USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 579 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= 0.0229 X(o=0.023,f=-0.47) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 16:sc= 1.1 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.105 X(o=-0.11,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.385 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl 148:sc= -0.32 (180deg=-1.42!) USER MOD Single : A 41 HIS : no HE2:sc= -8.89! C(o=-8.9!,f=-15!) USER MOD Single : A 43 SER OG : rot -47:sc= -4.7! USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl 177:sc= -7.52! (180deg=-7.89!) USER MOD Single : A 54 SER OG : rot 180:sc= -2.26 USER MOD Single : A 60 LYS NZ :NH3+ 168:sc= 0.923 (180deg=0.536) USER MOD Single : A 65 LYS NZ :NH3+ -178:sc= -0.782 (180deg=-0.8) USER MOD Single : A 67 ASN : amide:sc= -4.24! C(o=-4.2!,f=-8.8!) USER MOD Single : A 70 LYS NZ :NH3+ -145:sc= 1.01 (180deg=-1.35) USER MOD Single : A 71 LYS NZ :NH3+ -141:sc= 1.09 (180deg=-0.118) USER MOD Single : A 72 LYS NZ :NH3+ 153:sc= 0.00784 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 9 1.879 16.174 4.787 1.00 0.00 N ATOM 2 CA PRO A 9 0.474 15.687 4.832 1.00 0.00 C ATOM 3 C PRO A 9 0.374 14.212 4.447 1.00 0.00 C ATOM 4 O PRO A 9 -0.424 13.466 5.014 1.00 0.00 O ATOM 5 CB PRO A 9 -0.341 16.545 3.868 1.00 0.00 C ATOM 6 CG PRO A 9 0.611 17.598 3.410 1.00 0.00 C ATOM 7 CD PRO A 9 1.997 17.026 3.592 1.00 0.00 C ATOM 0 HA PRO A 9 0.090 15.772 5.849 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.714 15.956 3.030 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.209 16.982 4.362 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.431 17.857 2.367 1.00 0.00 H new ATOM 0 HG3 PRO A 9 0.488 18.512 3.991 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.308 16.450 2.721 1.00 0.00 H new ATOM 0 HD3 PRO A 9 2.738 17.813 3.735 1.00 0.00 H new ATOM 15 N GLY A 10 1.188 13.801 3.480 1.00 0.00 N ATOM 16 CA GLY A 10 1.173 12.420 3.037 1.00 0.00 C ATOM 17 C GLY A 10 2.448 12.023 2.322 1.00 0.00 C ATOM 18 O GLY A 10 3.177 12.876 1.815 1.00 0.00 O ATOM 0 H GLY A 10 1.857 14.400 2.996 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.026 11.768 3.898 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.324 12.265 2.371 1.00 0.00 H new ATOM 22 N LEU A 11 2.722 10.722 2.285 1.00 0.00 N ATOM 23 CA LEU A 11 3.915 10.205 1.633 1.00 0.00 C ATOM 24 C LEU A 11 3.819 10.361 0.119 1.00 0.00 C ATOM 25 O LEU A 11 2.730 10.303 -0.452 1.00 0.00 O ATOM 26 CB LEU A 11 4.125 8.735 1.998 1.00 0.00 C ATOM 27 CG LEU A 11 3.752 8.363 3.437 1.00 0.00 C ATOM 28 CD1 LEU A 11 2.366 7.733 3.483 1.00 0.00 C ATOM 29 CD2 LEU A 11 4.790 7.424 4.036 1.00 0.00 C ATOM 0 H LEU A 11 2.128 10.005 2.702 1.00 0.00 H new ATOM 0 HA LEU A 11 4.770 10.783 1.984 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.538 8.120 1.316 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.172 8.482 1.834 1.00 0.00 H new ATOM 0 HG LEU A 11 3.734 9.275 4.034 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.118 7.475 4.512 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.632 8.441 3.099 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.356 6.831 2.871 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.506 7.172 5.058 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.844 6.513 3.440 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.764 7.913 4.040 1.00 0.00 H new ATOM 41 N GLN A 12 4.963 10.564 -0.526 1.00 0.00 N ATOM 42 CA GLN A 12 5.010 10.731 -1.963 1.00 0.00 C ATOM 43 C GLN A 12 4.613 9.431 -2.665 1.00 0.00 C ATOM 44 O GLN A 12 4.922 8.338 -2.190 1.00 0.00 O ATOM 45 CB GLN A 12 6.416 11.205 -2.370 1.00 0.00 C ATOM 46 CG GLN A 12 6.985 10.559 -3.623 1.00 0.00 C ATOM 47 CD GLN A 12 6.678 11.352 -4.879 1.00 0.00 C ATOM 48 OE1 GLN A 12 7.227 12.433 -5.092 1.00 0.00 O ATOM 49 NE2 GLN A 12 5.797 10.821 -5.718 1.00 0.00 N ATOM 0 H GLN A 12 5.872 10.616 -0.067 1.00 0.00 H new ATOM 0 HA GLN A 12 4.292 11.490 -2.274 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.388 12.284 -2.519 1.00 0.00 H new ATOM 0 HB3 GLN A 12 7.099 11.015 -1.542 1.00 0.00 H new ATOM 0 HG2 GLN A 12 8.065 10.458 -3.517 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.579 9.553 -3.725 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.365 9.922 -5.503 1.00 0.00 H new ATOM 0 HE22 GLN A 12 5.552 11.312 -6.578 1.00 0.00 H new ATOM 58 N ILE A 13 3.916 9.562 -3.788 1.00 0.00 N ATOM 59 CA ILE A 13 3.457 8.410 -4.553 1.00 0.00 C ATOM 60 C ILE A 13 4.611 7.656 -5.204 1.00 0.00 C ATOM 61 O ILE A 13 5.498 8.254 -5.815 1.00 0.00 O ATOM 62 CB ILE A 13 2.474 8.856 -5.646 1.00 0.00 C ATOM 63 CG1 ILE A 13 1.322 9.643 -5.016 1.00 0.00 C ATOM 64 CG2 ILE A 13 1.956 7.666 -6.445 1.00 0.00 C ATOM 65 CD1 ILE A 13 0.260 8.772 -4.381 1.00 0.00 C ATOM 0 H ILE A 13 3.655 10.462 -4.191 1.00 0.00 H new ATOM 0 HA ILE A 13 2.962 7.739 -3.851 1.00 0.00 H new ATOM 0 HB ILE A 13 3.002 9.506 -6.344 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.726 10.316 -4.260 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.858 10.265 -5.782 1.00 0.00 H new ATOM 0 HG21 ILE A 13 1.263 8.015 -7.210 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.793 7.155 -6.920 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.441 6.976 -5.777 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.522 9.402 -3.957 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.173 8.116 -5.137 1.00 0.00 H new ATOM 0 HD13 ILE A 13 0.708 8.169 -3.591 1.00 0.00 H new ATOM 77 N TYR A 14 4.576 6.335 -5.084 1.00 0.00 N ATOM 78 CA TYR A 14 5.595 5.477 -5.671 1.00 0.00 C ATOM 79 C TYR A 14 4.959 4.532 -6.685 1.00 0.00 C ATOM 80 O TYR A 14 3.768 4.230 -6.596 1.00 0.00 O ATOM 81 CB TYR A 14 6.310 4.669 -4.584 1.00 0.00 C ATOM 82 CG TYR A 14 7.076 5.513 -3.585 1.00 0.00 C ATOM 83 CD1 TYR A 14 7.468 6.812 -3.890 1.00 0.00 C ATOM 84 CD2 TYR A 14 7.409 5.005 -2.336 1.00 0.00 C ATOM 85 CE1 TYR A 14 8.169 7.578 -2.979 1.00 0.00 C ATOM 86 CE2 TYR A 14 8.109 5.766 -1.419 1.00 0.00 C ATOM 87 CZ TYR A 14 8.487 7.051 -1.745 1.00 0.00 C ATOM 88 OH TYR A 14 9.184 7.811 -0.835 1.00 0.00 O ATOM 0 H TYR A 14 3.846 5.832 -4.581 1.00 0.00 H new ATOM 0 HA TYR A 14 6.328 6.106 -6.176 1.00 0.00 H new ATOM 0 HB2 TYR A 14 5.573 4.071 -4.048 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.001 3.973 -5.060 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.220 7.229 -4.855 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.116 3.998 -2.077 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.467 8.585 -3.232 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.359 5.356 -0.452 1.00 0.00 H new ATOM 0 HH TYR A 14 9.326 7.292 -0.016 1.00 0.00 H new ATOM 98 N PRO A 15 5.734 4.055 -7.671 1.00 0.00 N ATOM 99 CA PRO A 15 5.223 3.148 -8.699 1.00 0.00 C ATOM 100 C PRO A 15 5.083 1.712 -8.205 1.00 0.00 C ATOM 101 O PRO A 15 5.539 0.779 -8.862 1.00 0.00 O ATOM 102 CB PRO A 15 6.281 3.241 -9.795 1.00 0.00 C ATOM 103 CG PRO A 15 7.548 3.538 -9.068 1.00 0.00 C ATOM 104 CD PRO A 15 7.163 4.366 -7.867 1.00 0.00 C ATOM 0 HA PRO A 15 4.220 3.423 -9.024 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.354 2.309 -10.356 1.00 0.00 H new ATOM 0 HB3 PRO A 15 6.042 4.026 -10.512 1.00 0.00 H new ATOM 0 HG2 PRO A 15 8.046 2.618 -8.762 1.00 0.00 H new ATOM 0 HG3 PRO A 15 8.245 4.080 -9.707 1.00 0.00 H new ATOM 0 HD2 PRO A 15 7.754 4.100 -6.991 1.00 0.00 H new ATOM 0 HD3 PRO A 15 7.320 5.429 -8.047 1.00 0.00 H new ATOM 112 N TYR A 16 4.432 1.551 -7.054 1.00 0.00 N ATOM 113 CA TYR A 16 4.204 0.228 -6.459 1.00 0.00 C ATOM 114 C TYR A 16 5.487 -0.580 -6.330 1.00 0.00 C ATOM 115 O TYR A 16 5.990 -0.805 -5.232 1.00 0.00 O ATOM 116 CB TYR A 16 3.185 -0.556 -7.288 1.00 0.00 C ATOM 117 CG TYR A 16 2.778 -1.879 -6.670 1.00 0.00 C ATOM 118 CD1 TYR A 16 2.235 -1.940 -5.391 1.00 0.00 C ATOM 119 CD2 TYR A 16 2.924 -3.067 -7.375 1.00 0.00 C ATOM 120 CE1 TYR A 16 1.848 -3.145 -4.834 1.00 0.00 C ATOM 121 CE2 TYR A 16 2.542 -4.276 -6.825 1.00 0.00 C ATOM 122 CZ TYR A 16 2.003 -4.309 -5.556 1.00 0.00 C ATOM 123 OH TYR A 16 1.620 -5.512 -5.009 1.00 0.00 O ATOM 0 H TYR A 16 4.050 2.324 -6.509 1.00 0.00 H new ATOM 0 HA TYR A 16 3.817 0.394 -5.454 1.00 0.00 H new ATOM 0 HB2 TYR A 16 2.295 0.058 -7.427 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.602 -0.742 -8.278 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.113 -1.030 -4.823 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.343 -3.045 -8.370 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.427 -3.174 -3.840 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.665 -5.190 -7.386 1.00 0.00 H new ATOM 0 HH TYR A 16 1.040 -5.350 -4.236 1.00 0.00 H new ATOM 133 N GLU A 17 5.989 -1.025 -7.465 1.00 0.00 N ATOM 134 CA GLU A 17 7.208 -1.830 -7.539 1.00 0.00 C ATOM 135 C GLU A 17 8.314 -1.260 -6.660 1.00 0.00 C ATOM 136 O GLU A 17 9.201 -1.987 -6.211 1.00 0.00 O ATOM 137 CB GLU A 17 7.693 -1.916 -8.986 1.00 0.00 C ATOM 138 CG GLU A 17 7.061 -3.051 -9.775 1.00 0.00 C ATOM 139 CD GLU A 17 7.211 -2.873 -11.274 1.00 0.00 C ATOM 140 OE1 GLU A 17 6.453 -2.068 -11.855 1.00 0.00 O ATOM 141 OE2 GLU A 17 8.086 -3.540 -11.865 1.00 0.00 O ATOM 0 H GLU A 17 5.564 -0.840 -8.374 1.00 0.00 H new ATOM 0 HA GLU A 17 6.967 -2.828 -7.172 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.479 -0.973 -9.488 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.776 -2.041 -8.990 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.518 -3.994 -9.477 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.002 -3.117 -9.525 1.00 0.00 H new ATOM 148 N MET A 18 8.252 0.040 -6.411 1.00 0.00 N ATOM 149 CA MET A 18 9.246 0.702 -5.578 1.00 0.00 C ATOM 150 C MET A 18 9.167 0.185 -4.144 1.00 0.00 C ATOM 151 O MET A 18 10.092 0.363 -3.351 1.00 0.00 O ATOM 152 CB MET A 18 9.042 2.218 -5.605 1.00 0.00 C ATOM 153 CG MET A 18 9.988 2.942 -6.550 1.00 0.00 C ATOM 154 SD MET A 18 11.706 2.862 -6.008 1.00 0.00 S ATOM 155 CE MET A 18 11.735 4.162 -4.777 1.00 0.00 C ATOM 0 H MET A 18 7.525 0.657 -6.773 1.00 0.00 H new ATOM 0 HA MET A 18 10.235 0.477 -5.977 1.00 0.00 H new ATOM 0 HB2 MET A 18 8.014 2.433 -5.898 1.00 0.00 H new ATOM 0 HB3 MET A 18 9.176 2.612 -4.598 1.00 0.00 H new ATOM 0 HG2 MET A 18 9.904 2.507 -7.546 1.00 0.00 H new ATOM 0 HG3 MET A 18 9.685 3.986 -6.632 1.00 0.00 H new ATOM 0 HE1 MET A 18 12.735 4.235 -4.349 1.00 0.00 H new ATOM 0 HE2 MET A 18 11.469 5.111 -5.243 1.00 0.00 H new ATOM 0 HE3 MET A 18 11.019 3.932 -3.988 1.00 0.00 H new ATOM 165 N LEU A 19 8.043 -0.447 -3.826 1.00 0.00 N ATOM 166 CA LEU A 19 7.801 -0.992 -2.499 1.00 0.00 C ATOM 167 C LEU A 19 7.595 -2.505 -2.558 1.00 0.00 C ATOM 168 O LEU A 19 7.883 -3.220 -1.598 1.00 0.00 O ATOM 169 CB LEU A 19 6.555 -0.341 -1.912 1.00 0.00 C ATOM 170 CG LEU A 19 6.483 1.178 -2.051 1.00 0.00 C ATOM 171 CD1 LEU A 19 5.077 1.601 -2.454 1.00 0.00 C ATOM 172 CD2 LEU A 19 6.900 1.858 -0.752 1.00 0.00 C ATOM 0 H LEU A 19 7.276 -0.595 -4.481 1.00 0.00 H new ATOM 0 HA LEU A 19 8.670 -0.784 -1.874 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.678 -0.775 -2.393 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.497 -0.595 -0.854 1.00 0.00 H new ATOM 0 HG LEU A 19 7.177 1.490 -2.832 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.037 2.686 -2.550 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.819 1.142 -3.408 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.367 1.278 -1.692 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.842 2.940 -0.873 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.234 1.546 0.052 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.923 1.575 -0.505 1.00 0.00 H new ATOM 184 N VAL A 20 7.071 -2.977 -3.688 1.00 0.00 N ATOM 185 CA VAL A 20 6.791 -4.396 -3.891 1.00 0.00 C ATOM 186 C VAL A 20 7.912 -5.295 -3.379 1.00 0.00 C ATOM 187 O VAL A 20 8.858 -5.603 -4.105 1.00 0.00 O ATOM 188 CB VAL A 20 6.545 -4.700 -5.382 1.00 0.00 C ATOM 189 CG1 VAL A 20 6.434 -6.198 -5.628 1.00 0.00 C ATOM 190 CG2 VAL A 20 5.295 -3.986 -5.858 1.00 0.00 C ATOM 0 H VAL A 20 6.830 -2.388 -4.485 1.00 0.00 H new ATOM 0 HA VAL A 20 5.892 -4.613 -3.314 1.00 0.00 H new ATOM 0 HB VAL A 20 7.399 -4.334 -5.951 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.261 -6.381 -6.689 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.359 -6.686 -5.322 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.603 -6.601 -5.050 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.129 -4.207 -6.912 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.438 -4.326 -5.277 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.418 -2.911 -5.727 1.00 0.00 H new ATOM 200 N VAL A 21 7.782 -5.738 -2.133 1.00 0.00 N ATOM 201 CA VAL A 21 8.758 -6.625 -1.540 1.00 0.00 C ATOM 202 C VAL A 21 8.124 -7.979 -1.232 1.00 0.00 C ATOM 203 O VAL A 21 7.242 -8.084 -0.380 1.00 0.00 O ATOM 204 CB VAL A 21 9.355 -6.029 -0.247 1.00 0.00 C ATOM 205 CG1 VAL A 21 10.319 -7.007 0.409 1.00 0.00 C ATOM 206 CG2 VAL A 21 10.047 -4.706 -0.539 1.00 0.00 C ATOM 0 H VAL A 21 7.006 -5.493 -1.518 1.00 0.00 H new ATOM 0 HA VAL A 21 9.565 -6.754 -2.261 1.00 0.00 H new ATOM 0 HB VAL A 21 8.538 -5.844 0.450 1.00 0.00 H new ATOM 0 HG11 VAL A 21 10.726 -6.563 1.318 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.790 -7.926 0.660 1.00 0.00 H new ATOM 0 HG13 VAL A 21 11.133 -7.233 -0.280 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.462 -4.301 0.384 1.00 0.00 H new ATOM 0 HG22 VAL A 21 10.850 -4.867 -1.258 1.00 0.00 H new ATOM 0 HG23 VAL A 21 9.325 -4.001 -0.953 1.00 0.00 H new ATOM 216 N THR A 22 8.578 -9.010 -1.935 1.00 0.00 N ATOM 217 CA THR A 22 8.062 -10.351 -1.747 1.00 0.00 C ATOM 218 C THR A 22 9.095 -11.249 -1.073 1.00 0.00 C ATOM 219 O THR A 22 10.291 -10.956 -1.088 1.00 0.00 O ATOM 220 CB THR A 22 7.642 -10.950 -3.087 1.00 0.00 C ATOM 221 OG1 THR A 22 7.946 -10.069 -4.154 1.00 0.00 O ATOM 222 CG2 THR A 22 6.164 -11.270 -3.164 1.00 0.00 C ATOM 0 H THR A 22 9.308 -8.937 -2.644 1.00 0.00 H new ATOM 0 HA THR A 22 7.190 -10.287 -1.096 1.00 0.00 H new ATOM 0 HB THR A 22 8.205 -11.879 -3.172 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.670 -10.475 -5.002 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.934 -11.692 -4.142 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.907 -11.991 -2.388 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.586 -10.358 -3.017 1.00 0.00 H new ATOM 230 N ASN A 23 8.624 -12.343 -0.484 1.00 0.00 N ATOM 231 CA ASN A 23 9.505 -13.288 0.195 1.00 0.00 C ATOM 232 C ASN A 23 10.320 -12.594 1.281 1.00 0.00 C ATOM 233 O ASN A 23 10.343 -11.365 1.365 1.00 0.00 O ATOM 234 CB ASN A 23 10.440 -13.958 -0.814 1.00 0.00 C ATOM 235 CG ASN A 23 9.699 -14.877 -1.765 1.00 0.00 C ATOM 236 OD1 ASN A 23 9.765 -14.712 -2.984 1.00 0.00 O ATOM 237 ND2 ASN A 23 8.987 -15.851 -1.212 1.00 0.00 N ATOM 0 H ASN A 23 7.637 -12.598 -0.463 1.00 0.00 H new ATOM 0 HA ASN A 23 8.884 -14.049 0.667 1.00 0.00 H new ATOM 0 HB2 ASN A 23 10.962 -13.191 -1.386 1.00 0.00 H new ATOM 0 HB3 ASN A 23 11.199 -14.529 -0.279 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.466 -16.500 -1.802 1.00 0.00 H new ATOM 0 HD22 ASN A 23 8.961 -15.951 -0.197 1.00 0.00 H new ATOM 244 N LYS A 24 10.989 -13.387 2.112 1.00 0.00 N ATOM 245 CA LYS A 24 11.807 -12.852 3.194 1.00 0.00 C ATOM 246 C LYS A 24 12.797 -11.815 2.672 1.00 0.00 C ATOM 247 O LYS A 24 13.222 -11.873 1.518 1.00 0.00 O ATOM 248 CB LYS A 24 12.558 -13.982 3.900 1.00 0.00 C ATOM 249 CG LYS A 24 13.351 -14.870 2.953 1.00 0.00 C ATOM 250 CD LYS A 24 12.828 -16.301 2.952 1.00 0.00 C ATOM 251 CE LYS A 24 12.027 -16.605 1.695 1.00 0.00 C ATOM 252 NZ LYS A 24 12.588 -17.760 0.942 1.00 0.00 N ATOM 0 H LYS A 24 10.980 -14.405 2.056 1.00 0.00 H new ATOM 0 HA LYS A 24 11.143 -12.364 3.908 1.00 0.00 H new ATOM 0 HB2 LYS A 24 13.237 -13.552 4.636 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.843 -14.596 4.447 1.00 0.00 H new ATOM 0 HG2 LYS A 24 13.299 -14.463 1.943 1.00 0.00 H new ATOM 0 HG3 LYS A 24 14.401 -14.867 3.245 1.00 0.00 H new ATOM 0 HD2 LYS A 24 13.665 -16.995 3.027 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.202 -16.461 3.830 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.993 -16.817 1.967 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.014 -15.725 1.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.013 -17.933 0.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.566 -17.548 0.