USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 748 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 33 HIS : no HE2:sc= -2.92! C(o=-5.5!,f=-11!) USER MOD Set 1.2: A 62 HIS : no HE2:sc= -2.59 K(o=-5.5,f=-11!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -1.55 X(o=-1.5,f=-1.6) USER MOD Single : A 11 GLN : amide:sc= 0.116 K(o=0.12,f=-1.2) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0.011 USER MOD Single : A 47 GLN : amide:sc= 0.935 K(o=0.94,f=-0.019) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 151:sc= -0.11 (180deg=-1.27) USER MOD Single : A 56 HIS : no HD1:sc= -0.0331 X(o=-0.033,f=-0.23) USER MOD Single : A 58 GLN : amide:sc= -1.4 K(o=-1.4,f=-0.053) USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot -17:sc= 0.327 USER MOD Single : A 71 ASN : amide:sc=-0.000535 K(o=-0.00053,f=-1) USER MOD Single : A 72 ASN : amide:sc= -0.276 X(o=-0.28,f=-0.0042) USER MOD Single : A 75 LYS NZ :NH3+ -128:sc= 1.05 (180deg=-0.171) USER MOD Single : A 96 LYS NZ :NH3+ -175:sc= -0.0721 (180deg=-0.123) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 11 N LEU A 2 11.586 -7.255 -5.037 1.00 0.00 N ATOM 12 CA LEU A 2 10.572 -6.761 -5.973 1.00 0.00 C ATOM 13 C LEU A 2 9.825 -7.893 -6.668 1.00 0.00 C ATOM 14 O LEU A 2 10.340 -8.461 -7.629 1.00 0.00 O ATOM 15 CB LEU A 2 11.213 -5.859 -7.037 1.00 0.00 C ATOM 16 CG LEU A 2 11.731 -4.522 -6.500 1.00 0.00 C ATOM 17 CD1 LEU A 2 12.468 -3.815 -7.635 1.00 0.00 C ATOM 18 CD2 LEU A 2 10.585 -3.660 -5.956 1.00 0.00 C ATOM 0 HA LEU A 2 9.855 -6.191 -5.382 1.00 0.00 H new ATOM 0 HB2 LEU A 2 12.040 -6.396 -7.501 1.00 0.00 H new ATOM 0 HB3 LEU A 2 10.480 -5.663 -7.820 1.00 0.00 H new ATOM 0 HG LEU A 2 12.411 -4.693 -5.666 1.00 0.00 H new ATOM 0 HD11 LEU A 2 12.849 -2.857 -7.281 1.00 0.00 H new ATOM 0 HD12 LEU A 2 13.300 -4.435 -7.970 1.00 0.00 H new ATOM 0 HD13 LEU A 2 11.782 -3.648 -8.466 1.00 0.00 H new ATOM 0 HD21 LEU A 2 10.985 -2.717 -5.582 1.00 0.00 H new ATOM 0 HD22 LEU A 2 9.870 -3.460 -6.754 1.00 0.00 H new ATOM 0 HD23 LEU A 2 10.085 -4.189 -5.145 1.00 0.00 H new ATOM 30 N THR A 3 8.608 -8.178 -6.203 1.00 0.00 N ATOM 31 CA THR A 3 7.727 -9.220 -6.719 1.00 0.00 C ATOM 32 C THR A 3 6.312 -8.647 -6.851 1.00 0.00 C ATOM 33 O THR A 3 6.024 -7.522 -6.420 1.00 0.00 O ATOM 34 CB THR A 3 7.838 -10.434 -5.779 1.00 0.00 C ATOM 35 OG1 THR A 3 9.193 -10.766 -5.640 1.00 0.00 O ATOM 36 CG2 THR A 3 7.213 -11.722 -6.296 1.00 0.00 C ATOM 0 H THR A 3 8.194 -7.666 -5.424 1.00 0.00 H new ATOM 0 HA THR A 3 8.008 -9.560 -7.716 1.00 0.00 H new ATOM 0 HB THR A 3 7.322 -10.120 -4.872 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.281 -11.538 -5.042 1.00 0.00 H new ATOM 0 HG21 THR A 3 7.347 -12.513 -5.558 1.00 0.00 H new ATOM 0 HG22 THR A 3 6.149 -11.565 -6.471 1.00 0.00 H new ATOM 0 HG23 THR A 3 7.695 -12.011 -7.230 1.00 0.00 H new ATOM 44 N THR A 4 5.419 -9.400 -7.473 1.00 0.00 N ATOM 45 CA THR A 4 4.041 -9.025 -7.703 1.00 0.00 C ATOM 46 C THR A 4 3.187 -10.238 -7.332 1.00 0.00 C ATOM 47 O THR A 4 3.626 -11.374 -7.537 1.00 0.00 O ATOM 48 CB THR A 4 3.901 -8.585 -9.169 1.00 0.00 C ATOM 49 OG1 THR A 4 4.446 -9.539 -10.068 1.00 0.00 O ATOM 50 CG2 THR A 4 4.586 -7.248 -9.456 1.00 0.00 C ATOM 0 H THR A 4 5.647 -10.323 -7.844 1.00 0.00 H new ATOM 0 HA THR A 4 3.708 -8.183 -7.096 1.00 0.00 H new ATOM 0 HB THR A 4 2.826 -8.487 -9.324 1.00 0.00 H new ATOM 0 HG1 THR A 4 4.335 -9.222 -10.989 1.00 0.00 H new ATOM 0 HG21 THR A 4 4.453 -6.989 -10.507 1.00 0.00 H new ATOM 0 HG22 THR A 4 4.143 -6.471 -8.832 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.650 -7.329 -9.234 1.00 0.00 H new ATOM 58 N ILE A 5 2.014 -10.023 -6.734 1.00 0.00 N ATOM 59 CA ILE A 5 1.119 -11.109 -6.329 1.00 0.00 C ATOM 60 C ILE A 5 -0.329 -10.733 -6.658 1.00 0.00 C ATOM 61 O ILE A 5 -0.610 -9.577 -7.005 1.00 0.00 O ATOM 62 CB ILE A 5 1.339 -11.543 -4.849 1.00 0.00 C ATOM 63 CG1 ILE A 5 0.477 -10.856 -3.779 1.00 0.00 C ATOM 64 CG2 ILE A 5 2.807 -11.473 -4.395 1.00 0.00 C ATOM 65 CD1 ILE A 5 0.639 -9.352 -3.689 1.00 0.00 C ATOM 0 H ILE A 5 1.658 -9.092 -6.517 1.00 0.00 H new ATOM 0 HA ILE A 5 1.362 -12.001 -6.906 1.00 0.00 H new ATOM 0 HB ILE A 5 1.001 -12.578 -4.905 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.570 -11.081 -3.979 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.717 -11.290 -2.808 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.882 -11.790 -3.355 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.413 -12.131 -5.019 1.00 0.00 H new ATOM 0 HG23 ILE A 5 3.169 -10.449 -4.489 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.011 -8.962 -2.905 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.676 -9.111 -3.454 1.00 0.00 H new ATOM 0 HD13 ILE A 5 0.369 -8.899 -4.643 1.00 0.00 H new ATOM 77 N SER A 6 -1.234 -11.705 -6.547 1.00 0.00 N ATOM 78 CA SER A 6 -2.654 -11.521 -6.810 1.00 0.00 C ATOM 79 C SER A 6 -3.233 -10.455 -5.856 1.00 0.00 C ATOM 80 O SER A 6 -2.702 -10.262 -4.759 1.00 0.00 O ATOM 81 CB SER A 6 -3.351 -12.872 -6.668 1.00 0.00 C ATOM 82 OG SER A 6 -2.658 -13.882 -7.382 1.00 0.00 O ATOM 0 H SER A 6 -0.994 -12.656 -6.267 1.00 0.00 H new ATOM 0 HA SER A 6 -2.817 -11.157 -7.824 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.412 -13.144 -5.614 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.374 -12.798 -7.038 1.00 0.00 H new ATOM 0 HG SER A 6 -3.124 -14.737 -7.273 1.00 0.00 H new ATOM 88 N PRO A 7 -4.342 -9.779 -6.198 1.00 0.00 N ATOM 89 CA PRO A 7 -4.905 -8.744 -5.343 1.00 0.00 C ATOM 90 C PRO A 7 -5.336 -9.286 -3.983 1.00 0.00 C ATOM 91 O PRO A 7 -5.018 -8.686 -2.960 1.00 0.00 O ATOM 92 CB PRO A 7 -6.040 -8.102 -6.146 1.00 0.00 C ATOM 93 CG PRO A 7 -6.419 -9.169 -7.170 1.00 0.00 C ATOM 94 CD PRO A 7 -5.096 -9.891 -7.429 1.00 0.00 C ATOM 0 HA PRO A 7 -4.162 -7.989 -5.086 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.885 -7.844 -5.507 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -5.715 -7.182 -6.631 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.179 -9.848 -6.782 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -6.822 -8.727 -8.081 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.265 -10.935 -7.691 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -4.558 -9.436 -8.261 1.00 0.00 H new ATOM 102 N HIS A 8 -6.020 -10.423 -3.950 1.00 0.00 N ATOM 103 CA HIS A 8 -6.484 -11.054 -2.737 1.00 0.00 C ATOM 104 C HIS A 8 -5.322 -11.448 -1.829 1.00 0.00 C ATOM 105 O HIS A 8 -5.363 -11.216 -0.622 1.00 0.00 O ATOM 106 CB HIS A 8 -7.290 -12.280 -3.161 1.00 0.00 C ATOM 107 CG HIS A 8 -6.747 -13.100 -4.310 1.00 0.00 C ATOM 108 ND1 HIS A 8 -7.074 -12.960 -5.645 1.00 0.00 N ATOM 109 CD2 HIS A 8 -5.916 -14.179 -4.196 1.00 0.00 C ATOM 110 CE1 HIS A 8 -6.460 -13.945 -6.317 1.00 0.00 C ATOM 111 NE2 HIS A 8 -5.744 -14.716 -5.476 1.00 0.00 N ATOM 0 H HIS A 8 -6.270 -10.940 -4.793 1.00 0.00 H new ATOM 0 HA HIS A 8 -7.098 -10.364 -2.158 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -7.389 -12.935 -2.295 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -8.294 -11.949 -3.427 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -5.473 -14.550 -3.284 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -6.530 -14.099 -7.384 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -5.185 -15.532 -5.724 1.00 0.00 H new ATOM 119 N ASP A 9 -4.272 -12.013 -2.428 1.00 0.00 N ATOM 120 CA ASP A 9 -3.081 -12.459 -1.712 1.00 0.00 C ATOM 121 C ASP A 9 -2.441 -11.309 -0.940 1.00 0.00 C ATOM 122 O ASP A 9 -1.845 -11.556 0.100 1.00 0.00 O ATOM 123 CB ASP A 9 -2.049 -13.112 -2.640 1.00 0.00 C ATOM 124 CG ASP A 9 -1.797 -14.581 -2.320 1.00 0.00 C ATOM 125 OD1 ASP A 9 -0.614 -14.986 -2.206 1.00 0.00 O ATOM 126 OD2 ASP A 9 -2.775 -15.362 -2.296 1.00 0.00 O ATOM 0 H ASP A 9 -4.227 -12.174 -3.434 1.00 0.00 H new ATOM 0 HA ASP A 9 -3.412 -13.219 -1.005 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -2.391 -13.025 -3.671 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.109 -12.565 -2.569 1.00 0.00 H new ATOM 131 N ALA A 10 -2.560 -10.058 -1.403 1.00 0.00 N ATOM 132 CA ALA A 10 -1.992 -8.922 -0.689 1.00 0.00 C ATOM 133 C ALA A 10 -2.547 -8.885 0.736 1.00 0.00 C ATOM 134 O ALA A 10 -1.775 -8.793 1.691 1.00 0.00 O ATOM 135 CB ALA A 10 -2.314 -7.611 -1.409 1.00 0.00 C ATOM 0 H ALA A 10 -3.044 -9.814 -2.267 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.908 -9.036 -0.656 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.880 -6.777 -0.858 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.897 -7.637 -2.416 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.395 -7.484 -1.467 1.00 0.00 H new ATOM 141 N GLN A 11 -3.879 -8.935 0.875 1.00 0.00 N ATOM 142 CA GLN A 11 -4.546 -8.914 2.162 1.00 0.00 C ATOM 143 C GLN A 11 -4.149 -10.138 2.971 1.00 0.00 C ATOM 144 O GLN A 11 -3.804 -10.008 4.142 1.00 0.00 O ATOM 145 CB GLN A 11 -6.057 -8.805 1.963 1.00 0.00 C ATOM 146 CG GLN A 11 -6.673 -8.006 3.119 1.00 0.00 C ATOM 147 CD GLN A 11 -7.290 -8.853 4.235 1.00 0.00 C ATOM 148 OE1 GLN A 11 -7.104 -10.060 4.337 1.00 0.00 O ATOM 149 NE2 GLN A 11 -8.043 -8.235 5.122 1.00 0.00 N ATOM 0 H GLN A 11 -4.520 -8.992 0.083 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.233 -8.038 2.730 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.274 -8.316 1.013 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.501 -9.800 1.918 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -5.902 -7.368 3.551 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.442 -7.347 2.716 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -8.203 -7.231 5.044 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -8.466 -8.761 5.887 1.00 0.00 H new ATOM 158 N GLU A 12 -4.115 -11.297 2.317 1.00 0.00 N ATOM 159 CA GLU A 12 -3.729 -12.560 2.924 1.00 0.00 C ATOM 160 C GLU A 12 -2.329 -12.430 3.535 1.00 0.00 C ATOM 161 O GLU A 12 -2.079 -12.965 4.608 1.00 0.00 O ATOM 162 CB GLU A 12 -3.769 -13.646 1.836 1.00 0.00 C ATOM 163 CG GLU A 12 -3.834 -15.063 2.388 1.00 0.00 C ATOM 164 CD GLU A 12 -5.208 -15.416 2.938 1.00 0.00 C ATOM 165 OE1 GLU A 12 -6.137 -15.645 2.123 1.00 0.00 O ATOM 166 OE2 GLU A 12 -5.357 -15.514 4.177 1.00 0.00 O ATOM 0 H GLU A 12 -4.361 -11.382 1.331 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.415 -12.833 3.726 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.635 -13.475 1.196 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.884 -13.551 1.207 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.571 -15.768 1.600 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.091 -15.175 3.178 1.00 0.00 H new ATOM 173 N LEU A 13 -1.402 -11.704 2.903 1.00 0.00 N ATOM 174 CA LEU A 13 -0.055 -11.553 3.434 1.00 0.00 C ATOM 175 C LEU A 13 -0.132 -10.695 4.686 1.00 0.00 C ATOM 176 O LEU A 13 0.468 -11.042 5.699 1.00 0.00 O ATOM 177 CB LEU A 13 0.889 -10.945 2.385 1.00 0.00 C ATOM 178 CG LEU A 13 1.187 -11.885 1.198 1.00 0.00 C ATOM 179 CD1 LEU A 13 1.718 -11.079 0.007 1.00 0.00 C ATOM 180 CD2 LEU A 13 2.195 -12.976 1.560 1.00 0.00 C ATOM 0 H LEU A 13 -1.565 -11.214 2.023 1.00 0.00 H new ATOM 0 HA LEU A 13 0.357 -12.529 3.689 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.449 -10.023 2.005 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.828 -10.675 2.868 1.00 0.00 H new ATOM 0 HG LEU A 13 0.248 -12.372 0.933 