USER MOD reduce.3.24.130724 H: found=0, std=0, add=903, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 903 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 75 GLN : amide:sc= -0.0499 X(o=0.46,f=-0.024) USER MOD Set 1.2: A 88 LYS NZ :NH3+ -123:sc= 0.514 (180deg=-2.75!) USER MOD Set 2.1: A 25 GLN : amide:sc= 0.102 K(o=0.21,f=-1.2) USER MOD Set 2.2: A 78 LYS NZ :NH3+ 162:sc= 0.113 (180deg=0) USER MOD Set 3.1: A 70 HIS :FLIP no HD1:sc= -1.37 F(o=-1.5!,f=-0.31) USER MOD Set 3.2: A 74 CYS SG : rot -154:sc= -0.812 USER MOD Set 3.3: A 84 CYS SG : rot -150:sc= 1.87 USER MOD Set 4.1: A 45 HIS : no HD1:sc= -0.523 K(o=-1.1,f=-2.6!) USER MOD Set 4.2: A 49 CYS SG : rot 90:sc= -0.527 USER MOD Set 5.1: A 22 HIS :FLIP no HD1:sc= 0.72 F(o=-6.9!,f=-1.8) USER MOD Set 5.2: A 26 CYS SG : rot 143:sc= 0.0331 USER MOD Set 5.3: A 31 CYS SG : rot 141:sc= -0.297 USER MOD Set 5.4: A 36 CYS SG : rot 110:sc= -2.21! USER MOD Single : A 1 ALA N :NH3+ 140:sc= 0.067 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0684 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 SER OG : rot 180:sc= -0.144 USER MOD Single : A 8 SER OG : rot -124:sc= -0.0526 USER MOD Single : A 12 SER OG : rot -146:sc= 0.918 USER MOD Single : A 14 GLN : amide:sc= -1.57 X(o=-1.6,f=-1.8) USER MOD Single : A 18 GLN : amide:sc= -0.0163 K(o=-0.016,f=-1.3) USER MOD Single : A 19 SER OG : rot 89:sc= 0.199 USER MOD Single : A 28 ASN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 30 ASN : amide:sc=-0.00375 K(o=-0.0038,f=-0.89) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -1.6! USER MOD Single : A 37 GLN :FLIP amide:sc= -0.539 F(o=-1.2,f=-0.54) USER MOD Single : A 38 LYS NZ :NH3+ -149:sc= 0.593 (180deg=-0.65!) USER MOD Single : A 39 MET CE :methyl 178:sc= -6.08! (180deg=-6.21!) USER MOD Single : A 40 LYS NZ :NH3+ 150:sc= 1 (180deg=-1.32) USER MOD Single : A 44 GLN : amide:sc= -0.284 K(o=-0.28,f=-3.2!) USER MOD Single : A 46 THR OG1 : rot 90:sc= -2.32! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -172:sc= -2.11! (180deg=-2.3!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot -110:sc= -11.8! USER MOD Single : A 61 LYS NZ :NH3+ -147:sc= -0.013 (180deg=-0.719) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0.21) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0374) USER MOD Single : A 73 HIS : no HD1:sc= -0.245 X(o=-0.25,f=-0.17) USER MOD Single : A 77 ASN : amide:sc= 0.683 K(o=0.68,f=-0.012) USER MOD Single : A 79 CYS SG : rot -44:sc= -0.203 USER MOD Single : A 86 ASN : amide:sc= -0.161 K(o=-0.16,f=-4.9!) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 167:sc= -0.0292 (180deg=-0.212) USER MOD Single : B 1 LEU N :NH3+ -154:sc= -0.852 (180deg=-2.25!) USER MOD Single : B 3 SER OG : rot -2:sc= 0.415 USER MOD Single : B 4 GLN : amide:sc= 0.848 K(o=0.85,f=-8.3!) USER MOD Single : B 6 MET CE :methyl -174:sc= 0 (180deg=-0.0477) USER MOD Single : B 10 MET CE :methyl -160:sc= -3.53! (180deg=-4.68!) USER MOD Single : B 12 SER OG : rot 180:sc= 0.0424 USER MOD Single : B 18 GLN : amide:sc= 0.964 K(o=0.96,f=-0.47) USER MOD Single : B 21 THR OG1 : rot 20:sc= 1.09 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 18.330 -18.853 -0.373 1.00 0.00 N ATOM 2 CA ALA A 1 16.920 -18.686 -0.045 1.00 0.00 C ATOM 3 C ALA A 1 16.155 -18.283 -1.281 1.00 0.00 C ATOM 4 O ALA A 1 16.692 -17.594 -2.150 1.00 0.00 O ATOM 5 CB ALA A 1 16.743 -17.629 1.039 1.00 0.00 C ATOM 0 H1 ALA A 1 18.914 -18.468 0.397 1.00 0.00 H new ATOM 0 H2 ALA A 1 18.541 -19.864 -0.495 1.00 0.00 H new ATOM 0 H3 ALA A 1 18.543 -18.346 -1.256 1.00 0.00 H new ATOM 0 HA ALA A 1 16.534 -19.634 0.329 1.00 0.00 H new ATOM 0 HB1 ALA A 1 15.684 -17.519 1.270 1.00 0.00 H new ATOM 0 HB2 ALA A 1 17.280 -17.935 1.937 1.00 0.00 H new ATOM 0 HB3 ALA A 1 17.138 -16.676 0.686 1.00 0.00 H new ATOM 13 N THR A 2 14.932 -18.729 -1.371 1.00 0.00 N ATOM 14 CA THR A 2 14.068 -18.389 -2.464 1.00 0.00 C ATOM 15 C THR A 2 13.084 -17.315 -2.054 1.00 0.00 C ATOM 16 O THR A 2 13.052 -16.232 -2.630 1.00 0.00 O ATOM 17 CB THR A 2 13.292 -19.620 -2.926 1.00 0.00 C ATOM 18 OG1 THR A 2 13.027 -20.470 -1.785 1.00 0.00 O ATOM 19 CG2 THR A 2 14.034 -20.385 -4.011 1.00 0.00 C ATOM 0 H THR A 2 14.504 -19.345 -0.680 1.00 0.00 H new ATOM 0 HA THR A 2 14.689 -18.017 -3.279 1.00 0.00 H new ATOM 0 HB THR A 2 12.350 -19.291 -3.364 1.00 0.00 H new ATOM 0 HG1 THR A 2 12.527 -21.261 -2.076 1.00 0.00 H new ATOM 0 HG21 THR A 2 13.447 -21.253 -4.311 1.00 0.00 H new ATOM 0 HG22 THR A 2 14.188 -19.736 -4.873 1.00 0.00 H new ATOM 0 HG23 THR A 2 15.000 -20.715 -3.628 1.00 0.00 H new ATOM 27 N GLN A 3 12.329 -17.605 -1.024 1.00 0.00 N ATOM 28 CA GLN A 3 11.306 -16.740 -0.526 1.00 0.00 C ATOM 29 C GLN A 3 11.403 -16.750 0.974 1.00 0.00 C ATOM 30 O GLN A 3 10.683 -17.480 1.633 1.00 0.00 O ATOM 31 CB GLN A 3 9.902 -17.167 -0.987 1.00 0.00 C ATOM 32 CG GLN A 3 9.637 -16.914 -2.456 1.00 0.00 C ATOM 33 CD GLN A 3 8.229 -17.268 -2.861 1.00 0.00 C ATOM 34 OE1 GLN A 3 7.319 -16.435 -2.820 1.00 0.00 O ATOM 35 NE2 GLN A 3 8.029 -18.489 -3.248 1.00 0.00 N ATOM 0 H GLN A 3 12.417 -18.475 -0.499 1.00 0.00 H new ATOM 0 HA GLN A 3 11.456 -15.735 -0.921 1.00 0.00 H new ATOM 0 HB2 GLN A 3 9.770 -18.229 -0.781 1.00 0.00 H new ATOM 0 HB3 GLN A 3 9.158 -16.633 -0.396 1.00 0.00 H new ATOM 0 HG2 GLN A 3 9.822 -15.863 -2.679 1.00 0.00 H new ATOM 0 HG3 GLN A 3 10.340 -17.495 -3.053 1.00 0.00 H new ATOM 0 HE21 GLN A 3 8.805 -19.151 -3.269 1.00 0.00 H new ATOM 0 HE22 GLN A 3 7.096 -18.788 -3.531 1.00 0.00 H new ATOM 44 N SER A 4 12.464 -16.101 1.425 1.00 0.00 N ATOM 45 CA SER A 4 12.952 -15.932 2.756 1.00 0.00 C ATOM 46 C SER A 4 11.896 -15.785 3.953 1.00 0.00 C ATOM 47 O SER A 4 10.796 -16.302 3.915 1.00 0.00 O ATOM 48 CB SER A 4 13.928 -14.783 2.666 1.00 0.00 C ATOM 49 OG SER A 4 14.431 -14.710 1.333 1.00 0.00 O ATOM 0 H SER A 4 13.075 -15.621 0.764 1.00 0.00 H new ATOM 0 HA SER A 4 13.406 -16.872 3.070 1.00 0.00 H new ATOM 0 HB2 SER A 4 13.436 -13.848 2.935 1.00 0.00 H new ATOM 0 HB3 SER A 4 14.747 -14.927 3.371 1.00 0.00 H new ATOM 0 HG SER A 4 15.065 -13.966 1.263 1.00 0.00 H new ATOM 55 N PRO A 5 12.284 -15.073 5.124 1.00 0.00 N ATOM 56 CA PRO A 5 11.297 -14.403 5.973 1.00 0.00 C ATOM 57 C PRO A 5 10.717 -13.318 5.187 1.00 0.00 C ATOM 58 O PRO A 5 9.623 -12.825 5.416 1.00 0.00 O ATOM 59 CB PRO A 5 12.019 -13.713 7.042 1.00 0.00 C ATOM 60 CG PRO A 5 13.331 -14.411 7.114 1.00 0.00 C ATOM 61 CD PRO A 5 13.566 -15.044 5.750 1.00 0.00 C ATOM 0 HA PRO A 5 10.565 -15.122 6.341 1.00 0.00 H new ATOM 0 HB2 PRO A 5 12.144 -12.654 6.817 1.00 0.00 H new ATOM 0 HB3 PRO A 5 11.483 -13.777 7.989 1.00 0.00 H new ATOM 0 HG2 PRO A 5 14.129 -13.710 7.358 1.00 0.00 H new ATOM 0 HG3 PRO A 5 13.323 -15.170 7.896 1.00 0.00 H new ATOM 0 HD2 PRO A 5 14.277 -14.462 5.164 1.00 0.00 H new ATOM 0 HD3 PRO A 5 13.979 -16.048 5.848 1.00 0.00 H new ATOM 69 N GLY A 6 11.279 -13.191 4.108 1.00 0.00 N ATOM 70 CA GLY A 6 10.918 -12.259 3.357 1.00 0.00 C ATOM 71 C GLY A 6 11.705 -11.544 2.449 1.00 0.00 C ATOM 72 O GLY A 6 11.785 -10.335 2.442 1.00 0.00 O ATOM 0 H GLY A 6 12.029 -13.785 3.755 1.00 0.00 H new ATOM 0 HA2 GLY A 6 10.098 -12.668 2.766 1.00 0.00 H new ATOM 0 HA3 GLY A 6 10.489 -11.507 4.019 1.00 0.00 H new ATOM 76 N ASP A 7 12.195 -12.364 1.572 1.00 0.00 N ATOM 77 CA ASP A 7 12.033 -12.025 0.221 1.00 0.00 C ATOM 78 C ASP A 7 10.535 -12.039 0.117 1.00 0.00 C ATOM 79 O ASP A 7 9.940 -11.092 -0.353 1.00 0.00 O ATOM 80 CB ASP A 7 12.539 -13.086 -0.684 1.00 0.00 C ATOM 81 CG ASP A 7 12.531 -12.667 -2.143 1.00 0.00 C ATOM 82 OD1 ASP A 7 13.301 -11.759 -2.521 1.00 0.00 O ATOM 83 OD2 ASP A 7 11.801 -13.241 -2.932 1.00 0.00 O ATOM 0 H ASP A 7 12.689 -13.235 1.768 1.00 0.00 H new ATOM 0 HA ASP A 7 12.549 -11.104 -0.050 1.00 0.00 H new ATOM 0 HB2 ASP A 7 13.555 -13.352 -0.393 1.00 0.00 H new ATOM 0 HB3 ASP A 7 11.929 -13.981 -0.564 1.00 0.00 H new ATOM 88 N SER A 8 9.935 -13.085 0.734 1.00 0.00 N ATOM 89 CA SER A 8 8.529 -13.216 0.772 1.00 0.00 C ATOM 90 C SER A 8 7.813 -11.999 1.480 1.00 0.00 C ATOM 91 O SER A 8 6.866 -11.465 0.957 1.00 0.00 O ATOM 92 CB SER A 8 8.157 -14.524 1.396 1.00 0.00 C ATOM 93 OG SER A 8 8.956 -14.738 2.531 1.00 0.00 O ATOM 0 H SER A 8 10.441 -13.835 1.204 1.00 0.00 H new ATOM 0 HA SER A 8 8.169 -13.202 -0.257 1.00 0.00 H new ATOM 0 HB2 SER A 8 7.103 -14.521 1.674 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.296 -15.334 0.681 1.00 0.00 H new ATOM 0 HG SER A 8 9.428 -15.592 2.443 1.00 0.00 H new ATOM 99 N ARG A 9 8.321 -11.579 2.674 1.00 0.00 N ATOM 100 CA ARG A 9 7.834 -10.439 3.443 1.00 0.00 C ATOM 101 C ARG A 9 7.882 -9.189 2.546 1.00 0.00 C ATOM 102 O ARG A 9 6.909 -8.452 2.430 1.00 0.00 O ATOM 103 CB ARG A 9 8.750 -10.250 4.708 1.00 0.00 C ATOM 104 CG ARG A 9 8.147 -9.483 5.810 1.00 0.00 C ATOM 105 CD ARG A 9 8.661 -8.067 5.896 1.00 0.00 C ATOM 106 NE ARG A 9 10.092 -8.017 6.209 1.00 0.00 N ATOM 107 CZ ARG A 9 10.608 -7.736 7.414 1.00 0.00 C ATOM 108 NH1 ARG A 9 9.838 -7.716 8.498 1.00 0.00 N ATOM 109 NH2 ARG A 9 11.897 -7.524 7.531 1.00 0.00 N ATOM 0 H ARG A 9 9.104 -12.052 3.125 1.00 0.00 H new ATOM 0 HA ARG A 9 6.808 -10.602 3.774 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.032 -11.234 5.083 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.669 -9.751 4.400 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.065 -9.463 5.681 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.347 -9.994 6.752 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.480 -7.558 4.949 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.104 -7.526 6.661 1.00 0.00 H new ATOM 0 HE ARG A 9 10.746 -8.211 5.451 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.841 -7.916 8.419 1.00 0.00 H new ATOM 0 HH12 ARG A 9 10.244 -7.501 9.408 1.00 0.00 H new ATOM 0 HH21 ARG A 9 12.499 -7.573 6.709 1.00 0.00 H new ATOM 0 HH22 ARG A 9 12.298 -7.310 8.444 1.00 0.00 H new ATOM 123 N ARG A 10 9.015 -8.991 1.874 1.00 0.00 N ATOM 124 CA ARG A 10 9.179 -7.868 0.947 1.00 0.00 C ATOM 125 C ARG A 10 8.216 -7.948 -0.178 1.00 0.00 C ATOM 126 O ARG A 10 7.603 -6.981 -0.485 1.00 0.00 O ATOM 127 CB ARG A 10 10.497 -7.864 0.333 1.00 0.00 C ATOM 128 CG ARG A 10 11.619 -7.563 1.218 1.00 0.00 C ATOM 129 CD ARG A 10 12.789 -7.675 0.379 1.00 0.00 C ATOM 130 NE ARG A 10 14.045 -7.440 1.075 1.00 0.00 N ATOM 131 CZ ARG A 10 15.254 -7.627 0.549 1.00 0.00 C ATOM 132 NH1 ARG A 10 15.379 -8.062 -0.703 1.00 0.00 N ATOM 133 NH2 ARG A 10 16.338 -7.376 1.279 1.00 0.00 N ATOM 0 H ARG A 10 9.835 -9.593 1.953 1.00 0.00 H new ATOM 0 HA ARG A 10 9.020 -6.972 1.548 1.00 0.00 H new ATOM 0 HB2 ARG A 10 10.668 -8.842 -0.117 1.00 0.00 H new ATOM 0 HB3 ARG A 10 10.495 -7.136 -0.478 1.00 0.00 H new ATOM 0 HG2 ARG A 10 11.531 -6.563 1.643 1.00 0.00 H new ATOM 0 HG3 ARG A 10 11.663 -8.262 2.054 1.00 0.00 H new ATOM 0 HD2 ARG A 10 12.812 -8.671 -0.063 1.00 0.00 H new ATOM 0 HD3 ARG A 10 12.703 -6.964 -0.443 1.00 0.00 H new ATOM 0 HE ARG A 10 13.996 -7.107 2.038 1.00 0.00 H new ATOM 0 HH11 ARG A 10 14.547 -8.253 -1.262 1.00 0.00 H new ATOM 0 HH12 ARG A 10 16.306 -8.204 -1.103 1.00 0.00 H new ATOM 0 HH21 ARG A 10 16.241 -7.042 2.238 1.00 0.00 H new ATOM 0 HH22 ARG A 10 17.266 -7.518 0.880 1.00 0.00 H new ATOM 147 N LEU A 11 8.142 -9.111 -0.824 1.00 0.00 N ATOM 148 CA LEU A 11 7.177 -9.378 -1.896 1.00 0.00 C ATOM 149 C LEU A 11 5.833 -9.098 -1.460 1.00 0.00 C ATOM 150 O LEU A 11 5.058 -8.543 -2.174 1.00 0.00 O ATOM 151 CB LEU A 11 7.234 -10.787 -2.324 1.00 0.00 C ATOM 152 CG LEU A 11 8.384 -11.087 -3.213 1.00 0.00 C ATOM 153 CD1 LEU A 11 8.870 -12.383 -2.854 1.00 0.00 C ATOM 154 CD2 LEU A 11 7.982 -11.026 -4.679 1.00 0.00 C ATOM 0 H LEU A 11 8.753 -9.901 -0.619 1.00 0.00 H new ATOM 0 HA LEU A 11 7.442 -8.728 -2.730 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.290 -11.425 -1.442 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.309 -11.039 -2.842 1.00 0.00 H new ATOM 0 HG LEU A 11 9.169 -10.341 -3.085 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.719 -12.641 -3.487 1.00 0.00 H new ATOM 0 HD12 LEU A 11 9.184 -12.378 -1.810 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.078 -13.119 -2.991 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.847 -11.251 -5.303 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.196 -11.756 -4.871 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.614 -10.027 -4.914 1.00 0.00 H new ATOM 166 N SER A 12 5.585 -9.415 -0.252 1.00 0.00 N ATOM 167 CA SER A 12 4.283 -9.214 0.302 1.00 0.00 C ATOM 168 C SER A 12 4.020 -7.692 0.510 1.00 0.00 C ATOM 169 O SER A 12 2.895 -7.255 0.479 1.00 0.00 O ATOM 170 CB SER A 12 4.069 -10.065 1.580 1.00 0.00 C ATOM 171 OG SER A 12 2.683 -10.358 1.751 1.00 0.00 O ATOM 0 H SER A 12 6.266 -9.820 0.390 1.00 0.00 H new ATOM 0 HA SER A 12 3.534 -9.570 -0.405 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.638 -10.992 1.508 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.445 -9.527 2.451 1.00 0.00 H new ATOM 0 HG SER A 12 2.471 -10.389 2.707 1.00 0.00 H new ATOM 177 N ILE A 13 5.099 -6.886 0.614 1.00 0.00 N ATOM 178 CA ILE A 13 4.947 -5.378 0.720 1.00 0.00 C ATOM 179 C ILE A 13 4.885 -4.889 -0.636 1.00 0.00 C ATOM 180 O ILE A 13 4.221 -3.965 -0.909 1.00 0.00 O ATOM 181 CB ILE A 13 6.095 -4.526 1.295 1.00 0.00 C ATOM 182 CG1 ILE A 13 6.844 -5.192 2.319 1.00 0.00 C ATOM 183 CG2 ILE A 13 5.503 -3.252 1.892 1.00 0.00 C ATOM 184 CD1 ILE A 13 8.093 -4.461 2.636 1.00 0.00 C ATOM 0 H ILE A 13 6.063 -7.218 0.629 1.00 0.00 H new ATOM 0 HA ILE A 13 4.097 -5.271 1.394 1.00 0.00 H new ATOM 0 HB ILE A 13 6.780 -4.320 0.472 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.234 -5.281 3.218 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.085 -6.205 1.996 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.303 -2.637 2.304 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.980 -2.695 1.115 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.802 -3.513 2.685 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.638 -4.993 3.416 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.713 -4.395 1.742 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.849 -3.457 2.983 1.00 0.00 H new ATOM 196 N GLN A 14 5.706 -5.456 -1.455 1.00 0.00 N ATOM 197 CA GLN A 14 5.665 -5.208 -2.901 1.00 0.00 C ATOM 198 C GLN A 14 4.257 -5.321 -3.357 1.00 0.00 C ATOM 199 O GLN A 14 3.765 -4.456 -3.949 1.00 0.00 O ATOM 200 CB GLN A 14 6.525 -6.204 -3.689 1.00 0.00 C ATOM 201 CG GLN A 14 7.992 -6.114 -3.415 1.00 0.00 C ATOM 202 CD GLN A 14 8.847 -7.104 -4.198 1.00 0.00 C ATOM 203 OE1 GLN A 14 8.496 -7.528 -5.293 1.00 0.00 O ATOM 204 NE2 GLN A 14 10.006 -7.435 -3.661 1.00 0.00 N ATOM 0 H GLN A 14 6.434 -6.109 -1.164 1.00 0.00 H new ATOM 0 HA GLN A 14 6.066 -4.211 -3.084 1.00 0.00 H new ATOM 0 HB2 GLN A 14 6.188 -7.215 -3.461 1.00 0.00 H new ATOM 0 HB3 GLN A 14 6.357 -6.045 -4.754 1.00 0.00 H new ATOM 0 HG2 GLN A 14 8.329 -5.103 -3.643 1.00 0.00 H new ATOM 0 HG3 GLN A 14 8.160 -6.273 -2.350 1.00 0.00 H new ATOM 0 HE21 GLN A 14 10.269 -7.065 -2.748 1.00 0.00 H new ATOM 0 HE22 GLN A 14 10.639 -8.061 -4.159 1.00 0.00 H new ATOM 213 N ARG A 15 3.632 -6.375 -2.986 