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 Set 1.1: A 71 LYS NZ :NH3+ -174:sc= -1.34 (180deg=-0.474) USER MOD Set 1.2: A 72 LYS NZ :NH3+ -172:sc= -0.7 (180deg=0) USER MOD Single : A 12 GLN :FLIP amide:sc= 0.0772 F(o=-1.1,f=0.077) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot -31:sc= 1.15 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl -132:sc= 0 (180deg=-0.0206) USER MOD Single : A 41 HIS : no HE2:sc= -9.92! C(o=-9.9!,f=-14!) USER MOD Single : A 43 SER OG : rot 180:sc= -4.87! USER MOD Single : A 48 SER OG : rot -29:sc= 0.32 USER MOD Single : A 53 MET CE :methyl 178:sc= -7.72! (180deg=-7.9!) USER MOD Single : A 54 SER OG : rot 180:sc= -2.4 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -129:sc= -0.0179 (180deg=-0.739) USER MOD Single : A 67 ASN : amide:sc= -3.52! C(o=-3.5!,f=-7.4!) USER MOD Single : A 70 LYS NZ :NH3+ -165:sc= -0.473 (180deg=-1.39!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 22 N LEU A 11 2.672 10.873 2.033 1.00 0.00 N ATOM 23 CA LEU A 11 3.859 10.202 1.528 1.00 0.00 C ATOM 24 C LEU A 11 3.901 10.241 0.004 1.00 0.00 C ATOM 25 O LEU A 11 2.874 10.099 -0.659 1.00 0.00 O ATOM 26 CB LEU A 11 3.900 8.753 2.017 1.00 0.00 C ATOM 27 CG LEU A 11 3.381 8.537 3.442 1.00 0.00 C ATOM 28 CD1 LEU A 11 1.956 8.005 3.417 1.00 0.00 C ATOM 29 CD2 LEU A 11 4.295 7.590 4.209 1.00 0.00 C ATOM 0 HA LEU A 11 4.733 10.730 1.909 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.312 8.138 1.335 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.928 8.396 1.963 1.00 0.00 H new ATOM 0 HG LEU A 11 3.379 9.499 3.955 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.605 7.858 4.438 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.309 8.721 2.910 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.932 7.054 2.884 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.909 7.450 5.219 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.333 6.628 3.698 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.298 8.014 4.260 1.00 0.00 H new ATOM 41 N GLN A 12 5.095 10.445 -0.544 1.00 0.00 N ATOM 42 CA GLN A 12 5.275 10.514 -1.985 1.00 0.00 C ATOM 43 C GLN A 12 4.814 9.232 -2.671 1.00 0.00 C ATOM 44 O GLN A 12 5.098 8.127 -2.208 1.00 0.00 O ATOM 45 CB GLN A 12 6.740 10.788 -2.320 1.00 0.00 C ATOM 46 CG GLN A 12 6.929 11.925 -3.307 1.00 0.00 C ATOM 47 CD GLN A 12 6.646 11.506 -4.738 1.00 0.00 C ATOM 48 OE1 GLN A 12 5.384 11.597 -5.144 1.00 0.00 O flip ATOM 49 NE2 GLN A 12 7.551 11.106 -5.471 1.00 0.00 N flip ATOM 0 H GLN A 12 5.954 10.566 -0.007 1.00 0.00 H new ATOM 0 HA GLN A 12 4.659 11.333 -2.357 1.00 0.00 H new ATOM 0 HB2 GLN A 12 7.278 11.021 -1.401 1.00 0.00 H new ATOM 0 HB3 GLN A 12 7.187 9.882 -2.730 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.270 12.750 -3.036 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.951 12.297 -3.236 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.507 11.052 -5.118 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.345 10.829 -6.431 1.00 0.00 H new ATOM 58 N ILE A 13 4.099 9.395 -3.778 1.00 0.00 N ATOM 59 CA ILE A 13 3.588 8.271 -4.544 1.00 0.00 C ATOM 60 C ILE A 13 4.709 7.491 -5.222 1.00 0.00 C ATOM 61 O ILE A 13 5.611 8.073 -5.824 1.00 0.00 O ATOM 62 CB ILE A 13 2.617 8.767 -5.625 1.00 0.00 C ATOM 63 CG1 ILE A 13 1.524 9.629 -4.992 1.00 0.00 C ATOM 64 CG2 ILE A 13 2.020 7.599 -6.397 1.00 0.00 C ATOM 65 CD1 ILE A 13 0.471 8.830 -4.258 1.00 0.00 C ATOM 0 H ILE A 13 3.859 10.307 -4.166 1.00 0.00 H new ATOM 0 HA ILE A 13 3.076 7.612 -3.843 1.00 0.00 H new ATOM 0 HB ILE A 13 3.170 9.381 -6.336 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.984 10.332 -4.298 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.042 10.220 -5.771 1.00 0.00 H new ATOM 0 HG21 ILE A 13 1.336 7.977 -7.157 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.819 7.034 -6.877 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.477 6.949 -5.711 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.271 9.508 -3.835 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.016 8.146 -4.953 1.00 0.00 H new ATOM 0 HD13 ILE A 13 0.940 8.260 -3.456 1.00 0.00 H new ATOM 77 N TYR A 14 4.628 6.169 -5.133 1.00 0.00 N ATOM 78 CA TYR A 14 5.615 5.293 -5.748 1.00 0.00 C ATOM 79 C TYR A 14 4.927 4.312 -6.692 1.00 0.00 C ATOM 80 O TYR A 14 3.795 3.897 -6.444 1.00 0.00 O ATOM 81 CB TYR A 14 6.395 4.531 -4.676 1.00 0.00 C ATOM 82 CG TYR A 14 7.052 5.428 -3.650 1.00 0.00 C ATOM 83 CD1 TYR A 14 7.504 6.695 -3.992 1.00 0.00 C ATOM 84 CD2 TYR A 14 7.221 5.002 -2.340 1.00 0.00 C ATOM 85 CE1 TYR A 14 8.107 7.514 -3.057 1.00 0.00 C ATOM 86 CE2 TYR A 14 7.822 5.815 -1.398 1.00 0.00 C ATOM 87 CZ TYR A 14 8.263 7.070 -1.761 1.00 0.00 C ATOM 88 OH TYR A 14 8.862 7.882 -0.826 1.00 0.00 O ATOM 0 H TYR A 14 3.884 5.679 -4.637 1.00 0.00 H new ATOM 0 HA TYR A 14 6.315 5.903 -6.319 1.00 0.00 H new ATOM 0 HB2 TYR A 14 5.719 3.845 -4.166 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.161 3.924 -5.159 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.382 7.046 -5.006 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.877 4.019 -2.052 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.454 8.497 -3.340 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.946 5.469 -0.382 1.00 0.00 H new ATOM 0 HH TYR A 14 8.893 7.419 0.037 1.00 0.00 H new ATOM 98 N PRO A 15 5.590 3.931 -7.798 1.00 0.00 N ATOM 99 CA PRO A 15 5.018 3.002 -8.780 1.00 0.00 C ATOM 100 C PRO A 15 4.894 1.574 -8.252 1.00 0.00 C ATOM 101 O PRO A 15 5.330 0.628 -8.905 1.00 0.00 O ATOM 102 CB PRO A 15 6.007 3.051 -9.957 1.00 0.00 C ATOM 103 CG PRO A 15 6.903 4.215 -9.684 1.00 0.00 C ATOM 104 CD PRO A 15 6.931 4.378 -8.193 1.00 0.00 C ATOM 0 HA PRO A 15 4.001 3.291 -9.047 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.578 2.125 -10.027 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.482 3.175 -10.904 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.904 4.036 -10.075 1.00 0.00 H new ATOM 0 HG3 PRO A 15 6.528 5.117 -10.168 1.00 0.00 H new ATOM 0 HD2 PRO A 15 7.712 3.772 -7.733 1.00 0.00 H new ATOM 0 HD3 PRO A 15 7.116 5.412 -7.901 1.00 0.00 H new ATOM 112 N TYR A 16 4.276 1.426 -7.080 1.00 0.00 N ATOM 113 CA TYR A 16 4.069 0.110 -6.467 1.00 0.00 C ATOM 114 C TYR A 16 5.365 -0.678 -6.330 1.00 0.00 C ATOM 115 O TYR A 16 5.892 -0.852 -5.232 1.00 0.00 O ATOM 116 CB TYR A 16 3.054 -0.695 -7.284 1.00 0.00 C ATOM 117 CG TYR A 16 2.684 -2.031 -6.671 1.00 0.00 C ATOM 118 CD1 TYR A 16 2.168 -2.112 -5.382 1.00 0.00 C ATOM 119 CD2 TYR A 16 2.841 -3.212 -7.388 1.00 0.00 C ATOM 120 CE1 TYR A 16 1.817 -3.328 -4.827 1.00 0.00 C ATOM 121 CE2 TYR A 16 2.496 -4.433 -6.837 1.00 0.00 C ATOM 122 CZ TYR A 16 1.983 -4.485 -5.558 1.00 0.00 C ATOM 123 OH TYR A 16 1.632 -5.697 -5.007 1.00 0.00 O ATOM 0 H TYR A 16 3.908 2.204 -6.533 1.00 0.00 H new ATOM 0 HA TYR A 16 3.684 0.280 -5.461 1.00 0.00 H new ATOM 0 HB2 TYR A 16 2.149 -0.100 -7.406 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.460 -0.865 -8.281 