USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 677 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 78 HIS : no HD1:sc= -1.57 K(o=-1.6,f=-5.7!) USER MOD Set 1.2: A 80 HIS :FLIP no HE2:sc=-0.00869 F(o=-2.5,f=-1.6) USER MOD Set 2.1: A 74 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 75 SER OG : rot 180:sc= -0.126 USER MOD Single : A 1 MET CE :methyl 155:sc= -0.148 (180deg=-1.14) USER MOD Single : A 1 MET N :NH3+ -159:sc= -0.0402 (180deg=-0.417) USER MOD Single : A 2 GLN :FLIP amide:sc= -0.0642 F(o=-0.68,f=-0.064) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 170:sc= -0.47 USER MOD Single : A 7 THR OG1 : rot -103:sc= 1.13 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 92:sc= 0.828 USER MOD Single : A 19 SER OG : rot 180:sc=-0.00596 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.229 K(o=-0.23,f=-1) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 79:sc= 1.08 USER MOD Single : A 31 MET CE :methyl 142:sc= -0.587 (180deg=-3.36!) USER MOD Single : A 35 SER OG : rot -130:sc= 0.381! USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN :FLIP amide:sc=-0.00329 F(o=-2.6!,f=-0.0033) USER MOD Single : A 50 HIS : no HE2:sc= -2.51! C(o=-2.5!,f=-2.8!) USER MOD Single : A 53 THR OG1 : rot -68:sc= 1.6 USER MOD Single : A 57 SER OG : rot 123:sc= 0.838 USER MOD Single : A 62 LYS NZ :NH3+ -160:sc= -6.03! (180deg=-6.62!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS : no HD1:sc= -0.807! C(o=-0.81!,f=-10!) USER MOD Single : A 82 HIS : no HD1:sc= -0.704 X(o=-0.7,f=-0.63) USER MOD Single : A 83 HIS : no HD1:sc= -0.0132 X(o=-0.013,f=-0.013) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.788 -18.076 -9.246 1.00 0.00 N ATOM 2 CA MET A 1 -17.793 -19.179 -9.125 1.00 0.00 C ATOM 3 C MET A 1 -16.382 -18.605 -9.233 1.00 0.00 C ATOM 4 O MET A 1 -15.527 -18.872 -8.389 1.00 0.00 O ATOM 5 CB MET A 1 -18.030 -20.198 -10.242 1.00 0.00 C ATOM 6 CG MET A 1 -19.346 -20.937 -9.991 1.00 0.00 C ATOM 7 SD MET A 1 -19.689 -22.051 -11.377 1.00 0.00 S ATOM 8 CE MET A 1 -18.298 -23.181 -11.123 1.00 0.00 C ATOM 0 H1 MET A 1 -19.693 -18.377 -8.831 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.438 -17.236 -8.742 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.928 -17.843 -10.250 1.00 0.00 H new ATOM 0 HA MET A 1 -17.904 -19.672 -8.159 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.063 -19.693 -11.208 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.204 -20.908 -10.282 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.285 -21.504 -9.062 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.160 -20.222 -9.876 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.538 -24.155 -11.549 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.410 -22.780 -11.611 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.107 -23.289 -10.055 1.00 0.00 H new ATOM 20 N GLN A 2 -16.145 -17.823 -10.283 1.00 0.00 N ATOM 21 CA GLN A 2 -14.832 -17.221 -10.498 1.00 0.00 C ATOM 22 C GLN A 2 -14.588 -16.098 -9.497 1.00 0.00 C ATOM 23 O GLN A 2 -13.762 -16.224 -8.597 1.00 0.00 O ATOM 24 CB GLN A 2 -14.747 -16.669 -11.940 1.00 0.00 C ATOM 25 CG GLN A 2 -14.048 -17.679 -12.853 1.00 0.00 C ATOM 26 CD GLN A 2 -14.847 -18.977 -12.900 1.00 0.00 C ATOM 27 OE1 GLN A 2 -16.144 -18.927 -13.017 1.00 0.00 O flip ATOM 28 NE2 GLN A 2 -14.273 -20.065 -12.825 1.00 0.00 N flip ATOM 0 H GLN A 2 -16.839 -17.592 -10.994 1.00 0.00 H new ATOM 0 HA GLN A 2 -14.067 -17.984 -10.354 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -15.748 -16.460 -12.317 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -14.201 -15.726 -11.944 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -13.949 -17.267 -13.857 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -13.040 -17.875 -12.488 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -13.258 -20.101 -12.734 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -14.813 -20.930 -12.854 1.00 0.00 H new ATOM 37 N TYR A 3 -15.308 -15.002 -9.669 1.00 0.00 N ATOM 38 CA TYR A 3 -15.154 -13.860 -8.778 1.00 0.00 C ATOM 39 C TYR A 3 -15.780 -14.165 -7.427 1.00 0.00 C ATOM 40 O TYR A 3 -16.965 -13.903 -7.212 1.00 0.00 O ATOM 41 CB TYR A 3 -15.838 -12.635 -9.380 1.00 0.00 C ATOM 42 CG TYR A 3 -15.421 -12.493 -10.817 1.00 0.00 C ATOM 43 CD1 TYR A 3 -16.104 -13.200 -11.812 1.00 0.00 C ATOM 44 CD2 TYR A 3 -14.350 -11.659 -11.158 1.00 0.00 C ATOM 45 CE1 TYR A 3 -15.719 -13.073 -13.150 1.00 0.00 C ATOM 46 CE2 TYR A 3 -13.966 -11.532 -12.493 1.00 0.00 C ATOM 47 CZ TYR A 3 -14.648 -12.238 -13.491 1.00 0.00 C ATOM 48 OH TYR A 3 -14.266 -12.113 -14.811 1.00 0.00 O ATOM 0 H TYR A 3 -15.999 -14.877 -10.409 1.00 0.00 H new ATOM 0 HA TYR A 3 -14.090 -13.659 -8.649 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -16.921 -12.738 -9.312 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -15.567 -11.740 -8.820 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -16.929 -13.844 -11.547 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -13.822 -11.115 -10.389 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -16.247 -13.618 -13.919 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -13.141 -10.888 -12.757 1.00 0.00 H new ATOM 0 HH TYR A 3 -13.508 -11.495 -14.875 1.00 0.00 H new ATOM 58 N THR A 4 -14.983 -14.722 -6.512 1.00 0.00 N ATOM 59 CA THR A 4 -15.485 -15.060 -5.179 1.00 0.00 C ATOM 60 C THR A 4 -15.012 -14.024 -4.154 1.00 0.00 C ATOM 61 O THR A 4 -13.955 -13.415 -4.332 1.00 0.00 O ATOM 62 CB THR A 4 -14.992 -16.451 -4.754 1.00 0.00 C ATOM 63 OG1 THR A 4 -13.779 -16.322 -4.028 1.00 0.00 O ATOM 64 CG2 THR A 4 -14.759 -17.324 -5.988 1.00 0.00 C ATOM 0 H THR A 4 -14.000 -14.946 -6.667 1.00 0.00 H new ATOM 0 HA THR A 4 -16.574 -15.061 -5.218 1.00 0.00 H new ATOM 0 HB THR A 4 -15.748 -16.920 -4.124 1.00 0.00 H new ATOM 0 HG1 THR A 4 -13.549 -17.183 -3.620 1.00 0.00 H new ATOM 0 HG21 THR A 4 -14.410 -18.308 -5.677 1.00 0.00 H new ATOM 0 HG22 THR A 4 -15.692 -17.429 -6.541 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.009 -16.858 -6.627 1.00 0.00 H new ATOM 72 N PRO A 5 -15.750 -13.816 -3.086 1.00 0.00 N ATOM 73 CA PRO A 5 -15.352 -12.837 -2.032 1.00 0.00 C ATOM 74 C PRO A 5 -13.911 -13.025 -1.563 1.00 0.00 C ATOM 75 O PRO A 5 -13.174 -12.052 -1.397 1.00 0.00 O ATOM 76 CB PRO A 5 -16.332 -13.115 -0.878 1.00 0.00 C ATOM 77 CG PRO A 5 -17.530 -13.755 -1.507 1.00 0.00 C ATOM 78 CD PRO A 5 -17.039 -14.470 -2.771 1.00 0.00 C ATOM 0 HA PRO A 5 -15.395 -11.814 -2.406 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -15.883 -13.772 -0.133 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -16.605 -12.192 -0.366 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -17.996 -14.461 -0.820 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -18.283 -13.007 -1.754 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -16.911 -15.539 -2.599 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -17.750 -14.362 -3.590 1.00 0.00 H new ATOM 86 N ASP A 6 -13.517 -14.278 -1.340 1.00 0.00 N ATOM 87 CA ASP A 6 -12.162 -14.580 -0.877 1.00 0.00 C ATOM 88 C ASP A 6 -11.575 -15.753 -1.649 1.00 0.00 C ATOM 89 O ASP A 6 -11.875 -16.913 -1.363 1.00 0.00 O ATOM 90 CB ASP A 6 -12.183 -14.914 0.617 1.00 0.00 C ATOM 91 CG ASP A 6 -12.448 -13.652 1.430 1.00 0.00 C ATOM 92 OD1 ASP A 6 -12.326 -12.574 0.872 1.00 0.00 O ATOM 93 OD2 ASP A 6 -12.770 -13.782 2.600 1.00 0.00 O ATOM 0 H ASP A 6 -14.112 -15.096 -1.471 1.00 0.00 H new ATOM 0 HA ASP A 6 -11.540 -13.701 -1.048 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -12.954 -15.657 0.821 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -11.231 -15.354 0.913 1.00 0.00 H new ATOM 98 N THR A 7 -10.727 -15.441 -2.623 1.00 0.00 N ATOM 99 CA THR A 7 -10.078 -16.472 -3.437 1.00 0.00 C ATOM 100 C THR A 7 -8.607 -16.134 -3.648 1.00 0.00 C ATOM 101 O THR A 7 -8.242 -14.969 -3.804 1.00 0.00 O ATOM 102 CB THR A 7 -10.775 -16.588 -4.796 1.00 0.00 C ATOM 103 OG1 THR A 7 -9.921 -17.257 -5.710 1.00 0.00 O ATOM 104 CG2 THR A 7 -11.112 -15.195 -5.324 1.00 0.00 C ATOM 0 H THR A 7 -10.471 -14.485 -2.871 1.00 0.00 H new ATOM 0 HA THR A 7 -10.153 -17.423 -2.911 1.00 0.00 H new ATOM 0 HB THR A 7 -11.698 -17.157 -4.683 1.00 0.00 H new ATOM 0 HG1 THR A 7 -9.520 -16.604 -6.321 1.00 0.00 H new ATOM 0 HG21 THR A 7 -11.608 -15.282 -6.291 1.00 0.00 H new ATOM 0 HG22 THR A 7 -11.774 -14.690 -4.621 1.00 0.00 H new ATOM 0 HG23 THR A 7 -10.195 -14.617 -5.437 1.00 0.00 H new ATOM 112 N ALA A 8 -7.767 -17.167 -3.658 1.00 0.00 N ATOM 113 CA ALA A 8 -6.327 -16.980 -3.861 1.00 0.00 C ATOM 114 C ALA A 8 -5.985 -17.208 -5.325 1.00 0.00 C ATOM 115 O ALA A 8 -5.916 -18.345 -5.789 1.00 0.00 O ATOM 116 CB ALA A 8 -5.545 -17.967 -2.993 1.00 0.00 C ATOM 0 H ALA A 8 -8.054 -18.137 -3.529 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.056 -15.963 -3.578 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.476 -17.822 -3.150 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.784 -17.797 -1.943 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.816 -18.987 -3.267 1.00 0.00 H new ATOM 122 N TRP A 9 -5.783 -16.114 -6.057 1.00 0.00 N ATOM 123 CA TRP A 9 -5.460 -16.194 -7.483 1.00 0.00 C ATOM 124 C TRP A 9 -3.959 -16.056 -7.695 1.00 0.00 C ATOM 125 O TRP A 9 -3.283 -15.331 -6.965 1.00 0.00 O ATOM 126 CB TRP A 9 -6.192 -15.079 -8.247 1.00 0.00 C ATOM 127 CG TRP A 9 -7.635 -15.442 -8.443 1.00 0.00 C ATOM 128 CD1 TRP A 9 -8.322 -16.351 -7.712 1.00 0.00 C ATOM 129 CD2 TRP A 9 -8.573 -14.930 -9.431 1.00 0.00 C ATOM 130 NE1 TRP A 9 -9.617 -16.419 -8.178 1.00 0.00 N ATOM 131 CE2 TRP A 9 -9.821 -15.563 -9.239 1.00 0.00 C ATOM 132 CE3 TRP A 9 -8.463 -13.982 -10.462 1.00 0.00 C ATOM 133 CZ2 TRP A 9 -10.921 -15.270 -10.040 1.00 0.00 C ATOM 134 CZ3 TRP A 9 -9.568 -13.683 -11.274 1.00 0.00 C ATOM 135 CH2 TRP A 9 -10.796 -14.326 -11.063 1.00 0.00 C ATOM 0 H TRP A 9 -5.837 -15.164 -5.689 1.00 0.00 H new ATOM 0 HA TRP A 9 -5.783 -17.165 -7.859 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -6.117 -14.142 -7.696 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -5.716 -14.919 -9.214 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -7.919 -16.930 -6.894 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -10.336 -17.028 -7.786 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -7.522 -13.480 -10.