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.577 -18.606 1.546 1.00 0.00 H new ATOM 266 N GLY A 25 13.161 -10.867 3.530 1.00 0.00 N ATOM 267 CA GLY A 25 14.098 -9.831 3.137 1.00 0.00 C ATOM 268 C GLY A 25 14.267 -8.767 4.203 1.00 0.00 C ATOM 269 O GLY A 25 15.374 -8.284 4.437 1.00 0.00 O ATOM 0 H GLY A 25 12.824 -10.798 4.490 1.00 0.00 H new ATOM 0 HA2 GLY A 25 15.066 -10.283 2.923 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.753 -9.365 2.214 1.00 0.00 H new ATOM 273 N ARG A 26 13.164 -8.404 4.855 1.00 0.00 N ATOM 274 CA ARG A 26 13.183 -7.395 5.909 1.00 0.00 C ATOM 275 C ARG A 26 14.023 -6.184 5.507 1.00 0.00 C ATOM 276 O ARG A 26 14.616 -5.520 6.356 1.00 0.00 O ATOM 277 CB ARG A 26 13.724 -8.006 7.198 1.00 0.00 C ATOM 278 CG ARG A 26 12.711 -8.856 7.950 1.00 0.00 C ATOM 279 CD ARG A 26 11.407 -8.107 8.180 1.00 0.00 C ATOM 280 NE ARG A 26 10.552 -8.784 9.152 1.00 0.00 N ATOM 281 CZ ARG A 26 9.393 -8.295 9.589 1.00 0.00 C ATOM 282 NH1 ARG A 26 8.948 -7.126 9.144 1.00 0.00 N ATOM 283 NH2 ARG A 26 8.678 -8.977 10.473 1.00 0.00 N ATOM 0 H ARG A 26 12.241 -8.797 4.669 1.00 0.00 H new ATOM 0 HA ARG A 26 12.161 -7.052 6.070 1.00 0.00 H new ATOM 0 HB2 ARG A 26 14.593 -8.619 6.961 1.00 0.00 H new ATOM 0 HB3 ARG A 26 14.068 -7.205 7.852 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.512 -9.768 7.387 1.00 0.00 H new ATOM 0 HG3 ARG A 26 13.131 -9.159 8.909 1.00 0.00 H new ATOM 0 HD2 ARG A 26 11.625 -7.098 8.530 1.00 0.00 H new ATOM 0 HD3 ARG A 26 10.874 -8.008 7.234 1.00 0.00 H new ATOM 0 HE ARG A 26 10.861 -9.685 9.518 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.495 -6.598 8.464 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.060 -6.756 9.482 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.016 -9.876 10.818 1.00 0.00 H new ATOM 0 HH22 ARG A 26 7.790 -8.603 10.808 1.00 0.00 H new ATOM 297 N THR A 27 14.074 -5.909 4.207 1.00 0.00 N ATOM 298 CA THR A 27 14.844 -4.785 3.695 1.00 0.00 C ATOM 299 C THR A 27 14.240 -3.457 4.121 1.00 0.00 C ATOM 300 O THR A 27 13.075 -3.380 4.510 1.00 0.00 O ATOM 301 CB THR A 27 14.968 -4.832 2.169 1.00 0.00 C ATOM 302 OG1 THR A 27 15.122 -3.530 1.638 1.00 0.00 O ATOM 303 CG2 THR A 27 13.786 -5.473 1.471 1.00 0.00 C ATOM 0 H THR A 27 13.590 -6.450 3.490 1.00 0.00 H new ATOM 0 HA THR A 27 15.842 -4.869 4.125 1.00 0.00 H new ATOM 0 HB THR A 27 15.847 -5.449 1.982 1.00 0.00 H new ATOM 0 HG1 THR A 27 15.201 -3.582 0.663 1.00 0.00 H new ATOM 0 HG21 THR A 27 13.952 -5.467 0.394 1.00 0.00 H new ATOM 0 HG22 THR A 27 13.674 -6.501 1.815 1.00 0.00 H new ATOM 0 HG23 THR A 27 12.880 -4.913 1.701 1.00 0.00 H new ATOM 311 N LYS A 28 15.053 -2.414 4.041 1.00 0.00 N ATOM 312 CA LYS A 28 14.620 -1.072 4.412 1.00 0.00 C ATOM 313 C LYS A 28 13.767 -0.454 3.310 1.00 0.00 C ATOM 314 O LYS A 28 14.087 -0.566 2.127 1.00 0.00 O ATOM 315 CB LYS A 28 15.832 -0.183 4.698 1.00 0.00 C ATOM 316 CG LYS A 28 16.710 -0.696 5.829 1.00 0.00 C ATOM 317 CD LYS A 28 16.545 0.136 7.092 1.00 0.00 C ATOM 318 CE LYS A 28 17.828 0.870 7.450 1.00 0.00 C ATOM 319 NZ LYS A 28 18.863 -0.055 7.991 1.00 0.00 N ATOM 0 H LYS A 28 16.020 -2.470 3.721 1.00 0.00 H new ATOM 0 HA LYS A 28 14.015 -1.147 5.315 1.00 0.00 H new ATOM 0 HB2 LYS A 28 16.433 -0.099 3.792 1.00 0.00 H new ATOM 0 HB3 LYS A 28 15.486 0.821 4.945 1.00 0.00 H new ATOM 0 HG2 LYS A 28 16.458 -1.735 6.042 1.00 0.00 H new ATOM 0 HG3 LYS A 28 17.754 -0.679 5.516 1.00 0.00 H new ATOM 0 HD2 LYS A 28 15.740 0.857 6.951 1.00 0.00 H new ATOM 0 HD3 LYS A 28 16.252 -0.511 7.919 1.00 0.00 H new ATOM 0 HE2 LYS A 28 18.218 1.373 6.565 1.00 0.00 H new ATOM 0 HE3 LYS A 28 17.611 1.643 8.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 19.722 0.483 8.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 18.501 -0.517 8.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 19.089 -0.778 7.278 1.00 0.00 H new ATOM 333 N LEU A 29 12.677 0.195 3.707 1.00 0.00 N ATOM 334 CA LEU A 29 11.774 0.825 2.759 1.00 0.00 C ATOM 335 C LEU A 29 12.314 2.175 2.294 1.00 0.00 C ATOM 336 O LEU A 29 13.191 2.755 2.934 1.00 0.00 O ATOM 337 CB LEU A 29 10.394 1.023 3.386 1.00 0.00 C ATOM 338 CG LEU A 29 9.877 -0.147 4.222 1.00 0.00 C ATOM 339 CD1 LEU A 29 8.654 0.279 5.021 1.00 0.00 C ATOM 340 CD2 LEU A 29 9.554 -1.337 3.330 1.00 0.00 C ATOM 0 H LEU A 29 12.400 0.297 4.683 1.00 0.00 H new ATOM 0 HA LEU A 29 11.691 0.164 1.896 1.00 0.00 H new ATOM 0 HB2 LEU A 29 10.425 1.912 4.016 1.00 0.00 H new ATOM 0 HB3 LEU A 29 9.677 1.222 2.589 1.00 0.00 H new ATOM 0 HG LEU A 29 10.656 -0.450 4.921 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.295 -0.563 5.613 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.921 1.101 5.685 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.869 0.604 4.339 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.187 -2.161 3.942 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.789 -1.053 2.607 1.00 0.00 H new ATOM 0 HD23 LEU A 29 10.454 -1.650 2.801 1.00 0.00 H new ATOM 352 N PRO A 30 11.784 2.698 1.175 1.00 0.00 N ATOM 353 CA PRO A 30 12.205 3.994 0.632 1.00 0.00 C ATOM 354 C PRO A 30 12.242 5.082 1.703 1.00 0.00 C ATOM 355 O PRO A 30 11.755 4.882 2.816 1.00 0.00 O ATOM 356 CB PRO A 30 11.126 4.298 -0.409 1.00 0.00 C ATOM 357 CG PRO A 30 10.658 2.959 -0.859 1.00 0.00 C ATOM 358 CD PRO A 30 10.725 2.074 0.355 1.00 0.00 C ATOM 0 HA PRO A 30 13.215 3.965 0.224 1.00 0.00 H new ATOM 0 HB2 PRO A 30 10.311 4.880 0.022 1.00 0.00 H new ATOM 0 HB3 PRO A 30 11.528 4.878 -1.240 1.00 0.00 H new ATOM 0 HG2 PRO A 30 9.642 3.011 -1.250 1.00 0.00 H new ATOM 0 HG3 PRO A 30 11.288 2.573 -1.660 1.00 0.00 H new ATOM 0 HD2 PRO A 30 9.772 2.044 0.884 1.00 0.00 H new ATOM 0 HD3 PRO A 30 10.975 1.047 0.090 1.00 0.00 H new ATOM 366 N PRO A 31 12.823 6.251 1.386 1.00 0.00 N ATOM 367 CA PRO A 31 12.920 7.365 2.334 1.00 0.00 C ATOM 368 C PRO A 31 11.554 7.907 2.739 1.00 0.00 C ATOM 369 O PRO A 31 11.000 8.785 2.075 1.00 0.00 O ATOM 370 CB PRO A 31 13.712 8.430 1.566 1.00 0.00 C ATOM 371 CG PRO A 31 13.545 8.074 0.129 1.00 0.00 C ATOM 372 CD PRO A 31 13.433 6.578 0.085 1.00 0.00 C ATOM 0 HA PRO A 31 13.392 7.058 3.267 1.00 0.00 H new ATOM 0 HB2 PRO A 31 13.330 9.430 1.772 1.00 0.00 H new ATOM 0 HB3 PRO A 31 14.763 8.424 1.854 1.00 0.00 H new ATOM 0 HG2 PRO A 31 12.655 8.545 -0.289 1.00 0.00 H new ATOM 0 HG3 PRO A 31 14.395 8.419 -0.460 1.00 0.00 H new ATOM 0 HD2 PRO A 31 12.812 6.244 -0.747 1.00 0.00 H new ATOM 0 HD3 PRO A 31 14.407 6.104 -0.034 1.00 0.00 H new ATOM 380 N GLY A 32 11.016 7.382 3.836 1.00 0.00 N ATOM 381 CA GLY A 32 9.721 7.827 4.316 1.00 0.00 C ATOM 382 C GLY A 32 8.589 6.916 3.881 1.00 0.00 C ATOM 383 O GLY A 32 7.720 7.322 3.110 1.00 0.00 O ATOM 0 H GLY A 32 11.455 6.655 4.401 1.00 0.00 H new ATOM 0 HA2 GLY A 32 9.741 7.880 5.405 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.530 8.836 3.951 1.00 0.00 H new ATOM 387 N VAL A 33 8.600 5.681 4.374 1.00 0.00 N ATOM 388 CA VAL A 33 7.581 4.713 4.039 1.00 0.00 C ATOM 389 C VAL A 33 6.874 4.199 5.269 1.00 0.00 C ATOM 390 O VAL A 33 7.428 4.168 6.367 1.00 0.00 O ATOM 391 CB VAL A 33 8.155 3.541 3.241 1.00 0.00 C ATOM 392 CG1 VAL A 33 7.132 2.423 3.083 1.00 0.00 C ATOM 393 CG2 VAL A 33 8.639 4.028 1.892 1.00 0.00 C ATOM 0 H VAL A 33 9.315 5.332 5.013 1.00 0.00 H new ATOM 0 HA VAL A 33 6.854 5.232 3.415 1.00 0.00 H new ATOM 0 HB VAL A 33 9.001 3.129 3.792 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.572 1.606 2.511 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.836 2.059 4.067 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.256 2.803 2.558 1.00 0.00 H new ATOM 0 HG21 VAL A 33 9.047 3.190 1.327 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.805 4.464 1.342 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.414 4.781 2.034 1.00 0.00 H new ATOM 403 N ASP A 34 5.630 3.815 5.066 1.00 0.00 N ATOM 404 CA ASP A 34 4.802 3.319 6.135 1.00 0.00 C ATOM 405 C ASP A 34 4.565 1.820 5.994 1.00 0.00 C ATOM 406 O ASP A 34 3.685 1.387 5.250 1.00 0.00 O ATOM 407 CB ASP A 34 3.478 4.072 6.107 1.00 0.00 C ATOM 408 CG ASP A 34 3.036 4.537 7.483 1.00 0.00 C ATOM 409 OD1 ASP A 34 3.773 4.294 8.460 1.00 0.00 O ATOM 410 OD2 ASP A 34 1.949 5.146 7.579 1.00 0.00 O ATOM 0 H ASP A 34 5.170 3.840 4.156 1.00 0.00 H new ATOM 0 HA ASP A 34 5.305 3.481 7.089 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.571 4.936 5.449 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.708 3.428 5.681 1.00 0.00 H new ATOM 415 N ARG A 35 5.352 1.032 6.717 1.00 0.00 N ATOM 416 CA ARG A 35 5.223 -0.420 6.676 1.00 0.00 C ATOM 417 C ARG A 35 3.797 -0.844 7.012 1.00 0.00 C ATOM 418 O ARG A 35 3.312 -1.869 6.535 1.00 0.00 O ATOM 419 CB ARG A 35 6.207 -1.069 7.654 1.00 0.00 C ATOM 420 CG ARG A 35 6.098 -0.536 9.073 1.00 0.00 C ATOM 421 CD ARG A 35 7.203 -1.085 9.960 1.00 0.00 C ATOM 422 NE ARG A 35 8.395 -0.240 9.940 1.00 0.00 N ATOM 423 CZ ARG A 35 8.441 0.987 10.453 1.00 0.00 C ATOM 424 NH1 ARG A 35 7.365 1.519 11.019 1.00 0.00 N ATOM 425 NH2 ARG A 35 9.567 1.687 10.398 1.00 0.00 N ATOM 0 H ARG A 35 6.086 1.373 7.338 1.00 0.00 H new ATOM 0 HA ARG A 35 5.456 -0.755 5.665 1.00 0.00 H new ATOM 0 HB2 ARG A 35 6.037 -2.146 7.666 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.223 -0.910 7.293 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.148 0.553 9.059 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.128 -0.805 9.490 1.00 0.00 H new ATOM 0 HD2 ARG A 35 6.837 -1.171 10.983 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.466 -2.090 9.630 1.00 0.00 H new ATOM 0 HE ARG A 35 9.241 -0.612 9.508 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.496 0.987 11.063 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.407 2.460 11.410 1.00 0.00 H new ATOM 0 HH21 ARG A 35 10.397 1.285 9.963 1.00 0.00 H new ATOM 0 HH22 ARG A 35 9.603 2.628 10.791 1.00 0.00 H new ATOM 439 N MET A 36 3.130 -0.046 7.842 1.00 0.00 N ATOM 440 CA MET A 36 1.766 -0.329 8.248 1.00 0.00 C ATOM 441 C MET A 36 0.752 0.346 7.320 1.00 0.00 C ATOM 442 O MET A 36 -0.447 0.082 7.408 1.00 0.00 O ATOM 443 CB MET A 36 1.535 0.128 9.690 1.00 0.00 C ATOM 444 CG MET A 36 2.688 -0.198 10.626 1.00 0.00 C ATOM 445 SD MET A 36 2.145 -0.490 12.320 1.00 0.00 S ATOM 446 CE MET A 36 1.065 -1.901 12.091 1.00 0.00 C ATOM 0 H MET A 36 3.520 0.806 8.246 1.00 0.00 H new ATOM 0 HA MET A 36 1.620 -1.407 8.183 1.00 0.00 H new ATOM 0 HB2 MET A 36 1.365 1.205 9.698 1.00 0.00 H new ATOM 0 HB3 MET A 36 0.627 -0.341 10.069 1.00 0.00 H new ATOM 0 HG2 MET A 36 3.211 -1.081 10.259 1.00 0.00 H new ATOM 0 HG3 MET A 36 3.404 0.624 10.614 1.00 0.00 H new ATOM 0 HE1 MET A 36 1.101 -2.535 12.977 1.00 0.00 H new ATOM 0 HE2 MET A 36 0.043 -1.555 11.934 1.00 0.00 H new ATOM 0 HE3 MET A 36 1.392 -2.473 11.223 1.00 0.00 H new ATOM 456 N ARG A 37 1.235 1.216 6.435 1.00 0.00 N ATOM 457 CA ARG A 37 0.363 1.918 5.501 1.00 0.00 C ATOM 458 C ARG A 37 1.091 2.200 4.191 1.00 0.00 C ATOM 459 O ARG A 37 1.422 3.346 3.885 1.00 0.00 O ATOM 460 CB ARG A 37 -0.135 3.226 6.121 1.00 0.00 C ATOM 461 CG ARG A 37 -1.542 3.134 6.684 1.00 0.00 C ATOM 462 CD ARG A 37 -1.527 2.755 8.156 1.00 0.00 C ATOM 463 NE ARG A 37 -1.532 3.931 9.024 1.00 0.00 N ATOM 464 CZ ARG A 37 -1.855 3.897 10.316 1.00 0.00 C ATOM 465 NH1 ARG A 37 -2.193 2.751 10.893 1.00 0.00 N ATOM 466 NH2 ARG A 37 -1.836 5.013 11.031 1.00 0.00 N ATOM 0 H ARG A 37 2.224 1.450 6.347 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.495 1.280 5.288 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.547 3.524 6.917 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.105 4.011 5.365 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.049 4.091 6.558 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.113 2.395 6.122 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.395 2.135 8.380 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.643 2.153 8.366 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.273 4.830 8.617 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.207 1.890 10.347 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.439 2.731 11.883 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -1.574 5.896 10.592 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -2.083 4.989 12.020 1.00 0.00 H new ATOM 480 N LEU A 38 1.338 1.147 3.423 1.00 0.00 N ATOM 481 CA LEU A 38 2.030 1.271 2.149 1.00 0.00 C ATOM 482 C LEU A 38 1.094 1.793 1.068 1.00 0.00 C ATOM 483 O LEU A 38 1.519 2.440 0.110 1.00 0.00 O ATOM 484 CB LEU A 38 2.590 -0.093 1.736 1.00 0.00 C ATOM 485 CG LEU A 38 4.113 -0.259 1.823 1.00 0.00 C ATOM 486 CD1 LEU A 38 4.826 1.037 1.475 1.00 0.00 C ATOM 487 CD2 LEU A 38 4.514 -0.730 3.213 1.00 0.00 C ATOM 0 H LEU A 38 1.067 0.193 3.663 1.00 0.00 H new ATOM 0 HA LEU A 38 2.846 1.984 2.266 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.127 -0.856 2.361 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.283 -0.292 0.709 1.00 0.00 H new ATOM 0 HG LEU A 38 4.414 -1.013 1.096 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.904 0.890 1.545 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.566 1.334 0.459 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.521 1.818 2.171 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.597 -0.844 3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.193 0.004 3.952 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.039 -1.688 3.423 1.00 0.00 H new ATOM 499 N GLU A 39 -0.180 1.500 1.239 1.00 0.00 N ATOM 500 CA GLU A 39 -1.216 1.921 0.295 1.00 0.00 C ATOM 501 C GLU A 39 -1.111 3.415 0.003 1.00 0.00 C ATOM 502 O GLU A 39 -1.503 3.880 -1.068 1.00 0.00 O ATOM 503 CB GLU A 39 -2.605 1.593 0.851 1.00 0.00 C ATOM 504 CG GLU A 39 -3.021 2.470 2.021 1.00 0.00 C ATOM 505 CD GLU A 39 -2.121 2.295 3.228 1.00 0.00 C ATOM 506 OE1 GLU A 39 -2.088 1.179 3.787 1.00 0.00 O ATOM 507 OE2 GLU A 39 -1.450 3.275 3.615 1.00 0.00 O ATOM 0 H GLU A 39 -0.534 0.965 2.032 1.00 0.00 H new ATOM 0 HA GLU A 39 -1.067 1.376 -0.637 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.339 1.697 0.052 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.623 0.550 1.167 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.007 3.515 1.710 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.048 2.234 2.300 1.00 0.00 H new ATOM 514 N ARG A 40 -0.581 4.161 0.967 1.00 0.00 N ATOM 515 CA ARG A 40 -0.424 5.601 0.821 1.00 0.00 C ATOM 516 C ARG A 40 0.664 5.953 -0.192 1.00 0.00 C ATOM 517 O ARG A 40 0.853 7.121 -0.531 1.00 0.00 O ATOM 518 CB ARG A 40 -0.106 6.241 2.174 1.00 0.00 C ATOM 519 CG ARG A 40 -1.167 5.980 3.235 1.00 0.00 C ATOM 520 CD ARG A 40 -1.747 7.274 3.786 1.00 0.00 C ATOM 521 NE ARG A 40 -1.307 7.531 5.156 1.00 0.00 N ATOM 522 CZ ARG A 40 -1.621 8.627 5.842 1.00 0.00 C ATOM 523 NH1 ARG A 40 -2.375 9.571 5.291 1.00 0.00 N ATOM 524 NH2 ARG A 40 -1.181 8.781 7.083 1.00 0.00 N ATOM 0 H ARG A 40 -0.253 3.790 1.859 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.368 5.997 0.447 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.852 5.863 2.529 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.006 7.317 2.041 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.967 5.376 2.807 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.732 5.401 4.050 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.449 8.106 3.147 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.836 7.224 3.758 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.725 6.829 5.613 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.717 9.458 4.337 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.612 10.409 5.822 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.602 8.059 7.512 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.422 9.621 7.609 1.00 0.00 H new ATOM 538 N HIS A 41 1.373 4.940 -0.674 1.00 0.00 N ATOM 539 CA HIS A 41 2.439 5.146 -1.649 1.00 0.00 C ATOM 540 C HIS A 41 1.957 4.825 -3.058 1.00 0.00 C ATOM 541 O HIS A 41 2.408 5.428 -4.031 1.00 0.00 O ATOM 542 CB HIS A 41 3.646 4.277 -1.304 1.00 0.00 C ATOM 543 CG HIS A 41 4.407 4.757 -0.109 1.00 0.00 C ATOM 544 ND1 HIS A 41 5.387 5.722 -0.176 1.00 0.00 N ATOM 545 CD2 HIS A 41 4.322 4.401 1.191 1.00 0.00 C ATOM 546 CE1 HIS A 41 5.870 5.938 1.035 1.00 0.00 C ATOM 547 NE2 HIS A 41 5.236 5.150 1.883 1.00 0.00 N ATOM 0 H HIS A 41 1.230 3.966 -0.406 1.00 0.00 H new ATOM 0 HA HIS A 41 2.731 6.196 -1.614 1.00 0.00 H new ATOM 0 HB2 HIS A 41 3.309 3.256 -1.124 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.317 4.244 -2.162 1.00 0.00 H new ATOM 0 HD1 HIS A 41 5.692 6.196 -1.026 1.00 0.00 H new ATOM 0 HD2 HIS A 41 3.655 3.661 1.608 1.00 0.00 H new ATOM 0 HE1 HIS A 41 6.651 6.640 1.288 1.00 0.00 H new ATOM 556 N LEU A 42 1.038 3.871 -3.164 1.00 0.00 N ATOM 557 CA LEU A 42 0.496 3.470 -4.443 1.00 0.00 C ATOM 558 C LEU A 42 -0.139 4.644 -5.160 1.00 0.00 C ATOM 559 O LEU A 42 -0.906 5.408 -4.574 1.00 0.00 O ATOM 560 CB LEU A 42 -0.562 2.395 -4.227 1.00 0.00 C ATOM 561 CG LEU A 42 -0.125 0.952 -4.470 1.00 0.00 C ATOM 562 CD1 LEU A 42 -1.340 0.117 -4.813 1.00 0.00 C ATOM 563 CD2 LEU A 42 0.899 0.866 -5.592 1.00 0.00 C ATOM 0 H LEU A 42 0.655 3.361 -2.368 1.00 0.00 H new ATOM 0 HA LEU A 42 1.313 3.087 -5.055 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.925 2.474 -3.202 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.407 2.611 -4.881 1.00 0.00 H new ATOM 0 HG LEU A 42 0.344 0.572 -3.562 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.035 -0.915 -4.988 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.050 0.150 -3.986 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.812 0.513 -5.712 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.190 -0.174 -5.740 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.464 1.256 -6.512 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.778 1.454 -5.328 1.00 0.00 H new ATOM 575 N SER A 43 0.152 4.754 -6.447 1.00 0.00 N ATOM 576 CA SER A 43 -0.430 5.804 -7.254 1.00 0.00 C ATOM 577 C SER A 43 -1.883 5.475 -7.511 