USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 464 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 GLN : amide:sc= 0.229 K(o=0.23,f=-0.41) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 0:sc= 1.26 USER MOD Single : A 18 MET CE :methyl 179:sc= 0 (180deg=-0.00179) USER MOD Single : A 36 MET CE :methyl -171:sc= 0 (180deg=-0.107) USER MOD Single : A 41 HIS : no HE2:sc= -10.5! C(o=-10!,f=-15!) USER MOD Single : A 43 SER OG : rot -53:sc= -4.76! USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl 136:sc= -6.01! (180deg=-12.1!) USER MOD Single : A 54 SER OG : rot -173:sc= -4.87! USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0617) USER MOD Single : A 67 ASN : amide:sc= -4.14! C(o=-4.1!,f=-9.2!) USER MOD Single : A 70 LYS NZ :NH3+ 139:sc= 0.647 (180deg=-0.219!) USER MOD Single : A 71 LYS NZ :NH3+ -167:sc= -0.0556 (180deg=-0.273) USER MOD Single : A 72 LYS NZ :NH3+ 136:sc= -0.0558! (180deg=-1.04) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 22 N LEU A 11 2.945 11.102 2.354 1.00 0.00 N ATOM 23 CA LEU A 11 4.017 10.421 1.646 1.00 0.00 C ATOM 24 C LEU A 11 3.869 10.601 0.138 1.00 0.00 C ATOM 25 O LEU A 11 2.755 10.708 -0.377 1.00 0.00 O ATOM 26 CB LEU A 11 4.028 8.932 2.000 1.00 0.00 C ATOM 27 CG LEU A 11 3.653 8.606 3.452 1.00 0.00 C ATOM 28 CD1 LEU A 11 2.367 7.794 3.503 1.00 0.00 C ATOM 29 CD2 LEU A 11 4.784 7.861 4.145 1.00 0.00 C ATOM 0 HA LEU A 11 4.964 10.864 1.955 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.337 8.412 1.337 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.023 8.534 1.800 1.00 0.00 H new ATOM 0 HG LEU A 11 3.488 9.545 3.981 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.117 7.573 4.541 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.558 8.366 3.049 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.504 6.861 2.956 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.498 7.640 5.173 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.984 6.930 3.615 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.682 8.479 4.144 1.00 0.00 H new ATOM 41 N GLN A 12 4.997 10.641 -0.564 1.00 0.00 N ATOM 42 CA GLN A 12 4.997 10.814 -1.999 1.00 0.00 C ATOM 43 C GLN A 12 4.580 9.519 -2.697 1.00 0.00 C ATOM 44 O GLN A 12 4.905 8.423 -2.239 1.00 0.00 O ATOM 45 CB GLN A 12 6.392 11.284 -2.442 1.00 0.00 C ATOM 46 CG GLN A 12 6.872 10.720 -3.768 1.00 0.00 C ATOM 47 CD GLN A 12 6.402 11.538 -4.955 1.00 0.00 C ATOM 48 OE1 GLN A 12 6.803 12.690 -5.127 1.00 0.00 O ATOM 49 NE2 GLN A 12 5.547 10.949 -5.782 1.00 0.00 N ATOM 0 H GLN A 12 5.926 10.555 -0.152 1.00 0.00 H new ATOM 0 HA GLN A 12 4.268 11.573 -2.284 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.388 12.372 -2.508 1.00 0.00 H new ATOM 0 HB3 GLN A 12 7.111 11.015 -1.669 1.00 0.00 H new ATOM 0 HG2 GLN A 12 7.961 10.679 -3.768 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.515 9.696 -3.873 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.240 9.993 -5.603 1.00 0.00 H new ATOM 0 HE22 GLN A 12 5.197 11.452 -6.597 1.00 0.00 H new ATOM 58 N ILE A 13 3.847 9.654 -3.797 1.00 0.00 N ATOM 59 CA ILE A 13 3.369 8.504 -4.552 1.00 0.00 C ATOM 60 C ILE A 13 4.502 7.754 -5.246 1.00 0.00 C ATOM 61 O ILE A 13 5.377 8.354 -5.868 1.00 0.00 O ATOM 62 CB ILE A 13 2.350 8.949 -5.612 1.00 0.00 C ATOM 63 CG1 ILE A 13 1.184 9.675 -4.940 1.00 0.00 C ATOM 64 CG2 ILE A 13 1.857 7.765 -6.439 1.00 0.00 C ATOM 65 CD1 ILE A 13 0.158 8.751 -4.320 1.00 0.00 C ATOM 0 H ILE A 13 3.570 10.555 -4.187 1.00 0.00 H new ATOM 0 HA ILE A 13 2.902 7.830 -3.834 1.00 0.00 H new ATOM 0 HB ILE A 13 2.843 9.638 -6.298 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.578 10.335 -4.167 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.690 10.307 -5.678 1.00 0.00 H new ATOM 0 HG21 ILE A 13 1.137 8.113 -7.180 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.702 7.298 -6.945 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.379 7.037 -5.783 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.636 9.343 -3.864 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.266 8.108 -5.091 1.00 0.00 H new ATOM 0 HD13 ILE A 13 0.636 8.136 -3.557 1.00 0.00 H new ATOM 77 N TYR A 14 4.453 6.431 -5.148 1.00 0.00 N ATOM 78 CA TYR A 14 5.441 5.569 -5.776 1.00 0.00 C ATOM 79 C TYR A 14 4.744 4.575 -6.699 1.00 0.00 C ATOM 80 O TYR A 14 3.624 4.148 -6.424 1.00 0.00 O ATOM 81 CB TYR A 14 6.242 4.815 -4.714 1.00 0.00 C ATOM 82 CG TYR A 14 6.955 5.713 -3.728 1.00 0.00 C ATOM 83 CD1 TYR A 14 7.386 6.981 -4.091 1.00 0.00 C ATOM 84 CD2 TYR A 14 7.201 5.284 -2.430 1.00 0.00 C ATOM 85 CE1 TYR A 14 8.044 7.796 -3.190 1.00 0.00 C ATOM 86 CE2 TYR A 14 7.855 6.093 -1.523 1.00 0.00 C ATOM 87 CZ TYR A 14 8.275 7.347 -1.908 1.00 0.00 C ATOM 88 OH TYR A 14 8.929 8.156 -1.007 1.00 0.00 O ATOM 0 H TYR A 14 3.730 5.929 -4.633 1.00 0.00 H new ATOM 0 HA TYR A 14 6.126 6.186 -6.358 1.00 0.00 H new ATOM 0 HB2 TYR A 14 5.569 4.154 -4.167 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.977 4.181 -5.210 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.204 7.337 -5.094 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.875 4.301 -2.125 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.375 8.779 -3.489 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.036 5.745 -0.517 1.00 0.00 H new ATOM 0 HH TYR A 14 9.010 7.691 -0.148 1.00 0.00 H new ATOM 98 N PRO A 15 5.387 4.196 -7.814 1.00 0.00 N ATOM 99 CA PRO A 15 4.802 3.254 -8.771 1.00 0.00 C ATOM 100 C PRO A 15 4.810 1.812 -8.270 1.00 0.00 C ATOM 101 O PRO A 15 5.239 0.906 -8.983 1.00 0.00 O ATOM 102 CB PRO A 15 5.702 3.401 -9.998 1.00 0.00 C ATOM 103 CG PRO A 15 7.022 3.814 -9.446 1.00 0.00 C ATOM 104 CD PRO A 15 6.723 4.660 -8.236 1.00 0.00 C ATOM 0 HA PRO A 15 3.751 3.471 -8.960 1.00 0.00 H new ATOM 0 HB2 PRO A 15 5.778 2.464 -10.549 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.311 4.147 -10.690 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.620 2.944 -9.175 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.594 4.377 -10.184 1.00 0.00 H new ATOM 0 HD2 PRO A 15 7.465 4.514 -7.451 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.721 5.722 -8.479 1.00 0.00 H new ATOM 112 N TYR A 16 4.310 1.609 -7.051 1.00 0.00 N ATOM 113 CA TYR A 16 4.236 0.272 -6.448 1.00 0.00 C ATOM 114 C TYR A 16 5.599 -0.406 -6.373 1.00 0.00 C ATOM 115 O TYR A 16 6.144 -0.626 -5.292 1.00 0.00 O ATOM 116 CB TYR A 16 3.265 -0.609 -7.240 1.00 0.00 C ATOM 117 CG TYR A 16 2.962 -1.950 -6.595 1.00 0.00 C ATOM 118 CD1 TYR A 16 2.131 -2.042 -5.483 1.00 0.00 C ATOM 119 CD2 TYR A 16 3.493 -3.127 -7.111 1.00 0.00 C ATOM 120 CE1 TYR A 16 1.839 -3.264 -4.906 1.00 0.00 C ATOM 121 CE2 TYR A 16 3.206 -4.351 -6.538 1.00 0.00 C ATOM 122 CZ TYR A 16 2.379 -4.414 -5.438 1.00 0.00 C ATOM 123 OH TYR A 16 2.090 -5.632 -4.869 1.00 0.00 O ATOM 0 H TYR A 16 3.948 2.355 -6.457 1.00 0.00 H new ATOM 0 HA TYR A 16 3.875 0.399 -5.427 1.00 0.00 H new ATOM 0 HB2 TYR A 16 2.330 -0.066 -7.376 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.680 -0.783 -8.233 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.706 -1.142 -5.063 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.141 -3.084 -7.974 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.191 -3.317 -4.043 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.628 -5.255 -6.951 1.00 0.00 H new ATOM 0 HH TYR A 16 1.492 -5.502 -4.104 1.00 0.00 H new ATOM 133 N GLU A 17 6.123 -0.742 -7.533 1.00 0.00 N ATOM 134 CA GLU A 17 7.413 -1.413 -7.658 1.00 0.00 C ATOM 135 C GLU A 17 8.484 -0.726 -6.820 1.00 0.00 C ATOM 136 O GLU A 17 9.448 -1.357 -6.388 1.00 0.00 O ATOM 137 CB GLU A 17 7.848 -1.452 -9.123 1.00 0.00 C ATOM 138 CG GLU A 17 8.075 -0.077 -9.729 1.00 0.00 C ATOM 139 CD GLU A 17 9.546 0.250 -9.898 1.00 0.00 C ATOM 140 OE1 GLU A 17 10.210 -0.412 -10.722 1.00 0.00 O ATOM 141 OE2 GLU A 17 10.033 1.169 -9.207 1.00 0.00 O ATOM 0 H GLU A 17 5.667 -0.558 -8.427 1.00 0.00 H new ATOM 0 HA GLU A 17 7.294 -2.431 -7.287 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.767 -2.032 -9.205 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.089 -1.975 -9.705 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.581 -0.026 -10.699 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.610 0.677 -9.094 1.00 0.00 H new ATOM 148 N MET A 18 8.306 0.567 -6.590 1.00 0.00 N ATOM 149 CA MET A 18 9.258 1.331 -5.798 1.00 0.00 C ATOM 150 C MET A 18 9.280 0.822 -4.361 1.00 0.00 C ATOM 151 O MET A 18 10.279 0.953 -3.654 1.00 0.00 O ATOM 152 CB MET A 18 8.906 2.820 -5.827 1.00 0.00 C ATOM 153 CG MET A 18 9.976 3.686 -6.474 1.00 0.00 C ATOM 154 SD MET A 18 10.544 5.017 -5.398 1.00 0.00 S ATOM 155 CE MET A 18 10.040 6.454 -6.341 1.00 0.00 C ATOM 0 H MET A 18 7.514 1.107 -6.939 1.00 0.00 H new ATOM 0 HA MET A 18 10.250 1.201 -6.231 1.00 0.00 H new ATOM 0 HB2 MET A 18 7.968 2.953 -6.366 1.00 0.00 H new ATOM 0 HB3 MET A 18 8.739 3.165 -4.807 1.00 0.00 H new ATOM 0 HG2 MET A 18 10.825 3.061 -6.750 1.00 0.00 H new ATOM 0 HG3 MET A 18 9.582 4.114 -7.396 1.00 0.00 H new ATOM 0 HE1 MET A 18 10.307 7.359 -5.796 1.00 0.00 H new ATOM 0 HE2 MET A 18 10.544 6.450 -7.307 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.961 6.428 -6.495 1.00 0.00 H new ATOM 165 N LEU A 19 8.165 0.234 -3.946 1.00 0.00 N ATOM 166 CA LEU A 19 8.027 -0.310 -2.604 1.00 0.00 C ATOM 167 C LEU A 19 8.109 -1.831 -2.631 1.00 0.00 C ATOM 168 O LEU A 19 8.493 -2.463 -1.647 1.00 0.00 O ATOM 169 CB LEU A 19 6.685 0.112 -2.016 1.00 0.00 C ATOM 170 CG LEU A 19 6.397 1.612 -2.064 1.00 0.00 C ATOM 171 CD1 LEU A 19 4.946 1.860 -2.458 1.00 0.00 C ATOM 172 CD2 LEU A 19 6.713 2.259 -0.722 1.00 0.00 C ATOM 0 H LEU A 19 7.335 0.122 -4.528 1.00 0.00 H new ATOM 0 HA LEU A 19 8.839 0.076 -1.988 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.892 -0.411 -2.550 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.642 -0.217 -0.978 1.00 0.00 H new ATOM 0 HG LEU A 19 7.039 2.067 -2.819 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.755 2.933 -2.488 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.758 1.430 -3.442 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.286 1.395 -1.726 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.502 3.327 -0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.097 1.805 0.055 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.766 2.108 -0.484 1.00 0.00 H new ATOM 380 N GLY A 32 10.873 7.131 4.282 1.00 0.00 N ATOM 381 CA GLY A 32 9.583 7.677 4.671 1.00 0.00 C ATOM 382 C GLY A 32 8.416 6.857 4.153 1.00 0.00 C ATOM 383 O GLY A 32 7.601 7.351 3.375 1.00 0.00 O ATOM 0 HA2 GLY A 32 9.529 7.730 5.758 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.498 8.697 4.297 1.00 0.00 H new ATOM 387 N VAL A 33 8.333 5.602 4.589 1.00 0.00 N ATOM 388 CA VAL A 33 7.267 4.717 4.174 1.00 0.00 C ATOM 389 C VAL A 33 6.562 4.095 5.358 1.00 0.00 C ATOM 390 O VAL A 33 7.137 3.918 6.431 1.00 0.00 O ATOM 391 CB VAL A 33 7.777 3.622 3.235 1.00 0.00 C ATOM 392 CG1 VAL A 33 6.675 2.633 2.890 1.00 0.00 C ATOM 393 CG2 VAL A 33 8.353 4.246 1.982 1.00 0.00 C ATOM 0 H VAL A 33 9.001 5.180 5.234 1.00 0.00 H new ATOM 0 HA VAL A 33 6.548 5.330 3.631 1.00 0.00 H new ATOM 0 HB VAL A 33 8.564 3.068 3.747 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.069 1.868 2.221 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.308 2.164 3.803 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.856 3.158 2.398 1.00 0.00 H new ATOM 0 HG21 VAL A 33 8.714 3.461 1.318 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.580 4.823 1.475 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.180 4.904 2.250 1.00 0.00 H new ATOM 403 N ASP A 34 5.295 3.790 5.145 1.00 0.00 N ATOM 404 CA ASP A 34 4.463 3.211 6.173 1.00 0.00 C ATOM 405 C ASP A 34 4.166 1.745 5.881 1.00 0.00 C ATOM 406 O ASP A 34 3.262 1.426 5.109 1.00 0.00 O ATOM 407 CB ASP A 34 3.170 4.011 6.247 1.00 0.00 C ATOM 408 CG ASP A 34 2.759 4.329 7.672 1.00 0.00 C ATOM 409 OD1 ASP A 34 2.976 3.474 8.557 1.00 0.00 O ATOM 410 OD2 ASP A 34 2.219 5.432 7.903 1.00 0.00 O ATOM 0 H ASP A 34 4.819 3.938 4.255 1.00 0.00 H new ATOM 0 HA ASP A 34 4.986 3.251 7.129 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.291 4.941 5.692 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.372 3.450 5.760 1.00 0.00 H new ATOM 415 N ARG A 35 4.930 0.856 6.506 1.00 0.00 N ATOM 416 CA ARG A 35 4.746 -0.581 6.318 1.00 0.00 C ATOM 417 C ARG A 35 3.290 -0.980 6.548 1.00 0.00 C ATOM 418 O ARG A 35 2.791 -1.925 5.939 1.00 0.00 O ATOM 419 CB ARG A 35 5.658 -1.362 7.267 1.00 0.00 C ATOM 420 CG ARG A 35 5.362 -1.114 8.739 1.00 0.00 C ATOM 421 CD ARG A 35 4.839 -2.366 9.428 1.00 0.00 C ATOM 422 NE ARG A 35 5.501 -2.603 10.709 1.00 0.00 N ATOM 423 CZ ARG A 35 5.495 -3.775 11.341 1.00 0.00 C ATOM 424 NH1 ARG A 35 4.863 -4.817 10.816 1.00 0.00 N ATOM 425 NH2 ARG A 35 6.122 -3.905 12.502 1.00 0.00 N ATOM 0 H ARG A 35 5.683 1.104 7.148 1.00 0.00 H new ATOM 0 HA ARG A 35 5.011 -0.824 5.289 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.557 -2.427 7.059 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.695 -1.094 7.063 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.269 -0.775 9.240 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.628 -0.314 8.833 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.765 -2.270 9.587 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.989 -3.228 8.777 1.00 0.00 H new ATOM 0 HE ARG A 35 5.997 -1.825 11.145 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.378 -4.723 9.924 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.862 -5.712 11.305 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.609 -3.107 12.911 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.118 -4.803 12.986 1.00 0.00 H new ATOM 439 N MET A 36 2.616 -0.250 7.432 1.00 0.00 N ATOM 440 CA MET A 36 1.225 -0.519 7.746 1.00 0.00 C ATOM 441 C MET A 36 0.290 0.435 7.004 1.00 0.00 C ATOM 442 O MET A 36 -0.909 0.483 7.282 1.00 0.00 O ATOM 443 CB MET A 36 0.994 -0.407 9.253 1.00 0.00 C ATOM 444 CG MET A 36 0.987 -1.746 9.971 1.00 0.00 C ATOM 