USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=20 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 35 SER OG : rot 80:sc= 0.653 USER MOD Set 1.2: A 78 HIS : no HD1:sc= 0.0237 X(o=0.68,f=0.62) USER MOD Single : A 1 MET CE :methyl -118:sc= -0.0053 (180deg=-0.24) USER MOD Single : A 1 MET N :NH3+ -164:sc=-0.00551 (180deg=-0.271) USER MOD Single : A 2 GLN : amide:sc= 0.5 K(o=0.5,f=-0.0071) USER MOD Single : A 3 TYR OH : rot -14:sc= -0.128 USER MOD Single : A 4 THR OG1 : rot 140:sc= -0.427 USER MOD Single : A 7 THR OG1 : rot -111:sc= 1.43 USER MOD Single : A 10 LYS NZ :NH3+ -165:sc= -0.0105 (180deg=-0.233) USER MOD Single : A 12 THR OG1 : rot 78:sc= -0.119 USER MOD Single : A 15 SER OG : rot 103:sc= 0.718 USER MOD Single : A 19 SER OG : rot 180:sc= -0.223 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 25 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.231) USER MOD Single : A 28 SER OG : rot 52:sc= 0.943 USER MOD Single : A 31 MET CE :methyl -148:sc= -1.51! (180deg=-1.91!) USER MOD Single : A 36 SER OG : rot -160:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -1.81! C(o=-1.8!,f=-11!) USER MOD Single : A 50 HIS :FLIP no HD1:sc= -0.307 F(o=-1.4,f=-0.31) USER MOD Single : A 53 THR OG1 : rot -89:sc= 1.65 USER MOD Single : A 57 SER OG : rot 180:sc= -0.29 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.0081) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.0043) USER MOD Single : A 83 HIS : no HD1:sc= -0.196 X(o=-0.2,f=-0.065) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.313 -18.303 -11.459 1.00 0.00 N ATOM 2 CA MET A 1 -19.611 -17.000 -11.636 1.00 0.00 C ATOM 3 C MET A 1 -18.119 -17.187 -11.380 1.00 0.00 C ATOM 4 O MET A 1 -17.721 -17.800 -10.390 1.00 0.00 O ATOM 5 CB MET A 1 -20.186 -15.976 -10.653 1.00 0.00 C ATOM 6 CG MET A 1 -21.613 -15.612 -11.072 1.00 0.00 C ATOM 7 SD MET A 1 -22.286 -14.369 -9.936 1.00 0.00 S ATOM 8 CE MET A 1 -22.677 -15.475 -8.556 1.00 0.00 C ATOM 0 H1 MET A 1 -21.259 -18.248 -11.887 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.767 -19.057 -11.922 1.00 0.00 H new ATOM 0 H3 MET A 1 -20.403 -18.514 -10.445 1.00 0.00 H new ATOM 0 HA MET A 1 -19.756 -16.640 -12.655 1.00 0.00 H new ATOM 0 HB2 MET A 1 -20.185 -16.386 -9.643 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.562 -15.083 -10.635 1.00 0.00 H new ATOM 0 HG2 MET A 1 -21.616 -15.226 -12.091 1.00 0.00 H new ATOM 0 HG3 MET A 1 -22.242 -16.502 -11.066 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.751 -15.457 -8.368 1.00 0.00 H new ATOM 0 HE2 MET A 1 -22.369 -16.490 -8.805 1.00 0.00 H new ATOM 0 HE3 MET A 1 -22.147 -15.144 -7.663 1.00 0.00 H new ATOM 20 N GLN A 2 -17.300 -16.655 -12.282 1.00 0.00 N ATOM 21 CA GLN A 2 -15.853 -16.769 -12.144 1.00 0.00 C ATOM 22 C GLN A 2 -15.375 -16.034 -10.899 1.00 0.00 C ATOM 23 O GLN A 2 -14.544 -16.541 -10.151 1.00 0.00 O ATOM 24 CB GLN A 2 -15.161 -16.181 -13.377 1.00 0.00 C ATOM 25 CG GLN A 2 -13.644 -16.372 -13.263 1.00 0.00 C ATOM 26 CD GLN A 2 -12.950 -15.744 -14.462 1.00 0.00 C ATOM 27 OE1 GLN A 2 -13.260 -16.073 -15.608 1.00 0.00 O ATOM 28 NE2 GLN A 2 -12.028 -14.846 -14.260 1.00 0.00 N ATOM 0 H GLN A 2 -17.610 -16.145 -13.109 1.00 0.00 H new ATOM 0 HA GLN A 2 -15.600 -17.825 -12.052 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -15.531 -16.668 -14.279 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -15.397 -15.121 -13.467 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -13.280 -15.917 -12.342 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -13.406 -17.434 -13.209 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -11.776 -14.578 -13.308 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.558 -14.410 -15.053 1.00 0.00 H new ATOM 37 N TYR A 3 -15.899 -14.837 -10.687 1.00 0.00 N ATOM 38 CA TYR A 3 -15.505 -14.041 -9.533 1.00 0.00 C ATOM 39 C TYR A 3 -16.046 -14.669 -8.257 1.00 0.00 C ATOM 40 O TYR A 3 -17.190 -15.121 -8.216 1.00 0.00 O ATOM 41 CB TYR A 3 -16.037 -12.614 -9.674 1.00 0.00 C ATOM 42 CG TYR A 3 -15.470 -11.992 -10.928 1.00 0.00 C ATOM 43 CD1 TYR A 3 -14.154 -11.516 -10.942 1.00 0.00 C ATOM 44 CD2 TYR A 3 -16.262 -11.893 -12.079 1.00 0.00 C ATOM 45 CE1 TYR A 3 -13.631 -10.944 -12.107 1.00 0.00 C ATOM 46 CE2 TYR A 3 -15.738 -11.320 -13.242 1.00 0.00 C ATOM 47 CZ TYR A 3 -14.423 -10.845 -13.257 1.00 0.00 C ATOM 48 OH TYR A 3 -13.906 -10.281 -14.405 1.00 0.00 O ATOM 0 H TYR A 3 -16.592 -14.397 -11.292 1.00 0.00 H new ATOM 0 HA TYR A 3 -14.417 -14.012 -9.482 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -17.126 -12.622 -9.719 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -15.758 -12.022 -8.802 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -13.543 -11.590 -10.055 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -17.278 -12.259 -12.068 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -12.615 -10.578 -12.119 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -16.349 -11.244 -14.129 1.00 0.00 H new ATOM 0 HH TYR A 3 -13.075 -9.807 -14.191 1.00 0.00 H new ATOM 58 N THR A 4 -15.215 -14.706 -7.220 1.00 0.00 N ATOM 59 CA THR A 4 -15.619 -15.299 -5.942 1.00 0.00 C ATOM 60 C THR A 4 -15.088 -14.454 -4.778 1.00 0.00 C ATOM 61 O THR A 4 -14.114 -13.718 -4.930 1.00 0.00 O ATOM 62 CB THR A 4 -15.082 -16.750 -5.836 1.00 0.00 C ATOM 63 OG1 THR A 4 -14.129 -16.840 -4.785 1.00 0.00 O ATOM 64 CG2 THR A 4 -14.413 -17.167 -7.153 1.00 0.00 C ATOM 0 H THR A 4 -14.264 -14.337 -7.235 1.00 0.00 H new ATOM 0 HA THR A 4 -16.708 -15.322 -5.892 1.00 0.00 H new ATOM 0 HB THR A 4 -15.922 -17.414 -5.629 1.00 0.00 H new ATOM 0 HG1 THR A 4 -14.257 -17.681 -4.299 1.00 0.00 H new ATOM 0 HG21 THR A 4 -14.041 -18.188 -7.065 1.00 0.00 H new ATOM 0 HG22 THR A 4 -15.140 -17.115 -7.963 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.582 -16.495 -7.368 1.00 0.00 H new ATOM 72 N PRO A 5 -15.710 -14.548 -3.627 1.00 0.00 N ATOM 73 CA PRO A 5 -15.293 -13.773 -2.417 1.00 0.00 C ATOM 74 C PRO A 5 -13.937 -14.227 -1.880 1.00 0.00 C ATOM 75 O PRO A 5 -13.053 -13.407 -1.637 1.00 0.00 O ATOM 76 CB PRO A 5 -16.420 -14.047 -1.403 1.00 0.00 C ATOM 77 CG PRO A 5 -17.008 -15.355 -1.828 1.00 0.00 C ATOM 78 CD PRO A 5 -16.875 -15.404 -3.350 1.00 0.00 C ATOM 0 HA PRO A 5 -15.162 -12.712 -2.632 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -16.032 -14.100 -0.386 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -17.167 -13.254 -1.419 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -16.481 -16.189 -1.364 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -18.052 -15.430 -1.525 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -16.717 -16.422 -3.705 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -17.773 -15.030 -3.843 1.00 0.00 H new ATOM 86 N ASP A 6 -13.783 -15.538 -1.691 1.00 0.00 N ATOM 87 CA ASP A 6 -12.532 -16.097 -1.172 1.00 0.00 C ATOM 88 C ASP A 6 -12.037 -17.234 -2.060 1.00 0.00 C ATOM 89 O ASP A 6 -12.478 -18.375 -1.929 1.00 0.00 O ATOM 90 CB ASP A 6 -12.750 -16.623 0.247 1.00 0.00 C ATOM 91 CG ASP A 6 -11.438 -17.151 0.818 1.00 0.00 C ATOM 92 OD1 ASP A 6 -10.472 -17.211 0.074 1.00 0.00 O ATOM 93 OD2 ASP A 6 -11.417 -17.488 1.991 1.00 0.00 O ATOM 0 H ASP A 6 -14.505 -16.231 -1.888 1.00 0.00 H new ATOM 0 HA ASP A 6 -11.782 -15.306 -1.163 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -13.138 -15.827 0.883 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -13.497 -17.417 0.238 1.00 0.00 H new ATOM 98 N THR A 7 -11.107 -16.911 -2.954 1.00 0.00 N ATOM 99 CA THR A 7 -10.534 -17.906 -3.864 1.00 0.00 C ATOM 100 C THR A 7 -9.035 -17.685 -4.011 1.00 0.00 C ATOM 101 O THR A 7 -8.551 -16.562 -3.888 1.00 0.00 O ATOM 102 CB THR A 7 -11.196 -17.803 -5.243 1.00 0.00 C ATOM 103 OG1 THR A 7 -10.478 -18.599 -6.175 1.00 0.00 O ATOM 104 CG2 THR A 7 -11.201 -16.344 -5.705 1.00 0.00 C ATOM 0 H THR A 7 -10.732 -15.969 -3.070 1.00 0.00 H new ATOM 0 HA THR A 7 -10.714 -18.897 -3.447 1.00 0.00 H new ATOM 0 HB THR A 7 -12.223 -18.161 -5.179 1.00 0.00 H new ATOM 0 HG1 THR A 7 -10.025 -18.018 -6.821 1.00 0.00 H new ATOM 0 HG21 THR A 7 -11.672 -16.274 -6.685 1.00 0.00 H new ATOM 0 HG22 THR A 7 -11.758 -15.738 -4.991 1.00 0.00 H new ATOM 0 HG23 THR A 7 -10.176 -15.979 -5.768 1.00 0.00 H new ATOM 112 N ALA A 8 -8.306 -18.762 -4.292 1.00 0.00 N ATOM 113 CA ALA A 8 -6.852 -18.677 -4.477 1.00 0.00 C ATOM 114 C ALA A 8 -6.529 -18.701 -5.962 1.00 0.00 C ATOM 115 O ALA A 8 -6.575 -19.755 -6.597 1.00 0.00 O ATOM 116 CB ALA A 8 -6.168 -19.861 -3.785 1.00 0.00 C ATOM 0 H ALA A 8 -8.691 -19.701 -4.397 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.488 -17.748 -4.038 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.089 -19.791 -3.926 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.396 -19.841 -2.719 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.531 -20.794 -4.216 1.00 0.00 H new ATOM 122 N TRP A 9 -6.219 -17.533 -6.521 1.00 0.00 N ATOM 123 CA TRP A 9 -5.909 -17.433 -7.949 1.00 0.00 C ATOM 124 C TRP A 9 -4.400 -17.392 -8.157 1.00 0.00 C ATOM 125 O TRP A 9 -3.687 -16.656 -7.473 1.00 0.00 O ATOM 126 CB TRP A 9 -6.544 -16.162 -8.541 1.00 0.00 C ATOM 127 CG TRP A 9 -8.016 -16.363 -8.764 1.00 0.00 C ATOM 128 CD1 TRP A 9 -8.775 -17.319 -8.176 1.00 0.00 C ATOM 129 CD2 TRP A 9 -8.920 -15.608 -9.627 1.00 0.00 C ATOM 130 NE1 TRP A 9 -10.078 -17.190 -8.610 1.00 0.00 N ATOM 131 CE2 TRP A 9 -10.219 -16.151 -9.503 1.00 0.00 C ATOM 132 CE3 TRP A 9 -8.744 -14.511 -10.492 1.00 0.00 C ATOM 133 CZ2 TRP A 9 -11.301 -15.630 -10.207 1.00 0.00 C ATOM 134 CZ3 TRP A 9 -9.833 -13.983 -11.206 1.00 0.00 C ATOM 135 CH2 TRP A 9 -11.110 -14.541 -11.061 1.00 0.00 C ATOM 0 H TRP A 9 -6.175 -16.649 -6.014 1.00 0.00 H new ATOM 0 HA TRP A 9 -6.317 -18.308 -8.455 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -6.384 -15.321 -7.867 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -6.058 -15.911 -9.484 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -8.417 -18.063 -7.479 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -10.844 -17.791 -8.306 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -7.764 -14.072 -10.