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.039 -1.209 -4.804 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.239 -3.175 -8.391 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.415 -3.372 -3.826 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.628 -5.341 -7.406 1.00 0.00 H new ATOM 0 HH TYR A 16 1.767 -5.667 -4.037 1.00 0.00 H new ATOM 133 N GLU A 17 5.856 -1.156 -7.455 1.00 0.00 N ATOM 134 CA GLU A 17 7.083 -1.945 -7.512 1.00 0.00 C ATOM 135 C GLU A 17 8.199 -1.293 -6.705 1.00 0.00 C ATOM 136 O GLU A 17 9.098 -1.972 -6.208 1.00 0.00 O ATOM 137 CB GLU A 17 7.528 -2.125 -8.964 1.00 0.00 C ATOM 138 CG GLU A 17 7.514 -0.836 -9.769 1.00 0.00 C ATOM 139 CD GLU A 17 8.736 -0.685 -10.652 1.00 0.00 C ATOM 140 OE1 GLU A 17 8.993 -1.591 -11.472 1.00 0.00 O ATOM 141 OE2 GLU A 17 9.438 0.341 -10.524 1.00 0.00 O ATOM 0 H GLU A 17 5.417 -1.011 -8.364 1.00 0.00 H new ATOM 0 HA GLU A 17 6.873 -2.921 -7.075 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.535 -2.541 -8.978 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.876 -2.853 -9.447 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.618 -0.809 -10.388 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.456 0.013 -9.087 1.00 0.00 H new ATOM 148 N MET A 18 8.131 0.025 -6.571 1.00 0.00 N ATOM 149 CA MET A 18 9.132 0.762 -5.814 1.00 0.00 C ATOM 150 C MET A 18 9.147 0.284 -4.366 1.00 0.00 C ATOM 151 O MET A 18 10.153 0.397 -3.666 1.00 0.00 O ATOM 152 CB MET A 18 8.850 2.266 -5.872 1.00 0.00 C ATOM 153 CG MET A 18 9.845 3.037 -6.723 1.00 0.00 C ATOM 154 SD MET A 18 11.467 3.168 -5.948 1.00 0.00 S ATOM 155 CE MET A 18 11.816 4.909 -6.186 1.00 0.00 C ATOM 0 H MET A 18 7.395 0.604 -6.976 1.00 0.00 H new ATOM 0 HA MET A 18 10.110 0.578 -6.258 1.00 0.00 H new ATOM 0 HB2 MET A 18 7.847 2.424 -6.267 1.00 0.00 H new ATOM 0 HB3 MET A 18 8.861 2.669 -4.859 1.00 0.00 H new ATOM 0 HG2 MET A 18 9.948 2.545 -7.690 1.00 0.00 H new ATOM 0 HG3 MET A 18 9.456 4.037 -6.914 1.00 0.00 H new ATOM 0 HE1 MET A 18 12.790 5.147 -5.758 1.00 0.00 H new ATOM 0 HE2 MET A 18 11.823 5.136 -7.252 1.00 0.00 H new ATOM 0 HE3 MET A 18 11.048 5.505 -5.693 1.00 0.00 H new ATOM 165 N LEU A 19 8.014 -0.254 -3.937 1.00 0.00 N ATOM 166 CA LEU A 19 7.852 -0.768 -2.587 1.00 0.00 C ATOM 167 C LEU A 19 7.819 -2.291 -2.604 1.00 0.00 C ATOM 168 O LEU A 19 8.350 -2.952 -1.712 1.00 0.00 O ATOM 169 CB LEU A 19 6.546 -0.243 -1.999 1.00 0.00 C ATOM 170 CG LEU A 19 6.355 1.273 -2.077 1.00 0.00 C ATOM 171 CD1 LEU A 19 4.911 1.608 -2.430 1.00 0.00 C ATOM 172 CD2 LEU A 19 6.757 1.930 -0.762 1.00 0.00 C ATOM 0 H LEU A 19 7.180 -0.346 -4.518 1.00 0.00 H new ATOM 0 HA LEU A 19 8.693 -0.437 -1.978 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.715 -0.724 -2.515 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.490 -0.546 -0.953 1.00 0.00 H new ATOM 0 HG LEU A 19 7.000 1.665 -2.864 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.791 2.690 -2.482 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.661 1.168 -3.396 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.247 1.205 -1.665 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.615 3.008 -0.836 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.139 1.537 0.045 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.805 1.716 -0.554 1.00 0.00 H new ATOM 380 N GLY A 32 10.733 7.563 4.065 1.00 0.00 N ATOM 381 CA GLY A 32 9.436 7.923 4.608 1.00 0.00 C ATOM 382 C GLY A 32 8.325 7.005 4.134 1.00 0.00 C ATOM 383 O GLY A 32 7.407 7.441 3.441 1.00 0.00 O ATOM 0 HA2 GLY A 32 9.483 7.897 5.697 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.200 8.948 4.324 1.00 0.00 H new ATOM 387 N VAL A 33 8.407 5.732 4.511 1.00 0.00 N ATOM 388 CA VAL A 33 7.412 4.756 4.133 1.00 0.00 C ATOM 389 C VAL A 33 6.706 4.193 5.344 1.00 0.00 C ATOM 390 O VAL A 33 7.254 4.152 6.446 1.00 0.00 O ATOM 391 CB VAL A 33 8.018 3.623 3.301 1.00 0.00 C ATOM 392 CG1 VAL A 33 7.025 2.484 3.111 1.00 0.00 C ATOM 393 CG2 VAL A 33 8.485 4.163 1.967 1.00 0.00 C ATOM 0 H VAL A 33 9.164 5.358 5.084 1.00 0.00 H new ATOM 0 HA VAL A 33 6.679 5.275 3.516 1.00 0.00 H new ATOM 0 HB VAL A 33 8.876 3.218 3.838 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.486 1.695 2.516 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.739 2.085 4.084 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.139 2.856 2.597 1.00 0.00 H new ATOM 0 HG21 VAL A 33 8.916 3.354 1.378 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.638 4.591 1.431 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.238 4.934 2.130 1.00 0.00 H new ATOM 403 N ASP A 34 5.471 3.790 5.128 1.00 0.00 N ATOM 404 CA ASP A 34 4.649 3.257 6.187 1.00 0.00 C ATOM 405 C ASP A 34 4.372 1.772 5.983 1.00 0.00 C ATOM 406 O ASP A 34 3.507 1.394 5.194 1.00 0.00 O ATOM 407 CB ASP A 34 3.347 4.044 6.223 1.00 0.00 C ATOM 408 CG ASP A 34 3.025 4.572 7.609 1.00 0.00 C ATOM 409 OD1 ASP A 34 2.615 3.766 8.471 1.00 0.00 O ATOM 410 OD2 ASP A 34 3.184 5.791 7.831 1.00 0.00 O ATOM 0 H ASP A 34 5.013 3.824 4.217 1.00 0.00 H new ATOM 0 HA ASP A 34 5.175 3.356 7.137 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.412 4.879 5.526 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.531 3.406 5.882 1.00 0.00 H new ATOM 415 N ARG A 35 5.109 0.933 6.705 1.00 0.00 N ATOM 416 CA ARG A 35 4.942 -0.514 6.609 1.00 0.00 C ATOM 417 C ARG A 35 3.478 -0.907 6.791 1.00 0.00 C ATOM 418 O ARG A 35 2.938 -1.706 6.027 1.00 0.00 O ATOM 419 CB ARG A 35 5.804 -1.217 7.657 1.00 0.00 C ATOM 420 CG ARG A 35 5.660 -0.634 9.055 1.00 0.00 C ATOM 421 CD ARG A 35 7.005 -0.511 9.751 1.00 0.00 C ATOM 422 NE ARG A 35 6.891 -0.690 11.197 1.00 0.00 N ATOM 423 CZ ARG A 35 7.813 -0.288 12.069 1.00 0.00 C ATOM 424 NH1 ARG A 35 8.916 0.317 11.649 1.00 0.00 N ATOM 425 NH2 ARG A 35 7.629 -0.490 13.367 1.00 0.00 N ATOM 0 H ARG A 35 5.829 1.231 7.364 1.00 0.00 H new ATOM 0 HA ARG A 35 5.262 -0.827 5.615 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.539 -2.274 7.684 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.849 -1.159 7.354 1.00 0.00 H new ATOM 0 HG2 ARG A 35 5.190 0.348 8.994 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.000 -1.267 9.648 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.692 -1.254 9.347 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.435 0.468 9.540 1.00 0.00 H new ATOM 0 HE ARG A 35 6.056 -1.150 11.559 1.00 0.00 H new ATOM 0 HH11 ARG A 35 9.062 0.477 10.652 1.00 0.00 H new ATOM 0 HH12 ARG A 35 9.618 0.622 12.323 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.782 -0.953 13.696 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.335 -0.182 14.036 1.00 0.00 H new ATOM 439 N MET A 36 2.843 -0.339 7.813 1.00 0.00 N ATOM 440 CA MET A 36 1.448 -0.624 8.103 1.00 0.00 C ATOM 441 C MET A 36 0.511 0.307 7.331 1.00 0.00 C ATOM 442 O MET A 36 -0.697 0.314 7.566 1.00 0.00 O ATOM 443 CB MET A 36 1.186 -0.493 9.604 1.00 0.00 C ATOM 444 CG MET A 36 0.260 -1.565 10.156 1.00 0.00 C ATOM 445 SD MET A 36 0.497 -1.845 11.920 1.00 0.00 S ATOM 446 CE