445 SD MET A 36 -0.200 -1.800 11.326 1.00 0.00 S ATOM 446 CE MET A 36 0.383 -0.445 12.343 1.00 0.00 C ATOM 0 H MET A 36 3.018 0.536 7.944 1.00 0.00 H new ATOM 0 HA MET A 36 1.000 -1.534 7.420 1.00 0.00 H new ATOM 0 HB2 MET A 36 1.772 0.223 9.685 1.00 0.00 H new ATOM 0 HB3 MET A 36 0.043 0.095 9.430 1.00 0.00 H new ATOM 0 HG2 MET A 36 0.754 -2.536 9.257 1.00 0.00 H new ATOM 0 HG3 MET A 36 1.985 -1.951 10.359 1.00 0.00 H new ATOM 0 HE1 MET A 36 -0.147 -0.450 13.295 1.00 0.00 H new ATOM 0 HE2 MET A 36 1.452 -0.558 12.522 1.00 0.00 H new ATOM 0 HE3 MET A 36 0.199 0.500 11.831 1.00 0.00 H new ATOM 456 N ARG A 37 0.841 1.193 6.061 1.00 0.00 N ATOM 457 CA ARG A 37 0.055 2.142 5.283 1.00 0.00 C ATOM 458 C ARG A 37 0.741 2.423 3.952 1.00 0.00 C ATOM 459 O ARG A 37 0.914 3.576 3.555 1.00 0.00 O ATOM 460 CB ARG A 37 -0.140 3.441 6.070 1.00 0.00 C ATOM 461 CG ARG A 37 -1.597 3.849 6.216 1.00 0.00 C ATOM 462 CD ARG A 37 -2.330 2.951 7.199 1.00 0.00 C ATOM 463 NE ARG A 37 -3.556 3.570 7.698 1.00 0.00 N ATOM 464 CZ ARG A 37 -3.584 4.490 8.659 1.00 0.00 C ATOM 465 NH1 ARG A 37 -2.457 4.901 9.229 1.00 0.00 N ATOM 466 NH2 ARG A 37 -4.743 5.001 9.053 1.00 0.00 N ATOM 0 H ARG A 37 1.831 1.168 5.817 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.925 1.708 5.085 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.298 3.325 7.062 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.406 4.243 5.573 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.654 4.884 6.554 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.088 3.804 5.244 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.573 2.005 6.714 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.673 2.720 8.038 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.443 3.280 7.285 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.563 4.511 8.931 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.486 5.607 9.965 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.612 4.689 8.619 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -4.765 5.706 9.790 1.00 0.00 H new ATOM 480 N LEU A 38 1.137 1.355 3.273 1.00 0.00 N ATOM 481 CA LEU A 38 1.815 1.461 1.993 1.00 0.00 C ATOM 482 C LEU A 38 0.898 2.044 0.928 1.00 0.00 C ATOM 483 O LEU A 38 1.349 2.679 -0.025 1.00 0.00 O ATOM 484 CB LEU A 38 2.298 0.076 1.556 1.00 0.00 C ATOM 485 CG LEU A 38 3.812 -0.153 1.582 1.00 0.00 C ATOM 486 CD1 LEU A 38 4.557 1.090 1.131 1.00 0.00 C ATOM 487 CD2 LEU A 38 4.258 -0.569 2.975 1.00 0.00 C ATOM 0 H LEU A 38 0.997 0.397 3.594 1.00 0.00 H new ATOM 0 HA LEU A 38 2.666 2.132 2.111 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.828 -0.669 2.198 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.942 -0.107 0.542 1.00 0.00 H new ATOM 0 HG LEU A 38 4.049 -0.957 0.885 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.630 0.901 1.159 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.259 1.344 0.114 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.317 1.919 1.797 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.336 -0.729 2.979 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.004 0.216 3.688 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.753 -1.493 3.258 1.00 0.00 H new ATOM 499 N GLU A 39 -0.387 1.812 1.102 1.00 0.00 N ATOM 500 CA GLU A 39 -1.396 2.295 0.163 1.00 0.00 C ATOM 501 C GLU A 39 -1.261 3.795 -0.062 1.00 0.00 C ATOM 502 O GLU A 39 -1.634 4.311 -1.116 1.00 0.00 O ATOM 503 CB GLU A 39 -2.799 1.965 0.669 1.00 0.00 C ATOM 504 CG GLU A 39 -3.293 0.603 0.215 1.00 0.00 C ATOM 505 CD GLU A 39 -2.845 -0.512 1.138 1.00 0.00 C ATOM 506 OE1 GLU A 39 -3.263 -0.513 2.314 1.00 0.00 O ATOM 507 OE2 GLU A 39 -2.075 -1.382 0.685 1.00 0.00 O ATOM 0 H GLU A 39 -0.766 1.288 1.890 1.00 0.00 H new ATOM 0 HA GLU A 39 -1.236 1.790 -0.789 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.803 2.001 1.758 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.493 2.730 0.322 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.382 0.613 0.164 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.928 0.405 -0.793 1.00 0.00 H new ATOM 514 N ARG A 40 -0.718 4.490 0.931 1.00 0.00 N ATOM 515 CA ARG A 40 -0.525 5.926 0.835 1.00 0.00 C ATOM 516 C ARG A 40 0.586 6.268 -0.157 1.00 0.00 C ATOM 517 O ARG A 40 0.826 7.438 -0.456 1.00 0.00 O ATOM 518 CB ARG A 40 -0.202 6.514 2.209 1.00 0.00 C ATOM 519 CG ARG A 40 -1.274 6.245 3.254 1.00 0.00 C ATOM 520 CD ARG A 40 -2.112 7.484 3.525 1.00 0.00 C ATOM 521 NE ARG A 40 -3.361 7.479 2.765 1.00 0.00 N ATOM 522 CZ ARG A 40 -4.281 8.437 2.844 1.00 0.00 C ATOM 523 NH1 ARG A 40 -4.099 9.478 3.647 1.00 0.00 N ATOM 524 NH2 ARG A 40 -5.388 8.354 2.117 1.00 0.00 N ATOM 0 H ARG A 40 -0.405 4.079 1.811 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.454 6.365 0.471 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.745 6.102 2.558 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.064 7.591 2.111 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.920 5.435 2.914 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.805 5.912 4.180 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.336 7.544 4.590 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.536 8.374 3.270 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.538 6.695 2.137 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.250 9.547 4.208 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.808 10.209 3.703 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.533 7.556 1.498 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.094 9.088 2.177 1.00 0.00 H new ATOM 538 N HIS A 41 1.259 5.239 -0.662 1.00 0.00 N ATOM 539 CA HIS A 41 2.342 5.422 -1.619 1.00 0.00 C ATOM 540 C HIS A 41 1.885 5.072 -3.030 1.00 0.00 C ATOM 541 O HIS A 41 2.296 5.705 -3.999 1.00 0.00 O ATOM 542 CB HIS A 41 3.537 4.552 -1.233 1.00 0.00 C ATOM 543 CG HIS A 41 4.240 5.013 0.003 1.00 0.00 C ATOM 544 ND1 HIS A 41 5.211 5.988 0.000 1.00 0.00 N ATOM 545 CD2 HIS A 41 4.102 4.628 1.291 1.00 0.00 C ATOM 546 CE1 HIS A 41 5.639 6.182 1.234 1.00 0.00 C ATOM 547 NE2 HIS A 41 4.978 5.371 2.039 1.00 0.00 N ATOM 0 H HIS A 41 1.071 4.266 -0.422 1.00 0.00 H new ATOM 0 HA HIS A 41 2.638 6.471 -1.600 1.00 0.00 H new ATOM 0 HB2 HIS A 41 3.197 3.527 -1.086 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.247 4.537 -2.060 1.00 0.00 H new ATOM 0 HD1 HIS A 41 5.547 6.483 -0.826 1.00 0.00 H new ATOM 0 HD2 HIS A 41 3.425 3.873 1.663 1.00 0.00 H new ATOM 0 HE1 HIS A 41 6.401 6.886 1.534 1.00 0.00 H new ATOM 556 N LEU A 42 1.030 4.059 -3.143 1.00 0.00 N ATOM 557 CA LEU A 42 0.521 3.628 -4.425 1.00 0.00 C ATOM 558 C LEU A 42 -0.136 4.773 -5.170 1.00 0.00 C ATOM 559 O LEU A 42 -0.916 5.538 -4.600 1.00 0.00 O ATOM 560 CB LEU A 42 -0.509 2.527 -4.214 1.00 0.00 C ATOM 561 CG LEU A 42 -0.024 1.097 -4.430 1.00 0.00 C ATOM 562 CD1 LEU A 42 -1.220 0.207 -4.702 1.00 0.00 C ATOM 563 CD2 LEU A 42 0.962 1.019 -5.588 1.00 0.00 C ATOM 0 H LEU A 42 0.678 3.523 -2.350 1.00 0.00 H new ATOM 0 HA LEU A 42 1.360 3.262 -5.017 