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -11.864 -15.769 -9.872 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -9.472 -12.954 -12.065 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -11.644 -14.092 -11.690 1.00 0.00 H new ATOM 146 N LYS A 10 -3.441 -16.761 -8.700 1.00 0.00 N ATOM 147 CA LYS A 10 -2.011 -16.713 -9.005 1.00 0.00 C ATOM 148 C LYS A 10 -1.766 -15.778 -10.181 1.00 0.00 C ATOM 149 O LYS A 10 -2.455 -15.855 -11.192 1.00 0.00 O ATOM 150 CB LYS A 10 -1.499 -18.120 -9.349 1.00 0.00 C ATOM 151 CG LYS A 10 -0.011 -18.236 -9.001 1.00 0.00 C ATOM 152 CD LYS A 10 0.461 -19.668 -9.234 1.00 0.00 C ATOM 153 CE LYS A 10 1.918 -19.788 -8.799 1.00 0.00 C ATOM 154 NZ LYS A 10 2.383 -21.187 -9.005 1.00 0.00 N ATOM 0 H LYS A 10 -3.985 -17.368 -9.313 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.475 -16.342 -8.131 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.069 -18.868 -8.798 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.650 -18.322 -10.410 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.570 -17.547 -9.613 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.152 -17.954 -7.961 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.159 -20.365 -8.670 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.360 -19.931 -10.287 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.538 -19.099 -9.373 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.020 -19.510 -7.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.376 -21.270 -8.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.798 -21.834 -8.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.300 -21.436 -10.011 1.00 0.00 H new ATOM 168 N ILE A 11 -0.788 -14.896 -10.037 1.00 0.00 N ATOM 169 CA ILE A 11 -0.467 -13.944 -11.092 1.00 0.00 C ATOM 170 C ILE A 11 0.428 -14.599 -12.138 1.00 0.00 C ATOM 171 O ILE A 11 1.492 -15.125 -11.812 1.00 0.00 O ATOM 172 CB ILE A 11 0.256 -12.735 -10.492 1.00 0.00 C ATOM 173 CG1 ILE A 11 -0.524 -12.213 -9.285 1.00 0.00 C ATOM 174 CG2 ILE A 11 0.335 -11.623 -11.535 1.00 0.00 C ATOM 175 CD1 ILE A 11 0.311 -11.162 -8.554 1.00 0.00 C ATOM 0 H ILE A 11 -0.205 -14.819 -9.204 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.393 -13.620 -11.567 1.00 0.00 H new ATOM 0 HB ILE A 11 1.257 -13.037 -10.185 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.470 -11.780 -9.610 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.765 -13.035 -8.611 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.849 -10.761 -11.110 1.00 0.00 H new ATOM 0 HG22 ILE A 11 0.884 -11.980 -12.406 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.672 -11.333 -11.835 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.245 -10.790 -7.693 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.245 -11.610 -8.216 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.529 -10.335 -9.230 1.00 0.00 H new ATOM 187 N THR A 12 -0.004 -14.564 -13.399 1.00 0.00 N ATOM 188 CA THR A 12 0.774 -15.159 -14.490 1.00 0.00 C ATOM 189 C THR A 12 1.392 -14.075 -15.369 1.00 0.00 C ATOM 190 O THR A 12 2.585 -14.109 -15.666 1.00 0.00 O ATOM 191 CB THR A 12 -0.131 -16.048 -15.342 1.00 0.00 C ATOM 192 OG1 THR A 12 -0.651 -17.100 -14.540 1.00 0.00 O ATOM 193 CG2 THR A 12 0.671 -16.636 -16.504 1.00 0.00 C ATOM 0 H THR A 12 -0.882 -14.134 -13.691 1.00 0.00 H new ATOM 0 HA THR A 12 1.576 -15.756 -14.055 1.00 0.00 H new ATOM 0 HB THR A 12 -0.954 -15.453 -15.739 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.233 -17.670 -15.085 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.023 -17.269 -17.110 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.066 -15.828 -17.119 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.496 -17.231 -16.112 1.00 0.00 H new ATOM 201 N GLY A 13 0.566 -13.119 -15.784 1.00 0.00 N ATOM 202 CA GLY A 13 1.035 -12.031 -16.637 1.00 0.00 C ATOM 203 C GLY A 13 -0.133 -11.272 -17.248 1.00 0.00 C ATOM 204 O GLY A 13 -1.294 -11.581 -16.987 1.00 0.00 O ATOM 0 H GLY A 13 -0.425 -13.075 -15.546 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.652 -11.347 -16.054 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.666 -12.432 -17.430 1.00 0.00 H new ATOM 208 N PHE A 14 0.183 -10.272 -18.063 1.00 0.00 N ATOM 209 CA PHE A 14 -0.844 -9.463 -18.718 1.00 0.00 C ATOM 210 C PHE A 14 -1.002 -9.881 -20.179 1.00 0.00 C ATOM 211 O PHE A 14 -0.030 -10.236 -20.843 1.00 0.00 O ATOM 212 CB PHE A 14 -0.463 -7.982 -18.641 1.00 0.00 C ATOM 213 CG PHE A 14 1.028 -7.836 -18.776 1.00 0.00 C ATOM 214 CD1 PHE A 14 1.845 -7.971 -17.649 1.00 0.00 C ATOM 215 CD2 PHE A 14 1.592 -7.560 -20.023 1.00 0.00 C ATOM 216 CE1 PHE A 14 3.232 -7.825 -17.770 1.00 0.00 C ATOM 217 CE2 PHE A 14 2.977 -7.413 -20.147 1.00 0.00 C ATOM 218 CZ PHE A 14 3.798 -7.546 -19.019 1.00 0.00 C ATOM 0 H PHE A 14 1.140 -10.000 -18.287 1.00 0.00 H new ATOM 0 HA PHE A 14 -1.793 -9.620 -18.205 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.966 -7.425 -19.432 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.795 -7.560 -17.693 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.406 -8.188 -16.686 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.958 -7.460 -20.892 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.864 -7.928 -16.901 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.414 -7.197 -21.111 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.868 -7.433 -19.114 1.00 0.00 H new ATOM 228 N SER A 15 -2.237 -9.833 -20.665 1.00 0.00 N ATOM 229 CA SER A 15 -2.526 -10.206 -22.046 1.00 0.00 C ATOM 230 C SER A 15 -2.073 -9.105 -23.002 1.00 0.00 C ATOM 231 O SER A 15 -1.693 -8.020 -22.574 1.00 0.00 O ATOM 232 CB SER A 15 -4.026 -10.443 -22.214 1.00 0.00 C ATOM 233 OG SER A 15 -4.370 -11.695 -21.639 1.00 0.00 O ATOM 0 H SER A 15 -3.052 -9.541 -20.126 1.00 0.00 H new ATOM 0 HA SER A 15 -1.983 -11.122 -22.280 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.588 -9.642 -21.734 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.292 -10.430 -23.271 1.00 0.00 H new ATOM 0 HG SER A 15 -4.631 -11.565 -20.703 1.00 0.00 H new ATOM 239 N ARG A 16 -2.117 -9.396 -24.295 1.00 0.00 N ATOM 240 CA ARG A 16 -1.714 -8.419 -25.299 1.00 0.00 C ATOM 241 C ARG A 16 -2.708 -7.261 -25.358 1.00 0.00 C ATOM 242 O ARG A 16 -2.322 -6.107 -25.537 1.00 0.00 O ATOM 243 CB ARG A 16 -1.622 -9.081 -26.671 1.00 0.00 C ATOM 244 CG ARG A 16 -0.412 -10.014 -26.705 1.00 0.00 C ATOM 245 CD ARG A 16 -0.319 -10.681 -28.077 1.00 0.00 C ATOM 246 NE ARG A 16 0.847 -11.556 -28.132 1.00 0.00 N ATOM 247 CZ ARG A 16 0.783 -12.822 -27.724 1.00 0.00 C ATOM 248 NH1 ARG A 16 -0.339 -13.304 -27.261 1.00 0.00 N ATOM 249 NH2 ARG A 16 1.842 -13.580 -27.786 1.00 0.00 N ATOM 0 H ARG A 16 -2.425 -10.292 -24.672 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.736 -8.029 -25.018 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.533 -9.642 -26.878 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.532 -8.322 -27.448 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.499 -9.452 -26.500 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.502 -10.771 -25.926 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.224 -11.256 -28.272 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.250 -9.921 -28.855 1.00 0.00 H new ATOM 0 HE ARG A 16 1.729 -11.191 -28.490 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.167 -12.711 -27.212 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.387 -14.274 -26.949 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.718 -13.203 -28.147 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.794 -14.550 -27.474 1.00 0.00 H new ATOM 263 N GLU A 17 -3.992 -7.582 -25.219 1.00 0.00 N ATOM 264 CA GLU A 17 -5.036 -6.564 -25.270 1.00 0.00 C ATOM 265 C GLU A 17 -5.004 -5.703 -24.011 1.00 0.00 C ATOM 266 O GLU A 17 -5.678 -4.676 -23.929 1.00 0.00 O ATOM 267 CB GLU A 17 -6.411 -7.236 -25.402 1.00 0.00 C ATOM 268 CG GLU A 17 -7.438 -6.232 -25.939 1.00 0.00 C ATOM 269 CD GLU A 17 -7.143 -5.923 -27.403 1.00 0.00 C ATOM 270 OE1 GLU A 17 -6.273 -6.573 -27.960 1.00 0.00 O ATOM 271 OE2 GLU A 17 -7.788 -5.041 -27.945 1.00 0.00 O ATOM 0 H GLU A 17 -4.332 -8.532 -25.071 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.859 -5.926 -26.136 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.343 -8.093 -26.073 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.734 -7.615 -24.432 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.444 -6.639 -25.840 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.405 -5.315 -25.351 1.00 0.00 H new ATOM 278 N ILE A 18 -4.221 -6.131 -23.024 1.00 0.00 N ATOM 279 CA ILE A 18 -4.116 -5.394 -21.768 1.00 0.00 C ATOM 280 C ILE A 18 -4.045 -3.893 -22.033 1.00 0.00 C ATOM 281 O ILE A 18 -3.501 -3.461 -23.050 1.00 0.00 O ATOM 282 CB ILE A 18 -2.863 -5.834 -21.005 1.00 0.00 C ATOM 283 CG1 ILE A 18 -2.843 -5.180 -19.613 1.00 0.00 C ATOM 284 CG2 ILE A 18 -1.616 -5.411 -21.786 1.00 0.00 C ATOM 285 CD1 ILE A 18 -4.016 -5.689 -18.761 1.00 0.00 C ATOM 0 H ILE A 18 -3.654 -6.978 -23.069 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.002 -5.608 -21.170 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.873 -6.918 -20.892 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.900 -5.403 -19.114 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.902 -4.096 -19.713 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.724 -5.724 -21.244 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.626 -5.881 -22.770 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.609 -4.327 -21.901 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.985 -5.215 -17.780 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.957 -5.443 -19.253 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.939 -6.770 -18.645 1.00 0.00 H new ATOM 297 N SER A 19 -4.596 -3.104 -21.115 1.00 0.00 N ATOM 298 CA SER A 19 -4.585 -1.658 -21.276 1.00 0.00 C ATOM 299 C SER A 19 -3.205 -1.087 -20.897 1.00 0.00 C ATOM 300 O SER A 19 -2.599 -1.545 -19.926 1.00 0.00 O ATOM 301 CB SER A 19 -5.658 -1.026 -20.389 1.00 0.00 C ATOM 302 OG SER A 19 -5.581 0.389 -20.502 1.00 0.00 O ATOM 0 H SER A 19 -5.049 -3.438 -20.264 1.00 0.00 H new ATOM 0 HA SER A 19 -4.793 -1.424 -22.320 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.647 -1.374 -20.689 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.515 -1.329 -19.352 1.00 0.00 H new ATOM 0 HG SER A 19 -6.268 0.800 -19.937 1.00 0.00 H new ATOM 308 N PRO A 20 -2.697 -0.103 -21.618 1.00 0.00 N ATOM 309 CA PRO A 20 -1.368 0.508 -21.298 1.00 0.00 C ATOM 310 C PRO A 20 -1.219 0.868 -19.817 1.00 0.00 C ATOM 311 O PRO A 20 -0.148 0.692 -19.236 1.00 0.00 O ATOM 312 CB PRO A 20 -1.339 1.787 -22.155 1.00 0.00 C ATOM 313 CG PRO A 20 -2.251 1.519 -23.309 1.00 0.00 C ATOM 314 CD PRO A 20 -3.304 0.518 -22.819 1.00 0.00 C ATOM 0 HA PRO A 20 -0.554 -0.186 -21.506 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -1.676 2.651 -21.582 