MET A 36 1.977 -2.854 11.908 1.00 0.00 C ATOM 0 H MET A 36 3.278 0.324 8.455 1.00 0.00 H new ATOM 0 HA MET A 36 1.246 -1.647 7.784 1.00 0.00 H new ATOM 0 HB2 MET A 36 2.137 -0.537 10.135 1.00 0.00 H new ATOM 0 HB3 MET A 36 0.754 0.487 9.805 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.775 -1.275 9.974 1.00 0.00 H new ATOM 0 HG3 MET A 36 0.429 -2.498 9.618 1.00 0.00 H new ATOM 0 HE1 MET A 36 1.830 -3.723 12.550 1.00 0.00 H new ATOM 0 HE2 MET A 36 2.183 -3.185 10.890 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.819 -2.269 12.277 1.00 0.00 H new ATOM 456 N ARG A 37 1.071 1.087 6.411 1.00 0.00 N ATOM 457 CA ARG A 37 0.283 2.016 5.612 1.00 0.00 C ATOM 458 C ARG A 37 0.982 2.293 4.285 1.00 0.00 C ATOM 459 O ARG A 37 1.302 3.438 3.963 1.00 0.00 O ATOM 460 CB ARG A 37 0.064 3.322 6.378 1.00 0.00 C ATOM 461 CG ARG A 37 -1.189 3.320 7.239 1.00 0.00 C ATOM 462 CD ARG A 37 -2.231 4.291 6.712 1.00 0.00 C ATOM 463 NE ARG A 37 -2.193 5.572 7.414 1.00 0.00 N ATOM 464 CZ ARG A 37 -3.114 6.522 7.274 1.00 0.00 C ATOM 465 NH1 ARG A 37 -4.146 6.341 6.460 1.00 0.00 N ATOM 466 NH2 ARG A 37 -3.002 7.657 7.950 1.00 0.00 N ATOM 0 H ARG A 37 2.069 1.093 6.201 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.688 1.565 5.409 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.930 3.511 7.012 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.004 4.145 5.666 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.609 2.315 7.268 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.928 3.586 8.263 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.066 4.456 5.647 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -3.222 3.850 6.816 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.414 5.748 8.049 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -4.237 5.470 5.937 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -4.849 7.073 6.357 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -2.210 7.801 8.577 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.708 8.386 7.843 1.00 0.00 H new ATOM 480 N LEU A 38 1.226 1.231 3.525 1.00 0.00 N ATOM 481 CA LEU A 38 1.901 1.342 2.241 1.00 0.00 C ATOM 482 C LEU A 38 0.951 1.825 1.154 1.00 0.00 C ATOM 483 O LEU A 38 1.362 2.461 0.184 1.00 0.00 O ATOM 484 CB LEU A 38 2.485 -0.018 1.848 1.00 0.00 C ATOM 485 CG LEU A 38 4.013 -0.141 1.900 1.00 0.00 C ATOM 486 CD1 LEU A 38 4.681 1.147 1.450 1.00 0.00 C ATOM 487 CD2 LEU A 38 4.466 -0.516 3.304 1.00 0.00 C ATOM 0 H LEU A 38 0.964 0.279 3.780 1.00 0.00 H new ATOM 0 HA LEU A 38 2.702 2.075 2.341 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.058 -0.776 2.504 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.157 -0.252 0.835 1.00 0.00 H new ATOM 0 HG LEU A 38 4.313 -0.932 1.213 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.764 1.031 1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.384 1.372 0.426 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.375 1.963 2.104 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.553 -0.600 3.326 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.147 0.254 4.007 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.023 -1.471 3.586 1.00 0.00 H new ATOM 499 N GLU A 39 -0.317 1.508 1.329 1.00 0.00 N ATOM 500 CA GLU A 39 -1.355 1.893 0.371 1.00 0.00 C ATOM 501 C GLU A 39 -1.280 3.383 0.057 1.00 0.00 C ATOM 502 O GLU A 39 -1.678 3.824 -1.020 1.00 0.00 O ATOM 503 CB GLU A 39 -2.743 1.540 0.915 1.00 0.00 C ATOM 504 CG GLU A 39 -3.193 2.423 2.068 1.00 0.00 C ATOM 505 CD GLU A 39 -2.254 2.347 3.254 1.00 0.00 C ATOM 506 OE1 GLU A 39 -1.950 1.220 3.696 1.00 0.00 O ATOM 507 OE2 GLU A 39 -1.822 3.413 3.738 1.00 0.00 O ATOM 0 H GLU A 39 -0.663 0.980 2.130 1.00 0.00 H new ATOM 0 HA GLU A 39 -1.185 1.337 -0.551 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.470 1.616 0.106 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.740 0.501 1.245 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.260 3.456 1.726 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.194 2.125 2.381 1.00 0.00 H new ATOM 514 N ARG A 40 -0.766 4.154 1.010 1.00 0.00 N ATOM 515 CA ARG A 40 -0.636 5.593 0.843 1.00 0.00 C ATOM 516 C ARG A 40 0.489 5.949 -0.128 1.00 0.00 C ATOM 517 O ARG A 40 0.673 7.114 -0.478 1.00 0.00 O ATOM 518 CB ARG A 40 -0.394 6.267 2.195 1.00 0.00 C ATOM 519 CG ARG A 40 -1.565 6.138 3.158 1.00 0.00 C ATOM 520 CD ARG A 40 -2.287 7.464 3.349 1.00 0.00 C ATOM 521 NE ARG A 40 -3.654 7.424 2.833 1.00 0.00 N ATOM 522 CZ ARG A 40 -3.967 7.572 1.548 1.00 0.00 C ATOM 523 NH1 ARG A 40 -3.016 7.774 0.645 1.00 0.00 N ATOM 524 NH2 ARG A 40 -5.235 7.520 1.165 1.00 0.00 N ATOM 0 H ARG A 40 -0.432 3.803 1.908 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.572 5.960 0.421 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.493 5.832 2.655 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.183 7.324 2.032 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.266 5.393 2.781 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.205 5.778 4.122 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.307 7.716 4.409 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.732 8.255 2.844 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.413 7.274 3.497 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.039 7.817 0.934 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.262 7.887 -0.338 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.970 7.367 1.855 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.475 7.633 0.180 1.00 0.00 H new ATOM 538 N HIS A 41 1.237 4.940 -0.558 1.00 0.00 N ATOM 539 CA HIS A 41 2.342 5.146 -1.489 1.00 0.00 C ATOM 540 C HIS A 41 1.930 4.787 -2.912 1.00 0.00 C ATOM 541 O HIS A 41 2.471 5.324 -3.878 1.00 0.00 O ATOM 542 CB HIS A 41 3.548 4.309 -1.068 1.00 0.00 C ATOM 543 CG HIS A 41 4.247 4.841 0.143 1.00 0.00 C ATOM 544 ND1 HIS A 41 5.206 5.826 0.088 1.00 0.00 N ATOM 545 CD2 HIS A 41 4.112 4.523 1.450 1.00 0.00 C ATOM 546 CE1 HIS A 41 5.633 6.088 1.311 1.00 0.00 C ATOM 547 NE2 HIS A 41 4.979 5.313 2.156 1.00 0.00 N ATOM 0 H HIS A 41 1.099 3.969 -0.277 1.00 0.00 H new ATOM 0 HA HIS A 41 2.613 6.201 -1.466 1.00 0.00 H new ATOM 0 HB2 HIS A 41 3.221 3.288 -0.871 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.256 4.263 -1.896 1.00 0.00 H new ATOM 0 HD1 HIS A 41 5.536 6.282 -0.763 1.00 0.00 H new ATOM 0 HD2 HIS A 41 3.443 3.782 1.862 1.00 0.00 H new ATOM 0 HE1 HIS A 41 6.389 6.813 1.574 1.00 0.00 H new ATOM 556 N LEU A 42 0.965 3.881 -3.035 1.00 0.00 N ATOM 557 CA LEU A 42 0.476 3.457 -4.328 1.00 0.00 C ATOM 558 C LEU A 42 -0.146 4.617 -5.077 1.00 0.00 C ATOM 559 O LEU A 42 -0.947 5.371 -4.524 1.00 0.00 O ATOM 560 CB LEU A 42 -0.578 2.373 -4.138 1.00 0.00 C ATOM 561 CG LEU A 42 -0.120 0.929 -4.347 1.00 0.00 C ATOM 562 CD1 LEU A 42 -1.314 0.077 -4.724 1.00 0.00 C ATOM 563 CD2 LEU A 42 0.948 0.839 -5.426 1.00 0.00 C ATOM 0 H LEU A 42 0.508 3.427 -2.244 1.00 0.00 H new ATOM 0 HA LEU A 42 1.317 3.074 -4.905 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.979 