1.00 0.00 N ATOM 214 CA ARG A 15 2.244 -6.641 -3.311 1.00 0.00 C ATOM 215 C ARG A 15 1.304 -5.789 -2.574 1.00 0.00 C ATOM 216 O ARG A 15 0.234 -5.519 -3.036 1.00 0.00 O ATOM 217 CB ARG A 15 1.944 -8.026 -3.023 1.00 0.00 C ATOM 218 CG ARG A 15 2.792 -8.895 -3.948 1.00 0.00 C ATOM 219 CD ARG A 15 2.258 -10.276 -4.089 1.00 0.00 C ATOM 220 NE ARG A 15 3.029 -11.052 -5.067 1.00 0.00 N ATOM 221 CZ ARG A 15 2.764 -12.316 -5.441 1.00 0.00 C ATOM 222 NH1 ARG A 15 1.742 -12.982 -4.901 1.00 0.00 N ATOM 223 NH2 ARG A 15 3.520 -12.903 -6.369 1.00 0.00 N ATOM 0 H ARG A 15 4.067 -7.111 -2.430 1.00 0.00 H new ATOM 0 HA ARG A 15 2.119 -6.419 -4.371 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.162 -8.254 -1.980 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.884 -8.226 -3.178 1.00 0.00 H new ATOM 0 HG2 ARG A 15 2.844 -8.428 -4.932 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.811 -8.941 -3.563 1.00 0.00 H new ATOM 0 HD2 ARG A 15 2.284 -10.778 -3.122 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.214 -10.234 -4.398 1.00 0.00 H new ATOM 0 HE ARG A 15 3.832 -10.595 -5.499 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.155 -12.533 -4.199 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.548 -13.941 -5.191 1.00 0.00 H new ATOM 0 HH21 ARG A 15 4.296 -12.393 -6.792 1.00 0.00 H new ATOM 0 HH22 ARG A 15 3.323 -13.862 -6.656 1.00 0.00 H new ATOM 237 N ALA A 16 1.712 -5.383 -1.451 1.00 0.00 N ATOM 238 CA ALA A 16 0.963 -4.533 -0.600 1.00 0.00 C ATOM 239 C ALA A 16 0.935 -3.197 -1.214 1.00 0.00 C ATOM 240 O ALA A 16 -0.091 -2.627 -1.371 1.00 0.00 O ATOM 241 CB ALA A 16 1.603 -4.575 0.754 1.00 0.00 C ATOM 0 H ALA A 16 2.622 -5.639 -1.068 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.074 -4.844 -0.473 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.051 -3.930 1.438 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.591 -5.598 1.131 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.634 -4.228 0.680 1.00 0.00 H new ATOM 247 N ILE A 17 2.075 -2.764 -1.631 1.00 0.00 N ATOM 248 CA ILE A 17 2.242 -1.579 -2.373 1.00 0.00 C ATOM 249 C ILE A 17 1.654 -1.687 -3.746 1.00 0.00 C ATOM 250 O ILE A 17 0.984 -0.863 -4.114 1.00 0.00 O ATOM 251 CB ILE A 17 3.676 -1.231 -2.536 1.00 0.00 C ATOM 252 CG1 ILE A 17 4.266 -0.819 -1.278 1.00 0.00 C ATOM 253 CG2 ILE A 17 3.812 -0.162 -3.513 1.00 0.00 C ATOM 254 CD1 ILE A 17 5.695 -0.751 -1.306 1.00 0.00 C ATOM 0 H ILE A 17 2.951 -3.255 -1.452 1.00 0.00 H new ATOM 0 HA ILE A 17 1.725 -0.806 -1.804 1.00 0.00 H new ATOM 0 HB ILE A 17 4.203 -2.120 -2.883 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.870 0.159 -1.005 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.960 -1.516 -0.498 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.866 0.091 -3.631 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.409 -0.491 -4.471 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.264 0.716 -3.171 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.063 -0.436 -0.330 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.101 -1.733 -1.548 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.010 -0.032 -2.062 1.00 0.00 H new ATOM 266 N GLN A 18 1.990 -2.700 -4.512 1.00 0.00 N ATOM 267 CA GLN A 18 1.468 -2.867 -5.867 1.00 0.00 C ATOM 268 C GLN A 18 0.002 -2.909 -5.814 1.00 0.00 C ATOM 269 O GLN A 18 -0.621 -2.316 -6.640 1.00 0.00 O ATOM 270 CB GLN A 18 1.972 -4.148 -6.519 1.00 0.00 C ATOM 271 CG GLN A 18 3.453 -4.171 -6.870 1.00 0.00 C ATOM 272 CD GLN A 18 3.898 -5.539 -7.359 1.00 0.00 C ATOM 273 OE1 GLN A 18 3.337 -6.569 -6.976 1.00 0.00 O ATOM 274 NE2 GLN A 18 4.911 -5.581 -8.179 1.00 0.00 N ATOM 0 H GLN A 18 2.633 -3.437 -4.221 1.00 0.00 H new ATOM 0 HA GLN A 18 1.815 -2.024 -6.464 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.763 -4.982 -5.849 1.00 0.00 H new ATOM 0 HB3 GLN A 18 1.399 -4.320 -7.430 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.655 -3.427 -7.640 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.038 -3.890 -5.994 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.358 -4.716 -8.482 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.256 -6.479 -8.518 1.00 0.00 H new ATOM 283 N SER A 19 -0.557 -3.566 -4.802 1.00 0.00 N ATOM 284 CA SER A 19 -1.969 -3.547 -4.674 1.00 0.00 C ATOM 285 C SER A 19 -2.411 -2.232 -4.312 1.00 0.00 C ATOM 286 O SER A 19 -3.327 -1.756 -4.874 1.00 0.00 O ATOM 287 CB SER A 19 -2.503 -4.551 -3.728 1.00 0.00 C ATOM 288 OG SER A 19 -2.193 -5.855 -4.171 1.00 0.00 O ATOM 0 H SER A 19 -0.054 -4.096 -4.091 1.00 0.00 H new ATOM 0 HA SER A 19 -2.367 -3.821 -5.651 1.00 0.00 H new ATOM 0 HB2 SER A 19 -2.081 -4.387 -2.736 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.583 -4.437 -3.638 1.00 0.00 H new ATOM 0 HG SER A 19 -1.325 -6.126 -3.807 1.00 0.00 H new ATOM 294 N LEU A 20 -1.730 -1.641 -3.406 1.00 0.00 N ATOM 295 CA LEU A 20 -2.004 -0.367 -2.968 1.00 0.00 C ATOM 296 C LEU A 20 -1.925 0.684 -4.065 1.00 0.00 C ATOM 297 O LEU A 20 -2.822 1.498 -4.216 1.00 0.00 O ATOM 298 CB LEU A 20 -1.085 -0.005 -1.912 1.00 0.00 C ATOM 299 CG LEU A 20 -1.486 1.088 -1.264 1.00 0.00 C ATOM 300 CD1 LEU A 20 -2.435 0.666 -0.200 1.00 0.00 C ATOM 301 CD2 LEU A 20 -0.345 1.895 -0.916 1.00 0.00 C ATOM 0 H LEU A 20 -0.931 -2.071 -2.940 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.033 -0.384 -2.609 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.994 -0.833 -1.209 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.094 0.165 -2.334 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.069 1.784 -1.867 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.780 1.543 0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.289 0.162 -0.653 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.933 -0.016 0.486 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.678 2.787 -0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.324 1.321 -0.275 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.184 2.188 -1.823 1.00 0.00 H new ATOM 313 N VAL A 21 -0.848 0.663 -4.776 1.00 0.00 N ATOM 314 CA VAL A 21 -0.574 1.499 -5.848 1.00 0.00 C ATOM 315 C VAL A 21 -1.626 1.319 -6.866 1.00 0.00 C ATOM 316 O VAL A 21 -2.190 2.236 -7.314 1.00 0.00 O ATOM 317 CB VAL A 21 0.808 1.205 -6.494 1.00 0.00 C ATOM 318 CG1 VAL A 21 0.801 1.792 -7.853 1.00 0.00 C ATOM 319 CG2 VAL A 21 1.984 1.728 -5.635 1.00 0.00 C ATOM 0 H VAL A 21 -0.092 0.003 -4.591 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.550 2.523 -5.475 1.00 0.00 H new ATOM 0 HB VAL A 21 0.965 0.128 -6.556 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.760 1.603 -8.336 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.003 1.339 -8.441 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.635 2.867 -7.784 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.927 1.497 -6.130 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.893 2.807 -5.512 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.961 1.248 -4.657 1.00 0.00 H new ATOM 329 N HIS A 22 -1.884 0.109 -7.169 1.00 0.00 N ATOM 330 CA HIS A 22 -2.889 -0.271 -8.142 1.00 0.00 C ATOM 331 C HIS A 22 -4.175 0.150 -7.660 1.00 0.00 C ATOM 332 O HIS A 22 -4.910 0.565 -8.348 1.00 0.00 O ATOM 333 CB HIS A 22 -2.874 -1.735 -8.283 1.00 0.00 C ATOM 334 CG HIS A 22 -3.805 -2.359 -9.292 1.00 0.00 C ATOM 335 ND1 HIS A 22 -5.069 -2.815 -9.165 1.00 0.00 N flip ATOM 336 CD2 HIS A 22 -3.434 -2.642 -10.579 1.00 0.00 C flip ATOM 337 CE1 HIS A 22 -5.426 -3.359 -10.367 1.00 0.00 C flip ATOM 338 NE2 HIS A 22 -4.422 -3.242 -11.204 1.00 0.00 N flip ATOM 0 H HIS A 22 -1.401 -0.685 -6.749 1.00 0.00 H new ATOM 0 HA HIS A 22 -2.686 0.195 -9.106 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -1.857 -2.036 -8.536 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.101 -2.167 -7.308 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.474 -2.408 -11.015 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -6.380 -3.812 -10.592 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -4.411 -3.562 -12.173 1.00 0.00 H new ATOM 347 N ALA A 23 -4.389 0.043 -6.464 1.00 0.00 N ATOM 348 CA ALA A 23 -5.619 0.429 -5.882 1.00 0.00 C ATOM 349 C ALA A 23 -5.804 1.945 -6.003 1.00 0.00 C ATOM 350 O ALA A 23 -6.880 2.452 -6.274 1.00 0.00 O ATOM 351 CB ALA A 23 -5.586 -0.060 -4.459 1.00 0.00 C ATOM 0 H ALA A 23 -3.710 -0.327 -5.799 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.479 -0.008 -6.390 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.516 0.212 -3.959 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.472 -1.144 -4.449 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.746 0.398 -3.936 1.00 0.00 H new ATOM 357 N ALA A 24 -4.749 2.603 -5.872 1.00 0.00 N ATOM 358 CA ALA A 24 -4.693 4.013 -5.980 1.00 0.00 C ATOM 359 C ALA A 24 -4.825 4.454 -7.427 1.00 0.00 C ATOM 360 O ALA A 24 -5.563 5.384 -7.773 1.00 0.00 O ATOM 361 CB ALA A 24 -3.349 4.369 -5.529 1.00 0.00 C ATOM 0 H ALA A 24 -3.845 2.172 -5.677 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.494 4.480 -5.406 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.222 5.450 -5.582 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.211 4.037 -4.500 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.611 3.885 -6.169 1.00 0.00 H new ATOM 367 N GLN A 25 -4.071 3.771 -8.223 1.00 0.00 N ATOM 368 CA GLN A 25 -3.834 4.037 -9.583 1.00 0.00 C ATOM 369 C GLN A 25 -4.869 3.378 -10.505 1.00 0.00 C ATOM 370 O GLN A 25 -5.055 3.786 -11.643 1.00 0.00 O ATOM 371 CB GLN A 25 -2.412 3.577 -9.892 1.00 0.00 C ATOM 372 CG GLN A 25 -1.923 3.868 -11.235 1.00 0.00 C ATOM 373 CD GLN A 25 -0.546 3.285 -11.459 1.00 0.00 C ATOM 374 OE1 GLN A 25 0.467 3.958 -11.286 1.00 0.00 O ATOM 375 NE2 GLN A 25 -0.492 2.007 -11.717 1.00 0.00 N ATOM 0 H GLN A 25 -3.567 2.945 -7.900 1.00 0.00 H new ATOM 0 HA GLN A 25 -3.937 5.105 -9.774 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.737 4.041 -9.173 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.357 2.500 -9.732 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.616 3.462 -11.972 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.892 4.947 -11.387 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.353 1.478 -11.855 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.411 1.537 -11.780 1.00 0.00 H new ATOM 384 N CYS A 26 -5.488 2.344 -10.041 1.00 0.00 N ATOM 385 CA CYS A 26 -6.546 1.736 -10.745 1.00 0.00 C ATOM 386 C CYS A 26 -7.721 2.570 -10.374 1.00 0.00 C ATOM 387 O CYS A 26 -7.970 2.761 -9.181 1.00 0.00 O ATOM 388 CB CYS A 26 -6.780 0.262 -10.265 1.00 0.00 C ATOM 389 SG CYS A 26 -8.033 -0.689 -11.160 1.00 0.00 S ATOM 0 H CYS A 26 -5.264 1.899 -9.151 1.00 0.00 H new ATOM 0 HA CYS A 26 -6.355 1.683 -11.817 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -5.833 -0.273 -10.332 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -7.058 0.286 -9.211 1.00 0.00 H new ATOM 0 HG CYS A 26 -7.647 -1.926 -11.263 1.00 0.00 H new ATOM 395 N ARG A 27 -8.476 3.044 -11.289 1.00 0.00 N ATOM 396 CA ARG A 27 -9.518 3.889 -10.853 1.00 0.00 C ATOM 397 C ARG A 27 -10.743 3.491 -11.528 1.00 0.00 C ATOM 398 O ARG A 27 -11.139 3.953 -12.602 1.00 0.00 O ATOM 399 CB ARG A 27 -9.218 5.440 -10.922 1.00 0.00 C ATOM 400 CG ARG A 27 -8.865 6.035 -12.297 1.00 0.00 C ATOM 401 CD ARG A 27 -7.405 5.827 -12.708 1.00 0.00 C ATOM 402 NE ARG A 27 -6.451 6.683 -11.981 1.00 0.00 N ATOM 403 CZ ARG A 27 -5.172 6.889 -12.369 1.00 0.00 C ATOM 404 NH1 ARG A 27 -4.692 6.260 -13.439 1.00 0.00 N ATOM 405 NH2 ARG A 27 -4.375 7.697 -11.671 1.00 0.00 N ATOM 0 H ARG A 27 -8.403 2.875 -12.292 1.00 0.00 H new ATOM 0 HA ARG A 27 -9.631 3.747 -9.778 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -10.092 5.969 -10.541 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.394 5.654 -10.241 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -9.512 5.588 -13.052 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -9.080 7.104 -12.285 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.138 4.783 -12.546 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.308 6.018 -13.777 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.775 7.149 -11.133 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.289 5.623 -13.966 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -3.727 6.415 -13.732 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.728 8.166 -10.837 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -3.412 7.847 -11.971 1.00 0.00 H new ATOM 419 N ASN A 28 -11.248 2.529 -10.914 1.00 0.00 N ATOM 420 CA ASN A 28 -12.456 1.915 -11.153 1.00 0.00 C ATOM 421 C ASN A 28 -12.896 1.501 -9.757 1.00 0.00 C ATOM 422 O ASN A 28 -12.224 0.646 -9.176 1.00 0.00 O ATOM 423 CB ASN A 28 -12.086 0.719 -11.971 1.00 0.00 C ATOM 424 CG ASN A 28 -13.202 -0.024 -12.594 1.00 0.00 C ATOM 425 OD1 ASN A 28 -14.341 0.035 -12.150 1.00 0.00 O ATOM 426 ND2 ASN A 28 -12.874 -0.810 -13.573 1.00 0.00 N ATOM 0 H ASN A 28 -10.760 2.098 -10.129 1.00 0.00 H new ATOM 0 HA ASN A 28 -13.230 2.494 -11.657 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.408 1.042 -12.761 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -11.530 0.030 -11.336 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -13.578 -1.410 -14.003 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.912 -0.828 -13.912 1.00 0.00 H new ATOM 433 N ALA A 29 -13.886 2.094 -9.155 1.00 0.00 N ATOM 434 CA ALA A 29 -14.225 1.676 -7.781 1.00 0.00 C ATOM 435 C ALA A 29 -14.854 0.284 -7.768 1.00 0.00 C ATOM 436 O ALA A 29 -14.761 -0.459 -6.792 1.00 0.00 O ATOM 437 CB ALA A 29 -15.099 2.693 -7.081 1.00 0.00 C ATOM 0 H ALA A 29 -14.463 2.836 -9.551 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.294 1.622 -7.217 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.325 2.346 -6.073 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.575 3.647 -7.028 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -16.028 2.819 -7.638 1.00 0.00 H new ATOM 443 N ASN A 30 -15.428 -0.067 -8.881 1.00 0.00 N ATOM 444 CA ASN A 30 -16.058 -1.345 -9.092 1.00 0.00 C ATOM 445 C ASN A 30 -15.226 -2.159 -10.007 1.00 0.00 C ATOM 446 O ASN A 30 -15.745 -2.977 -10.791 1.00 0.00 O ATOM 447 CB ASN A 30 -17.451 -1.159 -9.650 1.00 0.00 C ATOM 448 CG ASN A 30 -18.411 -0.555 -8.619 1.00 0.00 C ATOM 449 OD1 ASN A 30 -18.287 -0.797 -7.415 1.00 0.00 O ATOM 450 ND2 ASN A 30 -19.349 0.229 -9.061 1.00 0.00 N ATOM 0 H ASN A 30 -15.474 0.545 -9.695 1.00 0.00 H new ATOM 0 HA ASN A 30 -16.147 -1.867 -8.139 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -17.406 -0.511 -10.526 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -17.838 -2.121 -9.985 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -20.003 0.660 -8.408 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -19.431 0.413 -10.061 1.00 0.00 H new ATOM 457 N CYS A 31 -13.900 -1.935 -9.934 1.00 0.00 N ATOM 458 CA CYS A 31 -12.968 -2.858 -10.532 1.00 0.00 C ATOM 459 C CYS A 31 -13.304 -4.052 -9.874 1.00 0.00 C ATOM 460 O CYS A 31 -13.337 -4.027 -8.614 1.00 0.00 O ATOM 461 CB CYS A 31 -11.522 -2.608 -10.079 1.00 0.00 C ATOM 462 SG CYS A 31 -10.307 -3.761 -10.731 1.00 0.00 S ATOM 0 H CYS A 31 -13.474 -1.132 -9.471 