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -0.328 2.006 -22.497 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -2.723 2.440 -23.651 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -1.696 1.113 -24.154 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -4.243 1.016 -22.576 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -3.527 -0.228 -23.582 1.00 0.00 H new ATOM 322 N ALA A 21 -2.283 1.393 -19.224 1.00 0.00 N ATOM 323 CA ALA A 21 -2.239 1.792 -17.821 1.00 0.00 C ATOM 324 C ALA A 21 -1.761 0.647 -16.932 1.00 0.00 C ATOM 325 O ALA A 21 -0.762 0.772 -16.222 1.00 0.00 O ATOM 326 CB ALA A 21 -3.632 2.241 -17.371 1.00 0.00 C ATOM 0 H ALA A 21 -3.179 1.552 -19.685 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.532 2.616 -17.725 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.597 2.539 -16.323 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.955 3.087 -17.978 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.336 1.418 -17.491 1.00 0.00 H new ATOM 332 N TYR A 22 -2.475 -0.468 -16.978 1.00 0.00 N ATOM 333 CA TYR A 22 -2.117 -1.623 -16.168 1.00 0.00 C ATOM 334 C TYR A 22 -0.735 -2.138 -16.555 1.00 0.00 C ATOM 335 O TYR A 22 0.120 -2.396 -15.703 1.00 0.00 O ATOM 336 CB TYR A 22 -3.160 -2.723 -16.362 1.00 0.00 C ATOM 337 CG TYR A 22 -2.822 -3.905 -15.493 1.00 0.00 C ATOM 338 CD1 TYR A 22 -1.944 -4.887 -15.957 1.00 0.00 C ATOM 339 CD2 TYR A 22 -3.390 -4.017 -14.219 1.00 0.00 C ATOM 340 CE1 TYR A 22 -1.632 -5.984 -15.150 1.00 0.00 C ATOM 341 CE2 TYR A 22 -3.080 -5.113 -13.408 1.00 0.00 C ATOM 342 CZ TYR A 22 -2.199 -6.098 -13.874 1.00 0.00 C ATOM 343 OH TYR A 22 -1.887 -7.178 -13.076 1.00 0.00 O ATOM 0 H TYR A 22 -3.300 -0.597 -17.563 1.00 0.00 H new ATOM 0 HA TYR A 22 -2.092 -1.328 -15.119 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -4.151 -2.346 -16.109 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -3.192 -3.026 -17.408 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.506 -4.798 -16.940 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.068 -3.256 -13.862 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.954 -6.744 -15.510 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -3.518 -5.200 -12.425 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.364 -7.103 -12.223 1.00 0.00 H new ATOM 353 N ARG A 23 -0.514 -2.278 -17.849 1.00 0.00 N ATOM 354 CA ARG A 23 0.765 -2.759 -18.328 1.00 0.00 C ATOM 355 C ARG A 23 1.885 -1.863 -17.806 1.00 0.00 C ATOM 356 O ARG A 23 2.929 -2.346 -17.359 1.00 0.00 O ATOM 357 CB ARG A 23 0.775 -2.773 -19.853 1.00 0.00 C ATOM 358 CG ARG A 23 2.021 -3.506 -20.343 1.00 0.00 C ATOM 359 CD ARG A 23 2.076 -3.464 -21.872 1.00 0.00 C ATOM 360 NE ARG A 23 2.271 -2.094 -22.333 1.00 0.00 N ATOM 361 CZ ARG A 23 2.281 -1.798 -23.631 1.00 0.00 C ATOM 362 NH1 ARG A 23 2.121 -2.743 -24.518 1.00 0.00 N ATOM 363 NH2 ARG A 23 2.454 -0.564 -24.017 1.00 0.00 N ATOM 0 H ARG A 23 -1.195 -2.068 -18.578 1.00 0.00 H new ATOM 0 HA ARG A 23 0.924 -3.774 -17.963 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.122 -3.265 -20.229 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.764 -1.753 -20.238 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.915 -3.044 -19.924 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.006 -4.540 -19.998 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.889 -4.095 -22.231 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.152 -3.867 -22.287 1.00 0.00 H new ATOM 0 HE ARG A 23 2.402 -1.349 -21.649 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.988 -3.708 -24.216 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.129 -2.516 -25.512 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.582 0.174 -23.324 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.462 -0.337 -25.011 1.00 0.00 H new ATOM 377 N GLN A 24 1.657 -0.556 -17.854 1.00 0.00 N ATOM 378 CA GLN A 24 2.649 0.397 -17.379 1.00 0.00 C ATOM 379 C GLN A 24 2.950 0.152 -15.907 1.00 0.00 C ATOM 380 O GLN A 24 4.095 0.276 -15.470 1.00 0.00 O ATOM 381 CB GLN A 24 2.137 1.825 -17.564 1.00 0.00 C ATOM 382 CG GLN A 24 3.267 2.819 -17.274 1.00 0.00 C ATOM 383 CD GLN A 24 4.344 2.712 -18.347 1.00 0.00 C ATOM 384 OE1 GLN A 24 4.033 2.557 -19.528 1.00 0.00 O ATOM 385 NE2 GLN A 24 5.601 2.786 -18.005 1.00 0.00 N ATOM 0 H GLN A 24 0.800 -0.135 -18.214 1.00 0.00 H new ATOM 0 HA GLN A 24 3.563 0.265 -17.959 1.00 0.00 H new ATOM 0 HB2 GLN A 24 1.771 1.962 -18.582 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.296 2.010 -16.896 1.00 0.00 H new ATOM 0 HG2 GLN A 24 2.871 3.834 -17.245 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.698 2.617 -16.293 1.00 0.00 H new ATOM 0 HE21 GLN A 24 5.856 2.914 -17.026 1.00 0.00 H new ATOM 0 HE22 GLN A 24 6.328 2.715 -18.717 1.00 0.00 H new ATOM 394 N LYS A 25 1.921 -0.199 -15.139 1.00 0.00 N ATOM 395 CA LYS A 25 2.123 -0.458 -13.717 1.00 0.00 C ATOM 396 C LYS A 25 3.122 -1.589 -13.541 1.00 0.00 C ATOM 397 O LYS A 25 4.015 -1.501 -12.700 1.00 0.00 O ATOM 398 CB LYS A 25 0.799 -0.836 -13.047 1.00 0.00 C ATOM 399 CG LYS A 25 -0.183 0.344 -13.102 1.00 0.00 C ATOM 400 CD LYS A 25 0.077 1.307 -11.943 1.00 0.00 C ATOM 401 CE LYS A 25 -0.914 2.464 -12.016 1.00 0.00 C ATOM 402 NZ LYS A 25 -0.679 3.379 -10.865 1.00 0.00 N ATOM 0 H LYS A 25 0.962 -0.309 -15.467 1.00 0.00 H new ATOM 0 HA LYS A 25 2.508 0.448 -13.248 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.365 -1.702 -13.546 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.977 -1.122 -12.010 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.077 0.870 -14.051 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.208 -0.025 -13.054 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.025 0.785 -10.992 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.098 1.685 -11.991 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.794 3.003 -12.956 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.936 2.086 -11.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.352 4.171 -10.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.814 2.859 -9.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.293 3.747 -10.907 1.00 0.00 H new ATOM 416 N LEU A 26 2.988 -2.642 -14.345 1.00 0.00 N ATOM 417 CA LEU A 26 3.929 -3.762 -14.253 1.00 0.00 C ATOM 418 C LEU A 26 5.342 -3.286 -14.592 1.00 0.00 C ATOM 419 O LEU A 26 6.307 -3.656 -13.927 1.00 0.00 O ATOM 420 CB LEU A 26 3.514 -4.900 -15.203 1.00 0.00 C ATOM 421 CG LEU A 26 2.485 -5.818 -14.524 1.00 0.00 C ATOM 422 CD1 LEU A 26 3.123 -6.551 -13.323 1.00 0.00 C ATOM 423 CD2 LEU A 26 1.288 -4.990 -14.058 1.00 0.00 C ATOM 0 H LEU A 26 2.259 -2.746 -15.050 1.00 0.00 H new ATOM 0 HA LEU A 26 3.915 -4.143 -13.232 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.091 -4.483 -16.117 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.391 -5.478 -15.493 1.00 0.00 H new ATOM 0 HG LEU A 26 2.149 -6.565 -15.244 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.380 -7.196 -12.854 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.962 -7.155 -13.669 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.478 -5.819 -12.597 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.559 -5.643 -13.577 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.623 -4.234 -13.348 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.827 -4.502 -14.917 1.00 0.00 H new ATOM 435 N LEU A 27 5.459 -2.466 -15.624 1.00 0.00 N ATOM 436 CA LEU A 27 6.761 -1.944 -16.024 1.00 0.00 C ATOM 437 C LEU A 27 7.279 -0.930 -15.005 1.00 0.00 C ATOM 438 O LEU A 27 8.487 -0.800 -14.799 1.00 0.00 O ATOM 439 CB LEU A 27 6.657 -1.286 -17.396 1.00 0.00 C ATOM 440 CG LEU A 27 6.059 -2.280 -18.396 1.00 0.00 C ATOM 441 CD1 LEU A 27 5.763 -1.553 -19.706 1.00 0.00 C ATOM 442 CD2 LEU A 27 7.053 -3.423 -18.661 1.00 0.00 C ATOM 0 H LEU A 27 4.677 -2.148 -16.197 1.00 0.00 H new ATOM 0 HA LEU A 27 7.463 -2.776 -16.071 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.033 -0.394 -17.337 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.643 -0.964 -17.732 1.00 0.00 H new ATOM 0 HG LEU A 27 5.140 -2.696 -17.985 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.337 -2.255 -20.423 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.054 -0.746 -19.522 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.687 -1.139 -20.109 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.619 -4.125 -19.373 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.977 -3.014 -19.071 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.269 -3.941 -17.727 1.00 0.00 H new ATOM 454 N SER A 28 6.358 -0.198 -14.386 1.00 0.00 N ATOM 455 CA SER A 28 6.732 0.821 -13.410 1.00 0.00 C ATOM 456 C SER A 28 7.539 0.224 -12.265 1.00 0.00 C ATOM 457 O SER A 28 8.545 0.792 -11.841 1.00 0.00 O ATOM 458 CB SER A 28 5.474 1.481 -12.846 1.00 0.00 C ATOM 459 OG SER A 28 4.760 2.114 -13.901 1.00 0.00 O ATOM 0 H SER A 28 5.354 -0.290 -14.541 1.00 0.00 H new ATOM 0 HA SER A 28 7.350 1.561 -13.919 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.844 0.735 -12.362 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.744 2.213 -12.084 1.00 0.00 H new ATOM 0 HG SER A 28 4.260 1.440 -14.408 1.00 0.00 H new ATOM 465 N LEU A 29 7.090 -0.925 -11.766 1.00 0.00 N ATOM 466 CA LEU A 29 7.771 -1.604 -10.658 1.00 0.00 C ATOM 467 C LEU A 29 8.269 -2.977 -11.108 1.00 0.00 C ATOM 468 O LEU A 29 7.878 -3.477 -12.162 1.00 0.00 O ATOM 469 CB LEU A 29 6.810 -1.755 -9.462 1.00 0.00 C ATOM 470 CG LEU A 29 5.372 -1.962 -9.960 1.00 0.00 C ATOM 471 CD1 LEU A 29 5.301 -3.215 -10.843 1.00 0.00 C ATOM 472 CD2 LEU A 29 4.441 -2.126 -8.754 1.00 0.00 C ATOM 0 H LEU A 29 6.259 -1.408 -12.108 1.00 0.00 H new ATOM 0 HA LEU A 29 8.627 -1.004 -10.350 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.115 -2.601 -8.846 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.860 -0.867 -8.832 1.00 0.00 H new ATOM 0 HG LEU A 29 5.062 -1.098 -10.547 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.278 -3.356 -11.193 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.964 -3.095 -11.700 1.00 0.00 H new ATOM 0 HD13 LEU A 29 5.610 -4.086 -10.265 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.418 -2.273 -9.101 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.753 -2.990 -8.168 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.488 -1.231 -8.134 1.00 0.00 H new ATOM 484 N GLY A 30 9.141 -3.577 -10.303 1.00 0.00 N ATOM 485 CA GLY A 30 9.692 -4.893 -10.622 1.00 0.00 C ATOM 486 C GLY A 30 8.812 -6.000 -10.050 1.00 0.00 C ATOM 487 O GLY A 30 9.180 -7.173 -10.075 1.00 0.00 O ATOM 0 H GLY A 30 9.481 -3.176 -9.429 