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.893 2.608 -3.197 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.347 2.709 -4.887 1.00 0.00 H new ATOM 0 HG LEU A 42 0.493 0.761 -3.532 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.883 -0.818 -4.858 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.899 0.240 -3.850 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.739 0.558 -5.594 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.290 -0.012 -5.718 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.478 1.364 -6.502 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.825 1.650 -5.374 1.00 0.00 H new ATOM 575 N SER A 43 0.149 4.854 -6.459 1.00 0.00 N ATOM 576 CA SER A 43 -0.455 5.868 -7.291 1.00 0.00 C ATOM 577 C SER A 43 -1.889 5.481 -7.567 1.00 0.00 C ATOM 578 O SER A 43 -2.272 4.322 -7.402 1.00 0.00 O ATOM 579 CB SER A 43 0.292 6.032 -8.605 1.00 0.00 C ATOM 580 OG SER A 43 0.735 7.365 -8.788 1.00 0.00 O ATOM 0 H SER A 43 0.793 4.230 -6.946 1.00 0.00 H new ATOM 0 HA SER A 43 -0.411 6.821 -6.764 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.148 5.357 -8.625 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.358 5.747 -9.432 1.00 0.00 H new ATOM 0 HG SER A 43 -0.022 7.979 -8.684 1.00 0.00 H new ATOM 586 N ALA A 44 -2.677 6.440 -7.991 1.00 0.00 N ATOM 587 CA ALA A 44 -4.071 6.178 -8.295 1.00 0.00 C ATOM 588 C ALA A 44 -4.186 5.125 -9.384 1.00 0.00 C ATOM 589 O ALA A 44 -5.123 4.327 -9.401 1.00 0.00 O ATOM 590 CB ALA A 44 -4.769 7.456 -8.718 1.00 0.00 C ATOM 0 H ALA A 44 -2.382 7.406 -8.134 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.557 5.800 -7.396 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.814 7.243 -8.943 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.713 8.186 -7.910 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.282 7.860 -9.606 1.00 0.00 H new ATOM 596 N GLU A 45 -3.214 5.126 -10.282 1.00 0.00 N ATOM 597 CA GLU A 45 -3.176 4.179 -11.365 1.00 0.00 C ATOM 598 C GLU A 45 -2.762 2.813 -10.846 1.00 0.00 C ATOM 599 O GLU A 45 -3.029 1.792 -11.479 1.00 0.00 O ATOM 600 CB GLU A 45 -2.206 4.646 -12.450 1.00 0.00 C ATOM 601 CG GLU A 45 -2.787 5.708 -13.369 1.00 0.00 C ATOM 602 CD GLU A 45 -1.939 5.939 -14.605 1.00 0.00 C ATOM 603 OE1 GLU A 45 -1.312 4.971 -15.082 1.00 0.00 O ATOM 604 OE2 GLU A 45 -1.903 7.087 -15.094 1.00 0.00 O ATOM 0 H GLU A 45 -2.435 5.785 -10.274 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.173 4.106 -11.800 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.307 5.040 -11.977 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -1.902 3.787 -13.048 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.791 5.411 -13.672 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.884 6.644 -12.820 1.00 0.00 H new ATOM 611 N ASP A 46 -2.104 2.794 -9.686 1.00 0.00 N ATOM 612 CA ASP A 46 -1.665 1.552 -9.104 1.00 0.00 C ATOM 613 C ASP A 46 -2.694 1.000 -8.143 1.00 0.00 C ATOM 614 O ASP A 46 -3.000 -0.183 -8.189 1.00 0.00 O ATOM 615 CB ASP A 46 -0.322 1.697 -8.390 1.00 0.00 C ATOM 616 CG ASP A 46 0.829 1.909 -9.354 1.00 0.00 C ATOM 617 OD1 ASP A 46 1.003 1.071 -10.264 1.00 0.00 O ATOM 618 OD2 ASP A 46 1.554 2.914 -9.199 1.00 0.00 O ATOM 0 H ASP A 46 -1.871 3.626 -9.144 1.00 0.00 H new ATOM 0 HA ASP A 46 -1.539 0.852 -9.930 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.371 2.538 -7.698 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -0.133 0.804 -7.794 1.00 0.00 H new ATOM 623 N PHE A 47 -3.239 1.844 -7.271 1.00 0.00 N ATOM 624 CA PHE A 47 -4.239 1.366 -6.333 1.00 0.00 C ATOM 625 C PHE A 47 -5.407 0.773 -7.094 1.00 0.00 C ATOM 626 O PHE A 47 -5.824 -0.360 -6.859 1.00 0.00 O ATOM 627 CB PHE A 47 -4.724 2.489 -5.419 1.00 0.00 C ATOM 628 CG PHE A 47 -5.769 2.024 -4.453 1.00 0.00 C ATOM 629 CD1 PHE A 47 -7.053 1.743 -4.890 1.00 0.00 C ATOM 630 CD2 PHE A 47 -5.465 1.844 -3.115 1.00 0.00 C ATOM 631 CE1 PHE A 47 -8.014 1.296 -4.014 1.00 0.00 C ATOM 632 CE2 PHE A 47 -6.424 1.393 -2.231 1.00 0.00 C ATOM 633 CZ PHE A 47 -7.701 1.119 -2.683 1.00 0.00 C ATOM 0 H PHE A 47 -3.011 2.835 -7.197 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.783 0.599 -5.707 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.877 2.896 -4.867 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.128 3.299 -6.026 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -7.303 1.877 -5.932 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -4.468 2.058 -2.759 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -9.012 1.084 -4.368 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.177 1.255 -1.189 1.00 0.00 H new ATOM 0 HZ PHE A 47 -8.454 0.766 -1.994 1.00 0.00 H new ATOM 643 N SER A 48 -5.918 1.567 -8.005 1.00 0.00 N ATOM 644 CA SER A 48 -7.046 1.175 -8.838 1.00 0.00 C ATOM 645 C SER A 48 -6.782 -0.139 -9.556 1.00 0.00 C ATOM 646 O SER A 48 -7.699 -0.923 -9.800 1.00 0.00 O ATOM 647 CB SER A 48 -7.367 2.274 -9.853 1.00 0.00 C ATOM 648 OG SER A 48 -8.688 2.142 -10.346 1.00 0.00 O ATOM 0 H SER A 48 -5.568 2.506 -8.195 1.00 0.00 H new ATOM 0 HA SER A 48 -7.905 1.032 -8.183 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.246 3.251 -9.386 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.660 2.226 -10.681 1.00 0.00 H new ATOM 0 HG SER A 48 -8.869 2.857 -10.992 1.00 0.00 H new ATOM 654 N ARG A 49 -5.527 -0.373 -9.892 1.00 0.00 N ATOM 655 CA ARG A 49 -5.139 -1.587 -10.581 1.00 0.00 C ATOM 656 C ARG A 49 -4.676 -2.660 -9.604 1.00 0.00 C ATOM 657 O ARG A 49 -4.657 -3.850 -9.922 1.00 0.00 O ATOM 658 CB ARG A 49 -4.037 -1.294 -11.602 1.00 0.00 C ATOM 659 CG ARG A 49 -4.547 -1.173 -13.029 1.00 0.00 C ATOM 660 CD ARG A 49 -3.669 -0.251 -13.859 1.00 0.00 C ATOM 661 NE ARG A 49 -2.343 -0.818 -14.091 1.00 0.00 N ATOM 662 CZ ARG A 49 -1.477 -0.339 -14.981 1.00 0.00 C ATOM 663 NH1 ARG A 49 -1.794 0.716 -15.724 1.00 0.00 N ATOM 664 NH2 ARG A 49 -0.291 -0.913 -15.128 1.00 0.00 N ATOM 0 H ARG A 49 -4.756 0.266 -9.697 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.018 -1.965 -11.104 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.533 -0.368 -11.325 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.291 -2.088 -11.557 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.578 -2.160 -13.490 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -5.569 -0.793 -13.020 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.152 -0.056 -14.816 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.569 0.708 -13.351 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.064 -1.629 -13.538 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.704 1.162 -15.614 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.127 1.079 -16.405 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.042 -1.722 -14.559 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.372 -0.546 -15.810 1.00 0.00 H new ATOM 678 N VAL A 50 -4.286 -2.217 -8.425 1.00 0.00 N ATOM 679 CA VAL A 50 -3.793 -3.093 -7.383 1.00 0.00 C ATOM 680 C VAL A 50 -4.927 -3.717 -6.579 1.00 0.00 C ATOM 681 O VAL A 50 -4.916 -4.915 -6.298 