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.925 -11.752 -0.825 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.972 -10.345 -0.297 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.635 -10.566 0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.371 -13.611 0.692 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.133 -12.516 1.870 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.800 -13.580 2.377 1.00 0.00 H new ATOM 192 N ILE A 14 -0.859 -9.577 4.635 1.00 0.00 N ATOM 193 CA ILE A 14 -1.023 -8.664 5.765 1.00 0.00 C ATOM 194 C ILE A 14 -1.653 -9.413 6.945 1.00 0.00 C ATOM 195 O ILE A 14 -1.223 -9.227 8.085 1.00 0.00 O ATOM 196 CB ILE A 14 -1.807 -7.419 5.315 1.00 0.00 C ATOM 197 CG1 ILE A 14 -1.027 -6.608 4.257 1.00 0.00 C ATOM 198 CG2 ILE A 14 -2.080 -6.464 6.475 1.00 0.00 C ATOM 199 CD1 ILE A 14 -2.005 -5.960 3.276 1.00 0.00 C ATOM 0 H ILE A 14 -1.356 -9.278 3.796 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.058 -8.301 6.118 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.742 -7.801 4.904 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.425 -5.841 4.745 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.338 -7.261 3.720 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.636 -5.599 6.112 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.665 -6.977 7.238 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -1.134 -6.133 6.904 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.449 -5.389 2.532 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.588 -6.735 2.778 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.676 -5.293 3.818 1.00 0.00 H new ATOM 211 N ALA A 15 -2.627 -10.286 6.683 1.00 0.00 N ATOM 212 CA ALA A 15 -3.297 -11.086 7.694 1.00 0.00 C ATOM 213 C ALA A 15 -2.302 -12.086 8.290 1.00 0.00 C ATOM 214 O ALA A 15 -2.241 -12.255 9.513 1.00 0.00 O ATOM 215 CB ALA A 15 -4.499 -11.805 7.069 1.00 0.00 C ATOM 0 H ALA A 15 -2.975 -10.456 5.739 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.664 -10.445 8.495 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.000 -12.404 7.829 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.196 -11.068 6.670 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.156 -12.454 6.263 1.00 0.00 H new ATOM 221 N ARG A 16 -1.486 -12.732 7.448 1.00 0.00 N ATOM 222 CA ARG A 16 -0.490 -13.702 7.900 1.00 0.00 C ATOM 223 C ARG A 16 0.635 -13.030 8.686 1.00 0.00 C ATOM 224 O ARG A 16 1.247 -13.703 9.521 1.00 0.00 O ATOM 225 CB ARG A 16 0.073 -14.507 6.725 1.00 0.00 C ATOM 226 CG ARG A 16 -0.977 -15.426 6.087 1.00 0.00 C ATOM 227 CD ARG A 16 -0.380 -15.940 4.780 1.00 0.00 C ATOM 228 NE ARG A 16 -1.267 -16.873 4.080 1.00 0.00 N ATOM 229 CZ ARG A 16 -1.119 -17.261 2.808 1.00 0.00 C ATOM 230 NH1 ARG A 16 -0.031 -16.927 2.116 1.00 0.00 N ATOM 231 NH2 ARG A 16 -2.082 -17.976 2.236 1.00 0.00 N ATOM 0 H ARG A 16 -1.500 -12.595 6.437 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.996 -14.394 8.573 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.458 -13.821 5.970 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.915 -15.107 7.070 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.221 -16.254 6.752 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.904 -14.883 5.901 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.162 -15.094 4.128 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.569 -16.435 4.989 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.056 -17.255 4.601 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.701 -16.369 2.555 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.070 -17.229 1.147 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.918 -18.221 2.766 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.985 -18.280 1.267 1.00 0.00 H new ATOM 245 N GLY A 17 0.901 -11.740 8.469 1.00 0.00 N ATOM 246 CA GLY A 17 1.942 -11.013 9.185 1.00 0.00 C ATOM 247 C GLY A 17 2.681 -9.932 8.396 1.00 0.00 C ATOM 248 O GLY A 17 3.781 -9.583 8.827 1.00 0.00 O ATOM 0 H GLY A 17 0.397 -11.172 7.789 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.492 -10.548 10.063 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.675 -11.734 9.546 1.00 0.00 H new ATOM 252 N ALA A 18 2.170 -9.439 7.258 1.00 0.00 N ATOM 253 CA ALA A 18 2.803 -8.392 6.441 1.00 0.00 C ATOM 254 C ALA A 18 2.245 -6.997 6.781 1.00 0.00 C ATOM 255 O ALA A 18 1.367 -6.858 7.636 1.00 0.00 O ATOM 256 CB ALA A 18 2.646 -8.718 4.947 1.00 0.00 C ATOM 0 H ALA A 18 1.284 -9.765 6.871 1.00 0.00 H new ATOM 0 HA ALA A 18 3.868 -8.370 6.674 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.118 -7.936 4.352 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.121 -9.675 4.731 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.587 -8.775 4.696 1.00 0.00 H new ATOM 262 N LYS A 19 2.712 -5.955 6.086 1.00 0.00 N ATOM 263 CA LYS A 19 2.321 -4.557 6.268 1.00 0.00 C ATOM 264 C LYS A 19 1.819 -3.947 4.954 1.00 0.00 C ATOM 265 O LYS A 19 2.078 -4.488 3.880 1.00 0.00 O ATOM 266 CB LYS A 19 3.558 -3.791 6.802 1.00 0.00 C ATOM 267 CG LYS A 19 3.464 -3.354 8.266 1.00 0.00 C ATOM 268 CD LYS A 19 2.386 -2.292 8.425 1.00 0.00 C ATOM 269 CE LYS A 19 2.003 -2.045 9.882 1.00 0.00 C ATOM 270 NZ LYS A 19 0.533 -2.025 10.020 1.00 0.00 N ATOM 0 H LYS A 19 3.405 -6.071 5.347 1.00 0.00 H new ATOM 0 HA LYS A 19 1.498 -4.486 6.979 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.438 -4.423 6.683 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.714 -2.907 6.184 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.235 -4.213 8.896 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.425 -2.961 8.599 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.735 -1.359 7.984 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.499 -2.596 7.868 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.426 -2.825 10.515 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.422 -1.097 10.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.280 -1.856 11.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.139 -1.265 9.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.143 -2.939 9.714 1.00 0.00 H new ATOM 284 N LEU A 20 1.128 -2.804 5.025 1.00 0.00 N ATOM 285 CA LEU A 20 0.594 -2.090 3.862 1.00 0.00 C ATOM 286 C LEU A 20 0.831 -0.597 4.067 1.00 0.00 C ATOM 287 O LEU A 20 0.416 -0.024 5.080 1.00 0.00 O ATOM 288 CB LEU A 20 -0.913 -2.362 3.686 1.00 0.00 C ATOM 289 CG LEU A 20 -1.441 -2.341 2.230 1.00 0.00 C ATOM 290 CD1 LEU A 20 -2.959 -2.563 2.254 1.00 0.00 C ATOM 291 CD2 LEU A 20 -1.168 -1.021 1.520 1.00 0.00 C ATOM 0 H LEU A 20 0.921 -2.341 5.910 1.00 0.00 H new ATOM 0 HA LEU A 20 1.100 -2.438 2.962 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.139 -3.336 4.120 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.466 -1.620 4.263 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.919 -3.128 1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.345 -2.551 1.235 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.179 -3.527 2.713 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.434 -1.769 2.831 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.561 -1.066 0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.654 -0.209 2.061 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.093 -0.842 1.486 1.00 0.00 H new ATOM 303 N ILE A 21 1.516 0.040 3.133 1.00 0.00 N ATOM 304 CA ILE A 21 1.832 1.459 3.127 1.00 0.00 C ATOM 305 C ILE A 21 1.046 2.023 1.952 1.00 0.00 C ATOM 306 O ILE A 21 0.859 1.346 0.943 1.00 0.00 O ATOM 307 CB ILE A 21 3.364 1.650 2.968 1.00 0.00 C ATOM 308 CG1 ILE A 21 4.134 1.556 4.303 1.00 0.00 C ATOM 309 CG2 ILE A 21 3.745 2.935 2.216 1.00 0.00 C ATOM 310 CD1 ILE A 21 3.787 0.349 5.187 1.00 0.00 C ATOM 0 H ILE A 21 1.886 -0.444 2.315 1.00 0.00 H new ATOM 0 HA ILE A 21 1.563 1.971 4.051 1.00 0.00 H new ATOM 0 HB ILE A 21 3.675 0.807 2.351 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.202 1.528 4.085 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.949 2.466 4.873 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.830 3.005 2.141 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.313 2.913 1.216 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.362 3.800 2.757 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.385 0.381 6.098 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.729 0.380 5.446 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.001 -0.572 4.645 1.00 0.00 H new ATOM 322 N ASP A 22 0.617 3.273 2.051 1.00 0.00 N ATOM 323 CA ASP A 22 -0.120 3.972 1.009 1.00 0.00 C ATOM 324 C ASP A 22 0.781 5.104 0.529 1.00 0.00 C ATOM 325 O ASP A 22 1.143 5.963 1.339 1.00 0.00 O ATOM 326 CB ASP A 22 -1.422 4.529 1.592 1.00 0.00 C ATOM 327 CG ASP A 22 -2.166 5.403 0.586 1.00 0.00 C ATOM 328 OD1 ASP A 22 -1.859 5.325 -0.624 1.00 0.00 O ATOM 329 OD2 ASP A 22 -3.082 6.133 1.012 1.00 0.00 O ATOM 0 H ASP A 22 0.776 3.844 2.881 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.381 3.311 0.183 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.064 3.704 1.901 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.200 5.112 2.486 1.00 0.00 H new ATOM 334 N ILE A 23 1.219 5.035 -0.735 1.00 0.00 N ATOM 335 CA ILE A 23 2.096 6.021 -1.358 1.00 0.00 C ATOM 336 C ILE A 23 1.327 7.118 -2.122 1.00 0.00 C ATOM 337 O ILE A 23 1.982 7.915 -2.791 1.00 0.00 O ATOM 338 CB ILE A 23 3.188 5.358 -2.240 1.00 0.00 C ATOM 339 CG1 ILE A 23 2.570 4.619 -3.441 1.00 0.00 C ATOM 340 CG2 ILE A 23 4.172 4.488 -1.435 1.00 0.00 C ATOM 341 CD1 ILE A 23 3.527 3.742 -4.253 1.00 0.00 C ATOM 0 H ILE A 23 0.965 4.272 -1.363 1.00 0.00 H new ATOM 0 HA ILE A 23 2.607 6.525 -0.538 1.00 0.00 H new ATOM 0 HB ILE A 23 3.797 6.165 -2.646 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.755 3.993 -3.077 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.130 5.358 -4.110 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.910 4.054 -2.110 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.678 5.104 -0.692 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.625 3.690 -0.933 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.983 3.272 -5.072 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.330 4.358 -4.657 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.950 2.971 -3.608 1.00 0.00 H new ATOM 353 N ARG A 24 -0.014 7.178 -2.072 1.00 0.00 N ATOM 354 CA ARG A 24 -0.801 8.189 -2.797 1.00 0.00 C ATOM 355 C ARG A 24 -0.510 9.620 -2.314 1.00 0.00 C ATOM 356 O ARG A 24 0.365 10.292 -2.857 1.00 0.00 O ATOM 357 CB ARG A 24 -2.309 7.867 -2.713 1.00 0.00 C ATOM 358 CG ARG A 24 -2.740 6.564 -3.416 1.00 0.00 C ATOM 359 CD ARG A 24 -4.216 6.233 -3.133 1.00 0.00 C ATOM 360 NE ARG A 24 -4.490 6.150 -1.687 1.00 0.00 N ATOM 361 CZ ARG A 24 -5.623 6.500 -1.067 1.00 0.00 C ATOM 362 NH1 ARG A 24 -6.751 6.683 -1.742 1.00 0.00 N ATOM 363 NH2 ARG A 24 -5.614 6.715 0.239 1.00 0.00 N ATOM 0 H ARG A 24 -0.582 6.528 -1.529 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.494 8.146 -3.842 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.594 7.806 -1.663 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.867 8.697 -3.147 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.587 6.661 -4.491 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.110 5.741 -3.078 