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.771 -5.007 -11.703 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.701 -4.978 -10.218 1.00 0.00 H new ATOM 491 N MET A 31 7.646 -5.617 -9.536 1.00 0.00 N ATOM 492 CA MET A 31 6.718 -6.586 -8.960 1.00 0.00 C ATOM 493 C MET A 31 5.967 -7.306 -10.068 1.00 0.00 C ATOM 494 O MET A 31 4.787 -7.049 -10.301 1.00 0.00 O ATOM 495 CB MET A 31 5.710 -5.879 -8.052 1.00 0.00 C ATOM 496 CG MET A 31 6.449 -5.138 -6.938 1.00 0.00 C ATOM 497 SD MET A 31 7.288 -6.340 -5.872 1.00 0.00 S ATOM 498 CE MET A 31 8.772 -5.361 -5.531 1.00 0.00 C ATOM 0 H MET A 31 7.323 -4.650 -9.506 1.00 0.00 H new ATOM 0 HA MET A 31 7.290 -7.306 -8.375 1.00 0.00 H new ATOM 0 HB2 MET A 31 5.112 -5.177 -8.634 1.00 0.00 H new ATOM 0 HB3 MET A 31 5.021 -6.606 -7.623 1.00 0.00 H new ATOM 0 HG2 MET A 31 7.174 -4.445 -7.365 1.00 0.00 H new ATOM 0 HG3 MET A 31 5.747 -4.544 -6.353 1.00 0.00 H new ATOM 0 HE1 MET A 31 9.078 -5.512 -4.496 1.00 0.00 H new ATOM 0 HE2 MET A 31 9.576 -5.675 -6.196 1.00 0.00 H new ATOM 0 HE3 MET A 31 8.557 -4.305 -5.696 1.00 0.00 H new ATOM 508 N LEU A 32 6.666 -8.198 -10.756 1.00 0.00 N ATOM 509 CA LEU A 32 6.068 -8.948 -11.856 1.00 0.00 C ATOM 510 C LEU A 32 5.477 -10.265 -11.336 1.00 0.00 C ATOM 511 O LEU A 32 5.733 -10.654 -10.196 1.00 0.00 O ATOM 512 CB LEU A 32 7.157 -9.199 -12.930 1.00 0.00 C ATOM 513 CG LEU A 32 6.887 -8.337 -14.179 1.00 0.00 C ATOM 514 CD1 LEU A 32 7.268 -6.887 -13.879 1.00 0.00 C ATOM 515 CD2 LEU A 32 7.716 -8.848 -15.355 1.00 0.00 C ATOM 0 H LEU A 32 7.645 -8.421 -10.574 1.00 0.00 H new ATOM 0 HA LEU A 32 5.253 -8.380 -12.304 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.140 -8.963 -12.523 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.171 -10.254 -13.204 1.00 0.00 H new ATOM 0 HG LEU A 32 5.830 -8.397 -14.437 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.079 -6.272 -14.759 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.671 -6.519 -13.044 1.00 0.00 H new ATOM 0 HD13 LEU A 32 8.325 -6.835 -13.620 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.519 -8.233 -16.233 1.00 0.00 H new ATOM 0 HD22 LEU A 32 8.775 -8.794 -15.104 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.446 -9.882 -15.568 1.00 0.00 H new ATOM 527 N PRO A 33 4.691 -10.948 -12.136 1.00 0.00 N ATOM 528 CA PRO A 33 4.060 -12.233 -11.725 1.00 0.00 C ATOM 529 C PRO A 33 5.036 -13.154 -11.009 1.00 0.00 C ATOM 530 O PRO A 33 6.221 -12.850 -10.882 1.00 0.00 O ATOM 531 CB PRO A 33 3.603 -12.855 -13.043 1.00 0.00 C ATOM 532 CG PRO A 33 3.363 -11.697 -13.952 1.00 0.00 C ATOM 533 CD PRO A 33 4.317 -10.581 -13.515 1.00 0.00 C ATOM 0 HA PRO A 33 3.247 -12.074 -11.016 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.362 -13.524 -13.448 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.697 -13.445 -12.908 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.546 -11.977 -14.990 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.327 -11.365 -13.889 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.191 -10.527 -14.164 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.832 -9.605 -13.550 1.00 0.00 H new ATOM 541 N GLY A 34 4.523 -14.291 -10.553 1.00 0.00 N ATOM 542 CA GLY A 34 5.342 -15.276 -9.853 1.00 0.00 C ATOM 543 C GLY A 34 4.834 -15.477 -8.430 1.00 0.00 C ATOM 544 O GLY A 34 5.404 -16.249 -7.659 1.00 0.00 O ATOM 0 H GLY A 34 3.543 -14.555 -10.655 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.320 -16.224 -10.391 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.380 -14.945 -9.832 1.00 0.00 H new ATOM 548 N SER A 35 3.754 -14.775 -8.091 1.00 0.00 N ATOM 549 CA SER A 35 3.153 -14.871 -6.757 1.00 0.00 C ATOM 550 C SER A 35 1.639 -15.004 -6.867 1.00 0.00 C ATOM 551 O SER A 35 1.116 -15.455 -7.887 1.00 0.00 O ATOM 552 CB SER A 35 3.492 -13.627 -5.934 1.00 0.00 C ATOM 553 OG SER A 35 2.979 -13.783 -4.617 1.00 0.00 O ATOM 0 H SER A 35 3.275 -14.132 -8.721 1.00 0.00 H new ATOM 0 HA SER A 35 3.557 -15.754 -6.262 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.572 -13.481 -5.902 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.064 -12.740 -6.401 1.00 0.00 H new ATOM 0 HG SER A 35 2.468 -12.985 -4.368 1.00 0.00 H new ATOM 559 N SER A 36 0.939 -14.610 -5.809 1.00 0.00 N ATOM 560 CA SER A 36 -0.518 -14.691 -5.788 1.00 0.00 C ATOM 561 C SER A 36 -1.101 -13.603 -4.897 1.00 0.00 C ATOM 562 O SER A 36 -0.402 -13.021 -4.069 1.00 0.00 O ATOM 563 CB SER A 36 -0.956 -16.062 -5.271 1.00 0.00 C ATOM 564 OG SER A 36 -0.300 -16.329 -4.039 1.00 0.00 O ATOM 0 H SER A 36 1.354 -14.233 -4.957 1.00 0.00 H new ATOM 0 HA SER A 36 -0.886 -14.550 -6.804 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.037 -16.083 -5.133 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.712 -16.834 -6.001 1.00 0.00 H new ATOM 0 HG SER A 36 -0.579 -17.206 -3.703 1.00 0.00 H new ATOM 570 N PHE A 37 -2.392 -13.329 -5.079 1.00 0.00 N ATOM 571 CA PHE A 37 -3.074 -12.303 -4.293 1.00 0.00 C ATOM 572 C PHE A 37 -4.459 -12.786 -3.882 1.00 0.00 C ATOM 573 O PHE A 37 -5.039 -13.668 -4.518 1.00 0.00 O ATOM 574 CB PHE A 37 -3.205 -11.017 -5.112 1.00 0.00 C ATOM 575 CG PHE A 37 -4.086 -11.262 -6.314 1.00 0.00 C ATOM 576 CD1 PHE A 37 -3.531 -11.708 -7.521 1.00 0.00 C ATOM 577 CD2 PHE A 37 -5.464 -11.045 -6.220 1.00 0.00 C ATOM 578 CE1 PHE A 37 -4.352 -11.937 -8.630 1.00 0.00 C ATOM 579 CE2 PHE A 37 -6.287 -11.274 -7.328 1.00 0.00 C ATOM 580 CZ PHE A 37 -5.731 -11.720 -8.533 1.00 0.00 C ATOM 0 H PHE A 37 -2.985 -13.802 -5.762 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.485 -12.104 -3.398 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.628 -10.224 -4.495 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.220 -10.679 -5.435 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.467 -11.875 -7.595 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.894 -10.700 -5.291 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.922 -12.281 -9.559 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.351 -11.107 -7.254 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.367 -11.897 -9.388 1.00 0.00 H new ATOM 590 N ASN A 38 -4.981 -12.203 -2.803 1.00 0.00 N ATOM 591 CA ASN A 38 -6.301 -12.574 -2.291 1.00 0.00 C ATOM 592 C ASN A 38 -7.306 -11.457 -2.547 1.00 0.00 C ATOM 593 O ASN A 38 -6.965 -10.268 -2.511 1.00 0.00 O ATOM 594 CB ASN A 38 -6.212 -12.849 -0.789 1.00 0.00 C ATOM 595 CG ASN A 38 -5.337 -14.072 -0.532 1.00 0.00 C ATOM 596 OD1 ASN A 38 -5.033 -14.865 -1.523 1.00 0.00 O flip ATOM 597 ND2 ASN A 38 -4.916 -14.309 0.599 1.00 0.00 N flip ATOM 0 H ASN A 38 -4.511 -11.473 -2.267 1.00 0.00 H new ATOM 0 HA ASN A 38 -6.636 -13.473 -2.808 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.797 -11.981 -0.276 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -7.210 -13.013 -0.382 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.154 -13.688 1.372 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -4.328 -15.126 0.764 1.00 0.00 H new ATOM 604 N VAL A 39 -8.551 -11.847 -2.809 1.00 0.00 N ATOM 605 CA VAL A 39 -9.605 -10.876 -3.074 1.00 0.00 C ATOM 606 C VAL A 39 -10.296 -10.472 -1.775 1.00 0.00 C ATOM 607 O VAL A 39 -10.758 -11.326 -1.016 1.00 0.00 O ATOM 608 CB VAL A 39 -10.642 -11.483 -4.021 1.00 0.00 C ATOM 609 CG1 VAL A 39 -11.759 -10.463 -4.286 1.00 0.00 C ATOM 610 CG2 VAL A 39 -9.967 -11.877 -5.338 1.00 0.00 C ATOM 0 H VAL A 39 -8.852 -12.821 -2.843 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.155 -9.995 -3.531 1.00 0.00 H new ATOM 0 HB VAL A 39 -11.075 -12.372 -3.563 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -12.496 -10.898 -4.961 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.240 -10.198 -3.345 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -11.334 -9.568 -4.741 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -10.707 -12.309 -6.011 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -9.528 -10.993 -5.801 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -9.184 -12.610 -5.141 1.00 0.00 H new ATOM 620 N VAL A 40 -10.365 -9.170 -1.526 1.00 0.00 N ATOM 621 CA VAL A 40 -11.004 -8.665 -0.316 1.00 0.00 C ATOM 622 C VAL A 40 -12.509 -8.925 -0.339 1.00 0.00 C ATOM 623 O VAL A 40 -13.093 -9.314 0.672 1.00 0.00 O ATOM 624 CB VAL A 40 -10.715 -7.160 -0.163 1.00 0.00 C ATOM 625 CG1 VAL A 40 -10.946 -6.431 -1.492 1.00 0.00 C ATOM 626 CG2 VAL A 40 -11.630 -6.560 0.913 1.00 0.00 C ATOM 0 H VAL A 40 -9.989 -8.448 -2.141 1.00 0.00 H new ATOM 0 HA VAL A 40 -10.590 -9.195 0.542 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.673 -7.036 0.132 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -10.737 -5.369 -1.365 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.283 -6.843 -2.253 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.982 -6.562 -1.804 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -11.421 -5.495 1.016 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -12.672 -6.698 0.623 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -11.449 -7.059 1.865 1.00 0.00 H new ATOM 636 N ARG A 41 -13.124 -8.702 -1.491 1.00 0.00 N ATOM 637 CA ARG A 41 -14.556 -8.900 -1.635 1.00 0.00 C ATOM 638 C ARG A 41 -14.964 -8.718 -3.088 1.00 0.00 C ATOM 639 O ARG A 41 -14.274 -8.039 -3.849 1.00 0.00 O ATOM 640 CB ARG A 41 -15.303 -7.883 -0.765 1.00 0.00 C ATOM 641 CG ARG A 41 -15.064 -6.467 -1.302 1.00 0.00 C ATOM 642 CD ARG A 41 -15.676 -5.449 -0.337 1.00 0.00 C ATOM 643 NE ARG A 41 -15.544 -4.098 -0.872 1.00 0.00 N ATOM 644 CZ ARG A 41 -15.717 -3.032 -0.097 1.00 0.00 C ATOM 645 NH1 ARG A 41 -16.003 -3.182 1.168 1.00 0.00 N ATOM 646 NH2 ARG A 41 -15.601 -1.834 -0.601 1.00 0.00 N ATOM 0 H ARG A 41 -12.653 -8.384 -2.338 1.00 0.00 H new ATOM 0 HA ARG A 41 -14.809 -9.911 -1.317 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -16.370 -8.106 -0.763 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -14.961 -7.953 0.268 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.995 -6.283 -1.412 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -15.510 -6.361 -2.291 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -16.728 -5.681 -0.173 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -15.181 -5.513 0.632 1.00 0.00 H new ATOM 0 HE ARG A 41 -15.315 -3.969 -1.858 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -16.094 -4.118 1.563 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -16.135 -2.363 1.762 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -15.378 -1.716 -1.589 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -15.734 -1.016 -0.007 1.00 0.00 H new ATOM 660 N VAL A 42 -16.094 -9.307 -3.469 1.00 