1.00 0.00 O ATOM 682 CB VAL A 50 -2.850 -2.319 -6.443 1.00 0.00 C ATOM 683 CG1 VAL A 50 -2.702 -2.981 -5.082 1.00 0.00 C ATOM 684 CG2 VAL A 50 -1.494 -2.178 -7.096 1.00 0.00 C ATOM 0 H VAL A 50 -4.303 -1.232 -8.162 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.246 -3.902 -7.868 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.294 -1.338 -6.272 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.026 -2.392 -4.462 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.677 -3.042 -4.599 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.296 -3.985 -5.208 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.825 -1.630 -6.432 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.080 -3.167 -7.292 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.597 -1.635 -8.035 1.00 0.00 H new ATOM 694 N PHE A 51 -5.891 -2.893 -6.186 1.00 0.00 N ATOM 695 CA PHE A 51 -7.008 -3.367 -5.389 1.00 0.00 C ATOM 696 C PHE A 51 -8.308 -3.388 -6.188 1.00 0.00 C ATOM 697 O PHE A 51 -9.367 -3.722 -5.656 1.00 0.00 O ATOM 698 CB PHE A 51 -7.164 -2.490 -4.148 1.00 0.00 C ATOM 699 CG PHE A 51 -5.904 -2.394 -3.337 1.00 0.00 C ATOM 700 CD1 PHE A 51 -5.513 -3.444 -2.524 1.00 0.00 C ATOM 701 CD2 PHE A 51 -5.103 -1.263 -3.399 1.00 0.00 C ATOM 702 CE1 PHE A 51 -4.348 -3.369 -1.786 1.00 0.00 C ATOM 703 CE2 PHE A 51 -3.938 -1.181 -2.659 1.00 0.00 C ATOM 704 CZ PHE A 51 -3.559 -2.237 -1.850 1.00 0.00 C ATOM 0 H PHE A 51 -5.919 -1.898 -6.407 1.00 0.00 H new ATOM 0 HA PHE A 51 -6.795 -4.393 -5.088 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -7.471 -1.489 -4.453 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -7.962 -2.892 -3.524 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.126 -4.332 -2.466 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.393 -0.437 -4.032 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -4.053 -4.197 -1.158 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.325 -0.294 -2.713 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.650 -2.177 -1.271 1.00 0.00 H new ATOM 714 N ALA A 52 -8.225 -3.043 -7.470 1.00 0.00 N ATOM 715 CA ALA A 52 -9.391 -3.036 -8.337 1.00 0.00 C ATOM 716 C ALA A 52 -10.531 -2.239 -7.718 1.00 0.00 C ATOM 717 O ALA A 52 -11.696 -2.631 -7.791 1.00 0.00 O ATOM 718 CB ALA A 52 -9.803 -4.463 -8.614 1.00 0.00 C ATOM 0 H ALA A 52 -7.358 -2.764 -7.929 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.140 -2.547 -9.278 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -10.678 -4.469 -9.264 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -8.984 -4.990 -9.103 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.045 -4.961 -7.675 1.00 0.00 H new ATOM 724 N MET A 53 -10.176 -1.115 -7.112 1.00 0.00 N ATOM 725 CA MET A 53 -11.144 -0.241 -6.475 1.00 0.00 C ATOM 726 C MET A 53 -10.642 1.202 -6.528 1.00 0.00 C ATOM 727 O MET A 53 -9.543 1.454 -7.013 1.00 0.00 O ATOM 728 CB MET A 53 -11.417 -0.736 -5.043 1.00 0.00 C ATOM 729 CG MET A 53 -11.557 0.340 -3.978 1.00 0.00 C ATOM 730 SD MET A 53 -11.415 -0.330 -2.308 1.00 0.00 S ATOM 731 CE MET A 53 -9.902 -1.281 -2.439 1.00 0.00 C ATOM 0 H MET A 53 -9.212 -0.786 -7.049 1.00 0.00 H new ATOM 0 HA MET A 53 -12.096 -0.265 -7.006 1.00 0.00 H new ATOM 0 HB2 MET A 53 -12.331 -1.329 -5.054 1.00 0.00 H new ATOM 0 HB3 MET A 53 -10.607 -1.404 -4.751 1.00 0.00 H new ATOM 0 HG2 MET A 53 -10.790 1.100 -4.129 1.00 0.00 H new ATOM 0 HG3 MET A 53 -12.522 0.834 -4.088 1.00 0.00 H new ATOM 0 HE1 MET A 53 -9.283 -1.103 -1.560 1.00 0.00 H new ATOM 0 HE2 MET A 53 -10.144 -2.342 -2.504 1.00 0.00 H new ATOM 0 HE3 MET A 53 -9.358 -0.978 -3.333 1.00 0.00 H new ATOM 741 N SER A 54 -11.441 2.152 -6.056 1.00 0.00 N ATOM 742 CA SER A 54 -11.036 3.545 -6.099 1.00 0.00 C ATOM 743 C SER A 54 -10.118 3.890 -4.937 1.00 0.00 C ATOM 744 O SER A 54 -10.429 3.605 -3.784 1.00 0.00 O ATOM 745 CB SER A 54 -12.261 4.459 -6.092 1.00 0.00 C ATOM 746 OG SER A 54 -12.932 4.404 -4.849 1.00 0.00 O ATOM 0 H SER A 54 -12.359 1.984 -5.645 1.00 0.00 H new ATOM 0 HA SER A 54 -10.483 3.702 -7.025 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.954 5.485 -6.298 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.943 4.164 -6.890 1.00 0.00 H new ATOM 0 HG SER A 54 -13.769 4.910 -4.907 1.00 0.00 H new ATOM 752 N PRO A 55 -8.974 4.532 -5.222 1.00 0.00 N ATOM 753 CA PRO A 55 -8.027 4.941 -4.189 1.00 0.00 C ATOM 754 C PRO A 55 -8.765 5.556 -3.010 1.00 0.00 C ATOM 755 O PRO A 55 -8.432 5.344 -1.840 1.00 0.00 O ATOM 756 CB PRO A 55 -7.148 5.987 -4.899 1.00 0.00 C ATOM 757 CG PRO A 55 -7.768 6.188 -6.249 1.00 0.00 C ATOM 758 CD PRO A 55 -8.519 4.935 -6.552 1.00 0.00 C ATOM 0 HA PRO A 55 -7.446 4.112 -3.783 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.120 6.921 -4.338 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -6.119 5.638 -4.989 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.434 7.051 -6.247 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.005 6.377 -7.004 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.351 5.111 -7.233 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.884 4.179 -7.014 1.00 0.00 H new ATOM 766 N GLU A 56 -9.795 6.302 -3.357 1.00 0.00 N ATOM 767 CA GLU A 56 -10.646 6.957 -2.406 1.00 0.00 C ATOM 768 C GLU A 56 -11.463 5.941 -1.632 1.00 0.00 C ATOM 769 O GLU A 56 -11.611 6.049 -0.415 1.00 0.00 O ATOM 770 CB GLU A 56 -11.576 7.917 -3.129 1.00 0.00 C ATOM 771 CG GLU A 56 -12.179 7.367 -4.413 1.00 0.00 C ATOM 772 CD GLU A 56 -13.224 8.291 -5.005 1.00 0.00 C ATOM 773 OE1 GLU A 56 -14.080 8.787 -4.241 1.00 0.00 O ATOM 774 OE2 GLU A 56 -13.188 8.520 -6.233 1.00 0.00 O ATOM 0 H GLU A 56 -10.062 6.468 -4.327 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.023 7.510 -1.704 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.385 8.197 -2.454 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.026 8.829 -3.363 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.386 7.205 -5.143 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.630 6.395 -4.212 1.00 0.00 H new ATOM 781 N GLU A 57 -11.989 4.945 -2.345 1.00 0.00 N ATOM 782 CA GLU A 57 -12.776 3.903 -1.723 1.00 0.00 C ATOM 783 C GLU A 57 -12.075 3.445 -0.460 1.00 0.00 C ATOM 784 O GLU A 57 -12.691 3.226 0.580 1.00 0.00 O ATOM 785 CB GLU A 57 -12.975 2.736 -2.683 1.00 0.00 C ATOM 786 CG GLU A 57 -14.334 2.732 -3.366 1.00 0.00 C ATOM 787 CD GLU A 57 -15.357 1.889 -2.627 1.00 0.00 C ATOM 788 OE1 GLU A 57 -14.963 1.158 -1.695 1.00 0.00 O ATOM 789 OE2 GLU A 57 -16.552 1.963 -2.982 1.00 0.00 O ATOM 0 H GLU A 57 -11.879 4.846 -3.354 1.00 0.00 H new ATOM 0 HA GLU A 57 -13.761 4.294 -1.468 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.196 2.766 -3.444 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.850 1.802 -2.136 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -14.700 3.756 -3.444 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -14.224 2.355 -4.383 1.00 0.00 H new ATOM 796 N PHE A 58 -10.770 3.355 -0.579 1.00 0.00 N ATOM 797 CA PHE A 58 -9.907 2.970 0.522 1.00 0.00 C ATOM 798 C PHE