2.461 -3.128 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.400 2.573 -4.825 1.00 0.00 H new ATOM 0 HG LEU A 42 0.316 0.564 -3.417 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.993 -0.954 -4.874 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.054 0.114 -3.925 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.756 0.457 -5.645 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.253 -0.200 -5.551 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.547 1.215 -6.367 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.811 1.438 -5.134 1.00 0.00 H new ATOM 575 N SER A 43 0.191 4.730 -6.352 1.00 0.00 N ATOM 576 CA SER A 43 -0.379 5.771 -7.177 1.00 0.00 C ATOM 577 C SER A 43 -1.834 5.451 -7.431 1.00 0.00 C ATOM 578 O SER A 43 -2.269 4.313 -7.251 1.00 0.00 O ATOM 579 CB SER A 43 0.354 5.899 -8.504 1.00 0.00 C ATOM 580 OG SER A 43 0.823 7.218 -8.711 1.00 0.00 O ATOM 0 H SER A 43 0.851 4.117 -6.830 1.00 0.00 H new ATOM 0 HA SER A 43 -0.282 6.721 -6.651 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.194 5.205 -8.525 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.313 5.617 -9.318 1.00 0.00 H new ATOM 0 HG SER A 43 1.291 7.268 -9.571 1.00 0.00 H new ATOM 586 N ALA A 44 -2.580 6.443 -7.857 1.00 0.00 N ATOM 587 CA ALA A 44 -3.989 6.243 -8.142 1.00 0.00 C ATOM 588 C ALA A 44 -4.160 5.202 -9.234 1.00 0.00 C ATOM 589 O ALA A 44 -5.120 4.431 -9.233 1.00 0.00 O ATOM 590 CB ALA A 44 -4.640 7.553 -8.548 1.00 0.00 C ATOM 0 H ALA A 44 -2.242 7.392 -8.014 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.480 5.883 -7.238 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.696 7.385 -8.758 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.542 8.275 -7.737 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.150 7.941 -9.441 1.00 0.00 H new ATOM 596 N GLU A 45 -3.206 5.177 -10.153 1.00 0.00 N ATOM 597 CA GLU A 45 -3.220 4.233 -11.239 1.00 0.00 C ATOM 598 C GLU A 45 -2.836 2.854 -10.728 1.00 0.00 C ATOM 599 O GLU A 45 -3.136 1.843 -11.361 1.00 0.00 O ATOM 600 CB GLU A 45 -2.260 4.673 -12.345 1.00 0.00 C ATOM 601 CG GLU A 45 -2.558 6.058 -12.894 1.00 0.00 C ATOM 602 CD GLU A 45 -1.774 6.368 -14.155 1.00 0.00 C ATOM 603 OE1 GLU A 45 -0.570 6.040 -14.200 1.00 0.00 O ATOM 604 OE2 GLU A 45 -2.364 6.937 -15.097 1.00 0.00 O ATOM 0 H GLU A 45 -2.407 5.811 -10.159 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.227 4.192 -11.655 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.241 4.656 -11.958 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.303 3.951 -13.160 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.624 6.139 -13.105 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.325 6.804 -12.134 1.00 0.00 H new ATOM 611 N ASP A 46 -2.168 2.818 -9.574 1.00 0.00 N ATOM 612 CA ASP A 46 -1.754 1.565 -8.996 1.00 0.00 C ATOM 613 C ASP A 46 -2.801 1.028 -8.046 1.00 0.00 C ATOM 614 O ASP A 46 -3.143 -0.143 -8.112 1.00 0.00 O ATOM 615 CB ASP A 46 -0.415 1.684 -8.268 1.00 0.00 C ATOM 616 CG ASP A 46 0.747 1.896 -9.220 1.00 0.00 C ATOM 617 OD1 ASP A 46 1.217 0.902 -9.812 1.00 0.00 O ATOM 618 OD2 ASP A 46 1.186 3.055 -9.372 1.00 0.00 O ATOM 0 H ASP A 46 -1.909 3.643 -9.034 1.00 0.00 H new ATOM 0 HA ASP A 46 -1.632 0.867 -9.824 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.460 2.515 -7.564 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -0.241 0.781 -7.683 1.00 0.00 H new ATOM 623 N PHE A 47 -3.322 1.874 -7.160 1.00 0.00 N ATOM 624 CA PHE A 47 -4.338 1.413 -6.229 1.00 0.00 C ATOM 625 C PHE A 47 -5.512 0.846 -6.999 1.00 0.00 C ATOM 626 O PHE A 47 -5.940 -0.289 -6.787 1.00 0.00 O ATOM 627 CB PHE A 47 -4.808 2.541 -5.317 1.00 0.00 C ATOM 628 CG PHE A 47 -5.879 2.094 -4.373 1.00 0.00 C ATOM 629 CD1 PHE A 47 -7.201 2.042 -4.783 1.00 0.00 C ATOM 630 CD2 PHE A 47 -5.561 1.701 -3.087 1.00 0.00 C ATOM 631 CE1 PHE A 47 -8.186 1.605 -3.924 1.00 0.00 C ATOM 632 CE2 PHE A 47 -6.541 1.265 -2.223 1.00 0.00 C ATOM 633 CZ PHE A 47 -7.858 1.215 -2.644 1.00 0.00 C ATOM 0 H PHE A 47 -3.063 2.857 -7.070 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.901 0.636 -5.602 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.961 2.923 -4.748 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.182 3.365 -5.924 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -7.462 2.347 -5.786 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -4.534 1.736 -2.756 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -9.214 1.568 -4.254 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.282 0.963 -1.219 1.00 0.00 H new ATOM 0 HZ PHE A 47 -8.628 0.871 -1.970 1.00 0.00 H new ATOM 643 N SER A 48 -6.014 1.664 -7.893 1.00 0.00 N ATOM 644 CA SER A 48 -7.145 1.300 -8.736 1.00 0.00 C ATOM 645 C SER A 48 -6.876 0.023 -9.517 1.00 0.00 C ATOM 646 O SER A 48 -7.794 -0.740 -9.816 1.00 0.00 O ATOM 647 CB SER A 48 -7.486 2.440 -9.696 1.00 0.00 C ATOM 648 OG SER A 48 -8.050 3.540 -9.003 1.00 0.00 O ATOM 0 H SER A 48 -5.655 2.603 -8.062 1.00 0.00 H new ATOM 0 HA SER A 48 -7.996 1.118 -8.080 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.585 2.760 -10.220 1.00 0.00 H new ATOM 0 HB3 SER A 48 -8.186 2.085 -10.452 1.00 0.00 H new ATOM 0 HG SER A 48 -8.528 3.217 -8.211 1.00 0.00 H new ATOM 654 N ARG A 49 -5.618 -0.202 -9.845 1.00 0.00 N ATOM 655 CA ARG A 49 -5.225 -1.379 -10.590 1.00 0.00 C ATOM 656 C ARG A 49 -4.783 -2.506 -9.665 1.00 0.00 C ATOM 657 O ARG A 49 -4.715 -3.669 -10.062 1.00 0.00 O ATOM 658 CB ARG A 49 -4.103 -1.039 -11.569 1.00 0.00 C ATOM 659 CG ARG A 49 -4.589 -0.389 -12.854 1.00 0.00 C ATOM 660 CD ARG A 49 -3.759 -0.828 -14.049 1.00 0.00 C ATOM 661 NE ARG A 49 -2.587 0.023 -14.243 1.00 0.00 N ATOM 662 CZ ARG A 49 -1.525 -0.331 -14.964 1.00 0.00 C ATOM 663 NH1 ARG A 49 -1.483 -1.516 -15.559 1.00 0.00 N ATOM 664 NH2 ARG A 49 -0.502 0.504 -15.088 1.00 0.00 N ATOM 0 H ARG A 49 -4.847 0.421 -9.604 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.097 -1.722 -11.147 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.396 -0.370 -11.079 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.560 -1.951 -11.817 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.635 -0.648 -13.021 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.541 0.695 -12.755 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.438 -1.860 -13.908 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.376 -0.806 -14.947 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.582 0.942 -13.800 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.267 -2.162 -15.466 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.667 -1.781 -16.110 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.530 1.416 -14.631 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.312 0.234 -15.640 1.00 0.00 H new ATOM 678 N VAL A 50 -4.455 -2.136 -8.442 1.00 0.00 N ATOM 679 CA VAL A 50 -3.981 -3.069 -7.444 1.00 0.00 C ATOM 680 C VAL A 50 -5.120 -3.686 -6.642 1.00 0.00 C ATOM 681 O VAL A 50 -5.145 -4.896 -6.416 1.00 0.00 O ATOM 682 CB VAL A 50 -2.996 -2.363 -6.491 1.00 0.00 C ATOM 683 CG1 VAL A 50 -2.840 -3.087 -5.166 1.00 0.00 C ATOM 684 CG2 VAL A 50 -1.652 -2.230 -7.168 1.00 0.00 C ATOM 0 H VAL A 50 -4.511 -1.172 -8.113 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.475 -3.878 -7.971 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.407 -1.379 -6.266 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.135 -2.545 -4.536 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.807 -3.142 -4.665 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.466 -4.095 -5.344 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.954 -1.731 -6.496 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.271 -3.220 -7.417 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.760 -1.643 -8.080 1.00 0.00 H new ATOM 694 N PHE A 51 -6.047 -2.852 -6.192 1.00 0.00 N ATOM 695 CA PHE A 51 -7.162 -3.328 -5.395 1.00 0.00 C ATOM 696 C PHE A 51 -8.483 -3.213 -6.151 1.00 0.00 C ATOM 697 O PHE A 51 -9.546 -3.499 -5.599 1.00 0.00 O ATOM 698 CB PHE A 51 -7.247 -2.540 -4.089 1.00 0.00 C ATOM 699 CG PHE A 51 -5.947 -2.479 -3.342 1.00 0.00 C ATOM 700 CD1 PHE A 51 -5.522 -3.554 -2.583 1.00 0.00 C ATOM 701 CD2 PHE A 51 -5.148 -1.346 -3.401 1.00 0.00 C ATOM 702 CE1 PHE A 51 -4.326 -3.504 -1.894 1.00 0.00 C ATOM 703 CE2 PHE A 51 -3.952 -1.288 -2.711 1.00 0.00 C ATOM 704 CZ PHE A 51 -3.541 -2.368 -1.956 1.00 0.00 C ATOM 0 H PHE A 51 -6.047 -1.847 -6.366 1.00 0.00 H new ATOM 0 HA PHE A 51 -6.987 -4.382 -5.178 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -7.580 -1.525 -4.307 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -8.004 -2.993 -3.449 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.133 -4.443 -2.528 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.464 -0.500 -3.993 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -4.004 -4.352 -1.307 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.340 -0.399 -2.762 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.608 -2.325 -1.415 1.00 0.00 H new ATOM 714 N ALA A 52 -8.416 -2.799 -7.412 1.00 0.00 N ATOM 715 CA ALA A 52 -9.606 -2.656 -8.228 1.00 0.00 C ATOM 716 C ALA A 52 -10.635 -1.763 -7.544 1.00 0.00 C ATOM 717 O ALA A 52 -11.833 -2.040 -7.565 1.00 0.00 O ATOM 718 CB ALA A 52 -10.169 -4.028 -8.512 1.00 0.00 C ATOM 0 H ALA A 52 -7.547 -2.557 -7.887 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.346 -2.174 -9.170 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.065 -3.934 -9.125 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -9.426 -4.623 -9.043 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.423 -4.519 -7.572 1.00 0.00 H new ATOM 724 N MET A 53 -10.145 -0.686 -6.941 1.00 0.00 N ATOM 725 CA MET A 53 -10.993 0.266 -6.247 1.00 0.00 C ATOM 726 C MET A 53 -10.440 1.676 -6.397 1.00 0.00 C ATOM 727 O MET A 53 -9.317 1.862 -6.857 1.00 0.00 O ATOM 728 CB MET A 53 -11.092 -0.089 -4.763 1.00 0.00 C ATOM 729 CG MET A 53 -12.325 -0.901 -4.405 1.00 0.00 C ATOM 730 SD MET A 53 -11.965 -2.655 -4.200 1.00 0.00 S ATOM 731 CE MET A 53 -10.680 -2.598 -2.952 1.00 0.00 C ATOM 0 H MET A 53 -9.152 -0.452 -6.921 1.00 0.00 H new ATOM 0 HA MET A 53 -11.988 0.223 -6.691 1.00 0.00 H new ATOM 0 HB2 MET A 53 -10.203 -0.650 -4.474 1.00 0.00 H new ATOM 0 HB3 MET A 53 -11.093 0.831 -4.179 1.00 0.00 H new ATOM 0 HG2 MET A 53 -12.756 -0.512 -3.482 1.00 0.00 H new ATOM 0 HG3 MET A 53 -13.076 -0.777 -5.185 1.00 0.00 H new ATOM 0 HE1 MET A 53 -10.379 -3.613 -2.693 1.00 0.00 H new ATOM 0 HE2 MET A 53 -9.820 -2.052 -3.340 1.00 0.00 H new ATOM 0 HE3 MET A 53 -11.059 -2.094 -2.063 1.00 0.00 H new ATOM 741 N SER A 54 -11.217 2.667 -5.989 1.00 0.00 N ATOM 742 CA SER A 54 -10.774 4.041 -6.068 1.00 0.00 C ATOM 743 C SER A 54 -9.904 4.365 -4.867 1.00 0.00 C ATOM 744 O SER A 54 -10.279 4.084 -3.734 1.00 0.00 O ATOM 745 CB SER A 54 -11.974 4.988 -6.128 1.00 0.00 C ATOM 746 OG SER A 54 -12.806 4.830 -4.991 1.00 0.00 O ATOM 0 H SER A 54 -12.152 2.542 -5.602 1.00 0.00 H new ATOM 0 HA SER A 54 -10.190 4.174 -6.978 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.625 6.019 -6.187 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.549 4.794 -7.033 1.00 0.00 H new ATOM 0 HG SER A 54 -13.565 5.447 -5.052 1.00 0.00 H new ATOM 752 N PRO A 55 -8.725 4.964 -5.086 1.00 0.00 N ATOM 753 CA PRO A 55 -7.816 5.329 -4.005 1.00 0.00 C ATOM 754 C PRO A 55 -8.584 5.855 -2.798 1.00 0.00 C ATOM 755 O PRO A 55 -8.250 5.592 -1.639 1.00 0.00 O ATOM 756 CB PRO A 55 -6.944 6.432 -4.634 1.00 0.00 C ATOM 757 CG PRO A 55 -7.449 6.603 -6.040 1.00 0.00 C ATOM 758 CD PRO A 55 -8.179 5.346 -6.383 1.00 0.00 C ATOM 0 HA PRO A 55 -7.233 4.486 -3.633 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.027 7.363 -4.073 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.891 6.149 -4.628 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.109 7.467 -6.113 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -6.623 6.773 -6.731 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.961 5.515 -7.124 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.514 4.583 -6.789 1.00 0.00 H new ATOM 766 N GLU A 56 -9.635 6.585 -3.109 1.00 0.00 N ATOM 767 CA GLU A 56 -10.511 7.163 -2.127 1.00 0.00 C ATOM 768 C GLU A 56 -11.316 6.095 -1.414 1.00 0.00 C ATOM 769 O GLU A 56 -11.464 6.128 -0.194 1.00 0.00 O ATOM 770 CB GLU A 56 -11.464 8.130 -2.808 1.00 0.00 C ATOM 771 CG GLU A 56 -12.095 7.585 -4.079 1.00 0.00 C ATOM 772 CD GLU A 56 -11.872 8.486 -5.279 1.00 0.00 C ATOM 773 OE1 GLU A 56 -10.822 8.344 -5.941 1.00 0.00 O ATOM 774 OE2 GLU A 56 -12.746 9.334 -5.556 1.00 0.00 O ATOM 0 H GLU A 56 -9.904 6.793 -4.071 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.900 7.686 -1.391 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.255 8.398 -2.108 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.926 9.047 -3.046 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.683 6.598 -4.290 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.166 7.456 -3.921 1.00 0.00 H new ATOM 781 N GLU A 57 -11.837 5.144 -2.185 1.00 0.00 N ATOM 782 CA GLU A 57 -12.620 4.062 -1.636 1.00 0.00 C ATOM 783 C GLU A 57 -11.937 3.538 -0.394 1.00 0.00 C ATOM 784 O GLU A 57 -12.561 3.282 0.634 1.00 0.00 O ATOM 785 CB GLU A 57 -12.788 2.959 -2.677 1.00 0.00 C ATOM 786 CG GLU A 57 -14.129 2.991 -3.390 1.00 0.00 C ATOM 787 CD GLU A 57 -15.231 2.321 -2.591 1.00 0.00 C ATOM 788 OE1 GLU A 57 -15.234 2.463 -1.350 1.00 0.00 O ATOM 789 OE2 GLU A 57 -16.089 1.655 -3.206 1.00 0.00 O ATOM 0 H GLU A 57 -11.725 5.109 -3.198 1.00 0.00 H new ATOM 0 HA GLU A 57 -13.613 4.422 -1.366 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.991 3.045 -3.416 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.668 1.991 -2.190 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -14.407 4.026 -3.587 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -14.034 2.496 -4.357 1.00 0.00 H new ATOM 796 N PHE A 58 -10.635 3.435 -0.510 1.00 0.00 N ATOM 797 CA PHE A 58 -9.790 2.995 0.582 1.00 0.00 C ATOM 798 C PHE A 58 -9.823 4.019 1.703 1.00 