16.275 -25.378 -4.963 1.00 0.00 O ATOM 694 CB LEU A 449 -17.123 -22.784 -5.621 1.00 0.00 C ATOM 695 CG LEU A 449 -18.605 -22.997 -5.273 1.00 0.00 C ATOM 696 CD1 LEU A 449 -18.832 -24.439 -4.812 1.00 0.00 C ATOM 697 CD2 LEU A 449 -19.023 -22.031 -4.159 1.00 0.00 C ATOM 0 H LEU A 449 -14.360 -22.295 -5.090 1.00 0.00 H new ATOM 0 HA LEU A 449 -16.789 -22.974 -3.462 1.00 0.00 H new ATOM 0 HB2 LEU A 449 -16.970 -21.764 -5.974 1.00 0.00 H new ATOM 0 HB3 LEU A 449 -16.836 -23.450 -6.435 1.00 0.00 H new ATOM 0 HG LEU A 449 -19.207 -22.805 -6.161 1.00 0.00 H new ATOM 0 HD11 LEU A 449 -19.885 -24.581 -4.567 1.00 0.00 H new ATOM 0 HD12 LEU A 449 -18.549 -25.125 -5.610 1.00 0.00 H new ATOM 0 HD13 LEU A 449 -18.224 -24.639 -3.930 1.00 0.00 H new ATOM 0 HD21 LEU A 449 -20.074 -22.187 -3.917 1.00 0.00 H new ATOM 0 HD22 LEU A 449 -18.416 -22.214 -3.272 1.00 0.00 H new ATOM 0 HD23 LEU A 449 -18.877 -21.004 -4.494 1.00 0.00 H new ATOM 709 N ASP A 450 -14.447 -24.682 -3.936 1.00 0.00 N ATOM 710 CA ASP A 450 -13.829 -26.047 -3.965 1.00 0.00 C ATOM 711 C ASP A 450 -13.917 -26.665 -5.374 1.00 0.00 C ATOM 712 O ASP A 450 -14.764 -27.501 -5.633 1.00 0.00 O ATOM 713 CB ASP A 450 -14.642 -26.871 -2.966 1.00 0.00 C ATOM 714 CG ASP A 450 -14.137 -26.599 -1.548 1.00 0.00 C ATOM 715 OD1 ASP A 450 -14.565 -25.614 -0.967 1.00 0.00 O ATOM 716 OD2 ASP A 450 -13.330 -27.377 -1.067 1.00 0.00 O ATOM 0 H ASP A 450 -13.874 -23.962 -3.496 1.00 0.00 H new ATOM 0 HA ASP A 450 -12.770 -26.016 -3.709 1.00 0.00 H new ATOM 0 HB2 ASP A 450 -15.699 -26.615 -3.042 1.00 0.00 H new ATOM 0 HB3 ASP A 450 -14.554 -27.933 -3.197 1.00 0.00 H new ATOM 721 N GLU A 451 -13.056 -26.263 -6.287 1.00 0.00 N ATOM 722 CA GLU A 451 -13.112 -26.837 -7.668 1.00 0.00 C ATOM 723 C GLU A 451 -11.916 -27.762 -7.905 1.00 0.00 C ATOM 724 O GLU A 451 -11.737 -28.188 -9.034 1.00 0.00 O ATOM 725 CB GLU A 451 -13.055 -25.633 -8.613 1.00 0.00 C ATOM 726 CG GLU A 451 -14.287 -24.752 -8.395 1.00 0.00 C ATOM 727 CD GLU A 451 -13.977 -23.322 -8.839 1.00 0.00 C ATOM 728 OE1 GLU A 451 -13.969 -23.083 -10.036 1.00 0.00 O ATOM 729 OE2 GLU A 451 -13.751 -22.489 -7.976 1.00 0.00 O ATOM 730 OXT GLU A 451 -11.201 -28.030 -6.953 1.00 0.00 O ATOM 0 H GLU A 451 -12.325 -25.568 -6.134 1.00 0.00 H new ATOM 0 HA GLU A 451 -14.012 -27.431 -7.827 1.00 0.00 H new ATOM 0 HB2 GLU A 451 -12.147 -25.058 -8.431 1.00 0.00 H new ATOM 0 HB3 GLU A 451 -13.016 -25.972 -9.648 1.00 0.00 H new ATOM 0 HG2 GLU A 451 -15.132 -25.144 -8.960 1.00 0.00 H new ATOM 0 HG3 GLU A 451 -14.574 -24.763 -7.343 1.00 0.00 H new TER 737 GLU A 451 HETATM 738 ZN ZN A1001 -0.255 1.230 1.874 1.00 0.00 ZN HETATM 739 O5' ADN A1002 5.381 8.030 