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -12.283 -16.065 -10.094 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -9.685 -13.144 -11.869 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -11.945 -14.130 -11.609 1.00 0.00 H new ATOM 146 N LYS A 10 -3.922 -18.185 -9.111 1.00 0.00 N ATOM 147 CA LYS A 10 -2.496 -18.237 -9.416 1.00 0.00 C ATOM 148 C LYS A 10 -2.164 -17.244 -10.518 1.00 0.00 C ATOM 149 O LYS A 10 -2.869 -17.167 -11.522 1.00 0.00 O ATOM 150 CB LYS A 10 -2.106 -19.643 -9.858 1.00 0.00 C ATOM 151 CG LYS A 10 -0.594 -19.704 -10.076 1.00 0.00 C ATOM 152 CD LYS A 10 -0.188 -21.140 -10.400 1.00 0.00 C ATOM 153 CE LYS A 10 1.326 -21.209 -10.586 1.00 0.00 C ATOM 154 NZ LYS A 10 1.706 -20.508 -11.845 1.00 0.00 N ATOM 0 H LYS A 10 -4.500 -18.799 -9.685 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.935 -17.977 -8.518 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.406 -20.370 -9.103 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.628 -19.905 -10.778 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.305 -19.040 -10.891 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.072 -19.359 -9.183 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.497 -21.807 -9.596 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.693 -21.477 -11.306 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.829 -20.749 -9.735 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.651 -22.249 -10.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.679 -20.765 -12.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.058 -20.789 -12.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.647 -19.480 -11.701 1.00 0.00 H new ATOM 168 N ILE A 11 -1.098 -16.477 -10.314 1.00 0.00 N ATOM 169 CA ILE A 11 -0.686 -15.474 -11.290 1.00 0.00 C ATOM 170 C ILE A 11 0.196 -16.109 -12.362 1.00 0.00 C ATOM 171 O ILE A 11 1.228 -16.702 -12.052 1.00 0.00 O ATOM 172 CB ILE A 11 0.101 -14.362 -10.587 1.00 0.00 C ATOM 173 CG1 ILE A 11 -0.660 -13.876 -9.351 1.00 0.00 C ATOM 174 CG2 ILE A 11 0.267 -13.181 -11.543 1.00 0.00 C ATOM 175 CD1 ILE A 11 0.241 -12.940 -8.539 1.00 0.00 C ATOM 0 H ILE A 11 -0.506 -16.530 -9.485 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.577 -15.057 -11.759 1.00 0.00 H new ATOM 0 HB ILE A 11 1.073 -14.755 -10.289 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.569 -13.355 -9.651 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.966 -14.726 -8.740 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.826 -12.387 -11.047 1.00 0.00 H new ATOM 0 HG22 ILE A 11 0.808 -13.506 -12.432 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.715 -12.807 -11.833 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.297 -12.591 -7.658 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.137 -13.477 -8.228 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.525 -12.085 -9.153 1.00 0.00 H new ATOM 187 N THR A 12 -0.210 -15.977 -13.626 1.00 0.00 N ATOM 188 CA THR A 12 0.561 -16.539 -14.740 1.00 0.00 C ATOM 189 C THR A 12 1.275 -15.431 -15.511 1.00 0.00 C ATOM 190 O THR A 12 2.466 -15.532 -15.804 1.00 0.00 O ATOM 191 CB THR A 12 -0.373 -17.300 -15.680 1.00 0.00 C ATOM 192 OG1 THR A 12 -0.985 -18.368 -14.971 1.00 0.00 O ATOM 193 CG2 THR A 12 0.424 -17.857 -16.860 1.00 0.00 C ATOM 0 H THR A 12 -1.062 -15.490 -13.904 1.00 0.00 H new ATOM 0 HA THR A 12 1.309 -17.222 -14.337 1.00 0.00 H new ATOM 0 HB THR A 12 -1.141 -16.623 -16.055 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.715 -18.018 -14.419 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.246 -18.399 -17.528 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.892 -17.036 -17.403 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.195 -18.534 -16.491 1.00 0.00 H new ATOM 201 N GLY A 13 0.536 -14.373 -15.837 1.00 0.00 N ATOM 202 CA GLY A 13 1.108 -13.250 -16.576 1.00 0.00 C ATOM 203 C GLY A 13 0.016 -12.356 -17.148 1.00 0.00 C ATOM 204 O GLY A 13 -1.164 -12.701 -17.113 1.00 0.00 O ATOM 0 H GLY A 13 -0.452 -14.270 -15.604 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.751 -12.667 -15.917 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.736 -13.625 -17.384 1.00 0.00 H new ATOM 208 N PHE A 14 0.419 -11.205 -17.674 1.00 0.00 N ATOM 209 CA PHE A 14 -0.533 -10.262 -18.254 1.00 0.00 C ATOM 210 C PHE A 14 -0.734 -10.554 -19.741 1.00 0.00 C ATOM 211 O PHE A 14 0.194 -10.968 -20.434 1.00 0.00 O ATOM 212 CB PHE A 14 -0.025 -8.828 -18.068 1.00 0.00 C ATOM 213 CG PHE A 14 1.478 -8.807 -18.169 1.00 0.00 C ATOM 214 CD1 PHE A 14 2.258 -9.097 -17.044 1.00 0.00 C ATOM 215 CD2 PHE A 14 2.089 -8.494 -19.385 1.00 0.00 C ATOM 216 CE1 PHE A 14 3.654 -9.073 -17.137 1.00 0.00 C ATOM 217 CE2 PHE A 14 3.485 -8.467 -19.480 1.00 0.00 C ATOM 218 CZ PHE A 14 4.269 -8.756 -18.355 1.00 0.00 C ATOM 0 H PHE A 14 1.392 -10.902 -17.711 1.00 0.00 H new ATOM 0 HA PHE A 14 -1.490 -10.373 -17.744 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.460 -8.176 -18.826 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.340 -8.443 -17.098 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.783 -9.339 -16.105 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.484 -8.273 -20.252 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.257 -9.299 -16.270 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.958 -8.224 -20.420 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.346 -8.734 -18.427 1.00 0.00 H new ATOM 228 N SER A 15 -1.953 -10.327 -20.222 1.00 0.00 N ATOM 229 CA SER A 15 -2.269 -10.560 -21.628 1.00 0.00 C ATOM 230 C SER A 15 -1.670 -9.460 -22.501 1.00 0.00 C ATOM 231 O SER A 15 -1.182 -8.452 -21.999 1.00 0.00 O ATOM 232 CB SER A 15 -3.786 -10.615 -21.820 1.00 0.00 C ATOM 233 OG SER A 15 -4.248 -11.923 -21.505 1.00 0.00 O ATOM 0 H SER A 15 -2.734 -9.984 -19.663 1.00 0.00 H new ATOM 0 HA SER A 15 -1.836 -11.514 -21.929 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.273 -9.880 -21.179 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.044 -10.363 -22.848 1.00 0.00 H new ATOM 0 HG SER A 15 -4.670 -11.917 -20.621 1.00 0.00 H new ATOM 239 N ARG A 16 -1.713 -9.666 -23.813 1.00 0.00 N ATOM 240 CA ARG A 16 -1.176 -8.685 -24.747 1.00 0.00 C ATOM 241 C ARG A 16 -2.039 -7.426 -24.754 1.00 0.00 C ATOM 242 O ARG A 16 -1.529 -6.311 -24.861 1.00 0.00 O ATOM 243 CB ARG A 16 -1.119 -9.279 -26.154 1.00 0.00 C ATOM 244 CG ARG A 16 -0.021 -10.343 -26.208 1.00 0.00 C ATOM 245 CD ARG A 16 0.016 -10.966 -27.604 1.00 0.00 C ATOM 246 NE ARG A 16 1.054 -11.986 -27.673 1.00 0.00 N ATOM 247 CZ ARG A 16 1.457 -12.480 -28.839 1.00 0.00 C ATOM 248 NH1 ARG A 16 0.921 -12.049 -29.949 1.00 0.00 N ATOM 249 NH2 ARG A 16 2.386 -13.396 -28.875 1.00 0.00 N ATOM 0 H ARG A 16 -2.111 -10.497 -24.251 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.168 -8.419 -24.428 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.081 -9.719 -26.415 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.918 -8.495 -26.885 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.945 -9.897 -25.971 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.208 -11.113 -25.459 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.953 -11.406 -27.839 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.205 -10.194 -28.350 1.00 0.00 H new ATOM 0 HE ARG A 16 1.479 -12.327 -26.811 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.194 -11.334 -29.920 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.229 -12.427 -30.845 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.803 -13.733 -28.008 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.695 -13.775 -29.770 1.00 0.00 H new ATOM 263 N GLU A 17 -3.350 -7.620 -24.646 1.00 0.00 N ATOM 264 CA GLU A 17 -4.284 -6.501 -24.649 1.00 0.00 C ATOM 265 C GLU A 17 -4.192 -5.723 -23.339 1.00 0.00 C ATOM 266 O GLU A 17 -4.755 -4.636 -23.208 1.00 0.00 O ATOM 267 CB GLU A 17 -5.711 -7.023 -24.847 1.00 0.00 C ATOM 268 CG GLU A 17 -6.663 -5.849 -25.105 1.00 0.00 C ATOM 269 CD GLU A 17 -8.046 -6.366 -25.484 1.00 0.00 C ATOM 270 OE1 GLU A 17 -8.285 -7.547 -25.307 1.00 0.00 O ATOM 271 OE2 GLU A 17 -8.846 -5.569 -25.949 1.00 0.00 O ATOM 0 H GLU A 17 -3.787 -8.537 -24.556 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.026 -5.830 -25.468 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.740 -7.718 -25.686 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.032 -7.576 -23.964 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.732 -5.225 -24.214 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.270 -5.221 -25.905 1.00 0.00 H new ATOM 278 N ILE A 18 -3.472 -6.282 -22.368 1.00 0.00 N ATOM 279 CA ILE A 18 -3.313 -5.626 -21.070 1.00 0.00 C ATOM 280 C ILE A 18 -3.087 -4.128 -21.252 1.00 0.00 C ATOM 281 O ILE A 18 -2.486 -3.695 -22.237 1.00 0.00 O ATOM 282 CB ILE A 18 -2.124 -6.233 -20.321 1.00 0.00 C ATOM 283 CG1 ILE A 18 -2.044 -5.656 -18.900 1.00 0.00 C ATOM 284 CG2 ILE A 18 -0.835 -5.909 -21.073 1.00 0.00 C ATOM 285 CD1 ILE A 18 -3.281 -6.060 -18.084 1.00 0.00 C ATOM 0 H ILE A 18 -2.993 -7.179 -22.453 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.225 -5.779 -20.492 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.255 -7.313 -20.259 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.142 -6.016 -18.406 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.971 -4.569 -18.946 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.014 -6.340 -20.542 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.885 -6.328 -22.078 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.713 -4.828 -21.136 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.207 -5.642 -17.080 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.178 -5.678 -18.571 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.337 -7.147 -18.022 1.00 0.00 H new ATOM 297 N SER A 19 -3.581 -3.342 -20.302 1.00 0.00 N ATOM 298 CA SER A 19 -3.434 -1.895 -20.374 1.00 0.00 C ATOM 299 C SER A 19 -1.973 -1.497 -20.148 1.00 0.00 C ATOM 300 O SER A 19 -1.220 -2.220 -19.496 1.00 0.00 O ATOM 301 CB SER A 19 -4.325 -1.229 -19.316 1.00 0.00 C ATOM 302 OG SER A 19 -3.663 -0.088 -18.783 1.00 0.00 O ATOM 0 H SER A 19 -4.082 -3.679 -19.480 1.00 0.00 H new ATOM 0 HA SER A 19 -3.739 -1.560 -21.365 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.276 -0.935 -19.760 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.550 -1.937 -18.518 1.00 0.00 H new ATOM 0 HG SER A 19 -4.234 0.336 -18.109 1.00 0.00 H new ATOM 308 N PRO A 20 -1.562 -0.368 -20.672 1.00 0.00 N ATOM 309 CA PRO A 20 -0.159 0.121 -20.519 1.00 0.00 C ATOM 310 C PRO A 20 0.190 0.423 -19.060 1.00 0.00 C ATOM 311 O PRO A 20 1.331 0.251 -18.641 1.00 0.00 O ATOM 312 CB PRO A 20 -0.120 1.399 -21.381 1.00 0.00 C ATOM 313 CG PRO A 20 -1.546 1.842 -21.480 1.00 0.00 C ATOM 314 CD PRO A 20 -2.381 0.566 -21.461 1.00 0.00 C ATOM 0 HA PRO A 20 0.573 -0.624 -20.830 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.501 2.167 -20.920 1.00 0.00 H new ATOM 0 HB3 PRO A 20 0.300 1.198 -22.366 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.811 2.495 -20.648 