1.00 0.00 H new ATOM 0 HA CYS A 31 -13.019 -2.814 -11.620 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.235 -1.598 -10.373 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -11.487 -2.645 -8.990 1.00 0.00 H new ATOM 0 HG CYS A 31 -9.213 -3.121 -11.020 1.00 0.00 H new ATOM 468 N SER A 32 -13.561 -5.116 -10.536 1.00 0.00 N ATOM 469 CA SER A 32 -13.775 -6.063 -9.688 1.00 0.00 C ATOM 470 C SER A 32 -12.580 -6.896 -9.765 1.00 0.00 C ATOM 471 O SER A 32 -12.455 -7.816 -10.549 1.00 0.00 O ATOM 472 CB SER A 32 -14.982 -6.824 -10.192 1.00 0.00 C ATOM 473 OG SER A 32 -16.079 -5.922 -10.366 1.00 0.00 O ATOM 0 H SER A 32 -13.611 -5.287 -11.540 1.00 0.00 H new ATOM 0 HA SER A 32 -13.959 -5.731 -8.666 1.00 0.00 H new ATOM 0 HB2 SER A 32 -14.747 -7.314 -11.137 1.00 0.00 H new ATOM 0 HB3 SER A 32 -15.252 -7.608 -9.485 1.00 0.00 H new ATOM 0 HG SER A 32 -16.859 -6.416 -10.694 1.00 0.00 H new ATOM 479 N LEU A 33 -11.644 -6.427 -9.045 1.00 0.00 N ATOM 480 CA LEU A 33 -10.787 -6.994 -8.305 1.00 0.00 C ATOM 481 C LEU A 33 -11.159 -6.475 -6.918 1.00 0.00 C ATOM 482 O LEU A 33 -10.766 -5.392 -6.597 1.00 0.00 O ATOM 483 CB LEU A 33 -9.410 -6.688 -8.807 1.00 0.00 C ATOM 484 CG LEU A 33 -8.324 -7.165 -7.966 1.00 0.00 C ATOM 485 CD1 LEU A 33 -8.683 -8.403 -7.277 1.00 0.00 C ATOM 486 CD2 LEU A 33 -7.130 -7.357 -8.743 1.00 0.00 C ATOM 0 H LEU A 33 -11.507 -5.417 -9.016 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.786 -8.084 -8.293 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.297 -7.124 -9.800 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.313 -5.608 -8.920 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.135 -6.403 -7.210 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.848 -8.730 -6.658 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.555 -8.229 -6.647 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.914 -9.174 -8.012 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.329 -7.714 -8.096 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.319 -8.092 -9.526 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.835 -6.411 -9.197 1.00 0.00 H new ATOM 498 N PRO A 34 -12.066 -7.065 -6.219 1.00 0.00 N ATOM 499 CA PRO A 34 -12.385 -6.681 -4.834 1.00 0.00 C ATOM 500 C PRO A 34 -11.244 -6.729 -3.900 1.00 0.00 C ATOM 501 O PRO A 34 -11.304 -6.134 -2.837 1.00 0.00 O ATOM 502 CB PRO A 34 -13.503 -7.588 -4.473 1.00 0.00 C ATOM 503 CG PRO A 34 -14.173 -7.678 -5.799 1.00 0.00 C ATOM 504 CD PRO A 34 -13.032 -7.949 -6.738 1.00 0.00 C ATOM 0 HA PRO A 34 -12.660 -5.629 -4.759 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -13.158 -8.556 -4.110 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -14.151 -7.171 -3.702 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -14.914 -8.477 -5.823 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -14.693 -6.754 -6.052 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -12.705 -8.988 -6.706 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -13.285 -7.727 -7.775 1.00 0.00 H new ATOM 512 N SER A 35 -10.202 -7.413 -4.248 1.00 0.00 N ATOM 513 CA SER A 35 -9.050 -7.214 -3.506 1.00 0.00 C ATOM 514 C SER A 35 -8.314 -5.901 -3.943 1.00 0.00 C ATOM 515 O SER A 35 -7.634 -5.266 -3.114 1.00 0.00 O ATOM 516 CB SER A 35 -8.217 -8.471 -3.331 1.00 0.00 C ATOM 517 OG SER A 35 -7.872 -9.081 -4.538 1.00 0.00 O ATOM 0 H SER A 35 -10.145 -8.084 -5.014 1.00 0.00 H new ATOM 0 HA SER A 35 -9.326 -7.016 -2.470 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.307 -8.222 -2.786 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.771 -9.182 -2.718 1.00 0.00 H new ATOM 0 HG SER A 35 -7.336 -9.882 -4.358 1.00 0.00 H new ATOM 523 N CYS A 36 -8.555 -5.400 -5.241 1.00 0.00 N ATOM 524 CA CYS A 36 -8.085 -4.102 -5.581 1.00 0.00 C ATOM 525 C CYS A 36 -8.882 -3.158 -4.747 1.00 0.00 C ATOM 526 O CYS A 36 -8.332 -2.318 -4.078 1.00 0.00 O ATOM 527 CB CYS A 36 -8.275 -3.663 -7.067 1.00 0.00 C ATOM 528 SG CYS A 36 -7.715 -1.988 -7.375 1.00 0.00 S ATOM 0 H CYS A 36 -9.050 -5.897 -5.981 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.008 -4.104 -5.414 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -7.730 -4.348 -7.716 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -9.329 -3.743 -7.333 1.00 0.00 H new ATOM 0 HG CYS A 36 -6.644 -2.017 -8.111 1.00 0.00 H new ATOM 534 N GLN A 37 -10.232 -3.382 -4.797 1.00 0.00 N ATOM 535 CA GLN A 37 -11.269 -2.641 -4.056 1.00 0.00 C ATOM 536 C GLN A 37 -10.897 -2.446 -2.729 1.00 0.00 C ATOM 537 O GLN A 37 -10.939 -1.370 -2.257 1.00 0.00 O ATOM 538 CB GLN A 37 -12.642 -3.305 -4.063 1.00 0.00 C ATOM 539 CG GLN A 37 -13.337 -3.421 -5.440 1.00 0.00 C ATOM 540 CD GLN A 37 -14.762 -3.917 -5.312 1.00 0.00 C ATOM 541 OE1 GLN A 37 -15.613 -3.461 -6.179 1.00 0.00 O flip ATOM 542 NE2 GLN A 37 -15.091 -4.683 -4.411 1.00 0.00 N flip ATOM 0 H GLN A 37 -10.629 -4.117 -5.383 1.00 0.00 H new ATOM 0 HA GLN A 37 -11.353 -1.692 -4.586 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.540 -4.307 -3.645 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.297 -2.746 -3.395 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -13.334 -2.448 -5.932 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -12.771 -4.102 -6.076 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -14.393 -5.020 -3.748 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -16.062 -4.982 -4.325 1.00 0.00 H new ATOM 551 N LYS A 38 -10.529 -3.448 -2.152 1.00 0.00 N ATOM 552 CA LYS A 38 -10.176 -3.431 -0.864 1.00 0.00 C ATOM 553 C LYS A 38 -8.987 -2.507 -0.543 1.00 0.00 C ATOM 554 O LYS A 38 -9.051 -1.711 0.346 1.00 0.00 O ATOM 555 CB LYS A 38 -9.857 -4.752 -0.519 1.00 0.00 C ATOM 556 CG LYS A 38 -9.038 -4.784 0.640 1.00 0.00 C ATOM 557 CD LYS A 38 -9.404 -5.788 1.536 1.00 0.00 C ATOM 558 CE LYS A 38 -9.309 -7.147 0.953 1.00 0.00 C ATOM 559 NZ LYS A 38 -9.667 -8.178 1.938 1.00 0.00 N ATOM 0 H LYS A 38 -10.461 -4.365 -2.594 1.00 0.00 H new ATOM 0 HA LYS A 38 -11.009 -3.029 -0.287 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.772 -5.317 -0.340 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.341 -5.235 -1.349 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.000 -4.931 0.341 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.091 -3.818 1.143 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.765 -5.731 2.417 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.426 -5.613 1.871 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.970 -7.221 0.089 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.295 -7.321 0.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.131 -9.047 1.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.438 -7.839 2.