A 58 -9.917 4.043 1.596 1.00 0.00 C ATOM 799 O PHE A 58 -10.037 3.746 2.785 1.00 0.00 O ATOM 800 CB PHE A 58 -8.478 2.750 0.030 1.00 0.00 C ATOM 801 CG PHE A 58 -7.863 1.486 0.551 1.00 0.00 C ATOM 802 CD1 PHE A 58 -8.448 0.264 0.287 1.00 0.00 C ATOM 803 CD2 PHE A 58 -6.707 1.518 1.309 1.00 0.00 C ATOM 804 CE1 PHE A 58 -7.894 -0.902 0.764 1.00 0.00 C ATOM 805 CE2 PHE A 58 -6.149 0.357 1.791 1.00 0.00 C ATOM 806 CZ PHE A 58 -6.743 -0.853 1.516 1.00 0.00 C ATOM 0 H PHE A 58 -10.271 3.548 -1.447 1.00 0.00 H new ATOM 0 HA PHE A 58 -10.283 2.038 0.943 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -8.475 2.726 -1.060 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -7.862 3.597 0.331 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -9.352 0.222 -0.302 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -6.237 2.466 1.525 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -8.361 -1.852 0.549 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.247 0.395 2.384 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.305 -1.766 1.891 1.00 0.00 H new ATOM 816 N GLY A 59 -9.796 5.297 1.169 1.00 0.00 N ATOM 817 CA GLY A 59 -9.802 6.396 2.115 1.00 0.00 C ATOM 818 C GLY A 59 -11.041 6.400 2.993 1.00 0.00 C ATOM 819 O GLY A 59 -11.060 7.037 4.045 1.00 0.00 O ATOM 0 H GLY A 59 -9.695 5.569 0.191 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.914 6.334 2.745 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.742 7.339 1.572 1.00 0.00 H new ATOM 823 N LYS A 60 -12.085 5.699 2.551 1.00 0.00 N ATOM 824 CA LYS A 60 -13.329 5.639 3.289 1.00 0.00 C ATOM 825 C LYS A 60 -13.527 4.296 3.992 1.00 0.00 C ATOM 826 O LYS A 60 -14.282 4.199 4.960 1.00 0.00 O ATOM 827 CB LYS A 60 -14.506 5.937 2.352 1.00 0.00 C ATOM 828 CG LYS A 60 -15.869 5.547 2.911 1.00 0.00 C ATOM 829 CD LYS A 60 -16.264 4.135 2.501 1.00 0.00 C ATOM 830 CE LYS A 60 -16.239 3.961 0.990 1.00 0.00 C ATOM 831 NZ LYS A 60 -17.064 2.803 0.550 1.00 0.00 N ATOM 0 H LYS A 60 -12.085 5.166 1.681 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.285 6.398 4.070 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -14.512 7.003 2.123 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.348 5.410 1.411 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -15.850 5.618 3.999 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -16.622 6.252 2.559 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.584 3.418 2.961 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -17.263 3.913 2.877 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -16.607 4.870 0.514 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -15.210 3.821 0.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -17.020 2.719 -0.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -16.698 1.931 0.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -18.051 2.948 0.844 1.00 0.00 H new ATOM 845 N LEU A 61 -12.858 3.268 3.500 1.00 0.00 N ATOM 846 CA LEU A 61 -12.969 1.930 4.075 1.00 0.00 C ATOM 847 C LEU A 61 -12.637 1.926 5.564 1.00 0.00 C ATOM 848 O LEU A 61 -12.403 2.973 6.167 1.00 0.00 O ATOM 849 CB LEU A 61 -12.029 0.965 3.357 1.00 0.00 C ATOM 850 CG LEU A 61 -12.468 0.528 1.962 1.00 0.00 C ATOM 851 CD1 LEU A 61 -11.293 -0.073 1.215 1.00 0.00 C ATOM 852 CD2 LEU A 61 -13.617 -0.464 2.045 1.00 0.00 C ATOM 0 H LEU A 61 -12.228 3.330 2.700 1.00 0.00 H new ATOM 0 HA LEU A 61 -14.003 1.610 3.948 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -11.048 1.433 3.279 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -11.910 0.075 3.976 1.00 0.00 H new ATOM 0 HG LEU A 61 -12.820 1.403 1.416 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -11.614 -0.383 0.220 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.500 0.670 1.126 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -10.919 -0.939 1.761 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -13.914 -0.762 1.039 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -13.299 -1.343 2.605 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -14.463 0.001 2.550 1.00 0.00 H new ATOM 864 N ALA A 62 -12.598 0.726 6.140 1.00 0.00 N ATOM 865 CA ALA A 62 -12.271 0.551 7.547 1.00 0.00 C ATOM 866 C ALA A 62 -10.816 0.137 7.691 1.00 0.00 C ATOM 867 O ALA A 62 -10.049 0.214 6.734 1.00 0.00 O ATOM 868 CB ALA A 62 -13.182 -0.496 8.176 1.00 0.00 C ATOM 0 H ALA A 62 -12.791 -0.145 5.645 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.423 1.498 8.065 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.926 -0.616 9.229 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -14.220 -0.174 8.090 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -13.053 -1.448 7.660 1.00 0.00 H new ATOM 874 N LEU A 63 -10.444 -0.314 8.877 1.00 0.00 N ATOM 875 CA LEU A 63 -9.077 -0.757 9.120 1.00 0.00 C ATOM 876 C LEU A 63 -8.939 -2.241 8.818 1.00 0.00 C ATOM 877 O LEU A 63 -7.859 -2.732 8.485 1.00 0.00 O ATOM 878 CB LEU A 63 -8.662 -0.470 10.565 1.00 0.00 C ATOM 879 CG LEU A 63 -7.303 0.213 10.726 1.00 0.00 C ATOM 880 CD1 LEU A 63 -6.194 -0.673 10.178 1.00 0.00 C ATOM 881 CD2 LEU A 63 -7.300 1.566 10.031 1.00 0.00 C ATOM 0 H LEU A 63 -11.064 -0.384 9.684 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.416 -0.201 8.456 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.424 0.158 11.028 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.646 -1.410 11.116 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.121 0.374 11.789 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.234 -0.172 10.300 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.182 -1.618 10.721 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.371 -0.865 9.120 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.325 2.037 10.156 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.504 1.430 8.969 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.069 2.202 10.469 1.00 0.00 H new ATOM 893 N TRP A 64 -10.049 -2.943 8.941 1.00 0.00 N ATOM 894 CA TRP A 64 -10.098 -4.363 8.698 1.00 0.00 C ATOM 895 C TRP A 64 -10.176 -4.666 7.208 1.00 0.00 C ATOM 896 O TRP A 64 -9.320 -5.367 6.667 1.00 0.00 O ATOM 897 CB TRP A 64 -11.290 -4.977 9.436 1.00 0.00 C ATOM 898 CG TRP A 64 -12.586 -4.265 9.174 1.00 0.00 C ATOM 899 CD1 TRP A 64 -13.056 -3.141 9.791 1.00 0.00 C ATOM 900 CD2 TRP A 64 -13.581 -4.635 8.218 1.00 0.00 C ATOM 901 NE1 TRP A 64 -14.284 -2.800 9.270 1.00 0.00 N ATOM 902 CE2 TRP A 64 -14.625 -3.702 8.311 1.00 0.00 C ATOM 903 CE3 TRP A 64 -13.685 -5.666 7.296 1.00 0.00 C ATOM 904 CZ2 TRP A 64 -15.761 -3.773 7.517 1.00 0.00 C ATOM 905 CZ3 TRP A 64 -14.813 -5.741 6.502 1.00 0.00 C ATOM 906 CH2 TRP A 64 -15.840 -4.796 6.621 1.00 0.00 C ATOM 0 H TRP A 64 -10.944 -2.538 9.214 1.00 0.00 H new ATOM 0 HA TRP A 64 -9.178 -4.808 9.077 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -11.392 -6.021 9.141 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -11.089 -4.967 10.507 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -12.541 -2.600 10.571 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -14.847 -2.000 9.557 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -12.897 -6.398 7.