11.598 1.00 0.00 O HETATM 740 C5' ADN A1002 6.506 7.921 10.730 1.00 0.00 C HETATM 741 C4' ADN A1002 6.049 7.745 9.302 1.00 0.00 C HETATM 742 O4' ADN A1002 5.213 6.563 9.218 1.00 0.00 O HETATM 743 C3' ADN A1002 5.179 8.869 8.757 1.00 0.00 C HETATM 744 O3' ADN A1002 5.948 9.939 8.222 1.00 0.00 O HETATM 745 C2' ADN A1002 4.373 8.172 7.665 1.00 0.00 C HETATM 746 O2' ADN A1002 5.124 8.107 6.458 1.00 0.00 O HETATM 747 C1' ADN A1002 4.185 6.775 8.270 1.00 0.00 C HETATM 748 N9 ADN A1002 2.887 6.556 8.911 1.00 0.00 N HETATM 749 C8 ADN A1002 2.502 6.865 10.191 1.00 0.00 C HETATM 750 N7 ADN A1002 1.262 6.540 10.475 1.00 0.00 N HETATM 751 C5 ADN A1002 0.794 5.976 9.301 1.00 0.00 C HETATM 752 C6 ADN A1002 -0.467 5.414 8.921 1.00 0.00 C HETATM 753 N6 ADN A1002 -1.517 5.337 9.744 1.00 0.00 N HETATM 754 N1 ADN A1002 -0.601 4.930 7.646 1.00 0.00 N HETATM 755 C2 ADN A1002 0.467 5.007 6.802 1.00 0.00 C HETATM 756 N3 ADN A1002 1.694 5.514 7.050 1.00 0.00 N HETATM 757 C4 ADN A1002 1.791 5.981 8.321 1.00 0.00 C HETATM 0 HO5' ADN A1002 5.690 8.142 12.521 1.00 0.00 H new HETATM 0 HO3' ADN A1002 6.092 9.792 7.264 1.00 0.00 H new HETATM 0 HN62 ADN A1002 -2.392 4.926 9.418 1.00 0.00 H new HETATM 0 HN61 ADN A1002 -1.444 5.690 10.698 1.00 0.00 H new HETATM 0 H5'2 ADN A1002 7.126 8.813 10.813 1.00 0.00 H new HETATM 0 H5'1 ADN A1002 7.124 7.074 11.029 1.00 0.00 H new HETATM 0 H8 ADN A1002 3.169 7.340 10.911 1.00 0.00 H new HETATM 0 H4' ADN A1002 6.972 7.701 8.723 1.00 0.00 H new HETATM 0 H3' ADN A1002 4.565 9.334 9.528 1.00 0.00 H new HETATM 0 H2' ADN A1002 3.440 8.671 7.403 1.00 0.00 H new HETATM 0 H2 ADN A1002 0.311 4.609 5.800 1.00 0.00 H new HETATM 0 H1' ADN A1002 4.228 6.066 7.443 1.00 0.00 H new HETATM 770 O5' RIB A1003 3.062 10.042 2.427 1.00 0.00 O HETATM 771 C5' RIB A1003 3.712 8.801 2.168 1.00 0.00 C HETATM 772 C4' RIB A1003 4.863 8.599 3.135 1.00 0.00 C HETATM 773 O4' RIB A1003 4.514 9.111 4.446 1.00 0.00 O HETATM 774 C3' RIB A1003 5.290 7.158 3.370 1.00 0.00 C HETATM 775 O3' RIB A1003 6.688 7.077 3.621 1.00 0.00 O HETATM 776 C2' RIB A1003 4.472 6.717 4.586 1.00 0.00 C HETATM 777 O2' RIB A1003 5.243 5.845 5.384 1.00 0.00 O HETATM 778 C1' RIB A1003 4.254 8.038 5.334 1.00 0.00 C HETATM 0 HO5' RIB A1003 3.099 10.237 3.387 1.00 0.00 H new HETATM 0 HO3' RIB A1003 6.849 6.492 4.391 1.00 0.00 H new HETATM 0 HO2' RIB A1003 5.714 6.361 6.071 1.00 0.00 H new HETATM 0 H5'2 RIB A1003 2.999 7.982 2.264 1.00 0.00 H new HETATM 0 H5'1 RIB A1003 4.082 8.783 1.143 1.00 0.00 H new HETATM 0 H4' RIB A1003 5.686 9.127 2.653 1.00 0.00 H new HETATM 0 H3' RIB A1003 5.112 6.520 2.504 1.00 0.00 H new HETATM 0 H2' RIB A1003 3.550 6.195 4.332 1.00 0.00 H new