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -1.717 2.407 -22.396 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -3.356 0.731 -21.002 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -2.562 0.190 -22.468 1.00 0.00 H new ATOM 322 N ALA A 21 -0.796 0.880 -18.298 1.00 0.00 N ATOM 323 CA ALA A 21 -0.566 1.211 -16.895 1.00 0.00 C ATOM 324 C ALA A 21 -0.186 -0.029 -16.088 1.00 0.00 C ATOM 325 O ALA A 21 0.855 -0.061 -15.435 1.00 0.00 O ATOM 326 CB ALA A 21 -1.829 1.838 -16.299 1.00 0.00 C ATOM 0 H ALA A 21 -1.752 1.029 -18.621 1.00 0.00 H new ATOM 0 HA ALA A 21 0.261 1.920 -16.846 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.654 2.084 -15.252 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.078 2.746 -16.848 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.656 1.131 -16.372 1.00 0.00 H new ATOM 332 N TYR A 22 -1.033 -1.047 -16.144 1.00 0.00 N ATOM 333 CA TYR A 22 -0.784 -2.282 -15.411 1.00 0.00 C ATOM 334 C TYR A 22 0.508 -2.934 -15.894 1.00 0.00 C ATOM 335 O TYR A 22 1.322 -3.422 -15.102 1.00 0.00 O ATOM 336 CB TYR A 22 -1.962 -3.235 -15.608 1.00 0.00 C ATOM 337 CG TYR A 22 -1.714 -4.504 -14.839 1.00 0.00 C ATOM 338 CD1 TYR A 22 -0.874 -5.485 -15.373 1.00 0.00 C ATOM 339 CD2 TYR A 22 -2.319 -4.700 -13.590 1.00 0.00 C ATOM 340 CE1 TYR A 22 -0.637 -6.661 -14.660 1.00 0.00 C ATOM 341 CE2 TYR A 22 -2.083 -5.879 -12.878 1.00 0.00 C ATOM 342 CZ TYR A 22 -1.242 -6.859 -13.413 1.00 0.00 C ATOM 343 OH TYR A 22 -1.006 -8.024 -12.712 1.00 0.00 O ATOM 0 H TYR A 22 -1.896 -1.043 -16.687 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.678 -2.054 -14.350 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.885 -2.765 -15.267 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.090 -3.458 -16.667 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.409 -5.333 -16.336 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.967 -3.940 -13.178 1.00 0.00 H new ATOM 0 HE1 TYR A 22 0.014 -7.419 -15.070 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.550 -6.033 -11.916 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.500 -8.003 -11.866 1.00 0.00 H new ATOM 353 N ARG A 23 0.697 -2.933 -17.202 1.00 0.00 N ATOM 354 CA ARG A 23 1.892 -3.517 -17.777 1.00 0.00 C ATOM 355 C ARG A 23 3.130 -2.832 -17.205 1.00 0.00 C ATOM 356 O ARG A 23 4.102 -3.491 -16.829 1.00 0.00 O ATOM 357 CB ARG A 23 1.860 -3.365 -19.293 1.00 0.00 C ATOM 358 CG ARG A 23 2.937 -4.255 -19.911 1.00 0.00 C ATOM 359 CD ARG A 23 2.894 -4.133 -21.435 1.00 0.00 C ATOM 360 NE ARG A 23 3.239 -2.774 -21.843 1.00 0.00 N ATOM 361 CZ ARG A 23 4.505 -2.402 -22.013 1.00 0.00 C ATOM 362 NH1 ARG A 23 5.472 -3.257 -21.815 1.00 0.00 N ATOM 363 NH2 ARG A 23 4.782 -1.181 -22.379 1.00 0.00 N ATOM 0 H ARG A 23 0.044 -2.538 -17.879 1.00 0.00 H new ATOM 0 HA ARG A 23 1.930 -4.578 -17.528 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.878 -3.642 -19.677 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.029 -2.324 -19.570 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.920 -3.964 -19.541 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.779 -5.292 -19.615 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.589 -4.843 -21.883 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.899 -4.388 -21.799 1.00 0.00 H new ATOM 0 HE ARG A 23 2.494 -2.096 -22.001 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.257 -4.212 -21.529 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.442 -2.969 -21.946 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.028 -0.512 -22.535 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.752 -0.895 -22.509 1.00 0.00 H new ATOM 377 N GLN A 24 3.082 -1.504 -17.123 1.00 0.00 N ATOM 378 CA GLN A 24 4.202 -0.748 -16.574 1.00 0.00 C ATOM 379 C GLN A 24 4.431 -1.128 -15.119 1.00 0.00 C ATOM 380 O GLN A 24 5.572 -1.185 -14.666 1.00 0.00 O ATOM 381 CB GLN A 24 3.947 0.759 -16.684 1.00 0.00 C ATOM 382 CG GLN A 24 4.224 1.223 -18.115 1.00 0.00 C ATOM 383 CD GLN A 24 3.917 2.710 -18.244 1.00 0.00 C ATOM 384 OE1 GLN A 24 2.762 3.120 -18.131 1.00 0.00 O ATOM 385 NE2 GLN A 24 4.892 3.548 -18.468 1.00 0.00 N ATOM 0 H GLN A 24 2.290 -0.937 -17.426 1.00 0.00 H new ATOM 0 HA GLN A 24 5.093 -0.993 -17.152 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.916 0.985 -16.411 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.587 1.298 -15.986 1.00 0.00 H new ATOM 0 HG2 GLN A 24 5.266 1.034 -18.373 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.613 0.654 -18.816 1.00 0.00 H new ATOM 0 HE21 GLN A 24 5.848 3.205 -18.561 1.00 0.00 H new ATOM 0 HE22 GLN A 24 4.698 4.546 -18.550 1.00 0.00 H new ATOM 394 N LYS A 25 3.353 -1.388 -14.384 1.00 0.00 N ATOM 395 CA LYS A 25 3.502 -1.761 -12.985 1.00 0.00 C ATOM 396 C LYS A 25 4.345 -3.019 -12.871 1.00 0.00 C ATOM 397 O LYS A 25 5.256 -3.078 -12.052 1.00 0.00 O ATOM 398 CB LYS A 25 2.136 -2.015 -12.350 1.00 0.00 C ATOM 399 CG LYS A 25 1.303 -0.724 -12.351 1.00 0.00 C ATOM 400 CD LYS A 25 1.650 0.138 -11.138 1.00 0.00 C ATOM 401 CE LYS A 25 0.805 1.406 -11.179 1.00 0.00 C ATOM 402 NZ LYS A 25 -0.604 1.071 -10.832 1.00 0.00 N ATOM 0 H LYS A 25 2.392 -1.349 -14.724 1.00 0.00 H new ATOM 0 HA LYS A 25 3.993 -0.940 -12.462 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.611 -2.796 -12.900 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.263 -2.374 -11.329 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.490 -0.164 -13.268 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.241 -0.969 -12.338 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.460 -0.413 -10.217 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.710 0.391 -11.145 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.199 2.142 -10.478 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.850 1.855 -12.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.119 1.942 -10.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.061 0.609 -11.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.617 0.427 -10.015 1.00 0.00 H new ATOM 416 N LEU A 26 4.057 -4.021 -13.704 1.00 0.00 N ATOM 417 CA LEU A 26 4.841 -5.261 -13.669 1.00 0.00 C ATOM 418 C LEU A 26 6.294 -4.987 -14.054 1.00 0.00 C ATOM 419 O LEU A 26 7.218 -5.497 -13.423 1.00 0.00 O ATOM 420 CB LEU A 26 4.235 -6.311 -14.624 1.00 0.00 C ATOM 421 CG LEU A 26 3.145 -7.128 -13.912 1.00 0.00 C ATOM 422 CD1 LEU A 26 3.758 -7.958 -12.763 1.00 0.00 C ATOM 423 CD2 LEU A 26 2.068 -6.186 -13.367 1.00 0.00 C ATOM 0 H LEU A 26 3.307 -4.003 -14.395 1.00 0.00 H new ATOM 0 HA LEU A 26 4.814 -5.652 -12.652 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.812 -5.814 -15.497 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.019 -6.977 -14.984 1.00 0.00 H new ATOM 0 HG LEU A 26 2.692 -7.813 -14.628 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.973 -8.531 -12.269 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.506 -8.640 -13.166 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.228 -7.289 -12.042 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.297 -6.768 -12.863 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.518 -5.490 -12.659 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.622 -5.629 -14.190 1.00 0.00 H new ATOM 435 N LEU A 27 6.482 -4.184 -15.090 1.00 0.00 N ATOM 436 CA LEU A 27 7.825 -3.850 -15.548 1.00 0.00 C ATOM 437 C LEU A 27 8.536 -2.931 -14.557 1.00 0.00 C ATOM 438 O LEU A 27 9.756 -2.994 -14.398 1.00 0.00 O ATOM 439 CB LEU A 27 7.762 -3.186 -16.930 1.00 0.00 C ATOM 440 CG LEU A 27 9.196 -2.823 -17.411 1.00 0.00 C ATOM 441 CD1 LEU A 27 9.349 -3.146 -18.900 1.00 0.00 C ATOM 442 CD2 LEU A 27 9.460 -1.323 -17.201 1.00 0.00 C ATOM 0 H LEU A 27 5.729 -3.754 -15.627 1.00 0.00 H new ATOM 0 HA LEU A 27 8.396 -4.776 -15.620 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.289 -3.859 -17.645 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.147 -2.287 -16.883 1.00 0.00 H new ATOM 0 HG LEU A 27 9.911 -3.407 -16.832 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.356 -2.888 -19.227 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.177 -4.210 -19.061 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.623 -2.570 -19.474 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.467 -1.080 -17.541 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.734 -0.743 -17.771 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.367 -1.082 -16.142 1.00 0.00 H new ATOM 454 N SER A 28 7.767 -2.063 -13.913 1.00 0.00 N ATOM 455 CA SER A 28 8.329 -1.109 -12.958 1.00 0.00 C ATOM 456 C SER A 28 9.055 -1.823 -11.825 1.00 0.00 C ATOM 457 O SER A 28 10.141 -1.416 -11.420 1.00 0.00 O ATOM 458 CB SER A 28 7.212 -0.243 -12.377 1.00 0.00 C ATOM 459 OG SER A 28 6.659 0.563 -13.408 1.00 0.00 O ATOM 0 H SER A 28 6.756 -1.997 -14.032 1.00 0.00 H new ATOM 0 HA SER A 28 9.048 -0.485 -13.488 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.439 -0.873 -11.938 1.00 0.00 H new ATOM 0 HB3 SER A 28 7.603 0.386 -11.577 1.00 0.00 H new ATOM 0 HG SER A 28 6.420 -0.002 -14.172 1.00 0.00 H new ATOM 465 N LEU A 29 8.440 -2.883 -11.310 1.00 0.00 N ATOM 466 CA LEU A 29 9.023 -3.657 -10.208 1.00 0.00 C ATOM 467 C LEU A 29 9.251 -5.107 -10.635 1.00 0.00 C ATOM 468 O LEU A 29 8.911 -5.500 -11.751 1.00 0.00 O ATOM 469 CB LEU A 29 8.085 -3.607 -8.987 1.00 0.00 C ATOM 470 CG LEU A 29 6.623 -3.585 -9.451 1.00 0.00 C ATOM 471 CD1 LEU A 29 6.344 -4.810 -10.326 1.00 0.00 C ATOM 472 CD2 LEU A 29 5.704 -3.614 -8.226 1.00 0.00 C ATOM 0 H LEU A 29 7.537 -3.230 -11.635 1.00 0.00 H new ATOM 0 HA LEU A 29 9.985 -3.221 -9.941 1.00 0.00 H new ATOM 0 HB2 LEU A 29 8.260 -4.473 -8.348 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.299 -2.721 -8.389 1.00 0.00 H new ATOM 0 HG LEU A 29 6.437 -2.679 -10.028 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.305 -4.793 -10.655 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.000 -4.793 -11.196 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.528 -5.717 -9.751 1.00 0.00 H new ATOM 0 HD21 LEU A 29 4.664 -3.598 -8.551 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.891 -4.522 -7.652 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.902 -2.743 -7.602 1.00 0.00 H new ATOM 484 N GLY A 30 9.838 -5.896 -9.735 1.00 0.00 N ATOM 485 CA GLY A 30 10.113 -7.305 -10.016 1.00 0.00 C ATOM 486 C GLY A 30 8.943 -8.186 -9.586 1.00 0.00 C ATOM 487 O GLY A 30 8.960 -9.399 -9.794 1.00 0.00 O ATOM 0 H GLY A 30 10.131 -5.585 -8.809 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.300 -7.437 -11.082 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.018 -7.614 -9.492 1.00 