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -16.553 -3.044 7.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -14.904 -6.539 5.780 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -16.712 -4.880 5.990 1.00 0.00 H new ATOM 917 N LYS A 65 -11.194 -4.129 6.542 1.00 0.00 N ATOM 918 CA LYS A 65 -11.354 -4.346 5.115 1.00 0.00 C ATOM 919 C LYS A 65 -10.106 -3.869 4.390 1.00 0.00 C ATOM 920 O LYS A 65 -9.644 -4.495 3.437 1.00 0.00 O ATOM 921 CB LYS A 65 -12.608 -3.641 4.581 1.00 0.00 C ATOM 922 CG LYS A 65 -12.858 -2.264 5.163 1.00 0.00 C ATOM 923 CD LYS A 65 -14.326 -2.078 5.532 1.00 0.00 C ATOM 924 CE LYS A 65 -14.962 -0.932 4.761 1.00 0.00 C ATOM 925 NZ LYS A 65 -15.906 -0.149 5.607 1.00 0.00 N ATOM 0 H LYS A 65 -11.914 -3.545 6.967 1.00 0.00 H new ATOM 0 HA LYS A 65 -11.486 -5.413 4.933 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -12.525 -3.553 3.498 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -13.475 -4.269 4.784 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -12.237 -2.122 6.048 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -12.563 -1.502 4.441 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -14.871 -3.000 5.329 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -14.410 -1.887 6.602 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -14.182 -0.272 4.382 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -15.493 -1.328 3.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -16.418 0.535 5.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -16.586 -0.795 6.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -15.374 0.360 6.341 1.00 0.00 H new ATOM 939 N ARG A 66 -9.544 -2.772 4.883 1.00 0.00 N ATOM 940 CA ARG A 66 -8.327 -2.223 4.330 1.00 0.00 C ATOM 941 C ARG A 66 -7.198 -3.232 4.481 1.00 0.00 C ATOM 942 O ARG A 66 -6.392 -3.421 3.572 1.00 0.00 O ATOM 943 CB ARG A 66 -7.975 -0.933 5.064 1.00 0.00 C ATOM 944 CG ARG A 66 -8.389 0.327 4.322 1.00 0.00 C ATOM 945 CD ARG A 66 -7.438 1.477 4.605 1.00 0.00 C ATOM 946 NE ARG A 66 -6.044 1.062 4.496 1.00 0.00 N ATOM 947 CZ ARG A 66 -5.008 1.869 4.709 1.00 0.00 C ATOM 948 NH1 ARG A 66 -5.203 3.137 5.047 1.00 0.00 N ATOM 949 NH2 ARG A 66 -3.771 1.406 4.585 1.00 0.00 N ATOM 0 H ARG A 66 -9.921 -2.246 5.672 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.470 -2.006 3.271 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.454 -0.941 6.043 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.899 -0.906 5.236 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.413 0.128 3.251 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.400 0.608 4.617 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.632 2.290 3.905 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.625 1.866 5.606 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.852 0.093 4.241 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.152 3.499 5.145 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.404 3.750 5.209 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.615 0.432 4.326 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.976 2.024 4.748 1.00 0.00 H new ATOM 963 N ASN A 67 -7.151 -3.883 5.646 1.00 0.00 N ATOM 964 CA ASN A 67 -6.137 -4.870 5.926 1.00 0.00 C ATOM 965 C ASN A 67 -6.280 -6.077 5.001 1.00 0.00 C ATOM 966 O ASN A 67 -5.292 -6.581 4.467 1.00 0.00 O ATOM 967 CB ASN A 67 -6.242 -5.299 7.385 1.00 0.00 C ATOM 968 CG ASN A 67 -5.276 -4.549 8.282 1.00 0.00 C ATOM 969 OD1 ASN A 67 -4.126 -4.308 7.913 1.00 0.00 O ATOM 970 ND2 ASN A 67 -5.741 -4.167 9.467 1.00 0.00 N ATOM 0 H ASN A 67 -7.814 -3.734 6.407 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.156 -4.431 5.748 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.261 -5.135 7.736 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.047 -6.369 7.461 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.138 -3.654 10.110 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.701 -4.387 9.733 1.00 0.00 H new ATOM 977 N GLU A 68 -7.517 -6.538 4.814 1.00 0.00 N ATOM 978 CA GLU A 68 -7.778 -7.682 3.956 1.00 0.00 C ATOM 979 C GLU A 68 -7.427 -7.370 2.509 1.00 0.00 C ATOM 980 O GLU A 68 -7.051 -8.253 1.737 1.00 0.00 O ATOM 981 CB GLU A 68 -9.244 -8.109 4.062 1.00 0.00 C ATOM 982 CG GLU A 68 -9.729 -8.271 5.494 1.00 0.00 C ATOM 983 CD GLU A 68 -10.323 -9.642 5.757 1.00 0.00 C ATOM 984 OE1 GLU A 68 -10.950 -10.204 4.835 1.00 0.00 O ATOM 985 OE2 GLU A 68 -10.163 -10.151 6.886 1.00 0.00 O ATOM 0 H GLU A 68 -8.348 -6.135 5.246 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.147 -8.504 4.292 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.866 -7.370 3.558 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -9.378 -9.053 3.533 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.896 -8.103 6.177 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.477 -7.508 5.709 1.00 0.00 H new ATOM 992 N LEU A 69 -7.561 -6.107 2.157 1.00 0.00 N ATOM 993 CA LEU A 69 -7.272 -5.639 0.808 1.00 0.00 C ATOM 994 C LEU A 69 -5.782 -5.407 0.610 1.00 0.00 C ATOM 995 O LEU A 69 -5.176 -5.931 -0.321 1.00 0.00 O ATOM 996 CB LEU A 69 -8.044 -4.352 0.543 1.00 0.00 C ATOM 997 CG LEU A 69 -9.529 -4.569 0.288 1.00 0.00 C ATOM 998 CD1 LEU A 69 -10.320 -3.294 0.529 1.00 0.00 C ATOM 999 CD2 LEU A 69 -9.731 -5.080 -1.126 1.00 0.00 C ATOM 0 H LEU A 69 -7.873 -5.374 2.794 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.584 -6.407 0.101 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.925 -3.685 1.397 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.607 -3.848 -0.319 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.902 -5.315 0.990 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.377 -3.480 0.339 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.188 -2.974 1.563 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.963 -2.512 -0.141 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.794 -5.235 -1.308 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.344 -4.349 -1.836 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.200 -6.024 -1.251 1.00 0.00 H new ATOM 1011 N LYS A 70 -5.198 -4.618 1.495 1.00 0.00 N ATOM 1012 CA LYS A 70 -3.782 -4.312 1.431 1.00 0.00 C ATOM 1013 C LYS A 70 -2.959 -5.589 1.345 1.00 0.00 C ATOM 1014 O LYS A 70 -1.896 -5.617 0.724 1.00 0.00 O ATOM 1015 CB LYS A 70 -3.389 -3.472 2.652 1.00 0.00 C ATOM 1016 CG LYS A 70 -2.684 -4.245 3.758 1.00 0.00 C ATOM 1017 CD LYS A 70 -2.884 -3.585 5.112 1.00 0.00 C ATOM 1018 CE LYS A 70 -1.771 -2.596 5.422 1.00 0.00 C ATOM 1019 NZ LYS A 70 -2.284 -1.383 6.119 1.00 0.00 N ATOM 0 H LYS A 70 -5.689 -4.175 2.272 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.576 -3.735 0.530 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.739 -2.661 2.324 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.288 -3.013 3.064 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.065 -5.266 3.790 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.619 -4.309 3.537 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.844 -3.070 5.128 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.919 -4.349 5.888 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.018 -3.080 6.043 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.279 -2.301 4.