0.00 C ATOM 799 O PHE A 58 -9.978 3.671 2.874 1.00 0.00 O ATOM 800 CB PHE A 58 -8.350 2.797 0.110 1.00 0.00 C ATOM 801 CG PHE A 58 -7.764 1.485 0.540 1.00 0.00 C ATOM 802 CD1 PHE A 58 -8.431 0.302 0.285 1.00 0.00 C ATOM 803 CD2 PHE A 58 -6.548 1.433 1.200 1.00 0.00 C ATOM 804 CE1 PHE A 58 -7.901 -0.906 0.676 1.00 0.00 C ATOM 805 CE2 PHE A 58 -6.013 0.228 1.595 1.00 0.00 C ATOM 806 CZ PHE A 58 -6.692 -0.942 1.332 1.00 0.00 C ATOM 0 H PHE A 58 -10.126 3.654 -1.367 1.00 0.00 H new ATOM 0 HA PHE A 58 -10.170 2.041 0.947 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -8.318 2.863 -0.978 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -7.733 3.608 0.497 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -9.381 0.326 -0.228 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -6.013 2.348 1.407 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -8.432 -1.823 0.469 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.064 0.199 2.110 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.274 -1.889 1.641 1.00 0.00 H new ATOM 816 N GLY A 59 -9.688 5.291 1.334 1.00 0.00 N ATOM 817 CA GLY A 59 -9.719 6.347 2.326 1.00 0.00 C ATOM 818 C GLY A 59 -11.011 6.351 3.124 1.00 0.00 C ATOM 819 O GLY A 59 -11.084 6.958 4.193 1.00 0.00 O ATOM 0 H GLY A 59 -9.559 5.605 0.372 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.875 6.229 3.006 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.597 7.311 1.831 1.00 0.00 H new ATOM 823 N LYS A 60 -12.040 5.681 2.600 1.00 0.00 N ATOM 824 CA LYS A 60 -13.328 5.624 3.262 1.00 0.00 C ATOM 825 C LYS A 60 -13.599 4.256 3.881 1.00 0.00 C ATOM 826 O LYS A 60 -14.361 4.140 4.841 1.00 0.00 O ATOM 827 CB LYS A 60 -14.451 5.992 2.289 1.00 0.00 C ATOM 828 CG LYS A 60 -14.127 7.185 1.404 1.00 0.00 C ATOM 829 CD LYS A 60 -13.781 8.417 2.228 1.00 0.00 C ATOM 830 CE LYS A 60 -12.535 9.110 1.700 1.00 0.00 C ATOM 831 NZ LYS A 60 -12.439 10.518 2.176 1.00 0.00 N ATOM 0 H LYS A 60 -11.997 5.172 1.717 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.301 6.352 4.073 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -14.669 5.131 1.657 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -15.356 6.208 2.857 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -13.291 6.937 0.750 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -14.980 7.404 0.761 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -14.620 9.113 2.213 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.625 8.128 3.267 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.650 8.558 2.018 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.545 9.095 0.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.576 10.955 1.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -13.271 11.052 1.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.403 10.531 3.215 1.00 0.00 H new ATOM 845 N LEU A 61 -12.978 3.227 3.328 1.00 0.00 N ATOM 846 CA LEU A 61 -13.154 1.867 3.822 1.00 0.00 C ATOM 847 C LEU A 61 -12.835 1.773 5.311 1.00 0.00 C ATOM 848 O LEU A 61 -12.621 2.784 5.978 1.00 0.00 O ATOM 849 CB LEU A 61 -12.260 0.905 3.042 1.00 0.00 C ATOM 850 CG LEU A 61 -12.795 0.490 1.672 1.00 0.00 C ATOM 851 CD1 LEU A 61 -11.683 -0.125 0.839 1.00 0.00 C ATOM 852 CD2 LEU A 61 -13.955 -0.482 1.821 1.00 0.00 C ATOM 0 H LEU A 61 -12.344 3.306 2.533 1.00 0.00 H new ATOM 0 HA LEU A 61 -14.199 1.591 3.678 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -11.283 1.369 2.908 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -12.107 0.008 3.642 1.00 0.00 H new ATOM 0 HG LEU A 61 -13.162 1.379 1.159 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -12.077 -0.417 -0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.884 0.604 0.704 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -11.290 -1.004 1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -14.321 -0.765 0.834 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -13.618 -1.372 2.352 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -14.758 -0.006 2.384 1.00 0.00 H new ATOM 864 N ALA A 62 -12.795 0.546 5.820 1.00 0.00 N ATOM 865 CA ALA A 62 -12.492 0.306 7.222 1.00 0.00 C ATOM 866 C ALA A 62 -11.031 -0.077 7.385 1.00 0.00 C ATOM 867 O ALA A 62 -10.257 -0.001 6.433 1.00 0.00 O ATOM 868 CB ALA A 62 -13.391 -0.791 7.776 1.00 0.00 C ATOM 0 H ALA A 62 -12.970 -0.300 5.278 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.677 1.223 7.782 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -13.153 -0.960 8.826 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -14.434 -0.488 7.684 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -13.230 -1.711 7.215 1.00 0.00 H new ATOM 874 N LEU A 63 -10.659 -0.502 8.583 1.00 0.00 N ATOM 875 CA LEU A 63 -9.287 -0.913 8.844 1.00 0.00 C ATOM 876 C LEU A 63 -9.118 -2.397 8.558 1.00 0.00 C ATOM 877 O LEU A 63 -8.017 -2.878 8.287 1.00 0.00 O ATOM 878 CB LEU A 63 -8.895 -0.602 10.291 1.00 0.00 C ATOM 879 CG LEU A 63 -7.727 0.372 10.449 1.00 0.00 C ATOM 880 CD1 LEU A 63 -6.482 -0.174 9.767 1.00 0.00 C ATOM 881 CD2 LEU A 63 -8.092 1.737 9.885 1.00 0.00 C ATOM 0 H LEU A 63 -11.284 -0.571 9.386 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.628 -0.351 8.182 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.763 -0.191 10.806 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.640 -1.536 10.791 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.514 0.486 11.512 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.661 0.532 9.889 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.210 -1.129 10.217 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.682 -0.317 8.705 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.249 2.418 10.006 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.332 1.641 8.826 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.957 2.132 10.419 1.00 0.00 H new ATOM 893 N TRP A 64 -10.229 -3.110 8.618 1.00 0.00 N ATOM 894 CA TRP A 64 -10.247 -4.529 8.375 1.00 0.00 C ATOM 895 C TRP A 64 -10.305 -4.826 6.884 1.00 0.00 C ATOM 896 O TRP A 64 -9.446 -5.528 6.352 1.00 0.00 O ATOM 897 CB TRP A 64 -11.431 -5.171 9.100 1.00 0.00 C ATOM 898 CG TRP A 64 -12.743 -4.490 8.831 1.00 0.00 C ATOM 899 CD1 TRP A 64 -13.237 -3.369 9.438 1.00 0.00 C ATOM 900 CD2 TRP A 64 -13.731 -4.895 7.884 1.00 0.00 C ATOM 901 NE1 TRP A 64 -14.471 -3.060 8.914 1.00 0.00 N ATOM 902 CE2 TRP A 64 -14.795 -3.983 7.967 1.00 0.00 C ATOM 903 CE3 TRP A 64 -13.813 -5.940 6.973 1.00 0.00 C ATOM 904 CZ2 TRP A 64 -15.932 -4.090 7.176 1.00 0.00 C ATOM 905 CZ3 TRP A 64 -14.942 -6.050 6.183 1.00 0.00 C ATOM 906 CH2 TRP A 64 -15.990 -5.125 6.293 1.00 0.00 C ATOM 0 H TRP A 64 -11.143 -2.714 8.838 1.00 0.00 H new ATOM 0 HA TRP A 64 -9.323 -4.957 8.765 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -11.506 -6.216 8.801 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -11.239 -5.160 10.173 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -12.734 -2.810 10.213 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -15.050 -2.267 9.190 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -13.008 -6.655 6.883 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -16.740 -3.378 7.