0.00 H new ATOM 491 N MET A 31 7.926 -7.566 -8.990 1.00 0.00 N ATOM 492 CA MET A 31 6.748 -8.301 -8.538 1.00 0.00 C ATOM 493 C MET A 31 6.060 -8.949 -9.727 1.00 0.00 C ATOM 494 O MET A 31 5.009 -8.490 -10.175 1.00 0.00 O ATOM 495 CB MET A 31 5.762 -7.350 -7.850 1.00 0.00 C ATOM 496 CG MET A 31 4.748 -8.159 -7.042 1.00 0.00 C ATOM 497 SD MET A 31 5.565 -8.860 -5.592 1.00 0.00 S ATOM 498 CE MET A 31 5.289 -7.454 -4.486 1.00 0.00 C ATOM 0 H MET A 31 7.894 -6.563 -8.810 1.00 0.00 H new ATOM 0 HA MET A 31 7.066 -9.067 -7.831 1.00 0.00 H new ATOM 0 HB2 MET A 31 6.300 -6.664 -7.195 1.00 0.00 H new ATOM 0 HB3 MET A 31 5.247 -6.743 -8.595 1.00 0.00 H new ATOM 0 HG2 MET A 31 3.919 -7.522 -6.734 1.00 0.00 H new ATOM 0 HG3 MET A 31 4.327 -8.955 -7.657 1.00 0.00 H new ATOM 0 HE1 MET A 31 6.119 -7.375 -3.784 1.00 0.00 H new ATOM 0 HE2 MET A 31 5.221 -6.538 -5.072 1.00 0.00 H new ATOM 0 HE3 MET A 31 4.360 -7.601 -3.935 1.00 0.00 H new ATOM 508 N LEU A 32 6.664 -10.010 -10.246 1.00 0.00 N ATOM 509 CA LEU A 32 6.114 -10.712 -11.406 1.00 0.00 C ATOM 510 C LEU A 32 5.387 -11.987 -10.962 1.00 0.00 C ATOM 511 O LEU A 32 5.486 -12.379 -9.800 1.00 0.00 O ATOM 512 CB LEU A 32 7.278 -11.032 -12.379 1.00 0.00 C ATOM 513 CG LEU A 32 7.174 -10.163 -13.645 1.00 0.00 C ATOM 514 CD1 LEU A 32 7.565 -8.724 -13.306 1.00 0.00 C ATOM 515 CD2 LEU A 32 8.112 -10.702 -14.719 1.00 0.00 C ATOM 0 H LEU A 32 7.533 -10.405 -9.886 1.00 0.00 H new ATOM 0 HA LEU A 32 5.382 -10.086 -11.916 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.233 -10.853 -11.885 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.253 -12.087 -12.651 1.00 0.00 H new ATOM 0 HG LEU A 32 6.149 -10.188 -14.016 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.492 -8.107 -14.201 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.893 -8.335 -12.541 1.00 0.00 H new ATOM 0 HD13 LEU A 32 8.589 -8.703 -12.934 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.035 -10.084 -15.613 1.00 0.00 H new ATOM 0 HD22 LEU A 32 9.138 -10.681 -14.350 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.835 -11.728 -14.962 1.00 0.00 H new ATOM 527 N PRO A 33 4.660 -12.633 -11.854 1.00 0.00 N ATOM 528 CA PRO A 33 3.916 -13.886 -11.524 1.00 0.00 C ATOM 529 C PRO A 33 4.794 -14.923 -10.825 1.00 0.00 C ATOM 530 O PRO A 33 5.850 -14.603 -10.281 1.00 0.00 O ATOM 531 CB PRO A 33 3.452 -14.411 -12.890 1.00 0.00 C ATOM 532 CG PRO A 33 3.376 -13.206 -13.765 1.00 0.00 C ATOM 533 CD PRO A 33 4.453 -12.241 -13.268 1.00 0.00 C ATOM 0 HA PRO A 33 3.098 -13.693 -10.830 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.153 -15.144 -13.289 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.483 -14.905 -12.814 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.545 -13.473 -14.808 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.389 -12.748 -13.709 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.372 -12.335 -13.847 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.129 -11.204 -13.351 1.00 0.00 H new ATOM 541 N GLY A 34 4.346 -16.174 -10.856 1.00 0.00 N ATOM 542 CA GLY A 34 5.088 -17.262 -10.228 1.00 0.00 C ATOM 543 C GLY A 34 4.598 -17.490 -8.803 1.00 0.00 C ATOM 544 O GLY A 34 5.212 -18.227 -8.034 1.00 0.00 O ATOM 0 H GLY A 34 3.477 -16.459 -11.307 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.968 -18.175 -10.811 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.152 -17.027 -10.220 1.00 0.00 H new ATOM 548 N SER A 35 3.480 -16.851 -8.462 1.00 0.00 N ATOM 549 CA SER A 35 2.892 -16.984 -7.129 1.00 0.00 C ATOM 550 C SER A 35 1.371 -17.008 -7.220 1.00 0.00 C ATOM 551 O SER A 35 0.808 -17.352 -8.259 1.00 0.00 O ATOM 552 CB SER A 35 3.329 -15.817 -6.243 1.00 0.00 C ATOM 553 OG SER A 35 2.977 -16.097 -4.894 1.00 0.00 O ATOM 0 H SER A 35 2.963 -16.236 -9.090 1.00 0.00 H new ATOM 0 HA SER A 35 3.239 -17.920 -6.692 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.405 -15.664 -6.326 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.850 -14.895 -6.573 1.00 0.00 H new ATOM 0 HG SER A 35 3.643 -16.698 -4.500 1.00 0.00 H new ATOM 559 N SER A 36 0.713 -16.644 -6.125 1.00 0.00 N ATOM 560 CA SER A 36 -0.748 -16.630 -6.085 1.00 0.00 C ATOM 561 C SER A 36 -1.246 -15.592 -5.091 1.00 0.00 C ATOM 562 O SER A 36 -0.489 -15.108 -4.250 1.00 0.00 O ATOM 563 CB SER A 36 -1.272 -18.009 -5.687 1.00 0.00 C ATOM 564 OG SER A 36 -0.641 -18.420 -4.481 1.00 0.00 O ATOM 0 H SER A 36 1.163 -16.356 -5.256 1.00 0.00 H new ATOM 0 HA SER A 36 -1.117 -16.373 -7.078 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.353 -17.975 -5.552 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.072 -18.730 -6.480 1.00 0.00 H new ATOM 0 HG SER A 36 -0.716 -19.393 -4.387 1.00 0.00 H new ATOM 570 N PHE A 37 -2.528 -15.250 -5.197 1.00 0.00 N ATOM 571 CA PHE A 37 -3.129 -14.262 -4.306 1.00 0.00 C ATOM 572 C PHE A 37 -4.565 -14.645 -3.974 1.00 0.00 C ATOM 573 O PHE A 37 -5.179 -15.459 -4.668 1.00 0.00 O ATOM 574 CB PHE A 37 -3.111 -12.883 -4.966 1.00 0.00 C ATOM 575 CG PHE A 37 -4.031 -12.876 -6.165 1.00 0.00 C ATOM 576 CD1 PHE A 37 -5.389 -12.586 -5.990 1.00 0.00 C ATOM 577 CD2 PHE A 37 -3.537 -13.158 -7.447 1.00 0.00 C ATOM 578 CE1 PHE A 37 -6.250 -12.578 -7.089 1.00 0.00 C ATOM 579 CE2 PHE A 37 -4.399 -13.147 -8.547 1.00 0.00 C ATOM 580 CZ PHE A 37 -5.756 -12.858 -8.367 1.00 0.00 C ATOM 0 H PHE A 37 -3.168 -15.641 -5.888 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.548 -14.233 -3.384 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.426 -12.123 -4.250 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.096 -12.630 -5.273 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.771 -12.368 -5.004 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -2.490 -13.384 -7.584 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -7.298 -12.355 -6.952 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.018 -13.361 -9.535 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.423 -12.851 -9.216 1.00 0.00 H new ATOM 590 N ASN A 38 -5.096 -14.052 -2.905 1.00 0.00 N ATOM 591 CA ASN A 38 -6.465 -14.329 -2.470 1.00 0.00 C ATOM 592 C ASN A 38 -7.344 -13.088 -2.618 1.00 0.00 C ATOM 593 O ASN A 38 -6.877 -11.949 -2.478 1.00 0.00 O ATOM 594 CB ASN A 38 -6.462 -14.782 -1.010 1.00 0.00 C ATOM 595 CG ASN A 38 -5.644 -13.813 -0.165 1.00 0.00 C ATOM 596 OD1 ASN A 38 -4.681 -13.223 -0.653 1.00 0.00 O ATOM 597 ND2 ASN A 38 -5.973 -13.612 1.082 1.00 0.00 N ATOM 0 H ASN A 38 -4.599 -13.377 -2.324 1.00 0.00 H new ATOM 0 HA ASN A 38 -6.872 -15.120 -3.099 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -7.484 -14.832 -0.634 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.045 -15.786 -0.933 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.431 -12.964 1.654 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.772 -14.102 1.484 1.00 0.00 H new ATOM 604 N VAL A 39 -8.624 -13.320 -2.905 1.00 0.00 N ATOM 605 CA VAL A 39 -9.572 -12.227 -3.076 1.00 0.00 C ATOM 606 C VAL A 39 -10.196 -11.856 -1.736 1.00 0.00 C ATOM 607 O VAL A 39 -10.788 -12.698 -1.060 1.00 0.00 O ATOM 608 CB VAL A 39 -10.681 -12.646 -4.042 1.00 0.00 C ATOM 609 CG1 VAL A 39 -11.623 -11.463 -4.276 1.00 0.00 C ATOM 610 CG2 VAL A 39 -10.067 -13.087 -5.372 1.00 0.00 C ATOM 0 H VAL A 39 -9.024 -14.251 -3.023 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.038 -11.366 -3.478 1.00 0.00 H new ATOM 0 HB VAL A 39 -11.241 -13.478 -3.614 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -12.415 -11.759 -4.964 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.063 -11.155 -3.328 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -11.063 -10.631 -4.703 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -10.860 -13.385 -6.058 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -9.504 -12.260 -5.805 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -9.398 -13.931 -5.202 1.00 0.00 H new ATOM 620 N VAL A 40 -10.056 -10.592 -1.357 1.00 0.00 N ATOM 621 CA VAL A 40 -10.610 -10.118 -0.096 1.00 0.00 C ATOM 622 C VAL A 40 -12.137 -10.154 -0.115 1.00 0.00 C ATOM 623 O VAL A 40 -12.769 -10.536 0.870 1.00 0.00 O ATOM 624 CB VAL A 40 -10.096 -8.697 0.193 1.00 0.00 C ATOM 625 CG1 VAL A 40 -10.239 -7.809 -1.053 1.00 0.00 C ATOM 626 CG2 VAL A 40 -10.889 -8.082 1.352 1.00 0.00 C ATOM 0 H VAL A 40 -9.567 -9.881 -1.901 1.00 0.00 H new ATOM 0 HA VAL A 40 -10.280 -10.783 0.702 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.042 -8.759 0.464 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.871 -6.808 -0.830 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -9.659 -8.235 -1.872 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.289 -7.754 -1.342 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.520 -7.076 1.552 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -11.945 -8.035 1.086 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.766 -8.697 2.244 1.00 0.00 H new ATOM 636 N ARG A 41 -12.718 -9.749 -1.236 1.00 0.00 N ATOM 637 CA ARG A 41 -14.166 -9.725 -1.375 1.00 0.00 C ATOM 638 C ARG A 41 -14.544 -9.357 -2.804 1.00 0.00 C ATOM 639 O ARG A 41 -13.708 -8.884 -3.572 1.00 0.00 O ATOM 640 CB ARG A 41 -14.761 -8.697 -0.404 1.00 0.00 C ATOM 641 CG ARG A 41 -14.298 -7.288 -0.795 1.00 0.00 C ATOM 642 CD ARG A 41 -14.787 -6.284 0.251 1.00 0.00 C ATOM 643 NE ARG A 41 -14.148 -6.541 1.536 1.00 0.00 N ATOM 644 CZ ARG A 41 -14.457 -5.827 2.613 1.00 0.00 C ATOM 645 NH1 ARG A 41 -15.341 -4.871 2.530 1.00 0.00 N ATOM 646 NH2 ARG A 41 -13.877 -6.082 3.754 1.00 0.00 N ATOM 0 H ARG A 41 -12.209 -9.433 -2.061 1.00 0.00 H new ATOM 0 HA ARG A 41 -14.563 -10.713 -1.143 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -15.849 -8.751 -0.424 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -14.449 -8.923 0.616 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.211 -7.257 -0.865 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -14.688 -7.025 -1.778 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -14.564 -5.269 -0.077 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -15.870 -6.355 0.355 1.00 0.00 H new ATOM 0 HE ARG A 41 -13.451 -7.282 1.609 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -15.795 -4.672 1.638 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -15.578 -4.323 3.357 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -13.186 -6.830 3.819 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -14.114 -5.534 4.581 1.00 0.00 H new ATOM 660 N VAL A 42 -15.811 -9.559 -3.150 1.00 0.00 N ATOM 661 CA VAL A 42 -16.307 -9.226 -4.488 1.00 0.00 C ATOM 662 C VAL A 42 -17.561 -8.365 -4.370 1.00 0.00 C ATOM 