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.852 6.997 -3.580 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.474 5.286 -3.607 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.739 5.789 -1.099 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.766 6.557 -2.754 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.603 6.950 -1.249 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.747 6.614 0.767 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.474 6.982 0.718 1.00 0.00 H new ATOM 377 N ASP A 25 -1.257 10.110 -1.329 1.00 0.00 N ATOM 378 CA ASP A 25 -1.177 11.437 -0.722 1.00 0.00 C ATOM 379 C ASP A 25 -1.693 11.273 0.709 1.00 0.00 C ATOM 380 O ASP A 25 -2.395 10.301 0.994 1.00 0.00 O ATOM 381 CB ASP A 25 -2.089 12.426 -1.479 1.00 0.00 C ATOM 382 CG ASP A 25 -1.417 13.097 -2.675 1.00 0.00 C ATOM 383 OD1 ASP A 25 -0.383 13.776 -2.497 1.00 0.00 O ATOM 384 OD2 ASP A 25 -1.901 12.948 -3.824 1.00 0.00 O ATOM 0 H ASP A 25 -1.991 9.547 -0.901 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.159 11.825 -0.753 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.976 11.895 -1.824 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.428 13.196 -0.786 1.00 0.00 H new ATOM 389 N ALA A 26 -1.369 12.194 1.619 1.00 0.00 N ATOM 390 CA ALA A 26 -1.838 12.077 2.998 1.00 0.00 C ATOM 391 C ALA A 26 -3.328 12.380 3.105 1.00 0.00 C ATOM 392 O ALA A 26 -4.050 11.696 3.828 1.00 0.00 O ATOM 393 CB ALA A 26 -1.052 13.017 3.909 1.00 0.00 C ATOM 0 H ALA A 26 -0.794 13.015 1.430 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.675 11.047 3.317 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.413 12.918 4.933 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.006 12.760 3.871 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.187 14.045 3.574 1.00 0.00 H new ATOM 399 N ASP A 27 -3.800 13.395 2.382 1.00 0.00 N ATOM 400 CA ASP A 27 -5.203 13.794 2.409 1.00 0.00 C ATOM 401 C ASP A 27 -6.067 12.669 1.842 1.00 0.00 C ATOM 402 O ASP A 27 -7.191 12.460 2.296 1.00 0.00 O ATOM 403 CB ASP A 27 -5.409 15.126 1.677 1.00 0.00 C ATOM 404 CG ASP A 27 -4.658 16.296 2.327 1.00 0.00 C ATOM 405 OD1 ASP A 27 -4.453 16.309 3.564 1.00 0.00 O ATOM 406 OD2 ASP A 27 -4.288 17.248 1.596 1.00 0.00 O ATOM 0 H ASP A 27 -3.220 13.962 1.763 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.514 13.962 3.440 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.079 15.020 0.644 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.474 15.357 1.649 1.00 0.00 H new ATOM 411 N GLU A 28 -5.538 11.903 0.879 1.00 0.00 N ATOM 412 CA GLU A 28 -6.239 10.778 0.280 1.00 0.00 C ATOM 413 C GLU A 28 -6.468 9.682 1.327 1.00 0.00 C ATOM 414 O GLU A 28 -7.401 8.889 1.178 1.00 0.00 O ATOM 415 CB GLU A 28 -5.411 10.231 -0.891 1.00 0.00 C ATOM 416 CG GLU A 28 -5.567 11.071 -2.163 1.00 0.00 C ATOM 417 CD GLU A 28 -6.948 10.920 -2.807 1.00 0.00 C ATOM 418 OE1 GLU A 28 -7.478 11.925 -3.332 1.00 0.00 O ATOM 419 OE2 GLU A 28 -7.557 9.829 -2.731 1.00 0.00 O ATOM 0 H GLU A 28 -4.605 12.054 0.496 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.209 11.110 -0.089 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.359 10.202 -0.606 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.714 9.205 -1.098 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.395 12.120 -1.923 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.802 10.779 -2.882 1.00 0.00 H new ATOM 426 N TYR A 29 -5.628 9.604 2.364 1.00 0.00 N ATOM 427 CA TYR A 29 -5.763 8.623 3.429 1.00 0.00 C ATOM 428 C TYR A 29 -6.790 9.114 4.453 1.00 0.00 C ATOM 429 O TYR A 29 -7.597 8.322 4.943 1.00 0.00 O ATOM 430 CB TYR A 29 -4.407 8.357 4.095 1.00 0.00 C ATOM 431 CG TYR A 29 -4.481 7.319 5.198 1.00 0.00 C ATOM 432 CD1 TYR A 29 -4.673 7.704 6.539 1.00 0.00 C ATOM 433 CD2 TYR A 29 -4.382 5.956 4.874 1.00 0.00 C ATOM 434 CE1 TYR A 29 -4.744 6.731 7.553 1.00 0.00 C ATOM 435 CE2 TYR A 29 -4.496 4.973 5.877 1.00 0.00 C ATOM 436 CZ TYR A 29 -4.634 5.361 7.227 1.00 0.00 C ATOM 437 OH TYR A 29 -4.660 4.421 8.213 1.00 0.00 O ATOM 0 H TYR A 29 -4.830 10.229 2.483 1.00 0.00 H new ATOM 0 HA TYR A 29 -6.113 7.682 3.005 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.696 8.025 3.338 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -4.022 9.290 4.507 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -4.766 8.750 6.790 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.217 5.659 3.849 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -4.883 7.032 8.581 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -4.478 3.926 5.614 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.574 3.529 7.817 1.00 0.00 H new ATOM 447 N LEU A 30 -6.776 10.416 4.763 1.00 0.00 N ATOM 448 CA LEU A 30 -7.678 11.043 5.728 1.00 0.00 C ATOM 449 C LEU A 30 -9.153 10.889 5.351 1.00 0.00 C ATOM 450 O LEU A 30 -9.986 10.789 6.254 1.00 0.00 O ATOM 451 CB LEU A 30 -7.345 12.539 5.901 1.00 0.00 C ATOM 452 CG LEU A 30 -6.441 12.845 7.108 1.00 0.00 C ATOM 453 CD1 LEU A 30 -5.013 12.316 6.939 1.00 0.00 C ATOM 454 CD2 LEU A 30 -6.396 14.358 7.327 1.00 0.00 C ATOM 0 H LEU A 30 -6.122 11.074 4.339 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.522 10.520 6.671 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.858 12.899 4.995 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.275 13.098 6.006 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.870 12.334 7.970 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.426 12.564 7.823 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.039 11.234 6.812 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.557 12.774 6.061 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.757 14.583 8.181 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.996 14.843 6.437 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.403 14.728 7.520 1.00 0.00 H new ATOM 466 N ARG A 31 -9.505 10.890 4.058 1.00 0.00 N ATOM 467 CA ARG A 31 -10.897 10.739 3.618 1.00 0.00 C ATOM 468 C ARG A 31 -11.395 9.362 4.051 1.00 0.00 C ATOM 469 O ARG A 31 -12.206 9.242 4.980 1.00 0.00 O ATOM 470 CB ARG A 31 -11.015 10.964 2.103 1.00 0.00 C ATOM 471 CG ARG A 31 -10.759 12.431 1.742 1.00 0.00 C ATOM 472 CD ARG A 31 -11.162 12.694 0.291 1.00 0.00 C ATOM 473 NE ARG A 31 -10.809 14.064 -0.108 1.00 0.00 N ATOM 474 CZ ARG A 31 -11.341 14.791 -1.096 1.00 0.00 C ATOM 475 NH1 ARG A 31 -12.269 14.297 -1.910 1.00 0.00 N ATOM 476 NH2 ARG A 31 -10.921 16.034 -1.274 1.00 0.00 N ATOM 0 H ARG A 31 -8.838 10.995 3.294 1.00 0.00 H new ATOM 0 HA ARG A 31 -11.529 11.495 4.085 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -10.300 10.328 1.581 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -12.009 10.671 1.765 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -11.325 13.082 2.408 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.705 12.670 1.884 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.664 11.980 -0.365 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -12.235 12.541 0.173 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.070 14.513 0.433 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.594 13.338 -1.790 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.655 14.877 -2.655 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -10.203 16.422 -0.662 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -11.316 16.603 -2.023 1.00 0.00 H new ATOM 490 N GLU A 32 -10.924 8.326 3.367 1.00 0.00 N ATOM 491 CA GLU A 32 -11.231 6.933 3.615 1.00 0.00 C ATOM 492 C GLU A 32 -10.157 6.120 2.903 1.00 0.00 C ATOM 493 O GLU A 32 -9.803 6.418 1.760 1.00 0.00 O ATOM 494 CB GLU A 32 -12.638 6.529 3.144 1.00 0.00 C ATOM 495 CG GLU A 32 -13.041 6.854 1.693 1.00 0.00 C ATOM 496 CD GLU A 32 -13.475 8.302 1.426 1.00 0.00 C ATOM 497 OE1 GLU A 32 -13.357 8.759 0.264 1.00 0.00 O ATOM 498 OE2 GLU A 32 -14.010 8.970 2.336 1.00 0.00 O ATOM 0 H GLU A 32 -10.283 8.448 2.583 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.233 6.745 4.689 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -12.740 5.453 3.285 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.361 7.007 3.805 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.198 6.622 1.042 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.858 6.192 1.406 1.00 0.00 H new ATOM 505 N HIS A 33 -9.626 5.100 3.570 1.00 0.00 N ATOM 506 CA HIS A 33 -8.598 4.235 3.017 1.00 0.00 C ATOM 507 C HIS A 33 -8.710 2.847 3.653 1.00 0.00 C ATOM 508 O HIS A 33 -9.788 2.478 4.107 1.00 0.00 O ATOM 509 CB HIS A 33 -7.222 4.896 3.186 1.00 0.00 C ATOM 510 CG HIS A 33 -6.169 4.183 2.384 1.00 0.00 C ATOM 511 ND1 HIS A 33 -5.100 3.477 2.894 1.00 0.00 N ATOM 512 CD2 HIS A 33 -6.269 3.890 1.051 1.00 0.00 C ATOM 513 CE1 HIS A 33 -4.568 2.773 1.883 1.00 0.00 C ATOM 514 NE2 HIS A 33 -5.245 3.005 0.751 1.00 0.00 N ATOM 0 H HIS A 33 -9.903 4.851 4.520 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.734 4.094 1.945 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -7.276 5.939 2.873 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -6.943 4.894 4.240 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -4.774 3.488 3.860 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -7.007 4.275 0.363 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -3.717 2.114 1.970 1.00 0.00 H new ATOM 522 N ILE A 34 -7.654 2.041 3.642 1.00 0.00 N ATOM 523 CA ILE A 34 -7.605 0.704 4.208 1.00 0.00 C ATOM 524 C ILE A 34 -7.188 0.816 5.685 1.00 0.00 C ATOM 525 O ILE A 34 -6.230 1.536 5.981 1.00 0.00 O ATOM 526 CB ILE A 34 -6.578 -0.140 3.430 1.00 0.00 C ATOM 527 CG1 ILE A 34 -6.917 -0.154 1.925 1.00 0.00 C ATOM 528 CG2 ILE A 34 -6.526 -1.576 3.983 1.00 0.00 C ATOM 529 CD1 ILE A 34 -5.831 -0.868 1.137 1.00 0.00 C ATOM 0 H ILE A 34 -6.769 2.318 3.217 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.581 0.223 4.138 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.595 0.314 3.558 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.874 -0.651 1.767 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.025 0.868 1.562 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.795 -2.156 3.420 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.238 -1.551 5.034 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.508 -2.039 3.887 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.089 -0.867 0.078 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.881 -0.354 1.279 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.743 -1.896 1.488 1.00 0.00 H new ATOM 541 N PRO A 35 -7.842 0.077 6.597 1.00 0.00 N ATOM 542 CA PRO A 35 -7.536 0.075 8.027 1.00 0.00 C ATOM 543 C PRO A 35 -6.228 -0.670 8.319 1.00 0.00 C ATOM 544 O PRO A 35 -5.484 -0.311 9.226 1.00 0.00 O ATOM 545 CB PRO A 35 -8.716 -0.644 8.688 1.00 0.00 C ATOM 546 CG PRO A 35 -9.238 -1.572 7.591 1.00 0.00 C ATOM 547 CD PRO A 35 -8.970 -0.790 6.314 1.00 0.00 C ATOM 0 HA PRO A 35 -7.402 1.088 8.405 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.401 -1.203 9.569 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -9.482 0.060 9.014 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.717 -2.530 7.593 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.299 -1.786 7.716 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -8.745 -1.462 5.486 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -9.845 -0.208 6.024 1.00 0.00 H new ATOM 555 N GLU A 36 -5.949 -1.722 7.548 1.00 0.00 N ATOM 556 CA GLU A 36 -4.759 -2.554 7.650 1.00 0.00 C ATOM 557 C GLU A 36 -3.507 -1.818 7.150 1.00 0.00 C ATOM 558 O GLU A 36 -2.410 -2.371 7.273 1.00 0.00 O ATOM 559 CB GLU A 36 -4.996 -3.882 6.907 1.00 0.00 C ATOM 560 CG GLU A 36 -6.082 -4.688 7.640 1.00 0.00 C ATOM 561 CD GLU A 36 -6.540 -5.953 6.927 1.00 0.00 C ATOM 562 OE1 GLU A 36 -6.902 -5.857 5.735 1.00 0.00 O ATOM 563 OE2 GLU A 36 -6.708 -6.990 7.610 1.00 0.00 O ATOM 0 H GLU A 36 -6.577 -2.027 6.804 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.572 -2.779 8.700 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.303 -3.687 5.879 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.070 -4.456 6.860 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.706 -4.961 8.626 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.947 -4.044 7.796 1.00 0.00 H new ATOM 570 N ALA A 37 -3.658 -0.628 6.547 1.00 0.00 N ATOM 571 CA ALA A 37 -2.562 0.192 6.057 1.00 0.00 C ATOM 572 C ALA A 37 -2.266 1.297 7.067 1.00 0.00 C ATOM 573 O ALA A 37 -3.018 1.489 8.027 1.00 0.00 O ATOM 574 CB ALA A 37 -2.879 0.821 4.693 1.00 0.00 C ATOM 0 H ALA A 37 -4.573 -0.207 6.387 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.693 -0.454 5.932 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.033 1.425 4.365 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.066 0.033 3.964 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.763 1.452 4.780 1.00 0.00 H new ATOM 580 N ASP A 38 -1.136 1.991 6.896 1.00 0.00 N ATOM 581 CA ASP A 38 -0.771 3.088 7.772 1.00 0.00 C ATOM 582 C ASP A 38 -0.686 4.267 6.818 1.00 0.00 C ATOM 583 O ASP A 38 -1.718 4.630 6.277 1.00 0.00 O ATOM 584 CB ASP A 38 0.459 2.744 8.622 1.00 0.00 C ATOM 585 CG ASP A 38 0.442 3.431 9.984 1.00 0.00 C ATOM 586 OD1 ASP A 38 0.624 2.695 10.983 1.00 0.00 O ATOM 587 OD2 ASP A 38 0.264 4.666 10.040 1.00 0.00 O ATOM 0 H ASP A 38 -0.462 1.805 6.153 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.480 3.327 8.565 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.507 1.664 8.764 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.361 3.035 8.084 1.00 0.00 H new ATOM 592 N LEU A 39 0.488 4.796 6.495 1.00 0.00 N ATOM 593 CA LEU A 39 0.631 5.939 5.584 1.00 0.00 C ATOM 594 C LEU A 39 2.105 6.249 5.350 1.00 0.00 C ATOM 595 O LEU A 39 2.880 6.229 6.305 1.00 0.00 O ATOM 596 CB LEU A 39 -0.027 7.194 6.214 1.00 0.00 C ATOM 597 CG LEU A 39 0.124 8.488 5.395 1.00 0.00 C ATOM 598 CD1 LEU A 39 -0.486 8.360 3.995 1.00 0.00 C ATOM 599 CD2 LEU A 39 -0.527 9.659 6.136 1.00 0.00 C ATOM 0 H LEU A 39 1.376 4.447 6.856 1.00 0.00 H new ATOM 0 HA LEU A 39 0.149 5.685 4.640 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.089 6.995 6.358 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.404 7.355 7.202 1.00 0.00 H new ATOM 0 HG LEU A 39 1.192 8.673 5.276 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.356 9.297 3.454 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.012 7.556 3.453 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.549 8.135 4.081 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.414 10.570 5.548 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.587 9.452 6.284 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.044 9.791 7.104 1.00 0.00 H new ATOM 611 N ALA A 40 2.498 6.539 4.109 1.00 0.00 N ATOM 612 CA ALA A 40 3.854 6.900 3.698 1.00 0.00 C ATOM 613 C ALA A 40 3.733 7.342 2.228 1.00 0.00 C ATOM 614 O ALA A 40 4.039 6.536 1.352 1.00 0.00 O ATOM 615 CB ALA A 40 4.842 5.737 3.945 1.00 0.00 C ATOM 0 H ALA A 40 1.846 6.528 3.325 1.00 0.00 H new ATOM 0 HA ALA A 40 4.274 7.716 4.286 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.842 6.036 3.630 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.855 5.490 5.007 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.527 4.864 3.373 1.00 0.00 H new ATOM 621 N PRO A 41 3.244 8.570 1.946 1.00 0.00 N ATOM 622 CA PRO A 41 3.062 9.065 0.588 1.00 0.00 C ATOM 623 C PRO A 41 4.408 9.167 -0.123 1.00 0.00 C ATOM 624 O PRO A 41 5.427 9.473 0.504 1.00 0.00 O ATOM 625 CB PRO A 41 2.318 10.395 0.702 1.00 0.00 C ATOM 626 CG PRO A 41 2.669 10.881 2.101 1.00 0.00 C ATOM 627 CD PRO A 41 2.873 9.596 2.903 1.00 0.00 C ATOM 0 HA PRO A 41 2.471 8.386 -0.027 1.00 0.00 H new ATOM 0 HB2 PRO A 41 2.642 11.102 -0.061 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.243 10.265 0.581 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.570 11.494 2.095 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.870 11.491 2.523 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.652 9.727 3.654 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.962 9.321 3.434 1.00 0.00 H new ATOM 635 N LEU A 42 4.403 8.979 -1.446 1.00 0.00 N ATOM 636 CA LEU A 42 5.623 9.018 -2.243 1.00 0.00 C ATOM 637 C LEU A 42 6.391 10.314 -2.031 1.00 0.00 C ATOM 638 O LEU A 42 7.601 10.278 -1.853 1.00 0.00 O ATOM 639 CB LEU A 42 5.332 8.830 -3.739 1.00 0.00 C ATOM 640 CG LEU A 42 6.340 7.953 -4.517 1.00 0.00 C ATOM 641 CD1 LEU A 42 7.763 7.892 -3.964 1.00 0.00 C ATOM 642 CD2 LEU A 42 5.846 6.515 -4.605 1.00 0.00 C ATOM 0 H LEU A 42 3.558 8.797 -1.987 1.00 0.00 H new ATOM 0 HA LEU A 42 6.240 8.187 -1.902 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.340 8.390 -3.844 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.296 9.813 -4.209 1.00 0.00 H new ATOM 0 HG LEU A 42 6.394 8.452 -5.484 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.372 7.246 -4.597 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.191 8.894 -3.950 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.743 7.492 -2.950 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.570 5.915 -5.156 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.728 6.109 -3.600 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.886 6.491 -5.121 1.00 0.00 H new ATOM 654 N SER A 43 5.697 11.448 -1.985 1.00 0.00 N ATOM 655 CA SER A 43 6.320 12.746 -1.794 1.00 0.00 C ATOM 656 C SER A 43 7.159 12.798 -0.517 1.00 0.00 C ATOM 657 O SER A 43 8.142 13.530 -0.499 1.00 0.00 O ATOM 658 CB SER A 43 5.232 13.822 -1.829 1.00 0.00 C ATOM 659 OG SER A 43 4.427 13.602 -2.973 1.00 0.00 O ATOM 0 H SER A 43 4.682 11.488 -2.080 1.00 0.00 H new ATOM 0 HA SER A 43 7.024 12.933 -2.605 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.626 13.779 -0.924 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.681 14.815 -1.865 1.00 0.00 H new ATOM 0 HG SER A 43 3.722 14.281 -3.012 1.00 0.00 H new ATOM 665 N VAL A 44 6.801 12.068 0.542 1.00 0.00 N ATOM 666 CA VAL A 44 7.589 12.071 1.774 1.00 0.00 C ATOM 667 C VAL A 44 8.711 11.039 1.650 1.00 0.00 C ATOM 668 O VAL A 44 9.815 11.293 2.131 1.00 0.00 O ATOM 669 CB VAL A 44 6.694 11.827 3.009 1.00 0.00 C ATOM 670 CG1 VAL A 44 7.511 11.720 4.305 1.00 0.00 C ATOM 671 CG2 VAL A 44 5.708 12.991 3.178 1.00 0.00 C ATOM 0 H VAL A 44 5.975 11.471 0.570 1.00 0.00 H new ATOM 0 HA VAL A 44 8.041 13.052 1.920 1.00 0.00 H new ATOM 0 HB VAL A 44 6.172 10.885 2.837 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.839 11.549 5.146 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.212 10.889 4.226 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.063 12.646 4.465 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.080 12.812 4.051 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.262 13.920 3.314 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.081 13.069 2.290 1.00 0.00 H new ATOM 681 N LEU A 45 8.458 9.907 0.985 1.00 0.00 N ATOM 682 CA LEU A 45 9.425 8.830 0.799 1.00 0.00 C ATOM 683 C LEU A 45 10.574 9.264 -0.104 1.00 0.00 C ATOM 684 O LEU A 45 11.723 9.152 0.303 1.00 0.00 O ATOM 685 CB LEU A 45 8.716 7.561 0.311 1.00 0.00 C ATOM 686 CG LEU A 45 8.250 6.678 1.487 1.00 0.00 C ATOM 687 CD1 LEU A 45 7.362 7.394 2.502 1.00 0.00 C ATOM 688 CD2 LEU A 45 7.619 5.398 0.943 1.00 0.00 C ATOM 0 H LEU A 45 7.554 9.714 0.553 1.00 0.00 H new ATOM 0 HA LEU A 45 9.881 8.591 1.760 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.856 7.837 -0.300 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.390 6.990 -0.327 1.00 0.00 H new ATOM 0 HG LEU A 45 9.135 6.418 2.067 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.081 6.699 3.294 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.906 8.234 2.933 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.464 7.760 2.005 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.289 4.773 1.773 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.763 5.652 0.318 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.354 4.854 0.349 1.00 0.00 H new ATOM 700 N GLU A 46 10.291 9.789 -1.297 1.00 0.00 N ATOM 701 CA GLU A 46 11.307 10.267 -2.234 1.00 0.00 C ATOM 702 C GLU A 46 12.173 11.373 -1.635 1.00 0.00 C ATOM 703 O GLU A 46 13.233 11.697 -2.177 1.00 0.00 O ATOM 704 CB GLU A 46 10.627 10.803 -3.498 1.00 0.00 C ATOM 705 CG GLU A 46 10.554 9.728 -4.582 1.00 0.00 C ATOM 706 CD GLU A 46 11.605 9.889 -5.689 1.00 0.00 C ATOM 707 OE1 GLU A 46 12.823 9.750 -5.415 1.00 0.00 O ATOM 708 OE2 GLU A 46 11.215 10.112 -6.859 1.00 0.00 O ATOM 0 H GLU A 46 9.338 9.895 -1.643 1.00 0.00 H new ATOM 0 HA GLU A 46 11.954 9.422 -2.469 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.622 11.148 -3.255 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.178 11.665 -3.873 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.676 8.749 -4.118 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.561 9.746 -5.032 1.00 0.00 H new ATOM 715 N GLN A 47 11.702 11.996 -0.560 1.00 0.00 N ATOM 716 CA GLN A 47 12.388 13.046 0.156 1.00 0.00 C ATOM 717 C GLN A 47 13.079 12.422 1.365 1.00 0.00 C ATOM 718 O GLN A 47 14.237 12.015 1.262 1.00 0.00 O ATOM 719 CB GLN A 47 11.421 14.201 0.476 1.00 0.00 C ATOM 720 CG GLN A 47 11.034 14.897 -0.835 1.00 0.00 C ATOM 721 CD GLN A 47 10.239 16.176 -0.615 1.00 0.00 C ATOM 722 OE1 GLN A 47 10.788 17.226 -0.306 1.00 0.00 O ATOM 723 NE2 GLN A 47 8.934 16.155 -0.775 1.00 0.00 N ATOM 0 H GLN A 47 10.795 11.768 -0.154 1.00 0.00 H new ATOM 0 HA GLN A 47 13.168 13.509 -0.449 1.00 0.00 H new ATOM 0 HB2 GLN A 47 10.532 13.821 0.979 1.00 0.00 H new ATOM 0 HB3 GLN A 47 11.892 14.911 1.156 1.00 0.00 H new ATOM 0 HG2 GLN A 47 11.938 15.130 -1.397 1.00 0.00 H new ATOM 0 HG3 GLN A 47 10.447 14.211 -1.445 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.466 15.286 -1.032 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.390 17.008 -0.642 1.00 0.00 H new ATOM 732 N SER A 48 12.383 12.361 2.494 1.00 0.00 N ATOM 733 CA SER A 48 12.867 11.822 3.744 1.00 0.00 C ATOM 734 C SER A 48 13.065 10.312 3.651 1.00 0.00 C ATOM 735 O SER A 48 14.204 9.848 3.753 1.00 0.00 O ATOM 736 CB SER A 48 11.876 12.204 4.846 1.00 0.00 C ATOM 737 OG SER A 48 12.446 11.993 6.116 1.00 0.00 O ATOM 0 H SER A 48 11.424 12.703 2.558 1.00 0.00 H new ATOM 0 HA SER A 48 13.844 12.243 3.980 1.00 0.00 H new ATOM 0 HB2 SER A 48 11.589 13.250 4.739 1.00 0.00 H new ATOM 0 HB3 SER A 48 10.966 11.612 4.746 1.00 0.00 H new ATOM 0 HG SER A 48 11.801 12.243 6.810 1.00 0.00 H new ATOM 743 N GLY A 49 11.993 9.552 3.434 1.00 0.00 N ATOM 744 CA GLY A 49 12.026 8.098 3.352 1.00 0.00 C ATOM 745 C GLY A 49 10.868 7.494 4.136 1.00 0.00 C ATOM 746 O GLY A 49 9.965 