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -15.018 -6.859 5.472 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -16.861 -5.236 5.664 1.00 0.00 H new ATOM 917 N LYS A 65 -11.310 -4.279 6.204 1.00 0.00 N ATOM 918 CA LYS A 65 -11.442 -4.491 4.774 1.00 0.00 C ATOM 919 C LYS A 65 -10.186 -4.002 4.071 1.00 0.00 C ATOM 920 O LYS A 65 -9.705 -4.623 3.126 1.00 0.00 O ATOM 921 CB LYS A 65 -12.691 -3.792 4.219 1.00 0.00 C ATOM 922 CG LYS A 65 -12.916 -2.386 4.741 1.00 0.00 C ATOM 923 CD LYS A 65 -14.396 -2.111 5.006 1.00 0.00 C ATOM 924 CE LYS A 65 -15.295 -2.715 3.935 1.00 0.00 C ATOM 925 NZ LYS A 65 -16.454 -1.835 3.620 1.00 0.00 N ATOM 0 H LYS A 65 -12.035 -3.693 6.619 1.00 0.00 H new ATOM 0 HA LYS A 65 -11.562 -5.558 4.588 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -12.616 -3.754 3.132 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -13.565 -4.398 4.457 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -12.349 -2.245 5.661 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -12.536 -1.664 4.018 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -14.670 -2.517 5.980 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -14.561 -1.035 5.052 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -14.714 -2.888 3.029 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -15.658 -3.686 4.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -17.334 -2.388 3.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -16.494 -1.055 4.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -16.345 -1.447 2.661 1.00 0.00 H new ATOM 939 N ARG A 66 -9.639 -2.901 4.572 1.00 0.00 N ATOM 940 CA ARG A 66 -8.421 -2.345 4.033 1.00 0.00 C ATOM 941 C ARG A 66 -7.281 -3.331 4.236 1.00 0.00 C ATOM 942 O ARG A 66 -6.464 -3.551 3.342 1.00 0.00 O ATOM 943 CB ARG A 66 -8.105 -1.032 4.738 1.00 0.00 C ATOM 944 CG ARG A 66 -8.536 0.201 3.957 1.00 0.00 C ATOM 945 CD ARG A 66 -7.632 1.391 4.238 1.00 0.00 C ATOM 946 NE ARG A 66 -6.239 0.990 4.407 1.00 0.00 N ATOM 947 CZ ARG A 66 -5.319 1.740 5.007 1.00 0.00 C ATOM 948 NH1 ARG A 66 -5.635 2.943 5.473 1.00 0.00 N ATOM 949 NH2 ARG A 66 -4.080 1.288 5.142 1.00 0.00 N ATOM 0 H ARG A 66 -10.029 -2.378 5.356 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.545 -2.156 2.967 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.596 -1.025 5.711 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.032 -0.978 4.922 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.523 -0.022 2.890 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.563 0.455 4.217 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.707 2.105 3.418 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.974 1.902 5.138 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.954 0.081 4.043 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.587 3.295 5.371 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.926 3.514 5.932 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.832 0.365 4.786 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.375 1.863 5.602 1.00 0.00 H new ATOM 963 N ASN A 67 -7.240 -3.934 5.425 1.00 0.00 N ATOM 964 CA ASN A 67 -6.222 -4.899 5.755 1.00 0.00 C ATOM 965 C ASN A 67 -6.353 -6.135 4.870 1.00 0.00 C ATOM 966 O ASN A 67 -5.357 -6.668 4.378 1.00 0.00 O ATOM 967 CB ASN A 67 -6.350 -5.281 7.226 1.00 0.00 C ATOM 968 CG ASN A 67 -5.375 -4.525 8.110 1.00 0.00 C ATOM 969 OD1 ASN A 67 -4.289 -4.145 7.672 1.00 0.00 O ATOM 970 ND2 ASN A 67 -5.764 -4.299 9.360 1.00 0.00 N ATOM 0 H ASN A 67 -7.912 -3.761 6.173 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.239 -4.461 5.581 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.368 -5.084 7.562 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.180 -6.352 7.336 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.153 -3.792 10.000 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.673 -4.633 9.679 1.00 0.00 H new ATOM 977 N GLU A 68 -7.592 -6.586 4.671 1.00 0.00 N ATOM 978 CA GLU A 68 -7.854 -7.754 3.852 1.00 0.00 C ATOM 979 C GLU A 68 -7.504 -7.502 2.391 1.00 0.00 C ATOM 980 O GLU A 68 -7.285 -8.437 1.624 1.00 0.00 O ATOM 981 CB GLU A 68 -9.319 -8.176 3.976 1.00 0.00 C ATOM 982 CG GLU A 68 -9.730 -8.538 5.394 1.00 0.00 C ATOM 983 CD GLU A 68 -10.639 -9.752 5.444 1.00 0.00 C ATOM 984 OE1 GLU A 68 -11.452 -9.924 4.511 1.00 0.00 O ATOM 985 OE2 GLU A 68 -10.537 -10.530 6.416 1.00 0.00 O ATOM 0 H GLU A 68 -8.426 -6.155 5.069 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.218 -8.561 4.216 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.954 -7.365 3.619 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -9.498 -9.032 3.325 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.838 -8.732 5.989 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.239 -7.688 5.849 1.00 0.00 H new ATOM 992 N LEU A 69 -7.461 -6.234 2.019 1.00 0.00 N ATOM 993 CA LEU A 69 -7.144 -5.842 0.649 1.00 0.00 C ATOM 994 C LEU A 69 -5.663 -5.546 0.486 1.00 0.00 C ATOM 995 O LEU A 69 -5.003 -6.089 -0.399 1.00 0.00 O ATOM 996 CB LEU A 69 -7.960 -4.612 0.257 1.00 0.00 C ATOM 997 CG LEU A 69 -9.455 -4.867 0.121 1.00 0.00 C ATOM 998 CD1 LEU A 69 -10.202 -3.568 -0.144 1.00 0.00 C ATOM 999 CD2 LEU A 69 -9.709 -5.877 -0.984 1.00 0.00 C ATOM 0 H LEU A 69 -7.642 -5.452 2.648 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.399 -6.676 -0.006 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.803 -3.834 1.004 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.582 -4.227 -0.690 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.829 -5.278 1.059 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.268 -3.774 -0.238 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.037 -2.878 0.684 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.836 -3.120 -1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.781 -6.054 -1.075 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.324 -5.489 -1.927 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.205 -6.813 -0.744 1.00 0.00 H new ATOM 1011 N LYS A 70 -5.150 -4.678 1.342 1.00 0.00 N ATOM 1012 CA LYS A 70 -3.750 -4.295 1.302 1.00 0.00 C ATOM 1013 C LYS A 70 -2.857 -5.527 1.287 1.00 0.00 C ATOM 1014 O LYS A 70 -1.778 -5.521 0.694 1.00 0.00 O ATOM 1015 CB LYS A 70 -3.435 -3.378 2.488 1.00 0.00 C ATOM 1016 CG LYS A 70 -2.685 -4.049 3.630 1.00 0.00 C ATOM 1017 CD LYS A 70 -2.789 -3.245 4.915 1.00 0.00 C ATOM 1018 CE LYS A 70 -2.177 -1.861 4.761 1.00 0.00 C ATOM 1019 NZ LYS A 70 -0.740 -1.840 5.149 1.00 0.00 N ATOM 0 H LYS A 70 -5.688 -4.222 2.079 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.551 -3.744 0.383 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.845 -2.534 2.130 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.370 -2.972 2.874 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.087 -5.049 3.792 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.636 -4.167 3.358 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.836 -3.150 5.202 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.285 -3.779 5.721 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.278 -1.533 3.726 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.729 -1.150 5.