663 O VAL A 42 -18.483 -8.704 -3.626 1.00 0.00 O ATOM 664 CB VAL A 42 -16.623 -10.508 -5.259 1.00 0.00 C ATOM 665 CG1 VAL A 42 -15.319 -11.254 -5.547 1.00 0.00 C ATOM 666 CG2 VAL A 42 -17.547 -11.401 -4.426 1.00 0.00 C ATOM 0 H VAL A 42 -16.516 -9.951 -2.526 1.00 0.00 H new ATOM 0 HA VAL A 42 -15.541 -8.669 -5.028 1.00 0.00 H new ATOM 0 HB VAL A 42 -17.119 -10.255 -6.196 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -15.537 -12.170 -6.097 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.662 -10.621 -6.143 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -14.828 -11.504 -4.607 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -17.769 -12.313 -4.981 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -17.056 -11.657 -3.487 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -18.475 -10.869 -4.216 1.00 0.00 H new ATOM 676 N ALA A 43 -17.592 -7.244 -5.092 1.00 0.00 N ATOM 677 CA ALA A 43 -18.748 -6.347 -5.035 1.00 0.00 C ATOM 678 C ALA A 43 -19.753 -6.688 -6.153 1.00 0.00 C ATOM 679 O ALA A 43 -19.454 -6.463 -7.326 1.00 0.00 O ATOM 680 CB ALA A 43 -18.276 -4.903 -5.210 1.00 0.00 C ATOM 0 H ALA A 43 -16.843 -6.938 -5.714 1.00 0.00 H new ATOM 0 HA ALA A 43 -19.238 -6.468 -4.069 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -19.134 -4.232 -5.168 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -17.578 -4.649 -4.412 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -17.779 -4.797 -6.174 1.00 0.00 H new ATOM 686 N PRO A 44 -20.926 -7.216 -5.837 1.00 0.00 N ATOM 687 CA PRO A 44 -21.940 -7.564 -6.875 1.00 0.00 C ATOM 688 C PRO A 44 -22.673 -6.333 -7.409 1.00 0.00 C ATOM 689 O PRO A 44 -23.378 -6.407 -8.415 1.00 0.00 O ATOM 690 CB PRO A 44 -22.893 -8.521 -6.150 1.00 0.00 C ATOM 691 CG PRO A 44 -22.822 -8.125 -4.707 1.00 0.00 C ATOM 692 CD PRO A 44 -21.424 -7.533 -4.477 1.00 0.00 C ATOM 0 HA PRO A 44 -21.485 -8.011 -7.759 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -23.909 -8.431 -6.534 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -22.590 -9.559 -6.289 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -23.595 -7.395 -4.468 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -22.988 -8.987 -4.061 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -21.469 -6.641 -3.853 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -20.771 -8.244 -3.971 1.00 0.00 H new ATOM 700 N LEU A 45 -22.520 -5.211 -6.714 1.00 0.00 N ATOM 701 CA LEU A 45 -23.189 -3.979 -7.109 1.00 0.00 C ATOM 702 C LEU A 45 -22.717 -3.525 -8.486 1.00 0.00 C ATOM 703 O LEU A 45 -23.473 -2.911 -9.237 1.00 0.00 O ATOM 704 CB LEU A 45 -22.895 -2.884 -6.080 1.00 0.00 C ATOM 705 CG LEU A 45 -23.228 -3.396 -4.674 1.00 0.00 C ATOM 706 CD1 LEU A 45 -22.891 -2.310 -3.648 1.00 0.00 C ATOM 707 CD2 LEU A 45 -24.723 -3.747 -4.584 1.00 0.00 C ATOM 0 H LEU A 45 -21.941 -5.130 -5.878 1.00 0.00 H new ATOM 0 HA LEU A 45 -24.262 -4.166 -7.154 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -21.846 -2.593 -6.133 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -23.484 -1.994 -6.303 1.00 0.00 H new ATOM 0 HG LEU A 45 -22.641 -4.291 -4.467 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -23.126 -2.670 -2.646 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -21.829 -2.070 -3.707 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -23.477 -1.416 -3.859 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -24.952 -4.110 -3.582 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -25.319 -2.858 -4.793 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -24.959 -4.522 -5.313 1.00 0.00 H new ATOM 719 N GLY A 46 -21.463 -3.830 -8.814 1.00 0.00 N ATOM 720 CA GLY A 46 -20.890 -3.449 -10.109 1.00 0.00 C ATOM 721 C GLY A 46 -19.588 -2.684 -9.918 1.00 0.00 C ATOM 722 O GLY A 46 -19.224 -1.851 -10.749 1.00 0.00 O ATOM 0 H GLY A 46 -20.823 -4.339 -8.204 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -20.709 -4.341 -10.708 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -21.601 -2.834 -10.660 1.00 0.00 H new ATOM 726 N ASP A 47 -18.882 -2.967 -8.821 1.00 0.00 N ATOM 727 CA ASP A 47 -17.615 -2.290 -8.537 1.00 0.00 C ATOM 728 C ASP A 47 -16.440 -3.171 -8.983 1.00 0.00 C ATOM 729 O ASP A 47 -16.610 -4.371 -9.202 1.00 0.00 O ATOM 730 CB ASP A 47 -17.516 -1.985 -7.020 1.00 0.00 C ATOM 731 CG ASP A 47 -17.679 -0.490 -6.746 1.00 0.00 C ATOM 732 OD1 ASP A 47 -17.054 0.291 -7.443 1.00 0.00 O ATOM 733 OD2 ASP A 47 -18.427 -0.152 -5.844 1.00 0.00 O ATOM 0 H ASP A 47 -19.163 -3.654 -8.121 1.00 0.00 H new ATOM 0 HA ASP A 47 -17.575 -1.351 -9.089 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -18.284 -2.542 -6.483 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -16.552 -2.324 -6.640 1.00 0.00 H new ATOM 738 N PRO A 48 -15.258 -2.610 -9.106 1.00 0.00 N ATOM 739 CA PRO A 48 -14.054 -3.389 -9.522 1.00 0.00 C ATOM 740 C PRO A 48 -13.834 -4.615 -8.636 1.00 0.00 C ATOM 741 O PRO A 48 -14.660 -4.937 -7.784 1.00 0.00 O ATOM 742 CB PRO A 48 -12.886 -2.397 -9.375 1.00 0.00 C ATOM 743 CG PRO A 48 -13.511 -1.035 -9.409 1.00 0.00 C ATOM 744 CD PRO A 48 -14.937 -1.189 -8.869 1.00 0.00 C ATOM 0 HA PRO A 48 -14.156 -3.776 -10.536 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -12.349 -2.559 -8.441 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -12.164 -2.518 -10.183 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -12.941 -0.333 -8.801 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -13.523 -0.640 -10.425 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -14.992 -0.939 -7.809 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -15.634 -0.531 -9.388 1.00 0.00 H new ATOM 752 N ILE A 49 -12.709 -5.297 -8.855 1.00 0.00 N ATOM 753 CA ILE A 49 -12.369 -6.490 -8.089 1.00 0.00 C ATOM 754 C ILE A 49 -11.312 -6.150 -7.049 1.00 0.00 C ATOM 755 O ILE A 49 -10.184 -5.793 -7.392 1.00 0.00 O ATOM 756 CB ILE A 49 -11.834 -7.559 -9.041 1.00 0.00 C ATOM 757 CG1 ILE A 49 -12.692 -7.557 -10.314 1.00 0.00 C ATOM 758 CG2 ILE A 49 -11.881 -8.937 -8.367 1.00 0.00 C ATOM 759 CD1 ILE A 49 -14.168 -7.805 -9.978 1.00 0.00 C ATOM 0 H ILE A 49 -12.018 -5.040 -9.560 1.00 0.00 H new ATOM 0 HA ILE A 49 -13.257 -6.865 -7.580 1.00 0.00 H new ATOM 0 HB ILE A 49 -10.797 -7.342 -9.298 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -12.587 -6.601 -10.827 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -12.336 -8.327 -10.999 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -11.498 -9.691 -9.054 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -11.268 -8.922 -7.466 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -12.911 -9.177 -8.102 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -14.756 -7.799 -10.896 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -14.272 -8.772 -9.487 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -14.527 -7.020 -9.312 1.00 0.00 H new ATOM 771 N HIS A 50 -11.682 -6.263 -5.780 1.00 0.00 N ATOM 772 CA HIS A 50 -10.758 -5.965 -4.694 1.00 0.00 C ATOM 773 C HIS A 50 -10.036 -7.230 -4.273 1.00 0.00 C ATOM 774 O HIS A 50 -10.663 -8.198 -3.841 1.00 0.00 O ATOM 775 CB HIS A 50 -11.521 -5.393 -3.499 1.00 0.00 C ATOM 776 CG HIS A 50 -12.095 -4.048 -3.862 1.00 0.00 C ATOM 777 ND1 HIS A 50 -12.445 -3.489 -5.069 1.00 0.00 N flip ATOM 778 CD2 HIS A 50 -12.364 -3.081 -2.907 1.00 0.00 C flip ATOM 779 CE1 HIS A 50 -12.920 -2.199 -4.867 1.00 0.00 C flip ATOM 780 NE2 HIS A 50 -12.852 -2.002 -3.548 1.00 0.00 N flip ATOM 0 H HIS A 50 -12.611 -6.557 -5.478 1.00 0.00 H new ATOM 0 HA HIS A 50 -10.032 -5.230 -5.041 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -12.320 -6.074 -3.206 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -10.855 -5.296 -2.642 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -12.210 -3.175 -1.842 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -13.269 -1.504 -5.616 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -13.135 -1.140 -3.083 1.00 0.00 H new ATOM 788 N ILE A 51 -8.712 -7.220 -4.403 1.00 0.00 N ATOM 789 CA ILE A 51 -7.900 -8.375 -4.032 1.00 0.00 C ATOM 790 C ILE A 51 -6.826 -7.966 -3.035 1.00 0.00 C ATOM 791 O ILE A 51 -6.314 -6.845 -3.085 1.00 0.00 O ATOM 792 CB ILE A 51 -7.257 -8.990 -5.286 1.00 0.00 C ATOM 793 CG1 ILE A 51 -6.386 -7.953 -6.007 1.00 0.00 C ATOM 794 CG2 ILE A 51 -8.357 -9.462 -6.240 1.00 0.00 C ATOM 795 CD1 ILE A 51 -5.573 -8.643 -7.105 1.00 0.00 C ATOM 0 H ILE A 51 -8.180 -6.427 -4.761 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.542 -9.121 -3.564 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.634 -9.831 -4.982 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.013 -7.174 -6.440 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.718 -7.467 -5.296 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.904 -9.899 -7.130 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.974 -10.210 -5.742 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.978 -8.614 -6.528 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.954 -7.906 -7.617 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.935 -9.406 -6.660 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.250 -9.109 -7.821 1.00 0.00 H new ATOM 807 N GLU A 52 -6.486 -8.882 -2.126 1.00 0.00 N ATOM 808 CA GLU A 52 -5.464 -8.605 -1.114 1.00 0.00 C ATOM 809 C GLU A 52 -4.405 -9.692 -1.118 1.00 0.00 C ATOM 810 O GLU A 52 -4.718 -10.880 -1.048 1.00 0.00 O ATOM 811 CB GLU A 52 -6.097 -8.500 0.278 1.00 0.00 C ATOM 812 CG GLU A 52 -6.867 -7.180 0.396 1.00 0.00 C ATOM 813 CD GLU A 52 -7.543 -7.091 1.761 1.00 0.00 C ATOM 814 OE1 GLU A 52 -7.346 -7.993 2.559 1.00 0.00 O ATOM 815 OE2 GLU A 52 -8.245 -6.119 1.991 1.00 0.00 O ATOM 0 H GLU A 52 -6.898 -9.813 -2.069 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.994 -7.652 -1.358 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.770 -9.341 0.447 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.324 -8.551 1.045 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.186 -6.339 0.262 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.615 -7.114 -0.394 1.00 0.00 H new ATOM 822 N THR A 53 -3.145 -9.272 -1.203 1.00 0.00 N ATOM 823 CA THR A 53 -2.024 -10.210 -1.217 1.00 0.00 C ATOM 824 C THR A 53 -1.115 -9.935 -0.029 1.00 0.00 C ATOM 825 O THR A 53 -0.838 -8.781 0.303 1.00 0.00 O ATOM 826 CB THR A 53 -1.230 -10.065 -2.526 1.00 0.00 C ATOM 827 OG1 THR A 53 -0.174 -9.132 -2.333 1.00 0.00 O ATOM 828 CG2 THR A 53 -2.151 -9.560 -3.647 1.00 0.00 C ATOM 0 H THR A 53 -2.874 -8.290 -1.263 1.00 0.00 H new ATOM 0 HA THR A 53 -2.409 -11.227 -1.150 1.00 0.00 H new ATOM 0 HB THR A 53 -0.823 -11.036 -2.807 