8.202 4.579 1.00 0.00 O ATOM 0 H GLY A 49 11.059 9.941 3.308 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.970 7.785 2.309 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.972 7.727 3.745 1.00 0.00 H new ATOM 750 N LEU A 50 10.846 6.164 4.224 1.00 0.00 N ATOM 751 CA LEU A 50 9.827 5.426 4.964 1.00 0.00 C ATOM 752 C LEU A 50 10.209 5.514 6.449 1.00 0.00 C ATOM 753 O LEU A 50 11.398 5.382 6.756 1.00 0.00 O ATOM 754 CB LEU A 50 9.816 3.967 4.484 1.00 0.00 C ATOM 755 CG LEU A 50 8.833 3.052 5.233 1.00 0.00 C ATOM 756 CD1 LEU A 50 7.416 3.153 4.670 1.00 0.00 C ATOM 757 CD2 LEU A 50 9.278 1.595 5.109 1.00 0.00 C ATOM 0 H LEU A 50 11.542 5.565 3.779 1.00 0.00 H new ATOM 0 HA LEU A 50 8.830 5.837 4.808 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.570 3.950 3.422 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.821 3.558 4.585 1.00 0.00 H new ATOM 0 HG LEU A 50 8.830 3.377 6.274 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.755 2.490 5.228 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.061 4.180 4.760 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.420 2.861 3.620 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.576 0.954 5.642 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.302 1.310 4.057 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.273 1.481 5.539 1.00 0.00 H new ATOM 769 N PRO A 51 9.257 5.706 7.377 1.00 0.00 N ATOM 770 CA PRO A 51 9.570 5.800 8.793 1.00 0.00 C ATOM 771 C PRO A 51 9.974 4.429 9.327 1.00 0.00 C ATOM 772 O PRO A 51 9.370 3.407 8.977 1.00 0.00 O ATOM 773 CB PRO A 51 8.300 6.318 9.471 1.00 0.00 C ATOM 774 CG PRO A 51 7.178 5.907 8.526 1.00 0.00 C ATOM 775 CD PRO A 51 7.832 5.864 7.148 1.00 0.00 C ATOM 0 HA PRO A 51 10.407 6.470 8.987 1.00 0.00 H new ATOM 0 HB2 PRO A 51 8.169 5.879 10.460 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.332 7.399 9.604 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.765 4.936 8.799 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.356 6.622 8.552 1.00 0.00 H new ATOM 0 HD2 PRO A 51 7.439 5.037 6.557 1.00 0.00 H new ATOM 0 HD3 PRO A 51 7.627 6.779 6.592 1.00 0.00 H new ATOM 783 N ALA A 52 10.916 4.423 10.273 1.00 0.00 N ATOM 784 CA ALA A 52 11.458 3.234 10.920 1.00 0.00 C ATOM 785 C ALA A 52 10.373 2.335 11.541 1.00 0.00 C ATOM 786 O ALA A 52 10.620 1.168 11.860 1.00 0.00 O ATOM 787 CB ALA A 52 12.480 3.667 11.978 1.00 0.00 C ATOM 0 H ALA A 52 11.337 5.284 10.621 1.00 0.00 H new ATOM 0 HA ALA A 52 11.941 2.628 10.154 1.00 0.00 H new ATOM 0 HB1 ALA A 52 12.892 2.785 12.468 1.00 0.00 H new ATOM 0 HB2 ALA A 52 13.285 4.225 11.500 1.00 0.00 H new ATOM 0 HB3 ALA A 52 11.991 4.299 12.719 1.00 0.00 H new ATOM 793 N LYS A 53 9.168 2.857 11.760 1.00 0.00 N ATOM 794 CA LYS A 53 8.051 2.112 12.315 1.00 0.00 C ATOM 795 C LYS A 53 7.446 1.184 11.264 1.00 0.00 C ATOM 796 O LYS A 53 7.263 -0.004 11.526 1.00 0.00 O ATOM 797 CB LYS A 53 6.951 3.081 12.787 1.00 0.00 C ATOM 798 CG LYS A 53 7.364 4.109 13.852 1.00 0.00 C ATOM 799 CD LYS A 53 7.859 3.534 15.187 1.00 0.00 C ATOM 800 CE LYS A 53 6.747 3.099 16.154 1.00 0.00 C ATOM 801 NZ LYS A 53 6.036 1.879 15.723 1.00 0.00 N ATOM 0 H LYS A 53 8.941 3.829 11.551 1.00 0.00 H new ATOM 0 HA LYS A 53 8.426 1.525 13.154 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.574 3.620 11.918 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.122 2.493 13.182 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.151 4.737 13.436 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.511 4.757 14.052 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.499 2.676 14.982 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.479 4.282 15.681 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.180 2.929 17.140 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.028 3.912 16.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.684 1.369 16.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.235 2.141 15.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.688 1.266 15.193 1.00 0.00 H new ATOM 815 N LEU A 54 7.152 1.710 10.074 1.00 0.00 N ATOM 816 CA LEU A 54 6.502 1.011 8.957 1.00 0.00 C ATOM 817 C LEU A 54 7.348 0.044 8.121 1.00 0.00 C ATOM 818 O LEU A 54 6.864 -0.517 7.144 1.00 0.00 O ATOM 819 CB LEU A 54 5.829 2.079 8.085 1.00 0.00 C ATOM 820 CG LEU A 54 4.757 2.890 8.836 1.00 0.00 C ATOM 821 CD1 LEU A 54 4.071 3.839 7.853 1.00 0.00 C ATOM 822 CD2 LEU A 54 3.704 2.023 9.536 1.00 0.00 C ATOM 0 H LEU A 54 7.370 2.681 9.849 1.00 0.00 H new ATOM 0 HA LEU A 54 5.791 0.319 9.409 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.590 2.760 7.705 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.372 1.597 7.221 1.00 0.00 H new ATOM 0 HG LEU A 54 5.270 3.441 9.624 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.310 4.417 8.377 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.810 4.516 7.425 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.603 3.261 7.056 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.983 2.664 10.043 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.188 1.410 8.797 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.192 1.377 10.266 1.00 0.00 H new ATOM 834 N ARG A 55 8.602 -0.176 8.485 1.00 0.00 N ATOM 835 CA ARG A 55 9.566 -1.054 7.812 1.00 0.00 C ATOM 836 C ARG A 55 9.493 -2.499 8.299 1.00 0.00 C ATOM 837 O ARG A 55 10.527 -3.142 8.488 1.00 0.00 O ATOM 838 CB ARG A 55 10.978 -0.463 7.937 1.00 0.00 C ATOM 839 CG ARG A 55 11.460 -0.315 9.381 1.00 0.00 C ATOM 840 CD ARG A 55 12.741 -1.076 9.709 1.00 0.00 C ATOM 841 NE ARG A 55 13.280 -0.613 10.994 1.00 0.00 N ATOM 842 CZ ARG A 55 14.348 -1.104 11.626 1.00 0.00 C ATOM 843 NH1 ARG A 55 15.035 -2.129 11.131 1.00 0.00 N ATOM 844 NH2 ARG A 55 14.716 -0.551 12.776 1.00 0.00 N ATOM 0 H ARG A 55 9.004 0.277 9.306 1.00 0.00 H new ATOM 0 HA ARG A 55 9.302 -1.099 6.755 1.00 0.00 H new ATOM 0 HB2 ARG A 55 11.677 -1.099 7.394 1.00 0.00 H new ATOM 0 HB3 ARG A 55 10.996 0.515 7.456 1.00 0.00 H new ATOM 0 HG2 ARG A 55 11.619 0.743 9.589 1.00 0.00 H new ATOM 0 HG3 ARG A 55 10.670 -0.656 10.050 1.00 0.00 H new ATOM 0 HD2 ARG A 55 12.538 -2.146 9.754 1.00 0.00 H new ATOM 0 HD3 ARG A 55 13.477 -0.924 8.920 1.00 0.00 H new ATOM 0 HE ARG A 55 12.791 0.159 11.448 1.00 0.00 H new ATOM 0 HH11 ARG A 55 14.749 -2.557 10.250 1.00 0.00 H new ATOM 0 HH12 ARG A 55 15.848 -2.487 11.632 1.00 0.00 H new ATOM 0 HH21 ARG A 55 14.186 0.232 13.158 1.00 0.00 H new ATOM 0 HH22 ARG A 55 15.529 -0.909 13.277 1.00 0.00 H new ATOM 858 N HIS A 56 8.287 -2.983 8.590 1.00 0.00 N ATOM 859 CA HIS A 56 8.126 -4.368 9.047 1.00 0.00 C ATOM 860 C HIS A 56 8.756 -5.340 8.032 1.00 0.00 C ATOM 861 O HIS A 56 8.964 -4.982 6.876 1.00 0.00 O ATOM 862 CB HIS A 56 6.663 -4.728 9.337 1.00 0.00 C ATOM 863 CG HIS A 56 6.555 -5.815 10.381 1.00 0.00 C ATOM 864 ND1 HIS A 56 7.071 -5.784 11.662 1.00 0.00 N ATOM 865 CD2 HIS A 56 5.992 -7.046 10.196 1.00 0.00 C ATOM 866 CE1 HIS A 56 6.847 -6.988 12.217 1.00 0.00 C ATOM 867 NE2 HIS A 56 6.200 -7.795 11.361 1.00 0.00 N ATOM 0 H HIS A 56 7.420 -2.451 8.520 1.00 0.00 H new ATOM 0 HA HIS A 56 8.654 -4.463 9.996 1.00 0.00 H new ATOM 0 HB2 HIS A 56 6.130 -3.841 9.678 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.179 -5.057 8.417 1.00 0.00 H new ATOM 0 HD2 HIS A 56 5.477 -7.382 9.308 1.00 0.00 H new ATOM 0 HE1 HIS A 56 7.147 -7.268 13.216 1.00 0.00 H new ATOM 0 HE2 HIS A 56 5.917 -8.761 11.526 1.00 0.00 H new ATOM 875 N GLU A 57 9.035 -6.571 8.464 1.00 0.00 N ATOM 876 CA GLU A 57 9.665 -7.657 7.704 1.00 0.00 C ATOM 877 C GLU A 57 9.183 -7.826 6.256 1.00 0.00 C ATOM 878 O GLU A 57 9.992 -8.153 5.387 1.00 0.00 O ATOM 879 CB GLU A 57 9.514 -8.972 8.490 1.00 0.00 C ATOM 880 CG GLU A 57 10.224 -8.983 9.852 1.00 0.00 C ATOM 881 CD GLU A 57 11.745 -9.090 9.702 1.00 0.00 C ATOM 882 OE1 GLU A 57 12.286 -10.226 9.767 1.00 0.00 O ATOM 883 OE2 GLU A 57 12.390 -8.027 9.522 1.00 0.00 O ATOM 0 H GLU A 57 8.813 -6.857 9.418 1.00 0.00 H new ATOM 0 HA GLU A 57 10.713 -7.378 7.598 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.453 -9.168 8.646 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.904 -9.790 7.884 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.976 -8.073 10.398 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.858 -9.821 10.446 1.00 0.00 H new ATOM 890 N GLN A 58 7.909 -7.575 5.958 1.00 0.00 N ATOM 891 CA GLN A 58 7.349 -7.701 4.622 1.00 0.00 C ATOM 892 C GLN A 58 6.228 -6.699 4.479 1.00 0.00 C ATOM 893 O GLN A 58 5.326 -6.658 5.316 1.00 0.00 O ATOM 894 CB GLN A 58 6.859 -9.140 4.429 1.00 0.00 C ATOM 895 CG GLN A 58 6.085 -9.396 3.144 1.00 0.00 C ATOM 896 CD GLN A 58 5.913 -10.903 3.001 1.00 0.00 C ATOM 897 OE1 GLN A 58 6.804 -11.579 2.505 1.00 0.00 O ATOM 898 NE2 GLN A 58 4.830 -11.477 3.488 1.00 0.00 N ATOM 0 H GLN A 58 7.228 -7.273 6.655 1.00 0.00 H new ATOM 0 HA GLN A 58 8.094 -7.493 3.854 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.721 -9.806 4.453 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.226 -9.407 5.275 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.114 -8.901 3.177 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.621 -8.989 2.287 1.00 0.00 H new ATOM 0 HE21 GLN A 58 4.092 -10.906 3.900 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.731 -12.492 3.453 1.00 0.00 H new ATOM 907 N ILE A 59 6.266 -5.899 3.417 1.00 0.00 N ATOM 908 CA ILE A 59 5.265 -4.882 3.155 1.00 0.00 C ATOM 909 C ILE A 59 4.809 -4.965 1.685 1.00 0.00 C ATOM 910 O ILE A 59 5.459 -5.597 0.847 1.00 0.00 O ATOM 911 CB ILE A 59 5.778 -3.499 3.635 1.00 0.00 C ATOM 912 CG1 ILE A 59 6.554 -2.758 2.527 1.00 0.00 C ATOM 913 CG2 ILE A 59 6.621 -3.550 4.934 1.00 0.00 C ATOM 914 CD1 ILE A 59 7.048 -1.371 2.951 1.00 0.00 C ATOM 0 H ILE A 59 7.001 -5.943 2.711 1.00 0.00 H new ATOM 0 HA ILE A 59 4.358 -5.053 3.735 1.00 0.00 H new ATOM 0 HB ILE A 59 4.874 -2.939 3.874 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.409 -3.363 2.226 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.913 -2.655 1.652 1.00 0.00 H new ATOM 0 HG21 ILE A 59 6.940 -2.542 5.200 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.019 -3.966 5.742 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.498 -4.178 4.775 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.585 -0.907 2.124 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.196 -0.749 3.224 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.715 -1.469 3.807 1.00 0.00 H new ATOM 926 N ILE A 60 3.699 -4.306 1.355 1.00 0.00 N ATOM 927 CA ILE A 60 3.088 -4.275 0.024 1.00 0.00 C ATOM 928 C ILE A 60 2.708 -2.837 -0.336 1.00 0.00 C ATOM 929 O ILE A 60 2.026 -2.180 0.453 1.00 0.00 O ATOM 930 CB ILE A 60 1.846 -5.201 0.024 1.00 0.00 C ATOM 931 CG1 ILE A 60 2.217 -6.689 0.257 1.00 0.00 C ATOM 932 CG2 ILE A 60 1.106 -5.049 -1.309 1.00 0.00 C ATOM 933 CD1 ILE A 60 1.562 -7.269 1.509 1.00 0.00 C ATOM 0 H ILE A 60 3.177 -3.755 2.037 1.00 0.00 H new ATOM 0 HA ILE A 60 3.793 -4.632 -0.726 1.00 0.00 H new ATOM 0 HB ILE A 60 1.204 -4.899 0.852 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.915 -7.275 -0.611 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.300 -6.780 0.342 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.231 -5.698 -1.315 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.790 -4.013 -1.434 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.770 -5.327 -2.127 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.856 -8.312 1.623 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.884 -6.703 2.383 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.478 -7.206 1.415 1.00 0.00 H new ATOM 945 N PHE A 61 3.218 -2.295 -1.444 1.00 0.00 N ATOM 946 CA PHE A 61 2.898 -0.943 -1.887 1.00 0.00 C ATOM 947 C PHE A 61 1.747 -1.054 -2.897 1.00 0.00 C ATOM 948 O PHE A 61 1.671 -2.020 -3.665 1.00 0.00 O ATOM 949 CB PHE A 61 4.113 -0.292 -2.563 1.00 0.00 C ATOM 950 CG PHE A 61 5.310 -0.009 -1.675 1.00 0.00 C ATOM 951 CD1 PHE A 61 5.169 0.811 -0.540 1.00 0.00 C ATOM 952 CD2 PHE A 61 6.589 -0.471 -2.043 1.00 0.00 C ATOM 953 CE1 PHE A 61 6.300 1.199 0.199 1.00 0.00 C ATOM 954 CE2 PHE A 61 7.719 -0.076 -1.306 1.00 0.00 C ATOM 955 CZ PHE A 61 7.576 0.770 -0.196 1.00 0.00 C ATOM 0 H PHE A 61 3.867 -2.786 -2.059 1.00 0.00 H new ATOM 0 HA PHE A 61 2.618 -0.325 -1.034 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.438 -0.939 -3.378 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.791 0.648 -3.012 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.188 1.144 -0.235 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.701 -1.129 -2.892 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.187 1.827 1.070 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.700 -0.425 -1.595 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.448 1.091 0.354 1.00 0.00 H new ATOM 965 N HIS A 62 0.869 -0.056 -2.935 1.00 0.00 N ATOM 966 CA HIS A 62 -0.274 0.003 -3.835 1.00 0.00 C ATOM 967 C HIS A 62 -0.543 1.467 -4.228 1.00 0.00 C ATOM 968 O HIS A 62 0.061 2.382 -3.671 1.00 0.00 O ATOM 969 CB HIS A 62 -1.473 -0.674 -3.144 1.00 0.00 C ATOM 970 CG HIS A 62 -2.157 0.114 -2.063 1.00 0.00 C ATOM 971 ND1 HIS A 62 -1.829 1.383 -1.627 1.00 0.00 N ATOM 972 CD2 HIS A 62 -3.252 -0.313 -1.359 1.00 0.00 C ATOM 973 CE1 HIS A 62 -2.718 1.725 -0.689 1.00 0.00 C ATOM 974 NE2 HIS A 62 -3.562 0.710 -0.468 1.00 0.00 N ATOM 0 H HIS A 62 0.937 0.756 -2.322 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.082 -0.536 -4.763 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.212 -0.920 -3.907 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -1.132 -1.616 -2.715 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -1.052 1.954 -1.959 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -3.770 -1.254 -1.473 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -2.750 2.679 -0.184 1.00 0.00 H new ATOM 982 N CYS A 63 -1.447 1.740 -5.161 1.00 0.00 N ATOM 983 CA CYS A 63 -1.798 3.089 -5.616 1.00 0.00 C ATOM 984 C CYS A 63 -3.250 3.081 -6.092 1.00 0.00 C ATOM 985 O CYS A 63 -3.882 2.033 -5.990 1.00 0.00 O ATOM 986 CB CYS A 63 -0.876 3.467 -6.782 1.00 0.00 C ATOM 987 SG CYS A 63 -1.122 2.267 -8.129 1.00 0.00 S ATOM 0 H CYS A 63 -1.975 1.010 -5.639 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.681 3.810 -4.807 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -1.099 4.476 -7.129 1.00 0.00 H new ATOM 0 HB3 CYS A 63 0.165 3.464 -6.458 1.00 0.00 H new ATOM 0 HG CYS A 63 -0.349 2.573 -9.129 1.00 0.00 H new ATOM 993 N GLN A 64 -3.764 4.207 -6.616 1.00 0.00 N ATOM 994 CA GLN A 64 -5.128 4.307 -7.146 1.00 0.00 C ATOM 995 C GLN A 64 -5.312 3.159 -8.152 1.00 0.00 C ATOM 996 O GLN A 64 -6.129 2.259 -7.960 1.00 0.00 O ATOM 997 CB GLN A 64 -5.339 5.706 -7.761 1.00 0.00 C ATOM 998 CG GLN A 64 -6.604 5.809 -8.633 1.00 0.00 C ATOM 999 CD GLN A 64 -7.213 7.209 -8.591 1.00 0.00 C ATOM 1000 OE1 GLN A 64 -6.915 8.076 -9.416 1.00 0.00 O ATOM 1001 NE2 GLN A 64 -8.086 7.461 -7.632 1.00 0.00 N ATOM 0 H GLN A 64 -3.238 5.078 -6.683 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.885 4.204 -6.369 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.399 6.441 -6.959 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -4.469 5.964 -8.365 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.357 5.552 -9.663 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -7.341 5.082 -8.291 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -8.324 6.736 -6.956 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.522 8.381 -7.568 1.00 0.00 H new ATOM 1087 N SER A 70 5.411 0.481 -10.071 1.00 0.00 N ATOM 1088 CA SER A 70 6.460 -0.373 -10.607 1.00 0.00 C ATOM 1089 C SER A 70 7.641 0.440 -11.134 1.00 0.00 C ATOM 1090 O SER A 70 8.775 -0.041 -11.119 1.00 0.00 O ATOM 1091 CB SER A 70 5.881 -1.294 -11.692 1.00 0.00 C ATOM 1092 OG SER A 70 4.906 -0.660 -12.504 1.00 0.00 O ATOM 0 HA SER A 70 6.846 -0.990 -9.796 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.693 -1.654 -12.325 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.436 -2.168 -11.217 1.00 0.00 H new ATOM 0 HG SER A 70 4.586 0.152 -12.058 1.00 0.00 H new ATOM 1098 N ASN A 71 7.428 1.685 -11.560 1.00 0.00 N ATOM 1099 CA ASN A 71 8.501 2.524 -12.083 1.00 0.00 C ATOM 1100 C ASN A 71 9.483 2.932 -10.990 1.00 0.00 C ATOM 1101 O ASN A 71 10.685 2.810 -11.198 1.00 0.00 O ATOM 1102 CB ASN A 71 7.955 3.776 -12.776 1.00 0.00 C ATOM 1103 CG ASN A 71 7.266 3.493 -14.102 1.00 0.00 C ATOM 1104 OD1 ASN A 71 7.478 2.460 -14.734 1.00 0.00 O ATOM 1105 ND2 ASN A 71 6.462 4.427 -14.578 1.00 0.00 N ATOM 0 H ASN A 71 6.513 2.136 -11.552 1.00 0.00 H new ATOM 0 HA ASN A 71 9.031 1.921 -12.820 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.249 4.270 -12.109 1.00 0.00 H new ATOM 0 HB3 ASN A 71 8.776 4.473 -12.945 1.00 0.00 H new ATOM 0 HD21 ASN A 71 6.007 4.296 -15.482 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.296 5.279 -14.042 1.00 0.00 H new ATOM 1112 N ASN A 72 9.011 3.396 -9.826 1.00 0.00 N ATOM 1113 CA ASN A 72 9.879 3.835 -8.716 1.00 0.00 C ATOM 1114 C ASN A 72 10.459 2.686 -7.880 1.00 0.00 C ATOM 1115 O ASN A 72 11.150 2.946 -6.897 1.00 0.00 O ATOM 1116 CB ASN A 72 9.157 4.854 -7.812 1.00 0.00 C ATOM 1117 CG ASN A 72 9.526 6.287 -8.173 1.00 0.00 C ATOM 1118 OD1 ASN A 72 9.417 6.691 -9.325 1.00 0.00 O ATOM 1119 ND2 ASN A 72 9.927 7.103 -7.217 1.00 0.00 N ATOM 0 H ASN A 72 8.015 3.479 -9.623 1.00 0.00 H new ATOM 0 HA ASN A 72 10.732 4.319 -9.192 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.079 4.722 -7.903 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.415 4.663 -6.770 1.00 0.00 H new ATOM 0 HD21 ASN A 72 10.148 8.075 -7.435 1.00 0.00 H new ATOM 0 HD22 ASN A 72 10.016 6.762 -6.260 1.00 0.00 H new ATOM 1126 N ALA A 73 10.198 1.433 -8.260 1.00 0.00 N ATOM 1127 CA ALA A 73 10.618 0.197 -7.624 1.00 0.00 C ATOM 1128 C ALA A 73 12.089 0.139 -7.226 1.00 0.00 C ATOM 1129 O ALA A 73 12.399 -0.564 -6.272 1.00 0.00 O ATOM 1130 CB ALA A 73 10.256 -0.966 -8.548 1.00 0.00 C ATOM 0 H ALA A 73 9.639 1.249 -9.093 1.00 0.00 H new ATOM 0 HA ALA A 73 10.085 0.133 -6.675 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.563 -1.905 -8.088 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.179 -0.978 -8.713 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.768 -0.845 -9.503 1.00 0.00 H new ATOM 1136 N ASP A 74 12.990 0.842 -7.916 1.00 0.00 N ATOM 1137 CA ASP A 74 14.411 0.827 -7.573 1.00 0.00 C ATOM 1138 C ASP A 74 14.598 1.314 -6.140 1.00 0.00 C ATOM 1139 O ASP A 74 15.050 0.578 -5.259 1.00 0.00 O ATOM 1140 CB ASP A 74 15.209 1.709 -8.539 1.00 0.00 C ATOM 1141 CG ASP A 74 16.708 1.541 -8.298 1.00 0.00 C ATOM 1142 OD1 ASP A 74 17.238 2.072 -7.299 1.00 0.00 O ATOM 1143 OD2 ASP A 74 17.355 0.842 -9.111 1.00 0.00 O ATOM 0 H ASP A 74 12.758 1.429 -8.717 1.00 0.00 H new ATOM 0 HA ASP A 74 14.782 -0.195 -7.657 1.00 0.00 H new ATOM 0 HB2 ASP A 74 14.968 1.443 -9.568 1.00 0.00 H new ATOM 0 HB3 ASP A 74 14.927 2.753 -8.405 1.00 0.00 H new ATOM 1148 N LYS A 75 14.194 2.563 -5.916 1.00 0.00 N ATOM 1149 CA LYS A 75 14.285 3.229 -4.630 1.00 0.00 C ATOM 1150 C LYS A 75 13.220 2.705 -3.710 1.00 0.00 C ATOM 1151 O LYS A 75 13.498 2.544 -2.535 1.00 0.00 O ATOM 1152 CB LYS A 75 14.161 4.751 -4.733 1.00 0.00 C ATOM 1153 CG LYS A 75 14.891 5.332 -5.946 1.00 0.00 C ATOM 1154 CD LYS A 75 13.914 5.488 -7.124 1.00 0.00 C ATOM 1155 CE LYS A 75 13.154 6.817 -7.041 1.00 0.00 C ATOM 1156 NZ LYS A 75 14.024 8.005 -7.190 1.00 0.00 N ATOM 0 H LYS A 75 13.786 3.149 -6.644 1.00 0.00 H new ATOM 0 HA LYS A 75 15.277 3.012 -4.234 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.106 5.021 -4.788 1.00 0.00 H new ATOM 0 HB3 LYS A 75 14.559 5.204 -3.825 1.00 0.00 H new ATOM 0 HG2 LYS A 75 15.324 6.300 -5.691 1.00 0.00 H new ATOM 0 HG3 LYS A 75 15.716 4.679 -6.231 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.463 5.438 -8.064 1.00 0.00 H new ATOM 0 HD3 LYS A 75 13.205 4.660 -7.124 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.388 6.838 -7.817 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.638 6.872 -6.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.858 8.659 -6.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 15.021 7.708 -7.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.806 8.485 -8.087 1.00 0.00 H new ATOM 1170 N LEU A 76 12.006 2.450 -4.211 1.00 0.00 N ATOM 1171 CA LEU A 76 10.943 1.917 -3.347 1.00 0.00 C ATOM 1172 C LEU A 76 11.447 0.653 -2.653 1.00 0.00 C ATOM 1173 O LEU A 76 11.207 0.502 -1.454 1.00 0.00 O ATOM 1174 CB LEU A 76 9.613 1.704 -4.082 1.00 0.00 C ATOM 1175 CG LEU A 76 8.830 3.007 -4.313 1.00 0.00 C ATOM 1176 CD1 LEU A 76 7.648 2.763 -5.259 1.00 0.00 C ATOM 1177 CD2 LEU A 76 8.286 3.612 -3.009 1.00 0.00 C ATOM 0 H LEU A 76 11.738 2.599 -5.184 1.00 0.00 H new ATOM 0 HA LEU A 76 10.712 2.665 -2.588 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.809 1.231 -5.044 1.00 0.00 H new ATOM 0 HB3 LEU A 76 8.995 1.014 -3.508 1.00 0.00 H new ATOM 0 HG LEU A 76 9.537 3.711 -4.752 1.00 0.00 H new ATOM 0 HD11 LEU A 76 7.105 3.696 -5.411 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.018 2.398 -6.217 1.00 0.00 H new ATOM 0 HD13 LEU A 76 6.979 2.021 -4.822 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.742 4.530 -3.233 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.614 2.900 -2.530 1.00 0.00 H new ATOM 0 HD23 LEU A 76 9.115 3.836 -2.338 1.00 0.00 H new ATOM 1189 N ALA A 77 12.174 -0.215 -3.372 1.00 0.00 N ATOM 1190 CA ALA A 77 12.738 -1.412 -2.754 1.00 0.00 C ATOM 1191 C ALA A 77 13.709 -0.994 -1.638 1.00 0.00 C ATOM 1192 O ALA A 77 13.536 -1.421 -0.505 1.00 0.00 O ATOM 1193 CB ALA A 77 13.475 -2.282 -3.779 1.00 0.00 C ATOM 0 H ALA A 77 12.380 -0.109 -4.365 1.00 0.00 H new ATOM 0 HA ALA A 77 11.920 -2.003 -2.342 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.881 -3.163 -3.283 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.780 -2.593 -4.559 1.00 0.00 H new ATOM 0 HB3 ALA A 77 14.288 -1.709 -4.225 1.00 0.00 H new ATOM 1199 N ALA A 78 14.705 -0.152 -1.944 1.00 0.00 N ATOM 1200 CA ALA A 78 15.716 0.317 -0.991 1.00 0.00 C ATOM 1201 C ALA A 78 15.129 1.006 0.249 1.00 0.00 C ATOM 1202 O ALA A 78 15.542 0.710 1.371 1.00 0.00 O ATOM 1203 CB ALA A 78 16.698 1.242 -1.708 1.00 0.00 C ATOM 0 H ALA A 78 14.832 0.229 -2.881 1.00 0.00 H new ATOM 0 HA ALA A 78 16.232 -0.567 -0.616 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.450 1.592 -1.001 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.185 0.698 -2.517 1.00 0.00 H new ATOM 0 HB3 ALA A 78 16.160 2.097 -2.118 1.00 0.00 