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.686 -8.378 1.876 1.00 0.00 H new ATOM 573 N MET A 39 -7.913 -2.688 -1.256 1.00 0.00 N ATOM 574 CA MET A 39 -6.678 -1.923 -1.032 1.00 0.00 C ATOM 575 C MET A 39 -6.918 -0.461 -1.291 1.00 0.00 C ATOM 576 O MET A 39 -6.376 0.434 -0.677 1.00 0.00 O ATOM 577 CB MET A 39 -5.634 -2.381 -2.007 1.00 0.00 C ATOM 578 CG MET A 39 -4.852 -3.564 -1.583 1.00 0.00 C ATOM 579 SD MET A 39 -3.305 -3.208 -0.722 1.00 0.00 S ATOM 580 CE MET A 39 -3.838 -2.135 0.547 1.00 0.00 C ATOM 0 H MET A 39 -7.849 -3.367 -2.015 1.00 0.00 H new ATOM 0 HA MET A 39 -6.357 -2.078 -0.002 1.00 0.00 H new ATOM 0 HB2 MET A 39 -6.120 -2.608 -2.956 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.945 -1.557 -2.191 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.477 -4.176 -0.932 1.00 0.00 H new ATOM 0 HG3 MET A 39 -4.627 -4.164 -2.465 1.00 0.00 H new ATOM 0 HE1 MET A 39 -2.990 -1.866 1.176 1.00 0.00 H new ATOM 0 HE2 MET A 39 -4.264 -1.233 0.106 1.00 0.00 H new ATOM 0 HE3 MET A 39 -4.594 -2.635 1.152 1.00 0.00 H new ATOM 590 N LYS A 40 -7.692 -0.302 -2.237 1.00 0.00 N ATOM 591 CA LYS A 40 -8.187 0.911 -2.774 1.00 0.00 C ATOM 592 C LYS A 40 -8.982 1.568 -1.698 1.00 0.00 C ATOM 593 O LYS A 40 -8.694 2.623 -1.304 1.00 0.00 O ATOM 594 CB LYS A 40 -9.098 0.445 -3.790 1.00 0.00 C ATOM 595 CG LYS A 40 -9.131 1.138 -5.001 1.00 0.00 C ATOM 596 CD LYS A 40 -10.029 0.388 -5.925 1.00 0.00 C ATOM 597 CE LYS A 40 -9.679 0.632 -7.324 1.00 0.00 C ATOM 598 NZ LYS A 40 -10.103 1.948 -7.767 1.00 0.00 N ATOM 0 H LYS A 40 -8.062 -1.107 -2.743 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.427 1.600 -3.144 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.855 -0.595 -4.006 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.104 0.457 -3.369 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.498 2.154 -4.851 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.129 1.220 -5.423 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.963 -0.679 -5.713 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.063 0.684 -5.750 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.601 0.537 -7.450 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.142 -0.129 -7.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.454 2.292 -8.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.067 1.890 -8.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.092 2.606 -6.961 1.00 0.00 H new ATOM 612 N ARG A 41 -9.877 0.767 -1.118 1.00 0.00 N ATOM 613 CA ARG A 41 -10.768 1.095 0.015 1.00 0.00 C ATOM 614 C ARG A 41 -9.998 1.273 1.180 1.00 0.00 C ATOM 615 O ARG A 41 -10.504 1.633 2.165 1.00 0.00 O ATOM 616 CB ARG A 41 -11.616 -0.032 0.349 1.00 0.00 C ATOM 617 CG ARG A 41 -12.917 -0.128 -0.386 1.00 0.00 C ATOM 618 CD ARG A 41 -13.729 -1.167 0.279 1.00 0.00 C ATOM 619 NE ARG A 41 -14.991 -1.454 -0.392 1.00 0.00 N ATOM 620 CZ ARG A 41 -15.888 -2.339 0.056 1.00 0.00 C ATOM 621 NH1 ARG A 41 -15.680 -2.976 1.213 1.00 0.00 N ATOM 622 NH2 ARG A 41 -16.990 -2.584 -0.638 1.00 0.00 N ATOM 0 H ARG A 41 -10.014 -0.191 -1.442 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.338 1.976 -0.279 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.053 -0.948 0.169 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.829 0.006 1.417 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.436 0.830 -0.373 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.748 -0.385 -1.432 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -13.145 -2.085 0.341 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -13.937 -0.852 1.302 1.00 0.00 H new ATOM 0 HE ARG A 41 -15.202 -0.950 -1.254 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -14.837 -2.787 1.755 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -16.365 -3.651 1.554 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -17.157 -2.097 -1.518 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -17.671 -3.260 -0.292 1.00 0.00 H new ATOM 636 N VAL A 42 -8.796 0.873 1.103 1.00 0.00 N ATOM 637 CA VAL A 42 -7.949 0.971 2.127 1.00 0.00 C ATOM 638 C VAL A 42 -7.269 2.294 2.128 1.00 0.00 C ATOM 639 O VAL A 42 -7.190 2.947 3.166 1.00 0.00 O ATOM 640 CB VAL A 42 -7.057 -0.225 2.302 1.00 0.00 C ATOM 641 CG1 VAL A 42 -5.639 0.189 2.300 1.00 0.00 C ATOM 642 CG2 VAL A 42 -7.470 -0.748 3.565 1.00 0.00 C ATOM 0 H VAL A 42 -8.392 0.453 0.266 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.535 0.943 3.046 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.137 -0.964 1.505 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.004 -0.688 2.428 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.403 0.673 1.353 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.463 0.887 3.118 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.881 -1.634 3.802 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.318 0.005 4.338 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.526 -1.015 3.521 1.00 0.00 H new ATOM 652 N VAL A 43 -6.774 2.676 0.964 1.00 0.00 N ATOM 653 CA VAL A 43 -6.367 3.974 0.681 1.00 0.00 C ATOM 654 C VAL A 43 -7.483 4.878 1.046 1.00 0.00 C ATOM 655 O VAL A 43 -7.351 5.761 1.867 1.00 0.00 O ATOM 656 CB VAL A 43 -6.068 4.072 -0.833 1.00 0.00 C ATOM 657 CG1 VAL A 43 -5.938 5.490 -1.218 1.00 0.00 C ATOM 658 CG2 VAL A 43 -4.811 3.198 -1.285 1.00 0.00 C ATOM 0 H VAL A 43 -6.654 2.036 0.179 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.471 4.248 1.237 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.911 3.639 -1.371 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.727 5.559 -2.285 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.868 6.014 -0.997 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.123 5.946 -0.657 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.656 3.311 -2.358 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.922 3.536 -0.752 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.995 2.149 -1.054 1.00 0.00 H new ATOM 668 N GLN A 44 -8.588 4.530 0.555 1.00 0.00 N ATOM 669 CA GLN A 44 -9.748 5.269 0.689 1.00 0.00 C ATOM 670 C GLN A 44 -10.298 5.211 2.143 1.00 0.00 C ATOM 671 O GLN A 44 -10.888 6.208 2.642 1.00 0.00 O ATOM 672 CB GLN A 44 -10.713 4.789 -0.386 1.00 0.00 C ATOM 673 CG GLN A 44 -10.112 5.026 -1.786 1.00 0.00 C ATOM 674 CD GLN A 44 -10.165 6.464 -2.289 1.00 0.00 C ATOM 675 OE1 GLN A 44 -10.149 7.425 -1.519 1.00 0.00 O ATOM 676 NE2 GLN A 44 -10.196 6.618 -3.588 1.00 0.00 N ATOM 0 H GLN A 44 -8.712 3.672 0.018 1.00 0.00 H new ATOM 0 HA GLN A 44 -9.570 6.333 0.531 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -10.924 3.729 -0.248 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.662 5.318 -0.295 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -9.071 4.702 -1.775 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -10.636 4.391 -2.500 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -10.209 5.801 -4.198 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.208 7.555 -3.990 1.00 0.00 H new ATOM 685 N HIS A 45 -10.021 4.076 2.854 1.00 0.00 N ATOM 686 CA HIS A 45 -10.489 3.873 4.273 1.00 0.00 C ATOM 687 C HIS A 45 -9.814 4.884 5.043 1.00 0.00 C ATOM 688 O HIS A 45 -10.404 5.754 5.590 1.00 0.00 O ATOM 689 CB HIS A 45 -10.087 2.468 4.843 1.00 0.00 C ATOM 690 CG HIS A 45 -10.613 2.147 6.224 1.00 0.00 C ATOM 691 ND1 HIS A 45 -9.798 1.882 7.304 1.00 0.00 N ATOM 692 CD2 HIS A 45 -11.882 2.003 6.678 1.00 0.00 C ATOM 693 CE1 HIS A 45 -10.545 1.593 8.353 1.00 0.00 C ATOM 694 NE2 HIS A 45 -11.802 1.660 8.000 1.00 0.00 N ATOM 0 H HIS A 45 -9.484 3.294 2.479 1.00 0.00 H new ATOM 0 HA HIS A 45 -11.576 3.934 4.318 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -10.439 1.702 4.153 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -8.999 2.402 4.864 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -12.787 2.134 6.104 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -10.179 1.343 9.338 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -12.598 1.484 8.614 1.00 0.00 H new ATOM 703 N THR A 46 -8.560 4.792 4.904 1.00 0.00 N ATOM 704 CA THR A 46 -7.570 5.645 5.429 1.00 0.00 C ATOM 705 C THR A 46 -7.948 7.110 5.345 1.00 0.00 C ATOM 706 O THR A 46 -8.065 7.741 6.359 1.00 0.00 O ATOM 707 CB THR A 46 -6.265 5.335 4.623 1.00 0.00 C ATOM 708 OG1 THR A 46 -5.658 4.184 5.074 1.00 0.00 O ATOM 709 CG2 THR A 46 -5.293 6.423 4.478 1.00 0.00 C ATOM 0 H THR A 46 -8.149 4.034 4.359 1.00 0.00 H new ATOM 0 HA THR A 46 -7.436 5.461 