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.622 -1.110 6.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.374 -0.603 5.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.215 -1.589 6.534 1.00 0.00 H new ATOM 1033 N LYS A 71 -3.463 -6.647 1.961 1.00 0.00 N ATOM 1034 CA LYS A 71 -2.783 -7.924 1.939 1.00 0.00 C ATOM 1035 C LYS A 71 -2.910 -8.562 0.565 1.00 0.00 C ATOM 1036 O LYS A 71 -2.064 -9.359 0.157 1.00 0.00 O ATOM 1037 CB LYS A 71 -3.324 -8.839 3.045 1.00 0.00 C ATOM 1038 CG LYS A 71 -3.303 -10.322 2.703 1.00 0.00 C ATOM 1039 CD LYS A 71 -4.590 -10.753 2.017 1.00 0.00 C ATOM 1040 CE LYS A 71 -5.801 -10.553 2.916 1.00 0.00 C ATOM 1041 NZ LYS A 71 -5.673 -11.301 4.197 1.00 0.00 N ATOM 0 H LYS A 71 -4.340 -6.642 2.481 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.722 -7.768 2.135 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.738 -8.679 3.950 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.349 -8.546 3.273 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.454 -10.535 2.053 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.162 -10.905 3.613 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.721 -10.182 1.098 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.517 -11.803 1.733 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.925 -9.491 3.127 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.699 -10.881 2.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.594 -11.322 4.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.363 -12.274 4.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.973 -10.830 4.805 1.00 0.00 H new ATOM 1055 N LYS A 72 -3.952 -8.184 -0.156 1.00 0.00 N ATOM 1056 CA LYS A 72 -4.163 -8.689 -1.491 1.00 0.00 C ATOM 1057 C LYS A 72 -3.077 -8.151 -2.402 1.00 0.00 C ATOM 1058 O LYS A 72 -2.645 -8.808 -3.348 1.00 0.00 O ATOM 1059 CB LYS A 72 -5.549 -8.306 -2.015 1.00 0.00 C ATOM 1060 CG LYS A 72 -6.511 -9.480 -2.100 1.00 0.00 C ATOM 1061 CD LYS A 72 -7.835 -9.171 -1.415 1.00 0.00 C ATOM 1062 CE LYS A 72 -8.028 -10.016 -0.166 1.00 0.00 C ATOM 1063 NZ LYS A 72 -9.100 -9.470 0.712 1.00 0.00 N ATOM 0 H LYS A 72 -4.663 -7.528 0.166 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.114 -9.778 -1.471 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.976 -7.543 -1.365 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.444 -7.860 -3.004 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.691 -9.728 -3.146 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.058 -10.357 -1.638 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.870 -8.114 -1.149 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.656 -9.353 -2.109 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.279 -11.037 -0.453 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.091 -10.062 0.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.704 -10.247 1.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.670 -8.990 1.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.676 -8.790 0.175 1.00 0.00 H new ATOM 1077 N ALA A 73 -2.633 -6.945 -2.082 1.00 0.00 N ATOM 1078 CA ALA A 73 -1.588 -6.285 -2.826 1.00 0.00 C ATOM 1079 C ALA A 73 -0.214 -6.589 -2.232 1.00 0.00 C ATOM 1080 O ALA A 73 0.813 -6.292 -2.844 1.00 0.00 O ATOM 1081 CB ALA A 73 -1.840 -4.789 -2.846 1.00 0.00 C ATOM 0 H ALA A 73 -2.992 -6.401 -1.297 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.598 -6.663 -3.848 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.049 -4.294 -3.409 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.801 -4.588 -3.319 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.851 -4.408 -1.825 1.00 0.00 H new ATOM 1087 N SER A 74 -0.199 -7.179 -1.031 1.00 0.00 N ATOM 1088 CA SER A 74 1.050 -7.515 -0.351 1.00 0.00 C ATOM 1089 C SER A 74 1.667 -6.280 0.297 1.00 0.00 C ATOM 1090 O SER A 74 2.839 -6.286 0.673 1.00 0.00 O ATOM 1091 CB SER A 74 2.048 -8.151 -1.325 1.00 0.00 C ATOM 1092 OG SER A 74 2.744 -9.224 -0.714 1.00 0.00 O ATOM 0 H SER A 74 -1.040 -7.432 -0.513 1.00 0.00 H new ATOM 0 HA SER A 74 0.817 -8.238 0.431 1.00 0.00 H new ATOM 0 HB2 SER A 74 1.520 -8.512 -2.208 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.760 -7.398 -1.665 1.00 0.00 H new ATOM 0 HG SER A 74 3.373 -9.614 -1.356 1.00 0.00 H new ATOM 1098 N LEU A 75 0.869 -5.224 0.434 1.00 0.00 N ATOM 1099 CA LEU A 75 1.336 -3.987 1.045 1.00 0.00 C ATOM 1100 C LEU A 75 1.220 -4.050 2.568 1.00 0.00 C ATOM 1101 O LEU A 75 1.719 -3.174 3.274 1.00 0.00 O ATOM 1102 CB LEU A 75 0.542 -2.795 0.498 1.00 0.00 C ATOM 1103 CG LEU A 75 0.518 -2.669 -1.028 1.00 0.00 C ATOM 1104 CD1 LEU A 75 0.237 -1.235 -1.451 1.00 0.00 C ATOM 1105 CD2 LEU A 75 1.829 -3.153 -1.624 1.00 0.00 C ATOM 0 H LEU A 75 -0.104 -5.202 0.129 1.00 0.00 H new ATOM 0 HA LEU A 75 2.388 -3.857 0.792 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.485 -2.869 0.856 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.960 -1.879 0.915 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.288 -3.298 -1.407 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.225 -1.172 -2.539 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.731 -0.923 -1.059 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.015 -0.581 -1.058 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.793 -3.056 -2.709 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.650 -2.552 -1.233 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.985 -4.198 -1.358 1.00 0.00 H new ATOM 1117 N PHE A 76 0.563 -5.096 3.069 1.00 0.00 N ATOM 1118 CA PHE A 76 0.388 -5.273 4.504 1.00 0.00 C ATOM 1119 C PHE A 76 1.738 -5.327 5.215 1.00 0.00 C ATOM 1120 O PHE A 76 2.564 -6.188 4.848 1.00 0.00 O ATOM 1121 CB PHE A 76 -0.407 -6.551 4.790 1.00 0.00 C ATOM 1122 CG PHE A 76 -1.129 -6.536 6.109 1.00 0.00 C ATOM 1123 CD1 PHE A 76 -0.447 -6.277 7.287 1.00 0.00 C ATOM 1124 CD2 PHE A 76 -2.493 -6.784 6.171 1.00 0.00 C ATOM 1125 CE1 PHE A 76 -1.110 -6.265 8.501 1.00 0.00 C ATOM 1126 CE2 PHE A 76 -3.159 -6.774 7.382 1.00 0.00 C ATOM 1127 CZ PHE A 76 -2.467 -6.513 8.547 1.00 0.00 C ATOM 1128 OXT PHE A 76 1.956 -4.506 6.131 1.00 0.00 O ATOM 0 H PHE A 76 0.145 -5.832 2.500 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.168 -4.416 4.885 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.133 -6.702 3.991 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.273 -7.403 4.768 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.615 -6.082 7.257 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -3.040 -6.987 5.262 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.566 -6.062 9.412 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.220 -6.970 7.417 1.00 0.00 H new ATOM 0 HZ PHE A 76 -2.987 -6.503 9.494 1.00 0.00 H new