0.00 N ATOM 661 CA VAL A 42 -16.597 -9.177 -4.840 1.00 0.00 C ATOM 662 C VAL A 42 -18.032 -8.670 -4.816 1.00 0.00 C ATOM 663 O VAL A 42 -18.906 -9.288 -4.209 1.00 0.00 O ATOM 664 CB VAL A 42 -16.539 -10.534 -5.540 1.00 0.00 C ATOM 665 CG1 VAL A 42 -15.091 -11.025 -5.548 1.00 0.00 C ATOM 666 CG2 VAL A 42 -17.430 -11.540 -4.797 1.00 0.00 C ATOM 0 H VAL A 42 -16.678 -9.876 -2.856 1.00 0.00 H new ATOM 0 HA VAL A 42 -15.976 -8.466 -5.385 1.00 0.00 H new ATOM 0 HB VAL A 42 -16.899 -10.438 -6.564 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -15.038 -11.993 -6.045 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.467 -10.308 -6.082 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -14.735 -11.124 -4.523 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -17.385 -12.506 -5.300 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -17.079 -11.648 -3.771 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -18.459 -11.181 -4.792 1.00 0.00 H new ATOM 676 N ALA A 43 -18.279 -7.534 -5.473 1.00 0.00 N ATOM 677 CA ALA A 43 -19.628 -6.964 -5.505 1.00 0.00 C ATOM 678 C ALA A 43 -20.376 -7.416 -6.777 1.00 0.00 C ATOM 679 O ALA A 43 -20.030 -6.976 -7.876 1.00 0.00 O ATOM 680 CB ALA A 43 -19.538 -5.434 -5.485 1.00 0.00 C ATOM 0 H ALA A 43 -17.576 -6.998 -5.982 1.00 0.00 H new ATOM 0 HA ALA A 43 -20.176 -7.314 -4.631 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -20.542 -5.010 -5.509 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -19.029 -5.111 -4.577 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -18.979 -5.091 -6.355 1.00 0.00 H new ATOM 686 N PRO A 44 -21.389 -8.261 -6.669 1.00 0.00 N ATOM 687 CA PRO A 44 -22.163 -8.732 -7.857 1.00 0.00 C ATOM 688 C PRO A 44 -23.147 -7.675 -8.365 1.00 0.00 C ATOM 689 O PRO A 44 -23.722 -7.820 -9.443 1.00 0.00 O ATOM 690 CB PRO A 44 -22.889 -9.983 -7.352 1.00 0.00 C ATOM 691 CG PRO A 44 -23.064 -9.769 -5.879 1.00 0.00 C ATOM 692 CD PRO A 44 -21.915 -8.860 -5.418 1.00 0.00 C ATOM 0 HA PRO A 44 -21.518 -8.936 -8.712 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -23.851 -10.107 -7.849 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -22.308 -10.883 -7.553 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -24.029 -9.308 -5.668 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -23.042 -10.719 -5.346 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -22.268 -8.093 -4.729 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -21.145 -9.428 -4.896 1.00 0.00 H new ATOM 700 N LEU A 45 -23.353 -6.632 -7.569 1.00 0.00 N ATOM 701 CA LEU A 45 -24.289 -5.574 -7.934 1.00 0.00 C ATOM 702 C LEU A 45 -23.882 -4.912 -9.247 1.00 0.00 C ATOM 703 O LEU A 45 -24.735 -4.459 -10.011 1.00 0.00 O ATOM 704 CB LEU A 45 -24.329 -4.519 -6.825 1.00 0.00 C ATOM 705 CG LEU A 45 -24.582 -5.195 -5.474 1.00 0.00 C ATOM 706 CD1 LEU A 45 -24.552 -4.137 -4.369 1.00 0.00 C ATOM 707 CD2 LEU A 45 -25.952 -5.891 -5.484 1.00 0.00 C ATOM 0 H LEU A 45 -22.888 -6.496 -6.672 1.00 0.00 H new ATOM 0 HA LEU A 45 -25.276 -6.019 -8.061 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -23.387 -3.972 -6.797 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -25.114 -3.792 -7.031 1.00 0.00 H new ATOM 0 HG LEU A 45 -23.808 -5.940 -5.292 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -24.732 -4.613 -3.405 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -23.577 -3.650 -4.358 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -25.326 -3.393 -4.556 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -26.124 -6.369 -4.520 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -26.733 -5.154 -5.668 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -25.972 -6.645 -6.271 1.00 0.00 H new ATOM 719 N GLY A 46 -22.578 -4.860 -9.511 1.00 0.00 N ATOM 720 CA GLY A 46 -22.071 -4.250 -10.744 1.00 0.00 C ATOM 721 C GLY A 46 -20.933 -3.284 -10.443 1.00 0.00 C ATOM 722 O GLY A 46 -20.679 -2.354 -11.208 1.00 0.00 O ATOM 0 H GLY A 46 -21.855 -5.230 -8.894 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -21.723 -5.028 -11.423 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -22.878 -3.721 -11.252 1.00 0.00 H new ATOM 726 N ASP A 47 -20.249 -3.502 -9.322 1.00 0.00 N ATOM 727 CA ASP A 47 -19.138 -2.637 -8.928 1.00 0.00 C ATOM 728 C ASP A 47 -17.810 -3.275 -9.351 1.00 0.00 C ATOM 729 O ASP A 47 -17.737 -4.480 -9.590 1.00 0.00 O ATOM 730 CB ASP A 47 -19.175 -2.422 -7.394 1.00 0.00 C ATOM 731 CG ASP A 47 -19.691 -1.023 -7.049 1.00 0.00 C ATOM 732 OD1 ASP A 47 -20.650 -0.595 -7.668 1.00 0.00 O ATOM 733 OD2 ASP A 47 -19.110 -0.401 -6.173 1.00 0.00 O ATOM 0 H ASP A 47 -20.442 -4.265 -8.674 1.00 0.00 H new ATOM 0 HA ASP A 47 -19.230 -1.670 -9.423 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -19.816 -3.174 -6.933 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -18.176 -2.557 -6.980 1.00 0.00 H new ATOM 738 N PRO A 48 -16.769 -2.492 -9.444 1.00 0.00 N ATOM 739 CA PRO A 48 -15.417 -2.984 -9.846 1.00 0.00 C ATOM 740 C PRO A 48 -14.923 -4.091 -8.920 1.00 0.00 C ATOM 741 O PRO A 48 -15.522 -4.359 -7.879 1.00 0.00 O ATOM 742 CB PRO A 48 -14.518 -1.736 -9.758 1.00 0.00 C ATOM 743 CG PRO A 48 -15.282 -0.766 -8.907 1.00 0.00 C ATOM 744 CD PRO A 48 -16.756 -1.050 -9.172 1.00 0.00 C ATOM 0 HA PRO A 48 -15.419 -3.426 -10.842 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.552 -1.976 -9.313 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -14.319 -1.322 -10.747 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -15.042 -0.898 -7.852 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -15.030 0.263 -9.165 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -17.377 -0.795 -8.313 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -17.132 -0.476 -10.019 1.00 0.00 H new ATOM 752 N ILE A 49 -13.831 -4.742 -9.317 1.00 0.00 N ATOM 753 CA ILE A 49 -13.274 -5.830 -8.525 1.00 0.00 C ATOM 754 C ILE A 49 -12.210 -5.293 -7.579 1.00 0.00 C ATOM 755 O ILE A 49 -11.153 -4.834 -8.014 1.00 0.00 O ATOM 756 CB ILE A 49 -12.646 -6.873 -9.462 1.00 0.00 C ATOM 757 CG1 ILE A 49 -13.522 -7.020 -10.714 1.00 0.00 C ATOM 758 CG2 ILE A 49 -12.520 -8.224 -8.747 1.00 0.00 C ATOM 759 CD1 ILE A 49 -14.968 -7.334 -10.319 1.00 0.00 C ATOM 0 H ILE A 49 -13.320 -4.535 -10.175 1.00 0.00 H new ATOM 0 HA ILE A 49 -14.070 -6.292 -7.941 1.00 0.00 H new ATOM 0 HB ILE A 49 -11.649 -6.542 -9.752 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.489 -6.101 -11.299 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -13.131 -7.815 -11.348 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -12.074 -8.953 -9.423 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -11.888 -8.112 -7.866 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -13.509 -8.569 -8.443 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -15.577 -7.435 -11.217 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -14.997 -8.266 -9.754 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -15.361 -6.525 -9.704 1.00 0.00 H new ATOM 771 N HIS A 50 -12.492 -5.363 -6.282 1.00 0.00 N ATOM 772 CA HIS A 50 -11.552 -4.889 -5.273 1.00 0.00 C ATOM 773 C HIS A 50 -10.720 -6.048 -4.757 1.00 0.00 C ATOM 774 O HIS A 50 -11.258 -7.024 -4.236 1.00 0.00 O ATOM 775 CB HIS A 50 -12.309 -4.250 -4.107 1.00 0.00 C ATOM 776 CG HIS A 50 -12.890 -2.934 -4.549 1.00 0.00 C ATOM 777 ND1 HIS A 50 -13.010 -1.856 -3.686 1.00 0.00 N ATOM 778 CD2 HIS A 50 -13.370 -2.500 -5.760 1.00 0.00 C ATOM 779 CE1 HIS A 50 -13.541 -0.835 -4.384 1.00 0.00 C ATOM 780 NE2 HIS A 50 -13.779 -1.174 -5.653 1.00 0.00 N ATOM 0 H HIS A 50 -13.361 -5.742 -5.906 1.00 0.00 H new ATOM 0 HA HIS A 50 -10.897 -4.145 -5.727 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -13.103 -4.915 -3.767 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -11.637 -4.098 -3.262 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -12.744 -1.839 -2.701 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -13.422 -3.097 -6.659 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -13.749 0.140 -3.968 1.00 0.00 H new ATOM 788 N ILE A 51 -9.403 -5.937 -4.906 1.00 0.00 N ATOM 789 CA ILE A 51 -8.494 -6.985 -4.452 1.00 0.00 C ATOM 790 C ILE A 51 -7.407 -6.397 -3.562 1.00 0.00 C ATOM 791 O ILE A 51 -7.016 -5.241 -3.728 1.00 0.00 O ATOM 792 CB ILE A 51 -7.860 -7.687 -5.666 1.00 0.00 C ATOM 793 CG1 ILE A 51 -7.064 -6.676 -6.509 1.00 0.00 C ATOM 794 CG2 ILE A 51 -8.965 -8.307 -6.538 1.00 0.00 C ATOM 795 CD1 ILE A 51 -6.273 -7.420 -7.586 1.00 0.00 C ATOM 0 H ILE A 51 -8.943 -5.135 -5.336 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.060 -7.714 -3.872 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.187 -8.466 -5.308 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.742 -5.958 -6.971 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.386 -6.109 -5.871 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.515 -8.804 -7.397 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.526 -9.034 -5.951 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.638 -7.523 -6.884 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.709 -6.704 -8.183 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.584 -8.120 -7.113 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.961 -7.967 -8.230 1.00 0.00 H new ATOM 807 N GLU A 52 -6.918 -7.200 -2.616 1.00 0.00 N ATOM 808 CA GLU A 52 -5.866 -6.753 -1.698 1.00 0.00 C ATOM 809 C GLU A 52 -4.630 -7.619 -1.857 1.00 0.00 C ATOM 810 O GLU A 52 -4.706 -8.844 -1.750 1.00 0.00 O ATOM 811 CB GLU A 52 -6.369 -6.821 -0.255 1.00 0.00 C ATOM 812 CG GLU A 52 -7.353 -5.677 -0.002 1.00 0.00 C ATOM 813 CD GLU A 52 -6.607 -4.348 0.038 1.00 0.00 C ATOM 814 OE1 GLU A 52 -5.411 -4.371 0.280 1.00 0.00 O ATOM 815 OE2 GLU A 52 -7.242 -3.328 -0.164 1.00 0.00 O ATOM 0 H GLU A 52 -7.231 -8.159 -2.465 1.00 0.00 H new ATOM 0 HA GLU A 52 -5.606 -5.722 -1.936 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.855 -7.780 -0.073 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.530 -6.753 0.437 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.109 -5.656 -0.787 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.877 -5.838 0.940 1.00 0.00 H new ATOM 822 N THR A 53 -3.486 -6.982 -2.111 1.00 0.00 N ATOM 823 CA THR A 53 -2.234 -7.714 -2.279 1.00 0.00 C ATOM 824 C THR A 53 -1.305 -7.413 -1.115 1.00 0.00 C ATOM 825 O THR A 53 -1.182 -6.265 -0.688 1.00 0.00 O ATOM 826 CB THR A 53 -1.570 -7.303 -3.591 1.00 0.00 C ATOM 827 OG1 THR A 53 -0.895 -6.065 -3.407 1.00 0.00 O ATOM 828 CG2 THR A 53 -2.640 -7.152 -4.682 1.00 0.00 C ATOM 0 H THR A 53 -3.402 -5.970 -2.204 1.00 0.00 H new ATOM 0 HA THR A 53 -2.442 -8.784 -2.303 