6.495 1.00 0.00 H new ATOM 0 HB THR A 46 -6.634 5.192 3.607 1.00 0.00 H new ATOM 0 HG1 THR A 46 -6.006 3.414 4.577 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.438 6.073 3.899 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.760 7.262 3.963 1.00 0.00 H new ATOM 0 HG23 THR A 46 -4.957 6.744 5.464 1.00 0.00 H new ATOM 717 N LYS A 47 -8.272 7.596 4.203 1.00 0.00 N ATOM 718 CA LYS A 47 -8.362 9.019 4.020 1.00 0.00 C ATOM 719 C LYS A 47 -9.596 9.556 4.677 1.00 0.00 C ATOM 720 O LYS A 47 -9.545 10.604 5.332 1.00 0.00 O ATOM 721 CB LYS A 47 -8.448 9.302 2.591 1.00 0.00 C ATOM 722 CG LYS A 47 -7.393 8.594 1.740 1.00 0.00 C ATOM 723 CD LYS A 47 -7.534 8.915 0.294 1.00 0.00 C ATOM 724 CE LYS A 47 -6.754 10.116 0.005 1.00 0.00 C ATOM 725 NZ LYS A 47 -7.026 10.638 -1.357 1.00 0.00 N ATOM 0 H LYS A 47 -8.481 7.040 3.374 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.483 9.488 4.463 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -9.437 9.013 2.235 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -8.356 10.378 2.440 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -6.399 8.884 2.080 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.477 7.516 1.882 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.184 8.081 -0.314 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.582 9.075 0.043 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.986 10.885 0.742 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.692 9.891 0.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.453 11.490 -1.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.781 9.913 -2.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.035 10.877 -1.442 1.00 0.00 H new ATOM 739 N GLY A 48 -10.702 8.834 4.542 1.00 0.00 N ATOM 740 CA GLY A 48 -11.889 9.306 5.177 1.00 0.00 C ATOM 741 C GLY A 48 -11.869 8.958 6.641 1.00 0.00 C ATOM 742 O GLY A 48 -12.647 9.489 7.424 1.00 0.00 O ATOM 0 H GLY A 48 -10.787 7.961 4.020 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.971 10.386 5.054 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -12.765 8.863 4.702 1.00 0.00 H new ATOM 746 N CYS A 49 -10.968 8.075 7.006 1.00 0.00 N ATOM 747 CA CYS A 49 -10.851 7.622 8.385 1.00 0.00 C ATOM 748 C CYS A 49 -9.787 8.357 9.043 1.00 0.00 C ATOM 749 O CYS A 49 -8.725 7.804 9.135 1.00 0.00 O ATOM 750 CB CYS A 49 -10.545 6.110 8.508 1.00 0.00 C ATOM 751 SG CYS A 49 -11.930 5.053 8.039 1.00 0.00 S ATOM 0 H CYS A 49 -10.297 7.650 6.366 1.00 0.00 H new ATOM 0 HA CYS A 49 -11.817 7.803 8.855 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -9.686 5.869 7.881 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -10.261 5.888 9.537 1.00 0.00 H new ATOM 0 HG CYS A 49 -11.868 4.796 6.766 1.00 0.00 H new ATOM 757 N LYS A 50 -9.977 9.572 9.546 1.00 0.00 N ATOM 758 CA LYS A 50 -8.777 10.229 9.997 1.00 0.00 C ATOM 759 C LYS A 50 -8.218 9.753 11.282 1.00 0.00 C ATOM 760 O LYS A 50 -7.171 10.224 11.769 1.00 0.00 O ATOM 761 CB LYS A 50 -8.660 11.680 9.801 1.00 0.00 C ATOM 762 CG LYS A 50 -7.181 12.098 9.560 1.00 0.00 C ATOM 763 CD LYS A 50 -7.050 12.803 8.232 1.00 0.00 C ATOM 764 CE LYS A 50 -8.024 13.955 8.069 1.00 0.00 C ATOM 765 NZ LYS A 50 -7.641 15.137 8.865 1.00 0.00 N ATOM 0 H LYS A 50 -10.859 10.074 9.643 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.097 9.849 9.234 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.270 11.985 8.951 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.050 12.200 10.676 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.845 12.754 10.363 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.539 11.217 9.578 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.032 13.178 8.126 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.210 12.084 7.429 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.080 14.233 7.016 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.021 13.629 8.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.338 15.895 8.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.613 14.882 9.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.702 15.468 8.565 1.00 0.00 H new ATOM 779 N ARG A 51 -8.799 8.731 11.767 1.00 0.00 N ATOM 780 CA ARG A 51 -8.224 8.068 12.831 1.00 0.00 C ATOM 781 C ARG A 51 -6.876 7.416 12.361 1.00 0.00 C ATOM 782 O ARG A 51 -6.101 6.965 13.201 1.00 0.00 O ATOM 783 CB ARG A 51 -9.161 7.022 13.422 1.00 0.00 C ATOM 784 CG ARG A 51 -10.309 7.571 14.250 1.00 0.00 C ATOM 785 CD ARG A 51 -9.841 8.000 15.635 1.00 0.00 C ATOM 786 NE ARG A 51 -9.292 6.854 16.378 1.00 0.00 N ATOM 787 CZ ARG A 51 -9.072 6.799 17.695 1.00 0.00 C ATOM 788 NH1 ARG A 51 -9.381 7.829 18.474 1.00 0.00 N ATOM 789 NH2 ARG A 51 -8.566 5.690 18.227 1.00 0.00 N ATOM 0 H ARG A 51 -9.680 8.342 11.432 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.023 8.789 13.624 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.575 6.427 12.607 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.576 6.346 14.046 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.756 8.422 13.736 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.086 6.812 14.346 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.082 8.777 15.543 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -10.675 8.432 16.188 1.00 0.00 H new ATOM 0 HE ARG A 51 -9.057 6.023 15.836 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.790 8.671 18.068 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.210 7.778 19.478 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.349 4.891 17.631 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.394 5.638 19.231 1.00 0.00 H new ATOM 803 N LYS A 52 -6.619 7.433 10.985 1.00 0.00 N ATOM 804 CA LYS A 52 -5.427 6.850 10.358 1.00 0.00 C ATOM 805 C LYS A 52 -4.192 7.170 11.112 1.00 0.00 C ATOM 806 O LYS A 52 -3.614 6.298 11.784 1.00 0.00 O ATOM 807 CB LYS A 52 -5.212 7.449 8.924 1.00 0.00 C ATOM 808 CG LYS A 52 -6.095 8.551 8.549 1.00 0.00 C ATOM 809 CD LYS A 52 -5.547 9.486 7.528 1.00 0.00 C ATOM 810 CE LYS A 52 -5.526 9.067 6.133 1.00 0.00 C ATOM 811 NZ LYS A 52 -5.468 10.260 5.287 1.00 0.00 N ATOM 0 H LYS A 52 -7.256 7.861 10.313 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.598 5.774 10.334 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.181 7.794 8.847 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.335 6.648 8.195 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.029 8.134 8.172 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.339 9.121 9.446 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.120 10.411 7.586 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.524 9.726 7.816 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.664 8.427 5.943 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.416 8.481 5.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.589 9.986 4.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.227 10.916 5.