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.493 -8.229 -2.541 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.580 -9.460 -4.570 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.964 -10.271 -3.798 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.564 -8.590 -3.369 1.00 0.00 H new ATOM 836 N ARG A 54 -0.657 -11.003 0.604 1.00 0.00 N ATOM 837 CA ARG A 54 0.211 -10.880 1.766 1.00 0.00 C ATOM 838 C ARG A 54 1.298 -9.844 1.509 1.00 0.00 C ATOM 839 O ARG A 54 1.662 -9.079 2.401 1.00 0.00 O ATOM 840 CB ARG A 54 0.858 -12.233 2.081 1.00 0.00 C ATOM 841 CG ARG A 54 -0.204 -13.343 2.072 1.00 0.00 C ATOM 842 CD ARG A 54 -1.290 -13.032 3.104 1.00 0.00 C ATOM 843 NE ARG A 54 -0.684 -12.574 4.349 1.00 0.00 N ATOM 844 CZ ARG A 54 -0.195 -13.436 5.234 1.00 0.00 C ATOM 845 NH1 ARG A 54 -0.260 -14.717 5.001 1.00 0.00 N ATOM 846 NH2 ARG A 54 0.349 -12.998 6.335 1.00 0.00 N ATOM 0 H ARG A 54 -0.871 -11.963 0.334 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.391 -10.559 2.616 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.632 -12.454 1.346 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.345 -12.193 3.055 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.647 -13.427 1.079 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.259 -14.304 2.297 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.963 -12.268 2.716 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.892 -13.922 3.289 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.635 -11.574 4.544 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.686 -15.058 4.139 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.115 -15.379 5.680 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.399 -11.995 6.516 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.725 -13.658 7.016 1.00 0.00 H new ATOM 860 N ARG A 55 1.808 -9.820 0.286 1.00 0.00 N ATOM 861 CA ARG A 55 2.847 -8.865 -0.069 1.00 0.00 C ATOM 862 C ARG A 55 2.286 -7.446 -0.121 1.00 0.00 C ATOM 863 O ARG A 55 2.911 -6.505 0.370 1.00 0.00 O ATOM 864 CB ARG A 55 3.441 -9.229 -1.430 1.00 0.00 C ATOM 865 CG ARG A 55 4.194 -10.554 -1.314 1.00 0.00 C ATOM 866 CD ARG A 55 4.760 -10.942 -2.680 1.00 0.00 C ATOM 867 NE ARG A 55 5.920 -10.111 -2.986 1.00 0.00 N ATOM 868 CZ ARG A 55 7.134 -10.439 -2.556 1.00 0.00 C ATOM 869 NH1 ARG A 55 7.300 -11.511 -1.834 1.00 0.00 N ATOM 870 NH2 ARG A 55 8.157 -9.684 -2.849 1.00 0.00 N ATOM 0 H ARG A 55 1.523 -10.443 -0.469 1.00 0.00 H new ATOM 0 HA ARG A 55 3.624 -8.904 0.694 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.650 -9.311 -2.175 1.00 0.00 H new ATOM 0 HB3 ARG A 55 4.116 -8.442 -1.767 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.001 -10.463 -0.587 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.525 -11.334 -0.951 1.00 0.00 H new ATOM 0 HD2 ARG A 55 5.044 -11.994 -2.681 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.998 -10.817 -3.449 1.00 0.00 H new ATOM 0 HE ARG A 55 5.797 -9.263 -3.540 1.00 0.00 H new ATOM 0 HH11 ARG A 55 6.499 -12.097 -1.600 1.00 0.00 H new ATOM 0 HH12 ARG A 55 8.231 -11.764 -1.503 1.00 0.00 H new ATOM 0 HH21 ARG A 55 8.025 -8.841 -3.408 1.00 0.00 H new ATOM 0 HH22 ARG A 55 9.088 -9.936 -2.519 1.00 0.00 H new ATOM 884 N VAL A 56 1.106 -7.297 -0.719 1.00 0.00 N ATOM 885 CA VAL A 56 0.478 -5.984 -0.828 1.00 0.00 C ATOM 886 C VAL A 56 -0.949 -6.113 -1.332 1.00 0.00 C ATOM 887 O VAL A 56 -1.376 -7.187 -1.754 1.00 0.00 O ATOM 888 CB VAL A 56 1.277 -5.100 -1.785 1.00 0.00 C ATOM 889 CG1 VAL A 56 1.238 -5.698 -3.194 1.00 0.00 C ATOM 890 CG2 VAL A 56 0.691 -3.676 -1.812 1.00 0.00 C ATOM 0 H VAL A 56 0.571 -8.061 -1.131 1.00 0.00 H new ATOM 0 HA VAL A 56 0.463 -5.529 0.162 1.00 0.00 H new ATOM 0 HB VAL A 56 2.309 -5.051 -1.439 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.809 -5.065 -3.874 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.673 -6.697 -3.177 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.205 -5.758 -3.535 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.270 -3.057 -2.498 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.346 -3.715 -2.146 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.734 -3.246 -0.811 1.00 0.00 H new ATOM 900 N SER A 57 -1.684 -5.005 -1.299 1.00 0.00 N ATOM 901 CA SER A 57 -3.063 -5.001 -1.770 1.00 0.00 C ATOM 902 C SER A 57 -3.145 -4.459 -3.192 1.00 0.00 C ATOM 903 O SER A 57 -2.230 -3.782 -3.663 1.00 0.00 O ATOM 904 CB SER A 57 -3.933 -4.147 -0.851 1.00 0.00 C ATOM 905 OG SER A 57 -5.223 -4.006 -1.434 1.00 0.00 O ATOM 0 H SER A 57 -1.350 -4.105 -0.954 1.00 0.00 H new ATOM 0 HA SER A 57 -3.426 -6.029 -1.761 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.013 -4.612 0.131 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.477 -3.168 -0.704 1.00 0.00 H new ATOM 0 HG SER A 57 -5.789 -3.460 -0.849 1.00 0.00 H new ATOM 911 N LEU A 58 -4.250 -4.757 -3.871 1.00 0.00 N ATOM 912 CA LEU A 58 -4.446 -4.289 -5.240 1.00 0.00 C ATOM 913 C LEU A 58 -5.917 -4.411 -5.631 1.00 0.00 C ATOM 914 O LEU A 58 -6.622 -5.306 -5.165 1.00 0.00 O ATOM 915 CB LEU A 58 -3.575 -5.113 -6.204 1.00 0.00 C ATOM 916 CG LEU A 58 -3.768 -4.638 -7.654 1.00 0.00 C ATOM 917 CD1 LEU A 58 -3.312 -3.178 -7.811 1.00 0.00 C ATOM 918 CD2 LEU A 58 -2.947 -5.532 -8.591 1.00 0.00 C ATOM 0 H LEU A 58 -5.018 -5.316 -3.499 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.152 -3.241 -5.302 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.526 -5.021 -5.923 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.835 -6.169 -6.124 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.826 -4.702 -7.908 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.457 -2.861 -8.844 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.899 -2.540 -7.150 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.257 -3.096 -7.551 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.080 -5.200 -9.620 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.892 -5.469 -8.323 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.284 -6.564 -8.497 1.00 0.00 H new ATOM 930 N VAL A 59 -6.372 -3.510 -6.505 1.00 0.00 N ATOM 931 CA VAL A 59 -7.757 -3.531 -6.981 1.00 0.00 C ATOM 932 C VAL A 59 -7.775 -3.343 -8.495 1.00 0.00 C ATOM 933 O VAL A 59 -7.180 -2.401 -9.014 1.00 0.00 O ATOM 934 CB VAL A 59 -8.574 -2.414 -6.321 1.00 0.00 C ATOM 935 CG1 VAL A 59 -7.896 -1.062 -6.560 1.00 0.00 C ATOM 936 CG2 VAL A 59 -9.987 -2.394 -6.918 1.00 0.00 C ATOM 0 H VAL A 59 -5.803 -2.759 -6.896 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.201 -4.491 -6.718 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.634 -2.598 -5.248 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.482 -0.273 -6.088 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.894 -1.076 -6.131 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.829 -0.873 -7.631 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -10.569 -1.600 -6.449 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -9.926 -2.214 -7.991 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -10.472 -3.354 -6.738 1.00 0.00 H new ATOM 946 N LEU A 60 -8.457 -4.245 -9.198 1.00 0.00 N ATOM 947 CA LEU A 60 -8.544 -4.178 -10.664 1.00 0.00 C ATOM 948 C LEU A 60 -9.990 -4.377 -11.122 1.00 0.00 C ATOM 949 O LEU A 60 -10.793 -4.983 -10.419 1.00 0.00 O ATOM 950 CB LEU A 60 -7.629 -5.262 -11.281 1.00 0.00 C ATOM 951 CG LEU A 60 -6.388 -4.633 -11.942 1.00 0.00 C ATOM 952 CD1 LEU A 60 -5.585 -3.813 -10.912 1.00 0.00 C ATOM 953 CD2 LEU A 60 -5.509 -5.749 -12.528 1.00 0.00 C ATOM 0 H LEU A 60 -8.958 -5.030 -8.782 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.214 -3.195 -10.999 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.316 -5.962 -10.506 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.188 -5.835 -12.021 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.708 -3.962 -12.739 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.712 -3.376 -11.396 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.213 -3.018 -10.510 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.262 -4.465 -10.100 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.629 -5.310 -12.997 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.197 -6.423 -11.730 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.077 -6.307 -13.273 1.00 0.00 H new ATOM 965 N ARG A 61 -10.304 -3.863 -12.312 1.00 0.00 N ATOM 966 CA ARG A 61 -11.649 -3.986 -12.864 1.00 0.00 C ATOM 967 C ARG A 61 -11.877 -5.375 -13.452 1.00 0.00 C ATOM 968 O ARG A 61 -10.976 -5.974 -14.029 1.00 0.00 O ATOM 969 CB ARG A 61 -11.860 -2.935 -13.940 1.00 0.00 C ATOM 970 CG ARG A 61 -11.853 -1.555 -13.288 1.00 0.00 C ATOM 971 CD ARG A 61 -12.187 -0.503 -14.334 1.00 0.00 C ATOM 972 NE ARG A 61 -11.109 -0.391 -15.312 1.00 0.00 N ATOM 973 CZ ARG A 61 -10.051 0.384 -15.088 1.00 0.00 C ATOM 974 NH1 ARG A 61 -9.964 1.065 -13.979 1.00 0.00 N ATOM 975 NH2 ARG A 61 -9.100 0.463 -15.978 1.00 0.00 N ATOM 0 H ARG A 61 -9.647 -3.360 -12.908 1.00 0.00 H new ATOM 0 HA ARG A 61 -12.364 -3.834 -12.056 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.073 -3.001 -14.692 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.806 -3.105 -14.453 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -12.579 -1.520 -12.476 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -10.876 -1.352 -12.850 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.117 -0.766 -14.838 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.348 0.460 -13.850 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.168 -0.917 -16.184 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.707 1.003 -13.283 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.153 1.659 -13.808 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.168 -0.069 -16.845 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.289 1.057 -15.806 1.00 0.00 H new ATOM 989 N LYS A 62 -13.095 -5.881 -13.303 1.00 0.00 N ATOM 990 CA LYS A 62 -13.438 -7.204 -13.819 1.00 0.00 C ATOM 991 C LYS A 62 -12.797 -7.456 -15.184 1.00 0.00 C ATOM 992 O LYS A 62 -12.260 -8.538 -15.442 1.00 0.00 O ATOM 993 CB LYS A 62 -14.958 -7.325 -13.925 1.00 0.00 C ATOM 994 CG LYS A 62 -15.483 -6.301 -14.935 1.00 0.00 C ATOM 995 CD LYS A 62 -17.004 -6.186 -14.813 1.00 0.00 C ATOM 996 CE LYS A 62 -17.664 -7.494 -15.256 1.00 0.00 C ATOM 997 NZ LYS A 62 -19.120 -7.265 -15.469 1.00 0.00 N ATOM 0 H LYS A 62 -13.860 -5.399 -12.831 1.00 0.00 H new ATOM 0 HA LYS A 62 -13.052 -7.954 -13.129 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -15.232 -8.333 -14.237 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -15.416 -7.157 -12.950 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -15.020 -5.330 -14.757 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -15.212 -6.602 -15.947 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -17.279 -5.961 -13.782 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -17.365 -5.361 -15.427 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -17.203 -7.854 -16.176 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -17.512 -8.265 -14.