1.00 0.00 C ATOM 578 O SER A 43 -2.315 4.339 -7.322 1.00 0.00 O ATOM 579 CB SER A 43 0.304 5.956 -8.577 1.00 0.00 C ATOM 580 OG SER A 43 0.741 7.288 -8.777 1.00 0.00 O ATOM 0 H SER A 43 0.785 4.131 -6.949 1.00 0.00 H new ATOM 0 HA SER A 43 -0.345 6.747 -6.715 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.161 5.283 -8.598 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.353 5.661 -9.395 1.00 0.00 H new ATOM 0 HG SER A 43 0.007 7.906 -8.578 1.00 0.00 H new ATOM 586 N ALA A 44 -2.632 6.462 -7.946 1.00 0.00 N ATOM 587 CA ALA A 44 -4.039 6.257 -8.234 1.00 0.00 C ATOM 588 C ALA A 44 -4.206 5.226 -9.336 1.00 0.00 C ATOM 589 O ALA A 44 -5.164 4.453 -9.347 1.00 0.00 O ATOM 590 CB ALA A 44 -4.696 7.567 -8.627 1.00 0.00 C ATOM 0 H ALA A 44 -2.296 7.411 -8.109 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.528 5.884 -7.334 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.751 7.395 -8.840 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.602 8.281 -7.809 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.207 7.967 -9.515 1.00 0.00 H new ATOM 596 N GLU A 45 -3.251 5.216 -10.254 1.00 0.00 N ATOM 597 CA GLU A 45 -3.257 4.288 -11.352 1.00 0.00 C ATOM 598 C GLU A 45 -2.880 2.901 -10.861 1.00 0.00 C ATOM 599 O GLU A 45 -3.175 1.901 -11.515 1.00 0.00 O ATOM 600 CB GLU A 45 -2.285 4.741 -12.441 1.00 0.00 C ATOM 601 CG GLU A 45 -2.496 6.181 -12.884 1.00 0.00 C ATOM 602 CD GLU A 45 -2.544 6.326 -14.393 1.00 0.00 C ATOM 603 OE1 GLU A 45 -3.494 5.799 -15.010 1.00 0.00 O ATOM 604 OE2 GLU A 45 -1.633 6.967 -14.956 1.00 0.00 O ATOM 0 H GLU A 45 -2.455 5.854 -10.250 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.261 4.256 -11.775 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.264 4.628 -12.076 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.389 4.085 -13.305 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.426 6.556 -12.457 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.691 6.801 -12.489 1.00 0.00 H new ATOM 611 N ASP A 46 -2.223 2.841 -9.701 1.00 0.00 N ATOM 612 CA ASP A 46 -1.818 1.576 -9.146 1.00 0.00 C ATOM 613 C ASP A 46 -2.843 1.050 -8.167 1.00 0.00 C ATOM 614 O ASP A 46 -3.191 -0.122 -8.216 1.00 0.00 O ATOM 615 CB ASP A 46 -0.454 1.665 -8.461 1.00 0.00 C ATOM 616 CG ASP A 46 0.685 1.821 -9.449 1.00 0.00 C ATOM 617 OD1 ASP A 46 0.421 2.229 -10.599 1.00 0.00 O ATOM 618 OD2 ASP A 46 1.841 1.534 -9.073 1.00 0.00 O ATOM 0 H ASP A 46 -1.968 3.655 -9.141 1.00 0.00 H new ATOM 0 HA ASP A 46 -1.739 0.882 -9.983 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.452 2.510 -7.773 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -0.292 0.768 -7.864 1.00 0.00 H new ATOM 623 N PHE A 47 -3.341 1.905 -7.279 1.00 0.00 N ATOM 624 CA PHE A 47 -4.336 1.457 -6.323 1.00 0.00 C ATOM 625 C PHE A 47 -5.538 0.902 -7.058 1.00 0.00 C ATOM 626 O PHE A 47 -5.962 -0.233 -6.843 1.00 0.00 O ATOM 627 CB PHE A 47 -4.769 2.593 -5.400 1.00 0.00 C ATOM 628 CG PHE A 47 -5.825 2.162 -4.432 1.00 0.00 C ATOM 629 CD1 PHE A 47 -7.143 2.042 -4.839 1.00 0.00 C ATOM 630 CD2 PHE A 47 -5.497 1.851 -3.127 1.00 0.00 C ATOM 631 CE1 PHE A 47 -8.116 1.619 -3.960 1.00 0.00 C ATOM 632 CE2 PHE A 47 -6.465 1.429 -2.242 1.00 0.00 C ATOM 633 CZ PHE A 47 -7.778 1.312 -2.660 1.00 0.00 C ATOM 0 H PHE A 47 -3.077 2.888 -7.204 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.890 0.675 -5.708 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.903 2.962 -4.850 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.144 3.423 -5.999 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -7.411 2.283 -5.857 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -4.472 1.939 -2.797 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -9.141 1.528 -4.289 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.199 1.190 -1.223 1.00 0.00 H new ATOM 0 HZ PHE A 47 -8.538 0.980 -1.968 1.00 0.00 H new ATOM 643 N SER A 48 -6.067 1.731 -7.926 1.00 0.00 N ATOM 644 CA SER A 48 -7.226 1.379 -8.734 1.00 0.00 C ATOM 645 C SER A 48 -7.009 0.080 -9.492 1.00 0.00 C ATOM 646 O SER A 48 -7.951 -0.674 -9.738 1.00 0.00 O ATOM 647 CB SER A 48 -7.559 2.509 -9.710 1.00 0.00 C ATOM 648 OG SER A 48 -8.918 2.456 -10.109 1.00 0.00 O ATOM 0 H SER A 48 -5.711 2.671 -8.097 1.00 0.00 H new ATOM 0 HA SER A 48 -8.067 1.233 -8.056 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.352 3.471 -9.241 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.916 2.437 -10.587 1.00 0.00 H new ATOM 0 HG SER A 48 -9.105 3.190 -10.731 1.00 0.00 H new ATOM 654 N ARG A 49 -5.768 -0.174 -9.862 1.00 0.00 N ATOM 655 CA ARG A 49 -5.425 -1.377 -10.595 1.00 0.00 C ATOM 656 C ARG A 49 -4.965 -2.491 -9.664 1.00 0.00 C ATOM 657 O ARG A 49 -4.961 -3.667 -10.029 1.00 0.00 O ATOM 658 CB ARG A 49 -4.339 -1.079 -11.630 1.00 0.00 C ATOM 659 CG ARG A 49 -4.886 -0.814 -13.025 1.00 0.00 C ATOM 660 CD ARG A 49 -3.887 -0.051 -13.880 1.00 0.00 C ATOM 661 NE ARG A 49 -2.602 -0.739 -13.968 1.00 0.00 N ATOM 662 CZ ARG A 49 -1.684 -0.479 -14.896 1.00 0.00 C ATOM 663 NH1 ARG A 49 -1.904 0.454 -15.814 1.00 0.00 N ATOM 664 NH2 ARG A 49 -0.542 -1.152 -14.906 1.00 0.00 N ATOM 0 H ARG A 49 -4.978 0.440 -9.666 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.326 -1.717 -11.106 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.765 -0.212 -11.303 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.648 -1.921 -11.673 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.131 -1.761 -13.507 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -5.813 -0.245 -12.951 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.295 0.083 -14.882 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.737 0.944 -13.461 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.396 -1.461 -13.278 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.780 0.976 -15.811 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.197 0.649 -16.523 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.367 -1.869 -14.202 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.161 -0.953 -15.617 1.00 0.00 H new ATOM 678 N VAL A 50 -4.554 -2.100 -8.474 1.00 0.00 N ATOM 679 CA VAL A 50 -4.054 -3.024 -7.477 1.00 0.00 C ATOM 680 C VAL A 50 -5.173 -3.630 -6.642 1.00 0.00 C ATOM 681 O VAL A 50 -5.194 -4.837 -6.401 1.00 0.00 O ATOM 682 CB VAL A 50 -3.046 -2.311 -6.555 1.00 0.00 C ATOM 683 CG1 VAL A 50 -2.883 -3.008 -5.212 1.00 0.00 C ATOM 684 CG2 VAL A 50 -1.707 -2.211 -7.251 1.00 0.00 C ATOM 0 H VAL A 50 -4.558 -1.126 -8.170 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.560 -3.838 -8.008 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.440 -1.316 -6.350 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.161 -2.462 -4.604 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.844 -3.036 -4.698 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.527 -4.026 -5.371 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.994 -1.707 -6.598 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.342 -3.212 -7.483 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.818 -1.643 -8.174 1.00 0.00 H new ATOM 694 N PHE A 51 -6.085 -2.787 -6.180 1.00 0.00 N ATOM 695 CA PHE A 51 -7.180 -3.248 -5.350 1.00 0.00 C ATOM 696 C PHE A 51 -8.512 -3.178 -6.090 1.00 0.00 C ATOM 697 O PHE A 51 -9.563 -3.465 -5.518 1.00 0.00 O ATOM 698 CB PHE A 51 -7.252 -2.411 -4.074 1.00 0.00 C ATOM 699 CG PHE A 51 -5.947 -2.333 -3.335 1.00 0.00 C ATOM 700 CD1 PHE A 51 -5.523 -3.389 -2.547 1.00 0.00 C ATOM 701 CD2 PHE A 51 -5.146 -1.206 -3.427 1.00 0.00 C ATOM 702 CE1 PHE A 51 -4.326 -3.323 -1.864 1.00 0.00 C ATOM 703 CE2 PHE A 51 -3.946 -1.133 -2.743 1.00 0.00 C ATOM 704 CZ PHE A 51 -3.537 -2.194 -1.958 1.00 0.00 C ATOM 0 H PHE A 51 -6.086 -1.784 -6.367 1.00 0.00 H new ATOM 0 HA PHE A 51 -6.991 -4.291 -5.095 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -7.577 -1.402 -4.328 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -8.010 -2.833 -3.414 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.136 -4.274 -2.466 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.462 -0.375 -4.040 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -4.006 -4.156 -1.255 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.330 -0.249 -2.822 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.602 -2.140 -1.419 1.00 0.00 H new ATOM 714 N ALA A 52 -8.465 -2.799 -7.365 1.00 0.00 N ATOM 715 CA ALA A 52 -9.667 -2.702 -8.172 1.00 0.00 C ATOM 716 C ALA A 52 -10.710 -1.820 -7.495 1.00 0.00 C ATOM 717 O ALA A 52 -11.903 -2.121 -7.509 1.00 0.00 O ATOM 718 CB ALA A 52 -10.198 -4.092 -8.423 1.00 0.00 C ATOM 0 H ALA A 52 -7.605 -2.555 -7.857 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.429 -2.233 -9.127 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.102 -4.032 -9.029 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -9.446 -4.679 -8.950 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.430 -4.570 -7.471 1.00 0.00 H new ATOM 724 N MET A 53 -10.238 -0.727 -6.908 1.00 0.00 N ATOM 725 CA MET A 53 -11.102 0.215 -6.224 1.00 0.00 C ATOM 726 C MET A 53 -10.540 1.625 -6.339 1.00 0.00 C ATOM 727 O MET A 53 -9.359 1.804 -6.621 1.00 0.00 O ATOM 728 CB MET A 53 -11.244 -0.161 -4.748 1.00 0.00 C ATOM 729 CG MET A 53 -12.472 -1.003 -4.443 1.00 0.00 C ATOM 730 SD MET A 53 -12.085 -2.754 -4.254 1.00 0.00 S ATOM 731 CE MET A 53 -10.786 -2.689 -3.022 1.00 0.00 C ATOM 0 H MET A 53 -9.250 -0.473 -6.895 1.00 0.00 H new ATOM 0 HA MET A 53 -12.085 0.180 -6.694 1.00 0.00 H new ATOM 0 HB2 MET A 53 -10.354 -0.707 -4.435 1.00 0.00 H new ATOM 0 HB3 MET A 53 -11.284 0.751 -4.153 1.00 0.00 H new ATOM 0 HG2 MET A 53 -12.940 -0.638 -3.529 1.00 0.00 H new ATOM 0 HG3 MET A 53 -13.200 -0.880 -5.245 1.00 0.00 H new ATOM 0 HE1 MET A 53 -10.480 -3.702 -2.762 1.00 0.00 H new ATOM 0 HE2 MET A 53 -9.931 -2.144 -3.423 1.00 0.00 H new ATOM 0 HE3 MET A 53 -11.155 -2.181 -2.131 1.00 0.00 H new ATOM 741 N SER A 54 -11.377 2.624 -6.105 1.00 0.00 N ATOM 742 CA SER A 54 -10.930 4.000 -6.174 1.00 0.00 C ATOM 743 C SER A 54 -10.082 4.322 -4.956 1.00 0.00 C ATOM 744 O SER A 54 -10.459 4.002 -3.834 1.00 0.00 O ATOM 745 CB SER A 54 -12.129 4.947 -6.255 1.00 0.00 C ATOM 746 OG SER A 54 -13.027 4.727 -5.181 1.00 0.00 O ATOM 0 H SER A 54 -12.362 2.506 -5.868 1.00 0.00 H new ATOM 0 HA SER A 54 -10.328 4.134 -7.073 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.782 5.980 -6.237 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.648 4.801 -7.202 1.00 0.00 H new ATOM 0 HG SER A 54 -13.783 5.346 -5.255 1.00 0.00 H new ATOM 752 N PRO A 55 -8.922 4.962 -5.151 1.00 0.00 N ATOM 753 CA PRO A 55 -8.035 5.331 -4.054 1.00 0.00 C ATOM 754 C PRO A 55 -8.831 5.813 -2.847 1.00 0.00 C ATOM 755 O PRO A 55 -8.504 5.537 -1.688 1.00 0.00 O ATOM 756 CB PRO A 55 -7.186 6.470 -4.653 1.00 0.00 C ATOM 757 CG PRO A 55 -7.695 6.665 -6.053 1.00 0.00 C ATOM 758 CD PRO A 55 -8.377 5.393 -6.434 1.00 0.00 C ATOM 0 HA PRO A 55 -7.433 4.498 -3.692 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.289 7.384 -4.068 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -6.127 6.210 -4.654 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.387 7.506 -6.101 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -6.876 6.886 -6.737 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.157 5.552 -7.179 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.682 4.664 -6.851 1.00 0.00 H new ATOM 766 N GLU A 56 -9.898 6.520 -3.158 1.00 0.00 N ATOM 767 CA GLU A 56 -10.802 7.055 -2.177 1.00 0.00 C ATOM 768 C GLU A 56 -11.584 5.950 -1.495 1.00 0.00 C ATOM 769 O GLU A 56 -11.759 5.962 -0.278 1.00 0.00 O ATOM 770 CB GLU A 56 -11.774 8.006 -2.853 1.00 0.00 C ATOM 771 CG GLU A 56 -12.366 7.472 -4.147 1.00 0.00 C ATOM 772 CD GLU A 56 -12.057 8.353 -5.343 1.00 0.00 C ATOM 773 OE1 GLU A 56 -10.922 8.870 -5.421 1.00 0.00 O ATOM 774 OE2 GLU A 56 -12.948 8.524 -6.199 1.00 0.00 O ATOM 0 H GLU A 56 -10.161 6.739 -4.119 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.217 7.583 -1.424 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.585 8.232 -2.161 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.261 8.945 -3.061 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.980 6.469 -4.331 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.447 7.383 -4.037 1.00 0.00 H new ATOM 781 N GLU A 57 -12.055 4.992 -2.290 1.00 0.00 N ATOM 782 CA GLU A 57 -12.810 3.875 -1.772 1.00 0.00 C ATOM 783 C GLU A 57 -12.135 3.360 -0.521 1.00 0.00 C ATOM 784 O GLU A 57 -12.771 3.066 0.489 1.00 0.00 O ATOM 785 CB GLU A 57 -12.915 2.778 -2.829 1.00 0.00 C ATOM 786 CG GLU A 57 -14.241 2.771 -3.572 1.00 0.00 C ATOM 787 CD GLU A 57 -15.344 2.087 -2.787 1.00 0.00 C ATOM 788 OE1 GLU A 57 -15.112 0.963 -2.293 1.00 0.00 O ATOM 789 OE2 GLU A 57 -16.438 2.676 -2.667 1.00 0.00 O ATOM 0 H GLU A 57 -11.921 4.976 -3.301 1.00 0.00 H new ATOM 0 HA GLU A 57 -13.821 4.196 -1.521 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.106 2.901 -3.549 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.772 1.809 -2.350 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -14.537 3.797 -3.789 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -14.114 2.266 -4.530 1.00 0.00 H new ATOM 796 N PHE A 58 -10.827 3.311 -0.609 1.00 0.00 N ATOM 797 CA PHE A 58 -9.987 2.890 0.494 1.00 0.00 C ATOM 798 C PHE A 58 -10.086 3.895 1.627 1.00 0.00 C ATOM 799 O PHE A 58 -10.277 3.526 2.785 1.00 0.00 O ATOM 800 CB PHE A 58 -8.531 2.766 0.049 1.00 0.00 C ATOM 801 CG PHE A 58 -7.890 1.479 0.475 1.00 0.00 C ATOM 802 CD1 PHE A 58 -8.512 0.271 0.227 1.00 0.00 C ATOM 803 CD2 PHE A 58 -6.667 1.477 1.123 1.00 0.00 C ATOM 804 CE1 PHE A 58 -7.931 -0.915 0.616 1.00 0.00 C ATOM 805 CE2 PHE A 58 -6.079 0.295 1.513 1.00 0.00 C ATOM 806 CZ PHE A 58 -6.713 -0.901 1.259 1.00 0.00 C ATOM 0 H PHE A 58 -10.310 3.563 -1.451 1.00 0.00 H new ATOM 0 HA PHE A 58 -10.332 1.914 0.837 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -8.482 2.847 -1.037 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -7.961 3.601 0.457 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -9.466 0.257 -0.279 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -6.168 2.413 1.325 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -8.428 -1.853 0.418 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.124 0.305 2.017 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.254 -1.830 1.565 1.00 0.00 H new ATOM 816 N GLY A 59 -9.966 5.176 1.280 1.00 0.00 N ATOM 817 CA GLY A 59 -10.058 6.215 2.285 1.00 0.00 C ATOM 818 C GLY A 59 -11.368 6.159 3.052 1.00 0.00 C ATOM 819 O GLY A 59 -11.483 6.729 4.136 1.00 0.00 O ATOM 0 H GLY A 59 -9.808 5.507 0.328 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.226 6.117 2.983 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.960 7.190 1.807 1.00 0.00 H new ATOM 823 N LYS A 60 -12.362 5.478 2.482 1.00 0.00 N ATOM 824 CA LYS A 60 -13.662 5.359 3.105 1.00 0.00 C ATOM 825 C LYS A 60 -13.846 4.009 3.791 1.00 0.00 C ATOM 826 O LYS A 60 -14.574 3.896 4.777 1.00 0.00 O ATOM 827 CB LYS A 60 -14.765 5.594 2.066 1.00 0.00 C ATOM 828 CG LYS A 60 -16.150 5.145 2.511 1.00 0.00 C ATOM 829 CD LYS A 60 -16.444 3.713 2.086 1.00 0.00 C ATOM 830 CE LYS A 60 -16.278 3.526 0.586 1.00 0.00 C ATOM 831 NZ LYS A 60 -17.002 2.323 0.092 1.00 0.00 N ATOM 0 H LYS A 60 -12.282 5.001 1.584 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.731 6.123 3.880 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -14.800 6.656 1.825 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.502 5.067 1.149 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -16.227 5.225 3.595 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -16.902 5.811 2.088 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.776 3.032 2.614 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -17.461 3.449 2.375 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -16.648 4.410 0.067 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -15.218 3.436 0.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -17.036 2.341 -0.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -16.506 1.465 0.