H new ATOM 1209 N ILE A 79 14.168 1.914 0.055 1.00 0.00 N ATOM 1210 CA ILE A 79 13.468 2.673 1.077 1.00 0.00 C ATOM 1211 C ILE A 79 12.964 1.696 2.147 1.00 0.00 C ATOM 1212 O ILE A 79 13.191 1.892 3.345 1.00 0.00 O ATOM 1213 CB ILE A 79 12.309 3.466 0.396 1.00 0.00 C ATOM 1214 CG1 ILE A 79 12.779 4.760 -0.308 1.00 0.00 C ATOM 1215 CG2 ILE A 79 11.232 3.871 1.412 1.00 0.00 C ATOM 1216 CD1 ILE A 79 11.827 5.302 -1.397 1.00 0.00 C ATOM 0 H ILE A 79 13.843 2.148 -0.883 1.00 0.00 H new ATOM 0 HA ILE A 79 14.121 3.395 1.567 1.00 0.00 H new ATOM 0 HB ILE A 79 11.909 2.779 -0.350 1.00 0.00 H new ATOM 0 HG12 ILE A 79 12.919 5.534 0.446 1.00 0.00 H new ATOM 0 HG13 ILE A 79 13.753 4.575 -0.760 1.00 0.00 H new ATOM 0 HG21 ILE A 79 10.441 4.421 0.903 1.00 0.00 H new ATOM 0 HG22 ILE A 79 10.813 2.977 1.874 1.00 0.00 H new ATOM 0 HG23 ILE A 79 11.677 4.503 2.181 1.00 0.00 H new ATOM 0 HD11 ILE A 79 12.247 6.210 -1.829 1.00 0.00 H new ATOM 0 HD12 ILE A 79 11.704 4.552 -2.179 1.00 0.00 H new ATOM 0 HD13 ILE A 79 10.857 5.526 -0.953 1.00 0.00 H new ATOM 1228 N ALA A 80 12.255 0.653 1.716 1.00 0.00 N ATOM 1229 CA ALA A 80 11.674 -0.349 2.590 1.00 0.00 C ATOM 1230 C ALA A 80 12.670 -1.398 3.104 1.00 0.00 C ATOM 1231 O ALA A 80 12.570 -1.776 4.275 1.00 0.00 O ATOM 1232 CB ALA A 80 10.562 -1.027 1.797 1.00 0.00 C ATOM 0 H ALA A 80 12.068 0.483 0.728 1.00 0.00 H new ATOM 0 HA ALA A 80 11.309 0.150 3.488 1.00 0.00 H new ATOM 0 HB1 ALA A 80 10.091 -1.793 2.413 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.817 -0.285 1.507 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.982 -1.488 0.903 1.00 0.00 H new ATOM 1238 N ALA A 81 13.630 -1.809 2.269 1.00 0.00 N ATOM 1239 CA ALA A 81 14.660 -2.807 2.540 1.00 0.00 C ATOM 1240 C ALA A 81 15.359 -2.608 3.895 1.00 0.00 C ATOM 1241 O ALA A 81 15.373 -1.485 4.413 1.00 0.00 O ATOM 1242 CB ALA A 81 15.673 -2.814 1.399 1.00 0.00 C ATOM 0 H ALA A 81 13.710 -1.427 1.327 1.00 0.00 H new ATOM 0 HA ALA A 81 14.165 -3.776 2.603 1.00 0.00 H new ATOM 0 HB1 ALA A 81 16.443 -3.559 1.600 1.00 0.00 H new ATOM 0 HB2 ALA A 81 15.167 -3.058 0.465 1.00 0.00 H new ATOM 0 HB3 ALA A 81 16.134 -1.830 1.315 1.00 0.00 H new ATOM 1248 N PRO A 82 16.013 -3.638 4.474 1.00 0.00 N ATOM 1249 CA PRO A 82 16.220 -5.022 4.003 1.00 0.00 C ATOM 1250 C PRO A 82 14.982 -5.929 4.054 1.00 0.00 C ATOM 1251 O PRO A 82 15.118 -7.145 3.943 1.00 0.00 O ATOM 1252 CB PRO A 82 17.336 -5.563 4.902 1.00 0.00 C ATOM 1253 CG PRO A 82 17.083 -4.849 6.222 1.00 0.00 C ATOM 1254 CD PRO A 82 16.733 -3.453 5.726 1.00 0.00 C ATOM 0 HA PRO A 82 16.466 -5.015 2.941 1.00 0.00 H new ATOM 0 HB2 PRO A 82 17.278 -6.646 5.011 1.00 0.00 H new ATOM 0 HB3 PRO A 82 18.324 -5.335 4.502 1.00 0.00 H new ATOM 0 HG2 PRO A 82 16.270 -5.303 6.788 1.00 0.00 H new ATOM 0 HG3 PRO A 82 17.961 -4.850 6.868 1.00 0.00 H new ATOM 0 HD2 PRO A 82 16.119 -2.923 6.454 1.00 0.00 H new ATOM 0 HD3 PRO A 82 17.633 -2.857 5.574 1.00 0.00 H new ATOM 1262 N ALA A 83 13.811 -5.357 4.308 1.00 0.00 N ATOM 1263 CA ALA A 83 12.556 -6.082 4.380 1.00 0.00 C ATOM 1264 C ALA A 83 12.030 -6.347 2.962 1.00 0.00 C ATOM 1265 O ALA A 83 12.573 -5.821 1.987 1.00 0.00 O ATOM 1266 CB ALA A 83 11.593 -5.270 5.243 1.00 0.00 C ATOM 0 H ALA A 83 13.709 -4.355 4.472 1.00 0.00 H new ATOM 0 HA ALA A 83 12.679 -7.060 4.845 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.639 -5.793 5.314 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.014 -5.146 6.241 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.437 -4.291 4.791 1.00 0.00 H new ATOM 1272 N GLU A 84 10.966 -7.143 2.839 1.00 0.00 N ATOM 1273 CA GLU A 84 10.356 -7.512 1.563 1.00 0.00 C ATOM 1274 C GLU A 84 9.342 -6.491 1.051 1.00 0.00 C ATOM 1275 O GLU A 84 8.650 -5.857 1.851 1.00 0.00 O ATOM 1276 CB GLU A 84 9.704 -8.899 1.701 1.00 0.00 C ATOM 1277 CG GLU A 84 10.670 -9.990 1.241 1.00 0.00 C ATOM 1278 CD GLU A 84 10.764 -10.059 -0.283 1.00 0.00 C ATOM 1279 OE1 GLU A 84 10.869 -11.184 -0.828 1.00 0.00 O ATOM 1280 OE2 GLU A 84 10.813 -8.998 -0.948 1.00 0.00 O ATOM 0 H GLU A 84 10.495 -7.558 3.643 1.00 0.00 H new ATOM 0 HA GLU A 84 11.152 -7.535 0.818 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.418 -9.072 2.738 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.791 -8.939 1.107 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.659 -9.799 1.658 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.341 -10.954 1.629 1.00 0.00 H new ATOM 1287 N ILE A 85 9.194 -6.388 -0.278 1.00 0.00 N ATOM 1288 CA ILE A 85 8.293 -5.454 -0.950 1.00 0.00 C ATOM 1289 C ILE A 85 7.567 -6.060 -2.159 1.00 0.00 C ATOM 1290 O ILE A 85 8.205 -6.552 -3.094 1.00 0.00 O ATOM 1291 CB ILE A 85 9.057 -4.187 -1.406 1.00 0.00 C ATOM 1292 CG1 ILE A 85 10.491 -4.437 -1.937 1.00 0.00 C ATOM 1293 CG2 ILE A 85 8.997 -3.115 -0.317 1.00 0.00 C ATOM 1294 CD1 ILE A 85 11.600 -4.421 -0.871 1.00 0.00 C ATOM 0 H ILE A 85 9.716 -6.973 -0.930 1.00 0.00 H new ATOM 0 HA ILE A 85 7.535 -5.198 -0.210 1.00 0.00 H new ATOM 0 HB ILE A 85 8.535 -3.817 -2.288 1.00 0.00 H new ATOM 0 HG12 ILE A 85 10.510 -5.402 -2.443 1.00 0.00 H new ATOM 0 HG13 ILE A 85 10.720 -3.680 -2.687 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.538 -2.229 -0.649 1.00 0.00 H new ATOM 0 HG22 ILE A 85 7.957 -2.854 -0.121 1.00 0.00 H new ATOM 0 HG23 ILE A 85 9.453 -3.498 0.596 1.00 0.00 H new ATOM 0 HD11 ILE A 85 12.564 -4.606 -1.346 1.00 0.00 H new ATOM 0 HD12 ILE A 85 11.618 -3.448 -0.379 1.00 0.00 H new ATOM 0 HD13 ILE A 85 11.405 -5.198 -0.131 1.00 0.00 H new ATOM 1306 N PHE A 86 6.239 -5.901 -2.229 1.00 0.00 N ATOM 1307 CA PHE A 86 5.386 -6.389 -3.326 1.00 0.00 C ATOM 1308 C PHE A 86 4.612 -5.220 -3.959 1.00 0.00 C ATOM 1309 O PHE A 86 4.597 -4.125 -3.381 1.00 0.00 O ATOM 1310 CB PHE A 86 4.436 -7.482 -2.824 1.00 0.00 C ATOM 1311 CG PHE A 86 5.130 -8.721 -2.304 1.00 0.00 C ATOM 1312 CD1 PHE A 86 5.478 -8.838 -0.946 1.00 0.00 C ATOM 1313 CD2 PHE A 86 5.431 -9.765 -3.196 1.00 0.00 C ATOM 1314 CE1 PHE A 86 6.128 -10.001 -0.497 1.00 0.00 C ATOM 1315 CE2 PHE A 86 6.045 -10.941 -2.733 1.00 0.00 C ATOM 1316 CZ PHE A 86 6.396 -11.057 -1.381 1.00 0.00 C ATOM 0 H PHE A 86 5.711 -5.415 -1.504 1.00 0.00 H new ATOM 0 HA PHE A 86 6.020 -6.830 -4.096 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.813 -7.069 -2.031 1.00 0.00 H new ATOM 0 HB3 PHE A 86 3.769 -7.768 -3.637 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.248 -8.041 -0.254 1.00 0.00 H new ATOM 0 HD2 PHE A 86 5.189 -9.663 -4.244 1.00 0.00 H new ATOM 0 HE1 PHE A 86 6.424 -10.082 0.538 1.00 0.00 H new ATOM 0 HE2 PHE A 86 6.246 -11.753 -3.417 1.00 0.00 H new ATOM 0 HZ PHE A 86 6.872 -11.957 -1.021 1.00 0.00 H new ATOM 1326 N LEU A 87 3.995 -5.442 -5.133 1.00 0.00 N ATOM 1327 CA LEU A 87 3.224 -4.421 -5.861 1.00 0.00 C ATOM 1328 C LEU A 87 1.850 -4.907 -6.324 1.00 0.00 C ATOM 1329 O LEU A 87 1.756 -5.820 -7.151 1.00 0.00 O ATOM 1330 CB LEU A 87 4.011 -3.922 -7.081 1.00 0.00 C ATOM 1331 CG LEU A 87 5.105 -2.906 -6.749 1.00 0.00 C ATOM 1332 CD1 LEU A 87 5.928 -2.663 -8.014 1.00 0.00 C ATOM 1333 CD2 LEU A 87 4.478 -1.586 -6.298 1.00 0.00 C ATOM 0 H LEU A 87 4.018 -6.345 -5.607 1.00 0.00 H new ATOM 0 HA LEU A 87 3.061 -3.611 -5.150 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.465 -4.778 -7.581 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.315 -3.471 -7.789 1.00 0.00 H new ATOM 0 HG LEU A 87 5.734 -3.289 -5.946 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.716 -1.940 -7.802 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.375 -3.601 -8.343 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.281 -2.274 -8.800 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.266 -0.870 -6.064 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.852 -1.189 -7.097 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.868 -1.757 -5.411 1.00 0.00 H new ATOM 1345 N LEU A 88 0.795 -4.271 -5.794 1.00 0.00 N ATOM 1346 CA LEU A 88 -0.614 -4.543 -6.084 1.00 0.00 C ATOM 1347 C LEU A 88 -0.925 -4.053 -7.504 1.00 0.00 C ATOM 1348 O LEU A 88 -1.206 -2.872 -7.707 1.00 0.00 O ATOM 1349 CB LEU A 88 -1.489 -3.831 -5.033 1.00 0.00 C ATOM 1350 CG LEU A 88 -2.992 -4.158 -5.164 1.00 0.00 C ATOM 1351 CD1 LEU A 88 -3.313 -5.527 -4.565 1.00 0.00 C ATOM 1352 CD2 LEU A 88 -3.831 -3.106 -4.436 1.00 0.00 C ATOM 0 H LEU A 88 0.911 -3.516 -5.118 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.826 -5.611 -6.033 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.149 -4.113 -4.037 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.350 -2.754 -5.124 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.232 -4.162 -6.227 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.379 -5.730 -4.672 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.743 -6.295 -5.087 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.047 -5.533 -3.508 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.888 -3.350 -4.537 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.561 -3.093 -3.380 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.642 -2.125 -4.871 1.00 0.00 H new ATOM 1364 N GLU A 89 -0.915 -4.968 -8.472 1.00 0.00 N ATOM 1365 CA GLU A 89 -1.150 -4.688 -9.887 1.00 0.00 C ATOM 1366 C GLU A 89 -2.445 -3.934 -10.201 1.00 0.00 C ATOM 1367 O GLU A 89 -2.408 -2.901 -10.867 1.00 0.00 O ATOM 1368 CB GLU A 89 -1.157 -6.010 -10.682 1.00 0.00 C ATOM 1369 CG GLU A 89 -0.900 -5.755 -12.180 1.00 0.00 C ATOM 1370 CD GLU A 89 -1.114 -6.989 -13.063 1.00 0.00 C ATOM 1371 OE1 GLU A 89 -0.880 -8.127 -12.590 1.00 0.00 O ATOM 1372 OE2 GLU A 89 -1.520 -6.819 -14.233 1.00 0.00 O ATOM 0 H GLU A 89 -0.738 -5.955 -8.287 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.333 -4.029 -10.181 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -0.393 -6.680 -10.287 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.117 -6.510 -10.554 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.559 -4.957 -12.521 1.00 0.00 H new ATOM 0 HG3 GLU A 89 0.123 -5.401 -12.308 1.00 0.00 H new ATOM 1379 N ASP A 90 -3.575 -4.460 -9.734 1.00 0.00 N ATOM 1380 CA ASP A 90 -4.922 -3.940 -9.976 1.00 0.00 C ATOM 1381 C ASP A 90 -5.291 -2.637 -9.256 1.00 0.00 C ATOM 1382 O ASP A 90 -6.360 -2.076 -9.509 1.00 0.00 O ATOM 1383 CB ASP A 90 -5.907 -5.062 -9.635 1.00 0.00 C ATOM 1384 CG ASP A 90 -7.186 -4.961 -10.449 1.00 0.00 C ATOM 1385 OD1 ASP A 90 -7.116 -5.197 -11.678 1.00 0.00 O ATOM 1386 OD2 ASP A 90 -8.266 -4.710 -9.869 1.00 0.00 O ATOM 0 H ASP A 90 -3.579 -5.297 -9.151 1.00 0.00 H new ATOM 0 HA ASP A 90 -4.966 -3.648 -11.025 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -5.435 -6.027 -9.819 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.149 -5.022 -8.573 1.00 0.00 H new ATOM 1391 N GLY A 91 -4.416 -2.141 -8.375 1.00 0.00 N ATOM 1392 CA GLY A 91 -4.623 -0.910 -7.618 1.00 0.00 C ATOM 1393 C GLY A 91 -5.627 -1.068 -6.471 1.00 0.00 C ATOM 1394 O GLY A 91 -6.344 -2.067 -6.368 1.00 0.00 O ATOM 0 H GLY A 91 -3.527 -2.596 -8.167 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -3.668 -0.575 -7.213 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.973 -0.130 -8.294 1.00 0.00 H new ATOM 1398 N ILE A 92 -5.662 -0.077 -5.575 1.00 0.00 N ATOM 1399 CA ILE A 92 -6.539 -0.004 -4.400 1.00 0.00 C ATOM 1400 C ILE A 92 -8.003 0.019 -4.844 1.00 0.00 C