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -19.571 -8.153 -15.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -19.554 -6.940 -14.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -19.254 -6.542 -16.205 1.00 0.00 H new ATOM 1011 N LYS A 63 -12.850 -6.454 -16.049 1.00 0.00 N ATOM 1012 CA LYS A 63 -12.269 -6.578 -17.379 1.00 0.00 C ATOM 1013 C LYS A 63 -10.779 -6.898 -17.280 1.00 0.00 C ATOM 1014 O LYS A 63 -10.259 -7.731 -18.027 1.00 0.00 O ATOM 1015 CB LYS A 63 -12.474 -5.274 -18.161 1.00 0.00 C ATOM 1016 CG LYS A 63 -12.265 -4.082 -17.223 1.00 0.00 C ATOM 1017 CD LYS A 63 -12.179 -2.788 -18.035 1.00 0.00 C ATOM 1018 CE LYS A 63 -13.527 -2.498 -18.698 1.00 0.00 C ATOM 1019 NZ LYS A 63 -13.568 -1.072 -19.126 1.00 0.00 N ATOM 0 H LYS A 63 -13.286 -5.552 -15.857 1.00 0.00 H new ATOM 0 HA LYS A 63 -12.767 -7.393 -17.905 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.773 -5.223 -18.994 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.477 -5.245 -18.586 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -13.088 -4.020 -16.511 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.352 -4.220 -16.644 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.898 -1.959 -17.386 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -11.402 -2.876 -18.794 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.671 -3.152 -19.558 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -14.340 -2.704 -18.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -14.483 -0.871 -19.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -13.449 -0.457 -18.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -12.801 -0.891 -19.804 1.00 0.00 H new ATOM 1033 N ASP A 64 -10.099 -6.232 -16.356 1.00 0.00 N ATOM 1034 CA ASP A 64 -8.673 -6.454 -16.172 1.00 0.00 C ATOM 1035 C ASP A 64 -8.411 -7.896 -15.741 1.00 0.00 C ATOM 1036 O ASP A 64 -7.460 -8.521 -16.201 1.00 0.00 O ATOM 1037 CB ASP A 64 -8.118 -5.494 -15.124 1.00 0.00 C ATOM 1038 CG ASP A 64 -8.116 -4.069 -15.662 1.00 0.00 C ATOM 1039 OD1 ASP A 64 -8.254 -3.908 -16.864 1.00 0.00 O ATOM 1040 OD2 ASP A 64 -7.983 -3.158 -14.863 1.00 0.00 O ATOM 0 H ASP A 64 -10.508 -5.540 -15.728 1.00 0.00 H new ATOM 0 HA ASP A 64 -8.171 -6.271 -17.122 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.720 -5.547 -14.217 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.105 -5.789 -14.851 1.00 0.00 H new ATOM 1045 N LEU A 65 -9.263 -8.425 -14.863 1.00 0.00 N ATOM 1046 CA LEU A 65 -9.098 -9.802 -14.393 1.00 0.00 C ATOM 1047 C LEU A 65 -9.201 -10.766 -15.569 1.00 0.00 C ATOM 1048 O LEU A 65 -8.422 -11.711 -15.675 1.00 0.00 O ATOM 1049 CB LEU A 65 -10.176 -10.149 -13.351 1.00 0.00 C ATOM 1050 CG LEU A 65 -9.777 -9.624 -11.959 1.00 0.00 C ATOM 1051 CD1 LEU A 65 -8.570 -10.387 -11.385 1.00 0.00 C ATOM 1052 CD2 LEU A 65 -9.448 -8.140 -12.063 1.00 0.00 C ATOM 0 H LEU A 65 -10.063 -7.931 -14.467 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.116 -9.894 -13.930 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.130 -9.715 -13.649 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.316 -11.229 -13.311 1.00 0.00 H new ATOM 0 HG LEU A 65 -10.616 -9.780 -11.281 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.320 -9.987 -10.402 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.818 -11.444 -11.293 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.716 -10.271 -12.052 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.164 -7.761 -11.081 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.621 -7.998 -12.759 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.322 -7.598 -12.423 1.00 0.00 H new ATOM 1064 N ALA A 66 -10.160 -10.518 -16.456 1.00 0.00 N ATOM 1065 CA ALA A 66 -10.330 -11.380 -17.619 1.00 0.00 C ATOM 1066 C ALA A 66 -9.091 -11.315 -18.507 1.00 0.00 C ATOM 1067 O ALA A 66 -8.644 -12.330 -19.042 1.00 0.00 O ATOM 1068 CB ALA A 66 -11.560 -10.954 -18.423 1.00 0.00 C ATOM 0 H ALA A 66 -10.819 -9.742 -16.394 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.470 -12.404 -17.272 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.673 -11.607 -19.288 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.448 -11.026 -17.795 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.436 -9.925 -18.759 1.00 0.00 H new ATOM 1074 N LEU A 67 -8.541 -10.115 -18.657 1.00 0.00 N ATOM 1075 CA LEU A 67 -7.353 -9.932 -19.481 1.00 0.00 C ATOM 1076 C LEU A 67 -6.141 -10.616 -18.860 1.00 0.00 C ATOM 1077 O LEU A 67 -5.345 -11.236 -19.559 1.00 0.00 O ATOM 1078 CB LEU A 67 -7.058 -8.440 -19.652 1.00 0.00 C ATOM 1079 CG LEU A 67 -8.150 -7.790 -20.508 1.00 0.00 C ATOM 1080 CD1 LEU A 67 -7.940 -6.273 -20.513 1.00 0.00 C ATOM 1081 CD2 LEU A 67 -8.098 -8.340 -21.951 1.00 0.00 C ATOM 0 H LEU A 67 -8.895 -9.262 -18.223 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.548 -10.384 -20.453 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.011 -7.955 -18.677 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.085 -8.304 -20.123 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.129 -8.023 -20.089 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.713 -5.801 -21.120 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -7.998 -5.894 -19.493 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.960 -6.043 -20.930 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.879 -7.870 -22.548 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.124 -8.120 -22.389 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.254 -9.419 -21.935 1.00 0.00 H new ATOM 1093 N LEU A 68 -6.000 -10.502 -17.548 1.00 0.00 N ATOM 1094 CA LEU A 68 -4.871 -11.116 -16.866 1.00 0.00 C ATOM 1095 C LEU A 68 -5.017 -12.626 -16.844 1.00 0.00 C ATOM 1096 O LEU A 68 -6.118 -13.150 -16.676 1.00 0.00 O ATOM 1097 CB LEU A 68 -4.784 -10.588 -15.436 1.00 0.00 C ATOM 1098 CG LEU A 68 -4.449 -9.094 -15.455 1.00 0.00 C ATOM 1099 CD1 LEU A 68 -4.560 -8.543 -14.034 1.00 0.00 C ATOM 1100 CD2 LEU A 68 -3.025 -8.868 -15.986 1.00 0.00 C ATOM 0 H LEU A 68 -6.645 -9.996 -16.940 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.959 -10.862 -17.406 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.730 -10.752 -14.920 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.020 -11.134 -14.883 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.149 -8.578 -16.112 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.323 -7.479 -14.037 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.576 -8.688 -13.666 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.860 -9.069 -13.384 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.804 -7.801 -15.992 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.311 -9.382 -15.343 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.948 -9.260 -17.000 1.00 0.00 H new ATOM 1112 N GLU A 69 -3.898 -13.327 -17.021 1.00 0.00 N ATOM 1113 CA GLU A 69 -3.925 -14.786 -17.023 1.00 0.00 C ATOM 1114 C GLU A 69 -3.859 -15.313 -15.594 1.00 0.00 C ATOM 1115 O GLU A 69 -2.794 -15.324 -14.970 1.00 0.00 O ATOM 1116 CB GLU A 69 -2.749 -15.334 -17.833 1.00 0.00 C ATOM 1117 CG GLU A 69 -2.919 -14.962 -19.307 1.00 0.00 C ATOM 1118 CD GLU A 69 -1.715 -15.450 -20.105 1.00 0.00 C ATOM 1119 OE1 GLU A 69 -0.607 -15.311 -19.612 1.00 0.00 O ATOM 1120 OE2 GLU A 69 -1.918 -15.957 -21.196 1.00 0.00 O ATOM 0 H GLU A 69 -2.976 -12.915 -17.163 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.856 -15.118 -17.482 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.812 -14.928 -17.452 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.695 -16.417 -17.725 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.833 -15.407 -19.701 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.021 -13.882 -19.409 1.00 0.00 H new ATOM 1127 N VAL A 70 -5.009 -15.755 -15.080 1.00 0.00 N ATOM 1128 CA VAL A 70 -5.090 -16.290 -13.720 1.00 0.00 C ATOM 1129 C VAL A 70 -5.641 -17.706 -13.743 1.00 0.00 C ATOM 1130 O VAL A 70 -6.358 -18.089 -14.667 1.00 0.00 O ATOM 1131 CB VAL A 70 -6.006 -15.412 -12.859 1.00 0.00 C ATOM 1132 CG1 VAL A 70 -5.341 -14.060 -12.590 1.00 0.00 C ATOM 1133 CG2 VAL A 70 -7.327 -15.187 -13.599 1.00 0.00 C ATOM 0 H VAL A 70 -5.895 -15.753 -15.585 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.086 -16.297 -13.295 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.191 -15.913 -11.909 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.001 -13.445 -11.978 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -4.399 -14.216 -12.064 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -5.149 -13.554 -13.536 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.983 -14.563 -12.992 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.132 -14.690 -14.549 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.809 -16.147 -13.784 1.00 0.00 H new ATOM 1143 N GLU A 71 -5.300 -18.481 -12.721 1.00 0.00 N ATOM 1144 CA GLU A 71 -5.766 -19.865 -12.629 1.00 0.00 C ATOM 1145 C GLU A 71 -6.078 -20.229 -11.186 1.00 0.00 C ATOM 1146 O GLU A 71 -5.234 -20.085 -10.305 1.00 0.00 O ATOM 1147 CB GLU A 71 -4.696 -20.818 -13.164 1.00 0.00 C ATOM 1148 CG GLU A 71 -4.491 -20.586 -14.671 1.00 0.00 C ATOM 1149 CD GLU A 71 -3.582 -19.381 -14.903 1.00 0.00 C ATOM 1150 OE1 GLU A 71 -3.232 -18.730 -13.933 1.00 0.00 O ATOM 1151 OE2 GLU A 71 -3.251 -19.125 -16.049 1.00 0.00 O ATOM 0 H GLU A 71 -4.707 -18.181 -11.948 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.672 -19.958 -13.227 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.758 -20.660 -12.632 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.994 -21.851 -12.984 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.052 -21.474 -15.126 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.454 -20.422 -15.155 1.00 0.00 H new ATOM 1158 N ALA A 72 -7.293 -20.708 -10.952 1.00 0.00 N ATOM 1159 CA ALA A 72 -7.696 -21.093 -9.608 1.00 0.00 C ATOM 1160 C ALA A 72 -6.879 -22.291 -9.145 1.00 0.00 C ATOM 1161 O ALA A 72 -6.731 -23.270 -9.873 1.00 0.00 O ATOM 1162 CB ALA A 72 -9.184 -21.448 -9.594 1.00 0.00 C ATOM 0 H ALA A 72 -8.009 -20.838 -11.667 