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -17.971 2.321 0.470 1.00 0.00 H new ATOM 845 N LEU A 61 -13.188 2.993 3.261 1.00 0.00 N ATOM 846 CA LEU A 61 -13.278 1.644 3.812 1.00 0.00 C ATOM 847 C LEU A 61 -12.926 1.626 5.297 1.00 0.00 C ATOM 848 O LEU A 61 -12.701 2.672 5.907 1.00 0.00 O ATOM 849 CB LEU A 61 -12.340 0.698 3.062 1.00 0.00 C ATOM 850 CG LEU A 61 -12.802 0.285 1.664 1.00 0.00 C ATOM 851 CD1 LEU A 61 -11.630 -0.253 0.861 1.00 0.00 C ATOM 852 CD2 LEU A 61 -13.908 -0.754 1.753 1.00 0.00 C ATOM 0 H LEU A 61 -12.581 3.073 2.445 1.00 0.00 H new ATOM 0 HA LEU A 61 -14.309 1.310 3.693 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -11.363 1.175 2.977 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -12.204 -0.202 3.662 1.00 0.00 H new ATOM 0 HG LEU A 61 -13.198 1.164 1.155 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -11.972 -0.544 -0.132 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.866 0.519 0.770 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -11.209 -1.121 1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -14.224 -1.036 0.749 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -13.538 -1.635 2.278 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -14.756 -0.337 2.297 1.00 0.00 H new ATOM 864 N ALA A 62 -12.864 0.425 5.865 1.00 0.00 N ATOM 865 CA ALA A 62 -12.522 0.258 7.270 1.00 0.00 C ATOM 866 C ALA A 62 -11.051 -0.093 7.410 1.00 0.00 C ATOM 867 O ALA A 62 -10.294 -0.005 6.446 1.00 0.00 O ATOM 868 CB ALA A 62 -13.383 -0.828 7.900 1.00 0.00 C ATOM 0 H ALA A 62 -13.047 -0.448 5.370 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.712 1.197 7.790 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -13.115 -0.941 8.951 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -14.434 -0.550 7.821 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -13.217 -1.771 7.380 1.00 0.00 H new ATOM 874 N LEU A 63 -10.651 -0.504 8.604 1.00 0.00 N ATOM 875 CA LEU A 63 -9.267 -0.887 8.845 1.00 0.00 C ATOM 876 C LEU A 63 -9.074 -2.372 8.575 1.00 0.00 C ATOM 877 O LEU A 63 -7.972 -2.833 8.276 1.00 0.00 O ATOM 878 CB LEU A 63 -8.855 -0.551 10.281 1.00 0.00 C ATOM 879 CG LEU A 63 -7.591 0.300 10.408 1.00 0.00 C ATOM 880 CD1 LEU A 63 -6.398 -0.426 9.807 1.00 0.00 C ATOM 881 CD2 LEU A 63 -7.790 1.651 9.738 1.00 0.00 C ATOM 0 H LEU A 63 -11.261 -0.581 9.418 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.632 -0.322 8.163 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.678 -0.027 10.766 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.704 -1.482 10.827 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.392 0.468 11.466 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.507 0.194 9.906 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.244 -1.369 10.332 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.587 -0.624 8.752 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.881 2.244 9.838 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.013 1.504 8.681 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.619 2.175 10.214 1.00 0.00 H new ATOM 893 N TRP A 64 -10.165 -3.107 8.687 1.00 0.00 N ATOM 894 CA TRP A 64 -10.163 -4.532 8.471 1.00 0.00 C ATOM 895 C TRP A 64 -10.251 -4.863 6.988 1.00 0.00 C ATOM 896 O TRP A 64 -9.382 -5.548 6.446 1.00 0.00 O ATOM 897 CB TRP A 64 -11.319 -5.178 9.235 1.00 0.00 C ATOM 898 CG TRP A 64 -12.647 -4.526 8.976 1.00 0.00 C ATOM 899 CD1 TRP A 64 -13.154 -3.410 9.577 1.00 0.00 C ATOM 900 CD2 TRP A 64 -13.636 -4.957 8.041 1.00 0.00 C ATOM 901 NE1 TRP A 64 -14.399 -3.128 9.064 1.00 0.00 N ATOM 902 CE2 TRP A 64 -14.716 -4.064 8.128 1.00 0.00 C ATOM 903 CE3 TRP A 64 -13.711 -6.011 7.141 1.00 0.00 C ATOM 904 CZ2 TRP A 64 -15.858 -4.195 7.350 1.00 0.00 C ATOM 905 CZ3 TRP A 64 -14.846 -6.145 6.362 1.00 0.00 C ATOM 906 CH2 TRP A 64 -15.907 -5.239 6.476 1.00 0.00 C ATOM 0 H TRP A 64 -11.079 -2.725 8.932 1.00 0.00 H new ATOM 0 HA TRP A 64 -9.222 -4.934 8.846 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -11.381 -6.231 8.962 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -11.106 -5.138 10.303 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -12.653 -2.834 10.341 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -14.990 -2.344 9.341 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -12.897 -6.715 7.051 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -16.677 -3.496 7.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -14.915 -6.960 5.656 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -16.783 -5.370 5.858 1.00 0.00 H new ATOM 917 N LYS A 65 -11.293 -4.368 6.325 1.00 0.00 N ATOM 918 CA LYS A 65 -11.461 -4.616 4.905 1.00 0.00 C ATOM 919 C LYS A 65 -10.241 -4.109 4.153 1.00 0.00 C ATOM 920 O LYS A 65 -9.749 -4.759 3.232 1.00 0.00 O ATOM 921 CB LYS A 65 -12.746 -3.967 4.369 1.00 0.00 C ATOM 922 CG LYS A 65 -13.048 -2.592 4.932 1.00 0.00 C ATOM 923 CD LYS A 65 -14.511 -2.468 5.338 1.00 0.00 C ATOM 924 CE LYS A 65 -15.209 -1.325 4.615 1.00 0.00 C ATOM 925 NZ LYS A 65 -16.164 -1.820 3.586 1.00 0.00 N ATOM 0 H LYS A 65 -12.025 -3.798 6.748 1.00 0.00 H new ATOM 0 HA LYS A 65 -11.556 -5.691 4.749 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -12.673 -3.892 3.284 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -13.587 -4.626 4.587 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -12.411 -2.403 5.796 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -12.809 -1.832 4.188 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -15.028 -3.403 5.122 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -14.576 -2.310 6.414 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -15.743 -0.709 5.339 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -14.464 -0.686 4.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -16.593 -1.011 3.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -15.657 -2.414 2.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -16.910 -2.381 4.046 1.00 0.00 H new ATOM 939 N ARG A 66 -9.734 -2.963 4.586 1.00 0.00 N ATOM 940 CA ARG A 66 -8.550 -2.387 3.995 1.00 0.00 C ATOM 941 C ARG A 66 -7.367 -3.316 4.225 1.00 0.00 C ATOM 942 O ARG A 66 -6.535 -3.514 3.339 1.00 0.00 O ATOM 943 CB ARG A 66 -8.274 -1.029 4.627 1.00 0.00 C ATOM 944 CG ARG A 66 -8.811 0.144 3.820 1.00 0.00 C ATOM 945 CD ARG A 66 -8.026 1.418 4.088 1.00 0.00 C ATOM 946 NE ARG A 66 -6.595 1.161 4.203 1.00 0.00 N ATOM 947 CZ ARG A 66 -5.717 2.049 4.662 1.00 0.00 C ATOM 948 NH1 ARG A 66 -6.118 3.258 5.037 1.00 0.00 N ATOM 949 NH2 ARG A 66 -4.434 1.729 4.747 1.00 0.00 N ATOM 0 H ARG A 66 -10.132 -2.416 5.350 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.702 -2.257 2.923 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.716 -1.006 5.623 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.198 -0.909 4.753 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.766 -0.094 2.757 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.861 0.305 4.066 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.203 2.130 3.282 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.387 1.880 5.007 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.247 0.247 3.915 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.104 3.511 4.974 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.440 3.934 5.388 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.120 0.802 4.461 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.761 2.410 5.099 1.00 0.00 H new ATOM 963 N ASN A 67 -7.307 -3.894 5.426 1.00 0.00 N ATOM 964 CA ASN A 67 -6.247 -4.805 5.777 1.00 0.00 C ATOM 965 C ASN A 67 -6.294 -6.044 4.889 1.00 0.00 C ATOM 966 O ASN A 67 -5.264 -6.511 4.404 1.00 0.00 O ATOM 967 CB ASN A 67 -6.383 -5.193 7.247 1.00 0.00 C ATOM 968 CG ASN A 67 -5.466 -4.387 8.147 1.00 0.00 C ATOM 969 OD1 ASN A 67 -4.421 -3.903 7.712 1.00 0.00 O ATOM 970 ND2 ASN A 67 -5.858 -4.233 9.406 1.00 0.00 N ATOM 0 H ASN A 67 -7.990 -3.738 6.167 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.285 -4.316 5.623 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.416 -5.049 7.563 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.159 -6.254 7.362 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.285 -3.695 10.056 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.732 -4.652 9.723 1.00 0.00 H new ATOM 977 N GLU A 68 -7.500 -6.570 4.674 1.00 0.00 N ATOM 978 CA GLU A 68 -7.677 -7.747 3.843 1.00 0.00 C ATOM 979 C GLU A 68 -7.330 -7.454 2.389 1.00 0.00 C ATOM 980 O GLU A 68 -7.025 -8.360 1.614 1.00 0.00 O ATOM 981 CB GLU A 68 -9.112 -8.264 3.947 1.00 0.00 C ATOM 982 CG GLU A 68 -9.600 -8.423 5.379 1.00 0.00 C ATOM 983 CD GLU A 68 -9.512 -9.855 5.868 1.00 0.00 C ATOM 984 OE1 GLU A 68 -8.570 -10.566 5.459 1.00 0.00 O ATOM 985 OE2 GLU A 68 -10.385 -10.266 6.661 1.00 0.00 O ATOM 0 H GLU A 68 -8.364 -6.196 5.066 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.996 -8.516 4.206 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.775 -7.578 3.420 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -9.180 -9.226 3.440 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.009 -7.782 6.034 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.633 -8.082 5.447 1.00 0.00 H new ATOM 992 N LEU A 69 -7.383 -6.183 2.034 1.00 0.00 N ATOM 993 CA LEU A 69 -7.080 -5.746 0.676 1.00 0.00 C ATOM 994 C LEU A 69 -5.603 -5.424 0.519 1.00 0.00 C ATOM 995 O LEU A 69 -4.931 -5.954 -0.362 1.00 0.00 O ATOM 996 CB LEU A 69 -7.920 -4.521 0.321 1.00 0.00 C ATOM 997 CG LEU A 69 -9.408 -4.804 0.148 1.00 0.00 C ATOM 998 CD1 LEU A 69 -10.167 -3.524 -0.170 1.00 0.00 C ATOM 999 CD2 LEU A 69 -9.615 -5.842 -0.943 1.00 0.00 C ATOM 0 H LEU A 69 -7.635 -5.427 2.671 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.324 -6.562 -0.004 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.794 -3.771 1.102 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.536 -4.088 -0.602 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.801 -5.200 1.084 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.227 -3.749 -0.289 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.037 -2.812 0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.782 -3.092 -1.094 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.681 -6.039 -1.061 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.209 -5.468 -1.883 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.104 -6.765 -0.669 1.00 0.00 H new ATOM 1011 N LYS A 70 -5.104 -4.550 1.381 1.00 0.00 N ATOM 1012 CA LYS A 70 -3.710 -4.154 1.343 1.00 0.00 C ATOM 1013 C LYS A 70 -2.803 -5.378 1.315 1.00 0.00 C ATOM 1014 O LYS A 70 -1.726 -5.355 0.719 1.00 0.00 O ATOM 1015 CB LYS A 70 -3.407 -3.245 2.539 1.00 0.00 C ATOM 1016 CG LYS A 70 -2.655 -3.917 3.678 1.00 0.00 C ATOM 1017 CD LYS A 70 -2.843 -3.165 4.987 1.00 0.00 C ATOM 1018 CE LYS A 70 -1.997 -1.902 5.032 1.00 0.00 C ATOM 1019 NZ LYS A 70 -2.735 -0.762 5.643 1.00 0.00 N ATOM 0 H LYS A 70 -5.649 -4.102 2.117 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.514 -3.593 0.429 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.824 -2.393 2.191 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.347 -2.852 2.926 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.006 -4.943 3.792 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.594 -3.968 3.435 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.894 -2.904 5.110 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.575 -3.813 5.822 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.088 -2.094 5.602 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.689 -1.635 4.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.459 0.123 5.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.758 -0.910 5.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.504 -0.702 6.655 1.00 0.00 H new ATOM 1033 N LYS A 71 -3.258 -6.452 1.948 1.00 0.00 N ATOM 1034 CA LYS A 71 -2.498 -7.687 1.974 1.00 0.00 C ATOM 1035 C LYS A 71 -2.490 -8.335 0.602 1.00 0.00 C ATOM 1036 O LYS A 71 -1.533 -9.009 0.224 1.00 0.00 O ATOM 1037 CB LYS A 71 -3.064 -8.652 3.020 1.00 0.00 C ATOM 1038 CG LYS A 71 -2.121 -8.916 4.182 1.00 0.00 C ATOM 1039 CD LYS A 71 -2.794 -9.732 5.276 1.00 0.00 C ATOM 1040 CE LYS A 71 -4.080 -9.076 5.756 1.00 0.00 C ATOM 1041 NZ LYS A 71 -4.257 -9.211 7.229 1.00 0.00 N ATOM 0 H LYS A 71 -4.147 -6.489 2.447 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.471 -7.449 2.251 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.999 -8.246 3.407 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.304 -9.599 2.536 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.239 -9.446 3.822 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.777 -7.968 4.594 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.013 -10.732 4.902 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.109 -9.849 6.116 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.071 -8.020 5.487 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.930 -9.528 5.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.259 -9.392 7.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.680 -10.003 7.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.956 -8.332 7.697 1.00 0.00 H new ATOM 1055 N LYS A 72 -3.554 -8.103 -0.145 1.00 0.00 N ATOM 1056 CA LYS A 72 -3.664 -8.636 -1.484 1.00 0.00 C ATOM 1057 C LYS A 72 -2.617 -7.992 -2.372 1.00 0.00 C ATOM 1058 O LYS A 72 -2.123 -8.595 -3.325 1.00 0.00 O ATOM 1059 CB LYS A 72 -5.067 -8.413 -2.050 1.00 0.00 C ATOM 1060 CG LYS A 72 -5.887 -9.690 -2.152 1.00 0.00 C ATOM 1061 CD LYS A 72 -7.217 -9.570 -1.421 1.00 0.00 C ATOM 1062 CE LYS A 72 -7.307 -10.551 -0.263 1.00 0.00 C ATOM 1063 NZ LYS A 72 -8.673 -10.590 0.329 1.00 0.00 N ATOM 0 H LYS A 72 -4.354 -7.547 0.157 1.00 0.00 H new ATOM 0 HA LYS A 72 -3.491 -9.712 -1.450 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.596 -7.700 -1.418 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.984 -7.963 -3.039 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.069 -9.922 -3.201 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.318 -10.521 -1.736 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.338 -8.553 -1.048 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.034 -9.753 -2.118 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.033 -11.548 -0.610 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.586 -10.272 0.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.838 -11.522 0.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.757 -9.851 1.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.379 -10.424 -0.416 1.00 0.00 H new ATOM 1077 N ALA A 73 -2.276 -6.759 -2.030 1.00 0.00 N ATOM 1078 CA ALA A 73 -1.282 -6.007 -2.756 1.00 0.00 C ATOM 1079 C ALA A 73 0.083 -6.093 -2.073 1.00 0.00 C ATOM 1080 O ALA A 73 1.088 -5.649 -2.626 1.00 0.00 O ATOM 1081 CB ALA A 73 -1.727 -4.561 -2.891 1.00 0.00 C ATOM 0 H ALA A 73 -2.684 -6.258 -1.241 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.179 -6.440 -3.751 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.972 -3.998 -3.440 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.674 -4.520 -3.430 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.855 -4.126 -1.900 1.00 0.00 H new ATOM 1087 N SER A 74 0.116 -6.663 -0.863 1.00 0.00 N ATOM 1088 CA SER A 74 1.362 -6.800 -0.111 1.00 0.00 C ATOM 1089 C SER A 74 1.778 -5.465 0.496 1.00 0.00 C ATOM 1090 O SER A 74 2.944 -5.263 0.835 1.00 0.00 O ATOM 1091 CB SER A 74 2.480 -7.339 -1.008 1.00 0.00 C ATOM 1092 OG SER A 74 3.291 -8.268 -0.309 1.00 0.00 O ATOM 0 H SER A 74 -0.706 -7.035 -0.387 1.00 0.00 H new ATOM 0 HA SER A 74 1.189 -7.511 0.697 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.047 -7.818 -1.886 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.094 -6.512 -1.366 1.00 0.00 H new ATOM 0 HG SER A 74 3.996 -8.599 -0.904 1.00 0.00 H new ATOM 1098 N LEU A 75 0.815 -4.561 0.639 1.00 0.00 N ATOM 1099 CA LEU A 75 1.078 -3.250 1.214 1.00 0.00 C ATOM 1100 C LEU A 75 0.763 -3.243 2.709 1.00 0.00 C ATOM 1101 O LEU A 75 0.614 -2.184 3.318 1.00 0.00 O ATOM 1102 CB LEU A 75 0.248 -2.185 0.491 1.00 0.00 C ATOM 1103 CG LEU A 75 0.370 -2.187 -1.034 1.00 0.00 C ATOM 1104 CD1 LEU A 75 -0.238 -0.926 -1.624 1.00 0.00 C ATOM 1105 CD2 LEU A 75 1.826 -2.325 -1.453 1.00 0.00 C ATOM 0 H LEU A 75 -0.155 -4.714 0.364 1.00 0.00 H new ATOM 0 HA LEU A 75 2.136 -3.021 1.087 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.800 -2.323 0.756 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.544 -1.204 0.862 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.182 -3.044 -1.419 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.140 -0.948 -2.709 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.293 -0.871 -1.356 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.282 -0.053 -1.231 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.893 -2.325 -2.541 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.400 -1.489 -1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.229 -3.260 -1.065 1.00 0.00 H new ATOM 1117 N PHE A 76 0.658 -4.436 3.292 1.00 0.00 N ATOM 1118 CA PHE A 76 0.359 -4.578 4.706 1.00 0.00 C ATOM 1119 C PHE A 76 1.623 -4.452 5.549 1.00 0.00 C ATOM 1120 O PHE A 76 1.607 -3.674 6.526 1.00 0.00 O ATOM 1121 CB PHE A 76 -0.319 -5.926 4.969 1.00 0.00 C ATOM 1122 CG PHE A 76 -1.105 -5.971 6.248 1.00 0.00 C ATOM 1123 CD1 PHE A 76 -0.488 -5.748 7.469 1.00 0.00 C ATOM 1124 CD2 PHE A 76 -2.464 -6.242 6.229 1.00 0.00 C ATOM 1125 CE1 PHE A 76 -1.212 -5.793 8.646 1.00 0.00 C ATOM 1126 CE2 PHE A 76 -3.192 -6.287 7.402 1.00 0.00 C ATOM 1127 CZ PHE A 76 -2.566 -6.063 8.611 1.00 0.00 C ATOM 1128 OXT PHE A 76 2.619 -5.135 5.228 1.00 0.00 O ATOM 0 H PHE A 76 0.777 -5.321 2.798 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.321 -3.775 4.992 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.984 -6.156 4.137 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.442 -6.706 4.994 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.571 -5.537 7.501 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.960 -6.420 5.286 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.720 -5.617 9.591 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.251 -6.497 7.373 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.134 -6.099 9.529 1.00 0.00 H new TER 1138 PHE A 76