ATOM 1401 O ILE A 92 -8.898 -0.357 -4.092 1.00 0.00 O ATOM 1402 CB ILE A 92 -6.142 1.218 -3.538 1.00 0.00 C ATOM 1403 CG1 ILE A 92 -6.609 1.101 -2.072 1.00 0.00 C ATOM 1404 CG2 ILE A 92 -6.527 2.559 -4.183 1.00 0.00 C ATOM 1405 CD1 ILE A 92 -7.896 1.828 -1.680 1.00 0.00 C ATOM 0 H ILE A 92 -5.051 0.736 -5.652 1.00 0.00 H new ATOM 0 HA ILE A 92 -6.418 -0.889 -3.775 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.053 1.209 -3.502 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -6.738 0.043 -1.844 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -5.807 1.470 -1.433 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -6.222 3.377 -3.531 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -6.026 2.657 -5.146 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.606 2.595 -4.331 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -8.102 1.658 -0.623 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.780 2.897 -1.860 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -8.725 1.448 -2.277 1.00 0.00 H new ATOM 1417 N ASP A 93 -8.258 0.411 -6.093 1.00 0.00 N ATOM 1418 CA ASP A 93 -9.590 0.466 -6.683 1.00 0.00 C ATOM 1419 C ASP A 93 -10.280 -0.909 -6.605 1.00 0.00 C ATOM 1420 O ASP A 93 -11.495 -1.003 -6.422 1.00 0.00 O ATOM 1421 CB ASP A 93 -9.451 0.946 -8.134 1.00 0.00 C ATOM 1422 CG ASP A 93 -10.798 1.293 -8.753 1.00 0.00 C ATOM 1423 OD1 ASP A 93 -11.639 1.923 -8.070 1.00 0.00 O ATOM 1424 OD2 ASP A 93 -11.004 1.046 -9.961 1.00 0.00 O ATOM 0 H ASP A 93 -7.523 0.706 -6.736 1.00 0.00 H new ATOM 0 HA ASP A 93 -10.218 1.164 -6.129 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -8.802 1.821 -8.165 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -8.969 0.170 -8.728 1.00 0.00 H new ATOM 1429 N GLY A 94 -9.495 -1.991 -6.668 1.00 0.00 N ATOM 1430 CA GLY A 94 -9.984 -3.360 -6.595 1.00 0.00 C ATOM 1431 C GLY A 94 -10.177 -3.850 -5.152 1.00 0.00 C ATOM 1432 O GLY A 94 -10.792 -4.898 -4.945 1.00 0.00 O ATOM 0 H GLY A 94 -8.482 -1.931 -6.773 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -10.933 -3.430 -7.127 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.282 -4.019 -7.106 1.00 0.00 H new ATOM 1436 N TRP A 95 -9.696 -3.112 -4.138 1.00 0.00 N ATOM 1437 CA TRP A 95 -9.826 -3.455 -2.713 1.00 0.00 C ATOM 1438 C TRP A 95 -11.326 -3.574 -2.415 1.00 0.00 C ATOM 1439 O TRP A 95 -11.829 -4.613 -1.977 1.00 0.00 O ATOM 1440 CB TRP A 95 -9.112 -2.397 -1.846 1.00 0.00 C ATOM 1441 CG TRP A 95 -8.834 -2.787 -0.429 1.00 0.00 C ATOM 1442 CD1 TRP A 95 -9.641 -2.583 0.636 1.00 0.00 C ATOM 1443 CD2 TRP A 95 -7.647 -3.450 0.096 1.00 0.00 C ATOM 1444 NE1 TRP A 95 -9.058 -3.117 1.769 1.00 0.00 N ATOM 1445 CE2 TRP A 95 -7.847 -3.719 1.482 1.00 0.00 C ATOM 1446 CE3 TRP A 95 -6.413 -3.846 -0.463 1.00 0.00 C ATOM 1447 CZ2 TRP A 95 -6.906 -4.435 2.243 1.00 0.00 C ATOM 1448 CZ3 TRP A 95 -5.456 -4.539 0.304 1.00 0.00 C ATOM 1449 CH2 TRP A 95 -5.709 -4.861 1.645 1.00 0.00 C ATOM 0 H TRP A 95 -9.193 -2.238 -4.291 1.00 0.00 H new ATOM 0 HA TRP A 95 -9.345 -4.403 -2.474 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -8.166 -2.143 -2.324 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -9.719 -1.492 -1.840 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -10.596 -2.079 0.606 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -9.470 -3.073 2.701 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -6.199 -3.614 -1.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -7.103 -4.656 3.282 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -4.517 -4.825 -0.146 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -4.989 -5.432 2.213 1.00 0.00 H new ATOM 1460 N LYS A 96 -12.065 -2.504 -2.729 1.00 0.00 N ATOM 1461 CA LYS A 96 -13.511 -2.422 -2.559 1.00 0.00 C ATOM 1462 C LYS A 96 -14.202 -3.486 -3.393 1.00 0.00 C ATOM 1463 O LYS A 96 -15.072 -4.185 -2.877 1.00 0.00 O ATOM 1464 CB LYS A 96 -13.999 -1.048 -3.031 1.00 0.00 C ATOM 1465 CG LYS A 96 -14.025 -0.040 -1.883 1.00 0.00 C ATOM 1466 CD LYS A 96 -14.351 1.371 -2.389 1.00 0.00 C ATOM 1467 CE LYS A 96 -15.840 1.743 -2.323 1.00 0.00 C ATOM 1468 NZ LYS A 96 -16.722 0.805 -3.044 1.00 0.00 N ATOM 0 H LYS A 96 -11.659 -1.653 -3.118 1.00 0.00 H new ATOM 0 HA LYS A 96 -13.747 -2.573 -1.506 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.347 -0.682 -3.824 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -14.998 -1.142 -3.457 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -14.767 -0.345 -1.145 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -13.058 -0.034 -1.379 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -13.783 2.094 -1.803 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.013 1.460 -3.421 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -16.148 1.786 -1.278 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -15.974 2.743 -2.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -17.698 1.164 -3.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -16.402 0.716 -4.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -16.688 -0.127 -2.583 1.00 0.00 H new ATOM 1482 N LYS A 97 -13.806 -3.630 -4.663 1.00 0.00 N ATOM 1483 CA LYS A 97 -14.391 -4.599 -5.585 1.00 0.00 C ATOM 1484 C LYS A 97 -14.372 -6.019 -5.019 1.00 0.00 C ATOM 1485 O LYS A 97 -15.346 -6.750 -5.189 1.00 0.00 O ATOM 1486 CB LYS A 97 -13.699 -4.492 -6.947 1.00 0.00 C ATOM 1487 CG LYS A 97 -14.482 -5.238 -8.036 1.00 0.00 C ATOM 1488 CD LYS A 97 -13.976 -4.868 -9.434 1.00 0.00 C ATOM 1489 CE LYS A 97 -14.372 -3.451 -9.877 1.00 0.00 C ATOM 1490 NZ LYS A 97 -15.771 -3.372 -10.352 1.00 0.00 N ATOM 0 H LYS A 97 -13.063 -3.069 -5.080 1.00 0.00 H new ATOM 0 HA LYS A 97 -15.446 -4.361 -5.722 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -13.599 -3.443 -7.224 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -12.691 -4.901 -6.877 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -14.386 -6.313 -7.885 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -15.542 -4.998 -7.955 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -12.890 -4.955 -9.453 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -14.366 -5.587 -10.154 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -14.236 -2.763 -9.043 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -13.703 -3.123 -10.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -15.986 -2.396 -10.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -15.898 -4.007 -11.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -16.414 -3.658 -9.586 1.00 0.00 H new ATOM 1504 N ALA A 98 -13.299 -6.402 -4.326 1.00 0.00 N ATOM 1505 CA ALA A 98 -13.182 -7.722 -3.719 1.00 0.00 C ATOM 1506 C ALA A 98 -14.058 -7.855 -2.468 1.00 0.00 C ATOM 1507 O ALA A 98 -14.373 -8.966 -2.041 1.00 0.00 O ATOM 1508 CB ALA A 98 -11.725 -7.962 -3.343 1.00 0.00 C ATOM 0 H ALA A 98 -12.488 -5.803 -4.171 1.00 0.00 H new ATOM 0 HA ALA A 98 -13.523 -8.462 -4.443 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -11.624 -8.947 -2.887 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -11.105 -7.911 -4.238 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.402 -7.200 -2.634 1.00 0.00 H new ATOM 1514 N GLY A 99 -14.455 -6.730 -1.872 1.00 0.00 N ATOM 1515 CA GLY A 99 -15.281 -6.648 -0.678 1.00 0.00 C ATOM 1516 C GLY A 99 -14.459 -6.418 0.583 1.00 0.00 C ATOM 1517 O GLY A 99 -15.017 -6.531 1.678 1.00 0.00 O ATOM 0 H GLY A 99 -14.194 -5.811 -2.229 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.000 -5.837 -0.792 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -15.854 -7.569 -0.572 1.00 0.00 H new ATOM 1521 N LEU A 100 -13.152 -6.152 0.470 1.00 0.00 N ATOM 1522 CA LEU A 100 -12.290 -5.924 1.629 1.00 0.00 C ATOM 1523 C LEU A 100 -12.781 -4.671 2.379 1.00 0.00 C ATOM 1524 O LEU A 100 -13.378 -3.784 1.760 1.00 0.00 O ATOM 1525 CB LEU A 100 -10.823 -5.783 1.199 1.00 0.00 C ATOM 1526 CG LEU A 100 -10.190 -7.036 0.567 1.00 0.00 C ATOM 1527 CD1 LEU A 100 -8.825 -6.702 -0.043 1.00 0.00 C ATOM 1528 CD2 LEU A 100 -10.024 -8.128 1.627 1.00 0.00 C ATOM 0 H LEU A 100 -12.667 -6.090 -0.425 1.00 0.00 H new ATOM 0 HA LEU A 100 -12.344 -6.782 2.300 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.750 -4.962 0.486 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.233 -5.501 2.071 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.850 -7.393 -0.224 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.394 -7.601 -0.485 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.947 -5.942 -0.814 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.161 -6.326 0.735 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -9.576 -9.011 1.172 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.379 -7.764 2.426 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.000 -8.387 2.038 1.00 0.00 H new ATOM 1540 N PRO A 101 -12.558 -4.579 3.700 1.00 0.00 N ATOM 1541 CA PRO A 101 -12.998 -3.457 4.523 1.00 0.00 C ATOM 1542 C PRO A 101 -12.207 -2.172 4.268 1.00 0.00 C ATOM 1543 O PRO A 101 -11.167 -2.177 3.605 1.00 0.00 O ATOM 1544 CB PRO A 101 -12.884 -3.953 5.968 1.00 0.00 C ATOM 1545 CG PRO A 101 -11.744 -4.963 5.904 1.00 0.00 C ATOM 1546 CD PRO A 101 -11.858 -5.563 4.503 1.00 0.00 C ATOM 0 HA PRO A 101 -14.020 -3.167 4.280 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -12.661 -3.138 6.656 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -13.811 -4.414 6.309 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -10.777 -4.483 6.055 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -11.844 -5.727 6.675 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.872 -5.775 4.088 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -12.403 -6.506 4.526 1.00 0.00 H new ATOM 1554 N VAL A 102 -12.711 -1.065 4.816 1.00 0.00 N ATOM 1555 CA VAL A 102 -12.138 0.269 4.702 1.00 0.00 C ATOM 1556 C VAL A 102 -12.317 1.042 6.013 1.00 0.00 C ATOM 1557 O VAL A 102 -13.244 0.803 6.790 1.00 0.00 O ATOM 1558 CB VAL A 102 -12.780 1.057 3.541 1.00 0.00 C ATOM 1559 CG1 VAL A 102 -12.187 0.678 2.178 1.00 0.00 C ATOM 1560 CG2 VAL A 102 -14.302 0.908 3.494 1.00 0.00 C ATOM 0 H VAL A 102 -13.565 -1.079 5.374 1.00 0.00 H new ATOM 0 HA VAL A 102 -11.074 0.155 4.494 1.00 0.00 H new ATOM 0 HB VAL A 102 -12.545 2.102 3.745 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -12.673 1.261 1.395 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -11.117 0.888 2.176 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -12.349 -0.384 1.993 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -14.698 1.484 2.658 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -14.561 -0.143 3.366 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -14.733 1.277 4.425 1.00 0.00 H new ATOM 1570 N ALA A 103 -11.412 1.990 6.228 1.00 0.00 N ATOM 1571 CA ALA A 103 -11.292 2.916 7.336 1.00 0.00 C ATOM 1572 C ALA A 103 -12.174 4.129 7.035 1.00 0.00 C ATOM 1573 O ALA A 103 -11.708 5.265 6.907 1.00 0.00 O ATOM 1574 CB ALA A 103 -9.819 3.310 7.509 1.00 0.00 C ATOM 0 H ALA A 103 -10.664 2.140 5.551 1.00 0.00 H new ATOM 0 HA ALA A 103 -11.623 2.464 8.271 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -9.724 4.007 8.342 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -9.225 2.419 7.712 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.460 3.785 6.596 1.00 0.00 H new