1.00 0.00 H new ATOM 0 HB THR A 53 -0.853 -8.066 -3.894 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.552 -5.353 -3.257 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.166 -6.859 -5.619 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.157 -8.102 -4.819 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.358 -6.388 -4.384 1.00 0.00 H new ATOM 836 N ARG A 54 -0.661 -8.456 -0.606 1.00 0.00 N ATOM 837 CA ARG A 54 0.248 -8.311 0.526 1.00 0.00 C ATOM 838 C ARG A 54 1.062 -7.031 0.405 1.00 0.00 C ATOM 839 O ARG A 54 1.293 -6.332 1.391 1.00 0.00 O ATOM 840 CB ARG A 54 1.196 -9.509 0.581 1.00 0.00 C ATOM 841 CG ARG A 54 0.383 -10.804 0.636 1.00 0.00 C ATOM 842 CD ARG A 54 1.337 -11.999 0.668 1.00 0.00 C ATOM 843 NE ARG A 54 2.061 -12.097 -0.595 1.00 0.00 N ATOM 844 CZ ARG A 54 2.994 -13.024 -0.784 1.00 0.00 C ATOM 845 NH1 ARG A 54 3.278 -13.871 0.167 1.00 0.00 N ATOM 846 NH2 ARG A 54 3.630 -13.085 -1.923 1.00 0.00 N ATOM 0 H ARG A 54 -0.750 -9.409 -0.957 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.345 -8.264 1.439 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.845 -9.512 -0.294 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.841 -9.435 1.456 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.255 -10.809 1.520 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.274 -10.872 -0.231 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.042 -11.890 1.492 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.777 -12.917 0.847 1.00 0.00 H new ATOM 0 HE ARG A 54 1.847 -11.442 -1.347 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.783 -13.822 1.058 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.995 -14.582 0.020 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.410 -12.422 -2.666 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.346 -13.796 -2.070 1.00 0.00 H new ATOM 860 N ARG A 55 1.495 -6.732 -0.814 1.00 0.00 N ATOM 861 CA ARG A 55 2.282 -5.533 -1.048 1.00 0.00 C ATOM 862 C ARG A 55 1.446 -4.276 -0.842 1.00 0.00 C ATOM 863 O ARG A 55 1.857 -3.363 -0.128 1.00 0.00 O ATOM 864 CB ARG A 55 2.829 -5.548 -2.477 1.00 0.00 C ATOM 865 CG ARG A 55 3.883 -4.453 -2.634 1.00 0.00 C ATOM 866 CD ARG A 55 4.507 -4.539 -4.025 1.00 0.00 C ATOM 867 NE ARG A 55 5.466 -3.455 -4.214 1.00 0.00 N ATOM 868 CZ ARG A 55 6.702 -3.537 -3.733 1.00 0.00 C ATOM 869 NH1 ARG A 55 7.074 -4.597 -3.069 1.00 0.00 N ATOM 870 NH2 ARG A 55 7.541 -2.557 -3.922 1.00 0.00 N ATOM 0 H ARG A 55 1.316 -7.297 -1.644 1.00 0.00 H new ATOM 0 HA ARG A 55 3.104 -5.522 -0.333 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.266 -6.522 -2.700 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.019 -5.392 -3.189 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.429 -3.473 -2.488 1.00 0.00 H new ATOM 0 HG3 ARG A 55 4.654 -4.564 -1.871 1.00 0.00 H new ATOM 0 HD2 ARG A 55 5.005 -5.501 -4.150 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.728 -4.482 -4.785 1.00 0.00 H new ATOM 0 HE ARG A 55 5.182 -2.619 -4.725 1.00 0.00 H new ATOM 0 HH11 ARG A 55 6.416 -5.362 -2.919 1.00 0.00 H new ATOM 0 HH12 ARG A 55 8.023 -4.661 -2.700 1.00 0.00 H new ATOM 0 HH21 ARG A 55 7.249 -1.728 -4.439 1.00 0.00 H new ATOM 0 HH22 ARG A 55 8.490 -2.620 -3.553 1.00 0.00 H new ATOM 884 N VAL A 56 0.270 -4.241 -1.468 1.00 0.00 N ATOM 885 CA VAL A 56 -0.620 -3.085 -1.357 1.00 0.00 C ATOM 886 C VAL A 56 -2.024 -3.441 -1.840 1.00 0.00 C ATOM 887 O VAL A 56 -2.297 -4.584 -2.205 1.00 0.00 O ATOM 888 CB VAL A 56 -0.084 -1.915 -2.206 1.00 0.00 C ATOM 889 CG1 VAL A 56 1.111 -1.238 -1.521 1.00 0.00 C ATOM 890 CG2 VAL A 56 0.356 -2.447 -3.577 1.00 0.00 C ATOM 0 H VAL A 56 -0.087 -4.995 -2.054 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.660 -2.791 -0.308 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.879 -1.179 -2.321 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.469 -0.417 -2.142 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.802 -0.851 -0.550 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.912 -1.965 -1.384 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.736 -1.624 -4.182 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.141 -3.192 -3.444 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.496 -2.904 -4.080 1.00 0.00 H new ATOM 900 N SER A 57 -2.907 -2.440 -1.849 1.00 0.00 N ATOM 901 CA SER A 57 -4.286 -2.636 -2.298 1.00 0.00 C ATOM 902 C SER A 57 -4.434 -2.230 -3.761 1.00 0.00 C ATOM 903 O SER A 57 -3.910 -1.200 -4.186 1.00 0.00 O ATOM 904 CB SER A 57 -5.238 -1.796 -1.448 1.00 0.00 C ATOM 905 OG SER A 57 -6.562 -1.938 -1.949 1.00 0.00 O ATOM 0 H SER A 57 -2.692 -1.488 -1.551 1.00 0.00 H new ATOM 0 HA SER A 57 -4.533 -3.692 -2.191 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.194 -2.116 -0.407 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.938 -0.748 -1.472 1.00 0.00 H new ATOM 0 HG SER A 57 -7.147 -2.270 -1.237 1.00 0.00 H new ATOM 911 N LEU A 58 -5.155 -3.046 -4.528 1.00 0.00 N ATOM 912 CA LEU A 58 -5.378 -2.769 -5.949 1.00 0.00 C ATOM 913 C LEU A 58 -6.825 -3.069 -6.317 1.00 0.00 C ATOM 914 O LEU A 58 -7.432 -4.002 -5.792 1.00 0.00 O ATOM 915 CB LEU A 58 -4.437 -3.628 -6.806 1.00 0.00 C ATOM 916 CG LEU A 58 -4.666 -3.356 -8.303 1.00 0.00 C ATOM 917 CD1 LEU A 58 -4.374 -1.883 -8.637 1.00 0.00 C ATOM 918 CD2 LEU A 58 -3.744 -4.262 -9.126 1.00 0.00 C ATOM 0 H LEU A 58 -5.595 -3.903 -4.192 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.172 -1.716 -6.139 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.401 -3.411 -6.546 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.605 -4.684 -6.593 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.708 -3.566 -8.545 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.542 -1.711 -9.700 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.036 -1.240 -8.056 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.337 -1.653 -8.391 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.902 -4.074 -10.188 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.705 -4.052 -8.871 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.968 -5.306 -8.905 1.00 0.00 H new ATOM 930 N VAL A 59 -7.370 -2.273 -7.235 1.00 0.00 N ATOM 931 CA VAL A 59 -8.747 -2.455 -7.696 1.00 0.00 C ATOM 932 C VAL A 59 -8.770 -2.560 -9.215 1.00 0.00 C ATOM 933 O VAL A 59 -8.173 -1.740 -9.913 1.00 0.00 O ATOM 934 CB VAL A 59 -9.621 -1.280 -7.254 1.00 0.00 C ATOM 935 CG1 VAL A 59 -9.109 0.011 -7.894 1.00 0.00 C ATOM 936 CG2 VAL A 59 -11.065 -1.529 -7.698 1.00 0.00 C ATOM 0 H VAL A 59 -6.879 -1.495 -7.675 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.142 -3.372 -7.258 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.581 -1.186 -6.169 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.733 0.847 -7.578 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.080 0.189 -7.582 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -9.148 -0.081 -8.979 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -11.691 -0.694 -7.385 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -11.101 -1.622 -8.783 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.432 -2.449 -7.242 1.00 0.00 H new ATOM 946 N LEU A 60 -9.449 -3.583 -9.725 1.00 0.00 N ATOM 947 CA LEU A 60 -9.534 -3.806 -11.168 1.00 0.00 C ATOM 948 C LEU A 60 -10.970 -4.117 -11.576 1.00 0.00 C ATOM 949 O LEU A 60 -11.803 -4.463 -10.741 1.00 0.00 O ATOM 950 CB LEU A 60 -8.624 -4.976 -11.558 1.00 0.00 C ATOM 951 CG LEU A 60 -7.168 -4.655 -11.211 1.00 0.00 C ATOM 952 CD1 LEU A 60 -6.316 -5.913 -11.405 1.00 0.00 C ATOM 953 CD2 LEU A 60 -6.633 -3.537 -12.122 1.00 0.00 C ATOM 0 H LEU A 60 -9.949 -4.271 -9.162 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.212 -2.901 -11.684 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.939 -5.880 -11.036 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.715 -5.176 -12.626 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.116 -4.322 -10.175 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.278 -5.691 -11.159 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.682 -6.705 -10.751 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.381 -6.240 -12.443 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.597 -3.321 -11.862 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.687 -3.858 -13.162 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.236 -2.639 -11.988 1.00 0.00 H new ATOM 965 N ARG A 61 -11.258 -3.981 -12.869 1.00 0.00 N ATOM 966 CA ARG A 61 -12.599 -4.250 -13.388 1.00 0.00 C ATOM 967 C ARG A 61 -12.717 -5.699 -13.845 1.00 0.00 C ATOM 968 O ARG A 61 -11.717 -6.394 -14.007 1.00 0.00 O ATOM 969 CB ARG A 61 -12.906 -3.317 -14.555 1.00 0.00 C ATOM 970 CG ARG A 61 -13.099 -1.898 -14.025 1.00 0.00 C ATOM 971 CD ARG A 61 -13.621 -1.007 -15.143 1.00 0.00 C ATOM 972 NE ARG A 61 -12.615 -0.852 -16.187 1.00 0.00 N ATOM 973 CZ ARG A 61 -11.551 -0.076 -16.005 1.00 0.00 C ATOM 974 NH1 ARG A 61 -11.396 0.566 -14.880 1.00 0.00 N ATOM 975 NH2 ARG A 61 -10.664 0.044 -16.954 1.00 0.00 N ATOM 0 H ARG A 61 -10.583 -3.687 -13.575 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.318 -4.075 -12.588 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.091 -3.340 -15.279 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.804 -3.649 -15.075 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -13.800 -1.902 -13.191 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.154 -1.508 -13.645 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -14.528 -1.438 -15.566 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.890 -0.030 -14.741 1.00 0.00 H new ATOM 0 HE ARG A 61 -12.729 -1.347 -17.071 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.091 0.473 -14.140 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.579 1.161 -14.741 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.787 -0.457 -17.834 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.847 0.639 -16.816 1.00 0.00 H new ATOM 989 N LYS A 62 -13.944 -6.155 -14.046 1.00 0.00 N ATOM 990 CA LYS A 62 -14.173 -7.529 -14.480 1.00 0.00 C ATOM 991 C LYS A 62 -13.434 -7.811 -15.784 1.00 0.00 C ATOM 992 O LYS A 62 -12.848 -8.884 -15.966 1.00 0.00 O ATOM 993 CB LYS A 62 -15.668 -7.774 -14.673 1.00 0.00 C ATOM 994 CG LYS A 62 -16.252 -6.730 -15.645 1.00 0.00 C ATOM 995 CD LYS A 62 -17.759 -6.551 -15.380 1.00 0.00 C ATOM 996 CE LYS A 62 -17.979 -5.458 -14.322 1.00 0.00 C ATOM 997 NZ LYS A 62 -16.883 -5.486 -13.314 1.00 0.00 N ATOM 0 H LYS A 62 -14.791 -5.601 -13.918 1.00 0.00 H new ATOM 0 HA LYS A 62 -13.793 -8.200 -13.710 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -15.833 -8.778 -15.063 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -16.181 -7.716 -13.713 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -15.737 -5.777 -15.522 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -16.090 -7.049 -16.675 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -18.270 -6.282 -16.304 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -18.191 -7.492 -15.039 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -18.016 -4.480 -14.802 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -18.940 -5.608 -13.