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.520 -20.257 -8.931 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -9.480 -21.735 -8.585 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -9.767 -20.583 -9.911 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -9.366 -22.278 -10.276 1.00 0.00 H new ATOM 1168 N VAL A 73 -6.349 -22.208 -7.926 1.00 0.00 N ATOM 1169 CA VAL A 73 -5.544 -23.295 -7.366 1.00 0.00 C ATOM 1170 C VAL A 73 -5.973 -23.589 -5.935 1.00 0.00 C ATOM 1171 O VAL A 73 -6.590 -22.750 -5.277 1.00 0.00 O ATOM 1172 CB VAL A 73 -4.066 -22.911 -7.380 1.00 0.00 C ATOM 1173 CG1 VAL A 73 -3.585 -22.810 -8.826 1.00 0.00 C ATOM 1174 CG2 VAL A 73 -3.881 -21.562 -6.684 1.00 0.00 C ATOM 0 H VAL A 73 -6.461 -21.404 -7.309 1.00 0.00 H new ATOM 0 HA VAL A 73 -5.695 -24.186 -7.976 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.487 -23.670 -6.854 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.530 -22.536 -8.840 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.717 -23.772 -9.321 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.164 -22.050 -9.350 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.826 -21.289 -6.694 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.458 -20.800 -7.208 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.227 -21.634 -5.653 1.00 0.00 H new ATOM 1184 N SER A 74 -5.643 -24.783 -5.454 1.00 0.00 N ATOM 1185 CA SER A 74 -6.000 -25.170 -4.094 1.00 0.00 C ATOM 1186 C SER A 74 -4.988 -24.618 -3.095 1.00 0.00 C ATOM 1187 O SER A 74 -5.302 -23.727 -2.306 1.00 0.00 O ATOM 1188 CB SER A 74 -6.055 -26.695 -3.983 1.00 0.00 C ATOM 1189 OG SER A 74 -6.225 -27.061 -2.620 1.00 0.00 O ATOM 0 H SER A 74 -5.134 -25.493 -5.980 1.00 0.00 H new ATOM 0 HA SER A 74 -6.981 -24.754 -3.863 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.878 -27.085 -4.582 1.00 0.00 H new ATOM 0 HB3 SER A 74 -5.138 -27.133 -4.378 1.00 0.00 H new ATOM 0 HG SER A 74 -6.262 -28.037 -2.546 1.00 0.00 H new ATOM 1195 N SER A 75 -3.770 -25.151 -3.137 1.00 0.00 N ATOM 1196 CA SER A 75 -2.718 -24.701 -2.232 1.00 0.00 C ATOM 1197 C SER A 75 -2.207 -23.329 -2.650 1.00 0.00 C ATOM 1198 O SER A 75 -2.012 -23.063 -3.835 1.00 0.00 O ATOM 1199 CB SER A 75 -1.565 -25.705 -2.234 1.00 0.00 C ATOM 1200 OG SER A 75 -0.534 -25.239 -1.373 1.00 0.00 O ATOM 0 H SER A 75 -3.489 -25.889 -3.783 1.00 0.00 H new ATOM 0 HA SER A 75 -3.132 -24.629 -1.226 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.918 -26.682 -1.902 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.180 -25.832 -3.246 1.00 0.00 H new ATOM 0 HG SER A 75 0.206 -25.882 -1.371 1.00 0.00 H new ATOM 1206 N LEU A 76 -1.996 -22.459 -1.664 1.00 0.00 N ATOM 1207 CA LEU A 76 -1.508 -21.103 -1.924 1.00 0.00 C ATOM 1208 C LEU A 76 -0.091 -20.939 -1.375 1.00 0.00 C ATOM 1209 O LEU A 76 0.537 -19.897 -1.561 1.00 0.00 O ATOM 1210 CB LEU A 76 -2.449 -20.076 -1.263 1.00 0.00 C ATOM 1211 CG LEU A 76 -3.021 -20.648 0.058 1.00 0.00 C ATOM 1212 CD1 LEU A 76 -3.273 -19.510 1.057 1.00 0.00 C ATOM 1213 CD2 LEU A 76 -4.348 -21.378 -0.211 1.00 0.00 C ATOM 0 H LEU A 76 -2.155 -22.667 -0.678 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.490 -20.933 -3.000 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.907 -19.151 -1.063 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.264 -19.828 -1.943 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.297 -21.349 0.473 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.675 -19.921 1.983 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.335 -18.995 1.266 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.988 -18.805 0.633 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.741 -21.776 0.725 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.067 -20.680 -0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.178 -22.197 -0.910 1.00 0.00 H new ATOM 1225 N GLU A 77 0.405 -21.971 -0.698 1.00 0.00 N ATOM 1226 CA GLU A 77 1.748 -21.921 -0.129 1.00 0.00 C ATOM 1227 C GLU A 77 2.783 -21.669 -1.218 1.00 0.00 C ATOM 1228 O GLU A 77 2.621 -22.111 -2.356 1.00 0.00 O ATOM 1229 CB GLU A 77 2.067 -23.235 0.590 1.00 0.00 C ATOM 1230 CG GLU A 77 1.200 -23.356 1.845 1.00 0.00 C ATOM 1231 CD GLU A 77 1.449 -24.699 2.521 1.00 0.00 C ATOM 1232 OE1 GLU A 77 2.252 -25.459 2.006 1.00 0.00 O ATOM 1233 OE2 GLU A 77 0.832 -24.949 3.543 1.00 0.00 O ATOM 0 H GLU A 77 -0.097 -22.843 -0.531 1.00 0.00 H new ATOM 0 HA GLU A 77 1.785 -21.101 0.588 1.00 0.00 H new ATOM 0 HB2 GLU A 77 1.883 -24.079 -0.075 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.122 -23.267 0.860 1.00 0.00 H new ATOM 0 HG2 GLU A 77 1.429 -22.544 2.535 1.00 0.00 H new ATOM 0 HG3 GLU A 77 0.147 -23.262 1.580 1.00 0.00 H new ATOM 1240 N HIS A 78 3.844 -20.951 -0.864 1.00 0.00 N ATOM 1241 CA HIS A 78 4.896 -20.644 -1.824 1.00 0.00 C ATOM 1242 C HIS A 78 5.821 -21.842 -1.999 1.00 0.00 C ATOM 1243 O HIS A 78 6.517 -22.242 -1.067 1.00 0.00 O ATOM 1244 CB HIS A 78 5.704 -19.438 -1.340 1.00 0.00 C ATOM 1245 CG HIS A 78 4.794 -18.250 -1.192 1.00 0.00 C ATOM 1246 ND1 HIS A 78 4.231 -17.608 -2.284 1.00 0.00 N ATOM 1247 CD2 HIS A 78 4.342 -17.574 -0.086 1.00 0.00 C ATOM 1248 CE1 HIS A 78 3.478 -16.596 -1.816 1.00 0.00 C ATOM 1249 NE2 HIS A 78 3.511 -16.530 -0.482 1.00 0.00 N ATOM 0 H HIS A 78 3.997 -20.574 0.072 1.00 0.00 H new ATOM 0 HA HIS A 78 4.435 -20.411 -2.784 1.00 0.00 H new ATOM 0 HB2 HIS A 78 6.180 -19.665 -0.386 1.00 0.00 H new ATOM 0 HB3 HIS A 78 6.501 -19.213 -2.049 1.00 0.00 H new ATOM 0 HD2 HIS A 78 4.593 -17.816 0.936 1.00 0.00 H new ATOM 0 HE1 HIS A 78 2.915 -15.919 -2.442 1.00 0.00 H new ATOM 0 HE2 HIS A 78 3.031 -15.859 0.117 1.00 0.00 H new ATOM 1257 N HIS A 79 5.821 -22.412 -3.199 1.00 0.00 N ATOM 1258 CA HIS A 79 6.665 -23.568 -3.484 1.00 0.00 C ATOM 1259 C HIS A 79 8.139 -23.184 -3.429 1.00 0.00 C ATOM 1260 O HIS A 79 8.960 -23.916 -2.878 1.00 0.00 O ATOM 1261 CB HIS A 79 6.334 -24.128 -4.869 1.00 0.00 C ATOM 1262 CG HIS A 79 4.983 -24.787 -4.836 1.00 0.00 C ATOM 1263 ND1 HIS A 79 4.798 -26.068 -4.339 1.00 0.00 N ATOM 1264 CD2 HIS A 79 3.742 -24.358 -5.236 1.00 0.00 C ATOM 1265 CE1 HIS A 79 3.490 -26.363 -4.453 1.00 0.00 C ATOM 1266 NE2 HIS A 79 2.801 -25.355 -4.993 1.00 0.00 N ATOM 0 H HIS A 79 5.252 -22.096 -3.984 1.00 0.00 H new ATOM 0 HA HIS A 79 6.471 -24.329 -2.728 1.00 0.00 H new ATOM 0 HB2 HIS A 79 6.341 -23.327 -5.608 1.00 0.00 H new ATOM 0 HB3 HIS A 79 7.094 -24.848 -5.173 1.00 0.00 H new ATOM 0 HD2 HIS A 79 3.528 -23.394 -5.673 1.00 0.00 H new ATOM 0 HE1 HIS A 79 3.051 -27.301 -4.145 1.00 0.00 H new ATOM 0 HE2 HIS A 79 1.800 -25.322 -5.186 1.00 0.00 H new ATOM 1274 N HIS A 80 8.466 -22.030 -4.004 1.00 0.00 N ATOM 1275 CA HIS A 80 9.848 -21.557 -4.015 1.00 0.00 C ATOM 1276 C HIS A 80 10.172 -20.832 -2.714 1.00 0.00 C ATOM 1277 O HIS A 80 9.525 -19.844 -2.364 1.00 0.00 O ATOM 1278 CB HIS A 80 10.065 -20.610 -5.197 1.00 0.00 C ATOM 1279 CG HIS A 80 9.836 -21.353 -6.485 1.00 0.00 C ATOM 1280 ND1 HIS A 80 10.707 -22.332 -6.939 1.00 0.00 N ATOM 1281 CD2 HIS A 80 8.842 -21.270 -7.428 1.00 0.00 C ATOM 1282 CE1 HIS A 80 10.224 -22.794 -8.107 1.00 0.00 C ATOM 1283 NE2 HIS A 80 9.089 -22.181 -8.450 1.00 0.00 N ATOM 0 H HIS A 80 7.800 -21.410 -4.465 1.00 0.00 H new ATOM 0 HA HIS A 80 10.509 -22.418 -4.114 1.00 0.00 H new ATOM 0 HB2 HIS A 80 9.383 -19.763 -5.128 1.00 0.00 H new ATOM 0 HB3 HIS A 80 11.077 -20.207 -5.173 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.997 -20.599 -7.383 1.00 0.00 H new ATOM 0 HE1 HIS A 80 10.697 -23.567 -8.695 1.00 0.00 H new ATOM 0 HE2 HIS A 80 8.524 -22.345 -9.283 1.00 0.00 H new ATOM 1291 N HIS A 81 11.177 -21.328 -2.000 1.00 0.00 N ATOM 1292 CA HIS A 81 11.579 -20.720 -0.737 1.00 0.00 C ATOM 1293 C HIS A 81 12.157 -19.329 -0.972 1.00 0.00 C ATOM 1294 O HIS A 81 11.894 -18.400 -0.208 1.00 0.00 O ATOM 1295 CB HIS A 81 12.621 -21.599 -0.045 1.00 0.00 C ATOM 1296 CG HIS A 81 11.984 -22.895 0.378 1.00 0.00 C ATOM 1297 ND1 HIS A 81 11.180 -22.990 1.503 1.00 0.00 N ATOM 1298 CD2 HIS A 81 12.024 -24.156 -0.162 1.00 0.00 C ATOM 1299 CE1 HIS A 81 10.772 -24.268 1.602 1.00 0.00 C ATOM 1300 NE2 HIS A 81 11.258 -25.021 0.612 1.00 0.00 N ATOM 0 H HIS A 81 11.725 -22.144 -2.272 1.00 0.00 H new ATOM 0 HA HIS A 81 10.699 -20.631 -0.100 1.00 0.00 H new ATOM 0 HB2 HIS A 81 13.454 -21.794 -0.721 1.00 0.00 H new ATOM 0 HB3 HIS A 81 13.030 -21.082 0.823 1.00 0.00 H new ATOM 0 HD2 HIS A 81 12.568 -24.434 -1.053 1.00 0.00 H new ATOM 0 HE1 HIS A 81 10.130 -24.640 2.387 1.00 0.00 H new ATOM 0 HE2 HIS A 81 11.101 -26.017 0.457 1.00 0.00 H new ATOM 1308 N HIS A 82 12.947 -19.194 -2.033 1.00 0.00 N ATOM 1309 CA HIS A 82 13.560 -17.911 -2.357 1.00 0.00 C ATOM 1310 C HIS A 82 12.511 -16.931 -2.870 1.00 0.00 C ATOM 1311 O HIS A 82 11.571 -17.319 -3.564 1.00 0.00 O ATOM 1312 CB HIS A 82 14.642 -18.102 -3.421 1.00 0.00 C ATOM 1313 CG HIS A 82 15.724 -18.998 -2.882 1.00 0.00 C ATOM 1314 ND1 HIS A 82 16.592 -18.589 -1.882 1.00 0.00 N ATOM 1315 CD2 HIS A 82 16.092 -20.283 -3.197 1.00 0.00 C ATOM 1316 CE1 HIS A 82 17.432 -19.611 -1.632 1.00 0.00 C ATOM 1317 NE2 HIS A 82 17.171 -20.667 -2.406 1.00 0.00 N ATOM 0 H HIS A 82 13.176 -19.950 -2.678 1.00 0.00 H new ATOM 0 HA HIS A 82 14.009 -17.506 -1.450 1.00 0.00 H new ATOM 0 HB2 HIS A 82 14.209 -18.538 -4.321 1.00 0.00 H new ATOM 0 HB3 HIS A 82 15.062 -17.137 -3.705 1.00 0.00 H new ATOM 0 HD2 HIS A 82 15.617 -20.901 -3.944 1.00 0.00 H new ATOM 0 HE1 HIS A 82 18.221 -19.580 -0.895 1.00 0.00 H new ATOM 0 HE2 HIS A 82 17.658 -21.563 -2.416 1.00 0.00 H new ATOM 1325 N HIS A 83 12.675 -15.660 -2.520 1.00 0.00 N ATOM 1326 CA HIS A 83 11.735 -14.630 -2.948 1.00 0.00 C ATOM 1327 C HIS A 83 11.413 -14.781 -4.432 1.00 0.00 C ATOM 1328 O HIS A 83 10.300 -15.175 -4.739 1.00 0.00 O ATOM 1329 CB HIS A 83 12.328 -13.243 -2.692 1.00 0.00 C ATOM 1330 CG HIS A 83 12.524 -13.042 -1.214 1.00 0.00 C ATOM 1331 ND1 HIS A 83 13.198 -11.945 -0.701 1.00 0.00 N ATOM 1332 CD2 HIS A 83 12.142 -13.789 -0.125 1.00 0.00 C ATOM 1333 CE1 HIS A 83 13.203 -12.061 0.639 1.00 0.00 C ATOM 1334 NE2 HIS A 83 12.572 -13.167 1.042 1.00 0.00 N ATOM 1335 OXT HIS A 83 12.283 -14.501 -5.239 1.00 0.00 O ATOM 0 H HIS A 83 13.445 -15.319 -1.945 1.00 0.00 H new ATOM 0 HA HIS A 83 10.815 -14.744 -2.375 1.00 0.00 H new ATOM 0 HB2 HIS A 83 13.281 -13.142 -3.212 1.00 0.00 H new ATOM 0 HB3 HIS A 83 11.665 -12.474 -3.089 1.00 0.00 H new ATOM 0 HD2 HIS A 83 11.592 -14.717 -0.169 1.00 0.00 H new ATOM 0 HE1 HIS A 83 13.661 -11.347 1.307 1.00 0.00 H new ATOM 0 HE2 HIS A 83 12.435 -13.487 2.001 1.00 0.00 H new TER 1343 HIS A 83