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.429 -0.856 5.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.614 -2.360 6.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.172 -2.290 4.403 1.00 0.00 H new ATOM 1033 N LYS A 71 -3.324 -6.586 1.929 1.00 0.00 N ATOM 1034 CA LYS A 71 -2.581 -7.827 1.972 1.00 0.00 C ATOM 1035 C LYS A 71 -2.589 -8.481 0.600 1.00 0.00 C ATOM 1036 O LYS A 71 -1.634 -9.156 0.214 1.00 0.00 O ATOM 1037 CB LYS A 71 -3.156 -8.745 3.060 1.00 0.00 C ATOM 1038 CG LYS A 71 -2.941 -10.237 2.830 1.00 0.00 C ATOM 1039 CD LYS A 71 -4.074 -11.058 3.429 1.00 0.00 C ATOM 1040 CE LYS A 71 -5.429 -10.589 2.923 1.00 0.00 C ATOM 1041 NZ LYS A 71 -6.433 -11.690 2.914 1.00 0.00 N ATOM 0 H LYS A 71 -4.214 -6.607 2.426 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.541 -7.628 2.232 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.709 -8.473 4.016 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.226 -8.557 3.143 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.871 -10.436 1.761 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.994 -10.543 3.274 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.935 -12.110 3.178 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.044 -10.983 4.516 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.789 -9.775 3.552 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.321 -10.189 1.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.311 -11.355 2.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.058 -12.497 2.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.632 -11.987 3.891 1.00 0.00 H new ATOM 1055 N LYS A 72 -3.655 -8.244 -0.147 1.00 0.00 N ATOM 1056 CA LYS A 72 -3.772 -8.772 -1.490 1.00 0.00 C ATOM 1057 C LYS A 72 -2.662 -8.204 -2.352 1.00 0.00 C ATOM 1058 O LYS A 72 -2.137 -8.866 -3.246 1.00 0.00 O ATOM 1059 CB LYS A 72 -5.131 -8.428 -2.102 1.00 0.00 C ATOM 1060 CG LYS A 72 -6.309 -8.900 -1.271 1.00 0.00 C ATOM 1061 CD LYS A 72 -6.420 -10.414 -1.281 1.00 0.00 C ATOM 1062 CE LYS A 72 -7.148 -10.920 -0.050 1.00 0.00 C ATOM 1063 NZ LYS A 72 -6.938 -12.379 0.163 1.00 0.00 N ATOM 0 H LYS A 72 -4.453 -7.687 0.158 1.00 0.00 H new ATOM 0 HA LYS A 72 -3.687 -9.858 -1.444 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.198 -7.348 -2.232 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.196 -8.873 -3.095 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.197 -8.548 -0.245 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.229 -8.463 -1.659 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.949 -10.736 -2.178 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.424 -10.854 -1.324 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.802 -10.372 0.826 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.214 -10.718 -0.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.557 -12.710 0.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.165 -12.894 -0.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.945 -12.553 0.420 1.00 0.00 H new ATOM 1077 N ALA A 73 -2.316 -6.963 -2.056 1.00 0.00 N ATOM 1078 CA ALA A 73 -1.273 -6.262 -2.770 1.00 0.00 C ATOM 1079 C ALA A 73 0.080 -6.415 -2.075 1.00 0.00 C ATOM 1080 O ALA A 73 1.112 -6.029 -2.622 1.00 0.00 O ATOM 1081 CB ALA A 73 -1.643 -4.797 -2.911 1.00 0.00 C ATOM 0 H ALA A 73 -2.753 -6.417 -1.313 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.180 -6.703 -3.762 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.854 -4.273 -3.450 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.579 -4.710 -3.463 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.762 -4.355 -1.922 1.00 0.00 H new ATOM 1087 N SER A 74 0.071 -6.979 -0.862 1.00 0.00 N ATOM 1088 CA SER A 74 1.300 -7.180 -0.095 1.00 0.00 C ATOM 1089 C SER A 74 1.767 -5.877 0.547 1.00 0.00 C ATOM 1090 O SER A 74 2.899 -5.780 1.021 1.00 0.00 O ATOM 1091 CB SER A 74 2.409 -7.753 -0.984 1.00 0.00 C ATOM 1092 OG SER A 74 3.163 -8.731 -0.290 1.00 0.00 O ATOM 0 H SER A 74 -0.775 -7.303 -0.393 1.00 0.00 H new ATOM 0 HA SER A 74 1.080 -7.896 0.697 1.00 0.00 H new ATOM 0 HB2 SER A 74 1.971 -8.195 -1.879 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.067 -6.949 -1.315 1.00 0.00 H new ATOM 0 HG SER A 74 3.863 -9.083 -0.879 1.00 0.00 H new ATOM 1098 N LEU A 75 0.888 -4.878 0.569 1.00 0.00 N ATOM 1099 CA LEU A 75 1.215 -3.590 1.168 1.00 0.00 C ATOM 1100 C LEU A 75 0.995 -3.622 2.679 1.00 0.00 C ATOM 1101 O LEU A 75 1.215 -2.627 3.370 1.00 0.00 O ATOM 1102 CB LEU A 75 0.369 -2.481 0.534 1.00 0.00 C ATOM 1103 CG LEU A 75 0.438 -2.399 -0.995 1.00 0.00 C ATOM 1104 CD1 LEU A 75 -0.087 -1.060 -1.490 1.00 0.00 C ATOM 1105 CD2 LEU A 75 1.862 -2.626 -1.476 1.00 0.00 C ATOM 0 H LEU A 75 -0.053 -4.937 0.180 1.00 0.00 H new ATOM 0 HA LEU A 75 2.268 -3.383 0.980 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.671 -2.627 0.827 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.686 -1.523 0.948 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.196 -3.184 -1.407 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.028 -1.026 -2.578 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.125 -0.939 -1.179 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.515 -0.255 -1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.893 -2.564 -2.564 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.515 -1.864 -1.051 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.200 -3.612 -1.159 1.00 0.00 H new ATOM 1117 N PHE A 76 0.557 -4.773 3.188 1.00 0.00 N ATOM 1118 CA PHE A 76 0.305 -4.933 4.612 1.00 0.00 C ATOM 1119 C PHE A 76 1.600 -4.833 5.411 1.00 0.00 C ATOM 1120 O PHE A 76 2.499 -5.671 5.189 1.00 0.00 O ATOM 1121 CB PHE A 76 -0.375 -6.279 4.879 1.00 0.00 C ATOM 1122 CG PHE A 76 -1.158 -6.314 6.162 1.00 0.00 C ATOM 1123 CD1 PHE A 76 -0.532 -6.083 7.376 1.00 0.00 C ATOM 1124 CD2 PHE A 76 -2.518 -6.582 6.154 1.00 0.00 C ATOM 1125 CE1 PHE A 76 -1.247 -6.117 8.559 1.00 0.00 C ATOM 1126 CE2 PHE A 76 -3.237 -6.619 7.333 1.00 0.00 C ATOM 1127 CZ PHE A 76 -2.602 -6.385 8.535 1.00 0.00 C ATOM 1128 OXT PHE A 76 1.704 -3.917 6.254 1.00 0.00 O ATOM 0 H PHE A 76 0.370 -5.607 2.631 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.357 -4.128 4.933 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.043 -6.510 4.049 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.384 -7.061 4.905 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.527 -5.874 7.399 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -3.021 -6.764 5.216 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.748 -5.935 9.499 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.296 -6.831 7.314 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.164 -6.411 9.457 1.00 0.00 H new