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -17.196 -5.003 -12.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -16.640 -6.473 -13.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -16.046 -5.001 -13.697 1.00 0.00 H new ATOM 1011 N LYS A 63 -13.464 -6.839 -16.691 1.00 0.00 N ATOM 1012 CA LYS A 63 -12.799 -6.983 -17.980 1.00 0.00 C ATOM 1013 C LYS A 63 -11.296 -7.156 -17.797 1.00 0.00 C ATOM 1014 O LYS A 63 -10.654 -7.915 -18.529 1.00 0.00 O ATOM 1015 CB LYS A 63 -13.088 -5.755 -18.852 1.00 0.00 C ATOM 1016 CG LYS A 63 -12.662 -4.481 -18.114 1.00 0.00 C ATOM 1017 CD LYS A 63 -12.890 -3.254 -19.009 1.00 0.00 C ATOM 1018 CE LYS A 63 -14.379 -2.901 -19.078 1.00 0.00 C ATOM 1019 NZ LYS A 63 -14.529 -1.525 -19.635 1.00 0.00 N ATOM 0 H LYS A 63 -13.940 -5.947 -16.557 1.00 0.00 H new ATOM 0 HA LYS A 63 -13.186 -7.874 -18.474 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -12.552 -5.835 -19.798 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -14.150 -5.709 -19.091 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -13.231 -4.378 -17.190 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.611 -4.547 -17.835 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -12.328 -2.405 -18.620 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.512 -3.454 -20.012 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -14.907 -3.620 -19.704 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -14.825 -2.955 -18.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -15.538 -1.279 -19.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -14.037 -0.846 -19.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -14.117 -1.490 -20.589 1.00 0.00 H new ATOM 1033 N ASP A 64 -10.737 -6.454 -16.817 1.00 0.00 N ATOM 1034 CA ASP A 64 -9.311 -6.544 -16.550 1.00 0.00 C ATOM 1035 C ASP A 64 -8.942 -7.959 -16.124 1.00 0.00 C ATOM 1036 O ASP A 64 -7.936 -8.508 -16.572 1.00 0.00 O ATOM 1037 CB ASP A 64 -8.930 -5.558 -15.449 1.00 0.00 C ATOM 1038 CG ASP A 64 -8.986 -4.130 -15.980 1.00 0.00 C ATOM 1039 OD1 ASP A 64 -9.038 -3.967 -17.188 1.00 0.00 O ATOM 1040 OD2 ASP A 64 -8.978 -3.219 -15.169 1.00 0.00 O ATOM 0 H ASP A 64 -11.247 -5.822 -16.200 1.00 0.00 H new ATOM 0 HA ASP A 64 -8.766 -6.298 -17.461 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -9.609 -5.666 -14.603 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.927 -5.779 -15.084 1.00 0.00 H new ATOM 1045 N LEU A 65 -9.768 -8.552 -15.264 1.00 0.00 N ATOM 1046 CA LEU A 65 -9.517 -9.913 -14.801 1.00 0.00 C ATOM 1047 C LEU A 65 -9.578 -10.880 -15.977 1.00 0.00 C ATOM 1048 O LEU A 65 -8.752 -11.785 -16.089 1.00 0.00 O ATOM 1049 CB LEU A 65 -10.552 -10.319 -13.732 1.00 0.00 C ATOM 1050 CG LEU A 65 -10.074 -9.898 -12.333 1.00 0.00 C ATOM 1051 CD1 LEU A 65 -10.021 -8.371 -12.235 1.00 0.00 C ATOM 1052 CD2 LEU A 65 -11.024 -10.451 -11.270 1.00 0.00 C ATOM 0 H LEU A 65 -10.606 -8.117 -14.878 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.523 -9.952 -14.355 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.512 -9.852 -13.951 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.709 -11.397 -13.760 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.075 -10.301 -12.165 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.681 -8.082 -11.240 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.329 -7.982 -12.982 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.015 -7.960 -12.413 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.679 -10.149 -10.281 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -12.027 -10.060 -11.440 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.044 -11.539 -11.330 1.00 0.00 H new ATOM 1064 N ALA A 66 -10.555 -10.683 -16.855 1.00 0.00 N ATOM 1065 CA ALA A 66 -10.689 -11.555 -18.012 1.00 0.00 C ATOM 1066 C ALA A 66 -9.411 -11.523 -18.845 1.00 0.00 C ATOM 1067 O ALA A 66 -8.852 -12.567 -19.181 1.00 0.00 O ATOM 1068 CB ALA A 66 -11.872 -11.106 -18.870 1.00 0.00 C ATOM 0 H ALA A 66 -11.253 -9.942 -16.790 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.863 -12.573 -17.664 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.965 -11.764 -19.734 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.787 -11.150 -18.280 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.708 -10.083 -19.209 1.00 0.00 H new ATOM 1074 N LEU A 67 -8.950 -10.320 -19.171 1.00 0.00 N ATOM 1075 CA LEU A 67 -7.732 -10.164 -19.957 1.00 0.00 C ATOM 1076 C LEU A 67 -6.503 -10.581 -19.151 1.00 0.00 C ATOM 1077 O LEU A 67 -5.589 -11.211 -19.679 1.00 0.00 O ATOM 1078 CB LEU A 67 -7.580 -8.711 -20.404 1.00 0.00 C ATOM 1079 CG LEU A 67 -8.706 -8.343 -21.380 1.00 0.00 C ATOM 1080 CD1 LEU A 67 -8.639 -6.842 -21.673 1.00 0.00 C ATOM 1081 CD2 LEU A 67 -8.558 -9.137 -22.695 1.00 0.00 C ATOM 0 H LEU A 67 -9.399 -9.443 -18.905 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.809 -10.809 -20.832 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.608 -8.050 -19.538 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.611 -8.568 -20.883 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.668 -8.592 -20.931 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.435 -6.571 -22.366 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.760 -6.284 -20.744 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.673 -6.601 -22.118 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.364 -8.865 -23.377 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.598 -8.903 -23.156 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.607 -10.205 -22.483 1.00 0.00 H new ATOM 1093 N LEU A 68 -6.484 -10.216 -17.871 1.00 0.00 N ATOM 1094 CA LEU A 68 -5.353 -10.550 -17.011 1.00 0.00 C ATOM 1095 C LEU A 68 -5.220 -12.062 -16.891 1.00 0.00 C ATOM 1096 O LEU A 68 -6.209 -12.764 -16.677 1.00 0.00 O ATOM 1097 CB LEU A 68 -5.559 -9.947 -15.618 1.00 0.00 C ATOM 1098 CG LEU A 68 -4.301 -10.141 -14.760 1.00 0.00 C ATOM 1099 CD1 LEU A 68 -3.134 -9.308 -15.323 1.00 0.00 C ATOM 1100 CD2 LEU A 68 -4.608 -9.703 -13.324 1.00 0.00 C ATOM 0 H LEU A 68 -7.230 -9.695 -17.411 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.444 -10.140 -17.452 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.788 -8.885 -15.705 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.414 -10.419 -15.133 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.012 -11.192 -14.774 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.249 -9.456 -14.704 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.920 -9.625 -16.344 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.406 -8.252 -15.320 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.721 -9.837 -12.705 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.899 -8.653 -13.318 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.423 -10.308 -12.925 1.00 0.00 H new ATOM 1112 N GLU A 69 -3.995 -12.564 -17.032 1.00 0.00 N ATOM 1113 CA GLU A 69 -3.764 -14.003 -16.937 1.00 0.00 C ATOM 1114 C GLU A 69 -3.586 -14.410 -15.480 1.00 0.00 C ATOM 1115 O GLU A 69 -2.600 -14.045 -14.834 1.00 0.00 O ATOM 1116 CB GLU A 69 -2.517 -14.389 -17.733 1.00 0.00 C ATOM 1117 CG GLU A 69 -2.743 -14.087 -19.215 1.00 0.00 C ATOM 1118 CD GLU A 69 -1.470 -14.373 -20.002 1.00 0.00 C ATOM 1119 OE1 GLU A 69 -0.509 -14.817 -19.394 1.00 0.00 O ATOM 1120 OE2 GLU A 69 -1.472 -14.142 -21.199 1.00 0.00 O ATOM 0 H GLU A 69 -3.160 -12.006 -17.210 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.628 -14.523 -17.351 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.653 -13.835 -17.366 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.299 -15.448 -17.596 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.562 -14.695 -19.598 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.033 -13.044 -19.343 1.00 0.00 H new ATOM 1127 N VAL A 70 -4.551 -15.171 -14.965 1.00 0.00 N ATOM 1128 CA VAL A 70 -4.508 -15.634 -13.577 1.00 0.00 C ATOM 1129 C VAL A 70 -4.811 -17.121 -13.499 1.00 0.00 C ATOM 1130 O VAL A 70 -5.410 -17.694 -14.410 1.00 0.00 O ATOM 1131 CB VAL A 70 -5.525 -14.865 -12.729 1.00 0.00 C ATOM 1132 CG1 VAL A 70 -5.085 -13.406 -12.577 1.00 0.00 C ATOM 1133 CG2 VAL A 70 -6.895 -14.918 -13.415 1.00 0.00 C ATOM 0 H VAL A 70 -5.371 -15.480 -15.487 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.504 -15.454 -13.191 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.588 -15.321 -11.741 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -5.814 -12.867 -11.972 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -4.111 -13.369 -12.089 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -5.016 -12.942 -13.561 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.623 -14.372 -12.816 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.825 -14.464 -14.403 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.212 -15.956 -13.515 1.00 0.00 H new ATOM 1143 N GLU A 71 -4.391 -17.747 -12.401 1.00 0.00 N ATOM 1144 CA GLU A 71 -4.619 -19.179 -12.203 1.00 0.00 C ATOM 1145 C GLU A 71 -4.923 -19.482 -10.741 1.00 0.00 C ATOM 1146 O GLU A 71 -4.330 -18.893 -9.838 1.00 0.00 O ATOM 1147 CB GLU A 71 -3.384 -19.974 -12.638 1.00 0.00 C ATOM 1148 CG GLU A 71 -3.223 -19.887 -14.158 1.00 0.00 C ATOM 1149 CD GLU A 71 -1.974 -20.642 -14.601 1.00 0.00 C ATOM 1150 OE1 GLU A 71 -1.303 -21.194 -13.745 1.00 0.00 O ATOM 1151 OE2 GLU A 71 -1.709 -20.660 -15.792 1.00 0.00 O ATOM 0 H GLU A 71 -3.893 -17.289 -11.638 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.476 -19.472 -12.810 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.495 -19.581 -12.145 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -3.484 -21.015 -12.332 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.102 -20.305 -14.648 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.153 -18.843 -14.464 1.00 0.00 H new ATOM 1158 N ALA A 72 -5.846 -20.410 -10.518 1.00 0.00 N ATOM 1159 CA ALA A 72 -6.221 -20.798 -9.164 1.00 0.00 C ATOM 1160 C ALA A 72 -5.108 -21.621 -8.526 1.00 0.00 C ATOM 1161 O ALA A 72 -4.365 -22.314 -9.221 1.00 0.00 O ATOM 1162 CB ALA A 72 -7.511 -21.617 -9.188 1.00 0.00 C ATOM 0 H ALA A 72 -6.347 -20.906 -11.255 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.381 -19.894 -8.577 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.781 -21.901 -8.171 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.313 -21.020 -9.623 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.361 -22.515 -9.787 1.00 0.00 H new ATOM 1168 N VAL A 73 -4.994 -21.539 -7.201 1.00 0.00 N ATOM 1169 CA VAL A 73 -3.961 -22.283 -6.473 1.00 0.00 C ATOM 1170 C VAL A 73 -4.606 -23.274 -5.510 1.00 0.00 C ATOM 1171 O VAL A 73 -5.497 -22.916 -4.742 1.00 0.00 O ATOM 1172 CB VAL A 73 -3.085 -21.312 -5.682 1.00 0.00 C ATOM 1173 CG1 VAL A 73 -1.950 -22.079 -4.999 1.00 0.00 C ATOM 1174 CG2 VAL A 73 -2.496 -20.275 -6.634 1.00 0.00 C ATOM 0 H VAL A 73 -5.599 -20.969 -6.610 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.350 -22.827 -7.193 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.689 -20.814 -4.924 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.328 -21.383 -4.436 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.370 -22.821 -4.320 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.343 -22.579 -5.754 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.870 -19.580 -6.073 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.893 -20.777 -7.391 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.303 -19.726 -7.119 1.00 0.00 H new ATOM 1184 N SER A 74 -4.147 -24.524 -5.556 1.00 0.00 N ATOM 1185 CA SER A 74 -4.679 -25.575 -4.684 1.00 0.00 C ATOM 1186 C SER A 74 -3.580 -26.131 -3.783 1.00 0.00 C ATOM 1187 O SER A 74 -3.814 -27.049 -2.998 1.00 0.00 O ATOM 1188 CB SER A 74 -5.264 -26.703 -5.530 1.00 0.00 C ATOM 1189 OG SER A 74 -4.219 -27.336 -6.256 1.00 0.00 O ATOM 0 H SER A 74 -3.408 -24.835 -6.187 1.00 0.00 H new ATOM 0 HA SER A 74 -5.461 -25.143 -4.060 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.769 -27.428 -4.891 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.012 -26.307 -6.217 1.00 0.00 H new ATOM 0 HG SER A 74 -4.591 -28.062 -6.799 1.00 0.00 H new ATOM 1195 N SER A 75 -2.380 -25.567 -3.902 1.00 0.00 N ATOM 1196 CA SER A 75 -1.248 -26.013 -3.093 1.00 0.00 C ATOM 1197 C SER A 75 -0.249 -24.877 -2.903 1.00 0.00 C ATOM 1198 O SER A 75 -0.287 -23.876 -3.619 1.00 0.00 O ATOM 1199 CB SER A 75 -0.554 -27.193 -3.772 1.00 0.00 C ATOM 1200 OG SER A 75 -1.481 -28.260 -3.919 1.00 0.00 O ATOM 0 H SER A 75 -2.167 -24.805 -4.546 1.00 0.00 H new ATOM 0 HA SER A 75 -1.622 -26.324 -2.117 1.00 0.00 H new ATOM 0 HB2 SER A 75 -0.170 -26.892 -4.747 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.301 -27.518 -3.179 1.00 0.00 H new ATOM 0 HG SER A 75 -1.040 -29.019 -4.356 1.00 0.00 H new ATOM 1206 N LEU A 76 0.646 -25.037 -1.931 1.00 0.00 N ATOM 1207 CA LEU A 76 1.647 -24.015 -1.658 1.00 0.00 C ATOM 1208 C LEU A 76 2.537 -23.807 -2.878 1.00 0.00 C ATOM 1209 O LEU A 76 2.301 -22.908 -3.685 1.00 0.00 O ATOM 1210 CB LEU A 76 2.509 -24.433 -0.458 1.00 0.00 C ATOM 1211 CG LEU A 76 3.589 -23.374 -0.174 1.00 0.00 C ATOM 1212 CD1 LEU A 76 2.936 -22.006 0.097 1.00 0.00 C ATOM 1213 CD2 LEU A 76 4.408 -23.810 1.045 1.00 0.00 C ATOM 0 H LEU A 76 0.697 -25.857 -1.326 1.00 0.00 H new ATOM 0 HA LEU A 76 1.136 -23.080 -1.428 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.879 -24.563 0.422 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.979 -25.396 -0.659 1.00 0.00 H new ATOM 0 HG LEU A 76 4.241 -23.281 -1.042 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.711 -21.266 0.296 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.358 -21.700 -0.775 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.276 -22.083 0.961 1.00 0.00 H new ATOM 0 HD21 LEU A 76 5.176 -23.065 1.253 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.751 -23.905 1.910 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.881 -24.771 0.841 1.00 0.00 H new ATOM 1225 N GLU A 77 3.565 -24.641 -3.002 1.00 0.00 N ATOM 1226 CA GLU A 77 4.486 -24.534 -4.125 1.00 0.00 C ATOM 1227 C GLU A 77 5.322 -25.804 -4.253 1.00 0.00 C ATOM 1228 O GLU A 77 5.121 -26.601 -5.170 1.00 0.00 O ATOM 1229 CB GLU A 77 5.406 -23.329 -3.924 1.00 0.00 C ATOM 1230 CG GLU A 77 6.263 -23.127 -5.174 1.00 0.00 C ATOM 1231 CD GLU A 77 7.131 -21.884 -5.018 1.00 0.00 C ATOM 1232 OE1 GLU A 77 8.146 -21.974 -4.348 1.00 0.00 O ATOM 1233 OE2 GLU A 77 6.766 -20.860 -5.570 1.00 0.00 O ATOM 0 H GLU A 77 3.779 -25.391 -2.345 1.00 0.00 H new ATOM 0 HA GLU A 77 3.908 -24.402 -5.040 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.814 -22.435 -3.728 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.044 -23.486 -3.054 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.893 -24.002 -5.338 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.623 -23.026 -6.051 1.00 0.00 H new ATOM 1240 N HIS A 78 6.260 -25.987 -3.326 1.00 0.00 N ATOM 1241 CA HIS A 78 7.126 -27.165 -3.342 1.00 0.00 C ATOM 1242 C HIS A 78 7.564 -27.520 -1.924 1.00 0.00 C ATOM 1243 O HIS A 78 7.419 -26.720 -1.001 1.00 0.00 O ATOM 1244 CB HIS A 78 8.360 -26.896 -4.205 1.00 0.00 C ATOM 1245 CG HIS A 78 9.189 -25.812 -3.572 1.00 0.00 C ATOM 1246 ND1 HIS A 78 8.785 -24.487 -3.550 1.00 0.00 N ATOM 1247 CD2 HIS A 78 10.406 -25.844 -2.936 1.00 0.00 C ATOM 1248 CE1 HIS A 78 9.742 -23.782 -2.918 1.00 0.00 C ATOM 1249 NE2 HIS A 78 10.752 -24.561 -2.524 1.00 0.00 N ATOM 0 H HIS A 78 6.440 -25.339 -2.559 1.00 0.00 H new ATOM 0 HA HIS A 78 6.566 -28.001 -3.762 1.00 0.00 H new ATOM 0 HB2 HIS A 78 8.950 -27.807 -4.308 1.00 0.00 H new ATOM 0 HB3 HIS A 78 8.057 -26.597 -5.209 1.00 0.00 H new ATOM 0 HD2 HIS A 78 11.003 -26.730 -2.780 1.00 0.00 H new ATOM 0 HE1 HIS A 78 9.698 -22.716 -2.750 1.00 0.00 H new ATOM 0 HE2 HIS A 78 11.596 -24.277 -2.027 1.00 0.00 H new ATOM 1257 N HIS A 79 8.105 -28.726 -1.758 1.00 0.00 N ATOM 1258 CA HIS A 79 8.568 -29.190 -0.447 1.00 0.00 C ATOM 1259 C HIS A 79 10.088 -29.303 -0.432 1.00 0.00 C ATOM 1260 O HIS A 79 10.695 -29.764 -1.399 1.00 0.00 O ATOM 1261 CB HIS A 79 7.952 -30.554 -0.133 1.00 0.00 C ATOM 1262 CG HIS A 79 6.456 -30.418 -0.053 1.00 0.00 C ATOM 1263 ND1 HIS A 79 5.826 -29.794 1.012 1.00 0.00 N ATOM 1264 CD2 HIS A 79 5.453 -30.816 -0.902 1.00 0.00 C ATOM 1265 CE1 HIS A 79 4.502 -29.834 0.780 1.00 0.00 C ATOM 1266 NE2 HIS A 79 4.220 -30.447 -0.373 1.00 0.00 N ATOM 0 H HIS A 79 8.234 -29.400 -2.513 1.00 0.00 H new ATOM 0 HA HIS A 79 8.258 -28.468 0.308 1.00 0.00 H new ATOM 0 HB2 HIS A 79 8.222 -31.274 -0.905 1.00 0.00 H new ATOM 0 HB3 HIS A 79 8.345 -30.935 0.810 1.00 0.00 H new ATOM 0 HD2 HIS A 79 5.599 -31.336 -1.837 1.00 0.00 H new ATOM 0 HE1 HIS A 79 3.758 -29.421 1.445 1.00 0.00 H new ATOM 0 HE2 HIS A 79 3.298 -30.610 -0.779 1.00 0.00 H new ATOM 1274 N HIS A 80 10.698 -28.876 0.670 1.00 0.00 N ATOM 1275 CA HIS A 80 12.150 -28.931 0.796 1.00 0.00 C ATOM 1276 C HIS A 80 12.603 -30.346 1.142 1.00 0.00 C ATOM 1277 O HIS A 80 12.163 -30.924 2.136 1.00 0.00 O ATOM 1278 CB HIS A 80 12.612 -27.964 1.887 1.00 0.00 C ATOM 1279 CG HIS A 80 12.251 -26.557 1.497 1.00 0.00 C ATOM 1280 ND1 HIS A 80 11.386 -25.645 2.048 1.00 0.00 N flip ATOM 1281 CD2 HIS A 80 12.816 -25.926 0.400 1.00 0.00 C flip ATOM 1282 CE1 HIS A 80 11.411 -24.468 1.308 1.00 0.00 C flip ATOM 1283 NE2 HIS A 80 12.289 -24.690 0.326 1.00 0.00 N flip ATOM 0 H HIS A 80 10.214 -28.491 1.482 1.00 0.00 H new ATOM 0 HA HIS A 80 12.593 -28.643 -0.158 1.00 0.00 H new ATOM 0 HB2 HIS A 80 12.144 -28.221 2.837 1.00 0.00 H new ATOM 0 HB3 HIS A 80 13.689 -28.048 2.030 1.00 0.00 H new ATOM 0 HD1 HIS A 80 10.812 -25.806 2.875 1.00 0.00 H new ATOM 0 HD2 HIS A 80 13.547 -26.349 -0.273 1.00 0.00 H new ATOM 0 HE1 HIS A 80 10.843 -23.568 1.488 1.00 0.00 H new ATOM 1291 N HIS A 81 13.486 -30.895 0.316 1.00 0.00 N ATOM 1292 CA HIS A 81 13.994 -32.243 0.541 1.00 0.00 C ATOM 1293 C HIS A 81 14.829 -32.292 1.817 1.00 0.00 C ATOM 1294 O HIS A 81 14.693 -33.211 2.625 1.00 0.00 O ATOM 1295 CB HIS A 81 14.849 -32.684 -0.649 1.00 0.00 C ATOM 1296 CG HIS A 81 15.879 -31.629 -0.948 1.00 0.00 C ATOM 1297 ND1 HIS A 81 15.628 -30.277 -0.769 1.00 0.00 N ATOM 1298 CD2 HIS A 81 17.167 -31.710 -1.419 1.00 0.00 C ATOM 1299 CE1 HIS A 81 16.738 -29.607 -1.127 1.00 0.00 C ATOM 1300 NE2 HIS A 81 17.707 -30.432 -1.532 1.00 0.00 N ATOM 0 H HIS A 81 13.863 -30.431 -0.510 1.00 0.00 H new ATOM 0 HA HIS A 81 13.146 -32.919 0.648 1.00 0.00 H new ATOM 0 HB2 HIS A 81 15.339 -33.632 -0.427 1.00 0.00 H new ATOM 0 HB3 HIS A 81 14.218 -32.848 -1.522 1.00 0.00 H new ATOM 0 HD2 HIS A 81 17.683 -32.627 -1.664 1.00 0.00 H new ATOM 0 HE1 HIS A 81 16.834 -28.532 -1.091 1.00 0.00 H new ATOM 0 HE2 HIS A 81 18.641 -30.180 -1.855 1.00 0.00 H new ATOM 1308 N HIS A 82 15.694 -31.295 1.992 1.00 0.00 N ATOM 1309 CA HIS A 82 16.552 -31.227 3.174 1.00 0.00 C ATOM 1310 C HIS A 82 16.799 -29.777 3.575 1.00 0.00 C ATOM 1311 O HIS A 82 16.859 -28.888 2.725 1.00 0.00 O ATOM 1312 CB HIS A 82 17.888 -31.916 2.888 1.00 0.00 C ATOM 1313 CG HIS A 82 17.653 -33.379 2.636 1.00 0.00 C ATOM 1314 ND1 HIS A 82 17.451 -34.283 3.667 1.00 0.00 N ATOM 1315 CD2 HIS A 82 17.581 -34.112 1.476 1.00 0.00 C ATOM 1316 CE1 HIS A 82 17.269 -35.496 3.115 1.00 0.00 C ATOM 1317 NE2 HIS A 82 17.339 -35.448 1.782 1.00 0.00 N ATOM 0 H HIS A 82 15.819 -30.526 1.334 1.00 0.00 H new ATOM 0 HA HIS A 82 16.049 -31.737 3.996 1.00 0.00 H new ATOM 0 HB2 HIS A 82 18.367 -31.459 2.022 1.00 0.00 H new ATOM 0 HB3 HIS A 82 18.565 -31.786 3.732 1.00 0.00 H new ATOM 0 HD2 HIS A 82 17.695 -33.712 0.479 1.00 0.00 H new ATOM 0 HE1 HIS A 82 17.088 -36.398 3.680 1.00 0.00 H new ATOM 0 HE2 HIS A 82 17.237 -36.224 1.128 1.00 0.00 H new ATOM 1325 N HIS A 83 16.943 -29.544 4.876 1.00 0.00 N ATOM 1326 CA HIS A 83 17.185 -28.198 5.380 1.00 0.00 C ATOM 1327 C HIS A 83 18.477 -27.632 4.800 1.00 0.00 C ATOM 1328 O HIS A 83 19.408 -28.399 4.619 1.00 0.00 O ATOM 1329 CB HIS A 83 17.277 -28.223 6.908 1.00 0.00 C ATOM 1330 CG HIS A 83 15.972 -28.703 7.482 1.00 0.00 C ATOM 1331 ND1 HIS A 83 14.855 -27.888 7.563 1.00 0.00 N ATOM 1332 CD2 HIS A 83 15.591 -29.915 8.005 1.00 0.00 C ATOM 1333 CE1 HIS A 83 13.864 -28.611 8.117 1.00 0.00 C ATOM 1334 NE2 HIS A 83 14.259 -29.853 8.405 1.00 0.00 N ATOM 1335 OXT HIS A 83 18.517 -26.440 4.547 1.00 0.00 O ATOM 0 H HIS A 83 16.897 -30.265 5.596 1.00 0.00 H new ATOM 0 HA HIS A 83 16.355 -27.561 5.075 1.00 0.00 H new ATOM 0 HB2 HIS A 83 18.088 -28.879 7.223 1.00 0.00 H new ATOM 0 HB3 HIS A 83 17.508 -27.227 7.285 1.00 0.00 H new ATOM 0 HD2 HIS A 83 16.228 -30.783 8.092 1.00 0.00 H new ATOM 0 HE1 HIS A 83 12.870 -28.232 8.306 1.00 0.00 H new ATOM 0 HE2 HIS A 83 13.704 -30.597 8.828 1.00 0.00 H new TER 1343 HIS A 83