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.547 10.727 5.408 1.00 0.00 H new ATOM 825 N THR A 53 -3.784 8.398 11.046 1.00 0.00 N ATOM 826 CA THR A 53 -2.743 8.819 11.816 1.00 0.00 C ATOM 827 C THR A 53 -3.089 9.437 13.168 1.00 0.00 C ATOM 828 O THR A 53 -2.289 9.409 14.101 1.00 0.00 O ATOM 829 CB THR A 53 -1.458 9.258 11.053 1.00 0.00 C ATOM 830 OG1 THR A 53 -1.814 10.246 10.056 1.00 0.00 O ATOM 831 CG2 THR A 53 -0.806 8.002 10.343 1.00 0.00 C ATOM 0 H THR A 53 -4.190 9.112 10.442 1.00 0.00 H new ATOM 0 HA THR A 53 -2.337 7.896 12.230 1.00 0.00 H new ATOM 0 HB THR A 53 -0.742 9.685 11.756 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.009 10.528 9.573 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.093 8.311 9.810 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.544 7.255 11.093 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.517 7.573 9.637 1.00 0.00 H new ATOM 839 N ASN A 54 -4.343 9.954 13.279 1.00 0.00 N ATOM 840 CA ASN A 54 -4.773 10.684 14.463 1.00 0.00 C ATOM 841 C ASN A 54 -4.819 9.793 15.684 1.00 0.00 C ATOM 842 O ASN A 54 -4.279 10.131 16.736 1.00 0.00 O ATOM 843 CB ASN A 54 -6.157 11.297 14.244 1.00 0.00 C ATOM 844 CG ASN A 54 -6.632 12.190 15.363 1.00 0.00 C ATOM 845 OD1 ASN A 54 -7.173 11.718 16.352 1.00 0.00 O ATOM 846 ND2 ASN A 54 -6.573 13.455 15.152 1.00 0.00 N ATOM 0 H ASN A 54 -5.058 9.869 12.556 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.041 11.473 14.633 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.143 11.873 13.318 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.879 10.492 14.108 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -6.986 14.104 15.822 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -6.113 13.811 14.314 1.00 0.00 H new ATOM 853 N GLY A 55 -5.441 8.648 15.532 1.00 0.00 N ATOM 854 CA GLY A 55 -5.652 7.772 16.650 1.00 0.00 C ATOM 855 C GLY A 55 -4.872 6.504 16.580 1.00 0.00 C ATOM 856 O GLY A 55 -4.926 5.690 17.509 1.00 0.00 O ATOM 0 H GLY A 55 -5.808 8.305 14.644 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.388 8.299 17.567 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.713 7.531 16.715 1.00 0.00 H new ATOM 860 N GLY A 56 -4.139 6.317 15.512 1.00 0.00 N ATOM 861 CA GLY A 56 -3.494 5.116 15.341 1.00 0.00 C ATOM 862 C GLY A 56 -4.428 4.112 14.895 1.00 0.00 C ATOM 863 O GLY A 56 -4.667 3.136 15.588 1.00 0.00 O ATOM 0 H GLY A 56 -3.997 7.002 14.770 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.691 5.226 14.612 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.033 4.805 16.279 1.00 0.00 H new ATOM 867 N CYS A 57 -5.023 4.344 13.778 1.00 0.00 N ATOM 868 CA CYS A 57 -5.803 3.292 13.227 1.00 0.00 C ATOM 869 C CYS A 57 -4.893 2.762 12.200 1.00 0.00 C ATOM 870 O CYS A 57 -4.998 3.215 11.035 1.00 0.00 O ATOM 871 CB CYS A 57 -7.174 3.764 12.563 1.00 0.00 C ATOM 872 SG CYS A 57 -8.273 2.421 12.037 1.00 0.00 S ATOM 0 H CYS A 57 -4.990 5.214 13.246 1.00 0.00 H new ATOM 0 HA CYS A 57 -6.126 2.583 13.989 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -7.708 4.392 13.276 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -6.946 4.387 11.698 1.00 0.00 H new ATOM 0 HG CYS A 57 -9.353 2.923 11.516 1.00 0.00 H new ATOM 878 N PRO A 58 -3.835 1.911 12.533 1.00 0.00 N ATOM 879 CA PRO A 58 -2.914 1.858 11.480 1.00 0.00 C ATOM 880 C PRO A 58 -3.202 0.849 10.388 1.00 0.00 C ATOM 881 O PRO A 58 -2.345 0.013 10.079 1.00 0.00 O ATOM 882 CB PRO A 58 -1.848 1.042 12.298 1.00 0.00 C ATOM 883 CG PRO A 58 -2.710 0.074 12.989 1.00 0.00 C ATOM 884 CD PRO A 58 -3.735 0.901 13.574 1.00 0.00 C ATOM 0 HA PRO A 58 -2.770 2.832 11.012 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.116 0.556 11.653 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.292 1.670 12.994 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -3.129 -0.657 12.297 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -2.161 -0.483 13.748 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -4.671 0.364 13.731 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -3.441 1.317 14.538 1.00 0.00 H new ATOM 892 N ILE A 59 -3.979 1.278 9.510 1.00 0.00 N ATOM 893 CA ILE A 59 -4.019 0.822 8.290 1.00 0.00 C ATOM 894 C ILE A 59 -3.259 1.685 7.471 1.00 0.00 C ATOM 895 O ILE A 59 -2.380 1.308 6.936 1.00 0.00 O ATOM 896 CB ILE A 59 -5.387 0.383 7.822 1.00 0.00 C ATOM 897 CG1 ILE A 59 -5.383 -0.069 6.427 1.00 0.00 C ATOM 898 CG2 ILE A 59 -6.513 1.342 8.106 1.00 0.00 C ATOM 899 CD1 ILE A 59 -5.559 1.038 5.446 1.00 0.00 C ATOM 0 H ILE A 59 -4.649 2.027 9.684 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.531 -0.150 8.223 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.610 -0.478 8.452 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -4.443 -0.581 6.221 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.180 -0.799 6.287 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.448 0.928 7.728 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.594 1.499 9.181 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.313 2.294 7.614 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.546 0.633 4.434 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.512 1.535 5.626 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.747 1.757 5.559 1.00 0.00 H new ATOM 911 N CYS A 60 -3.663 2.979 7.544 1.00 0.00 N ATOM 912 CA CYS A 60 -3.042 4.148 6.900 1.00 0.00 C ATOM 913 C CYS A 60 -1.752 4.368 7.436 1.00 0.00 C ATOM 914 O CYS A 60 -0.975 4.986 6.872 1.00 0.00 O ATOM 915 CB CYS A 60 -3.771 5.437 7.185 1.00 0.00 C ATOM 916 SG CYS A 60 -2.988 6.920 6.463 1.00 0.00 S ATOM 0 H CYS A 60 -4.483 3.242 8.090 1.00 0.00 H new ATOM 0 HA CYS A 60 -3.049 3.919 5.834 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -4.789 5.357 6.804 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -3.844 5.568 8.265 1.00 0.00 H new ATOM 0 HG CYS A 60 -2.486 7.652 7.413 1.00 0.00 H new ATOM 922 N LYS A 61 -1.559 3.934 8.562 1.00 0.00 N ATOM 923 CA LYS A 61 -0.345 4.097 9.141 1.00 0.00 C ATOM 924 C LYS A 61 0.539 3.083 8.632 1.00 0.00 C ATOM 925 O LYS A 61 1.659 3.388 8.272 1.00 0.00 O ATOM 926 CB LYS A 61 -0.434 4.029 10.533 1.00 0.00 C ATOM 927 CG LYS A 61 0.801 4.445 11.158 1.00 0.00 C ATOM 928 CD LYS A 61 0.790 3.960 12.538 1.00 0.00 C ATOM 929 CE LYS A 61 -0.488 4.311 13.344 1.00 0.00 C ATOM 930 NZ LYS A 61 -0.259 4.119 14.796 1.00 0.00 N ATOM 0 H LYS A 61 -2.251 3.443 9.127 1.00 0.00 H new ATOM 0 HA LYS A 61 0.045 5.085 8.897 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.251 4.663 10.879 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.672 3.009 10.835 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.657 4.041 10.618 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.894 5.531 11.136 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.909 2.877 12.528 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.655 4.371 13.059 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.775 5.344 13.149 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.316 3.683 13.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.142 3.807 15.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.477 3.398 14.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.049 5.017 15.221 1.00 0.00 H new ATOM 944 N GLN A 62 0.058 1.854 8.556 1.00 0.00 N ATOM 945 CA GLN A 62 0.887 0.899 7.925 1.00 0.00 C ATOM 946 C GLN A 62 0.858 1.013 6.402 1.00 0.00 C ATOM 947 O GLN A 62 1.744 0.590 5.750 1.00 0.00 O ATOM 948 CB GLN A 62 0.654 -0.443 8.466 1.00 0.00 C ATOM 949 CG GLN A 62 0.928 -0.458 9.963 1.00 0.00 C ATOM 950 CD GLN A 62 0.740 -1.813 10.530 1.00 0.00 C ATOM 951 OE1 GLN A 62 -0.348 -2.171 10.968 1.00 0.00 O ATOM 952 NE2 GLN A 62 1.786 -2.571 10.572 1.00 0.00 N ATOM 0 H GLN A 62 -0.844 1.528 8.904 1.00 0.00 H new ATOM 0 HA GLN A 62 1.925 1.123 8.171 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -0.375 -0.748 8.274 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.299 -1.163 7.963 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.947 -0.120 10.152 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.262 0.244 10.464 1.00 0.00 H new ATOM 0 HE21 GLN A 62 2.674 -2.237 10.197 1.00 0.00 H new ATOM 0 HE22 GLN A 62 1.724 -3.504 10.980 1.00 0.00 H new ATOM 961 N LEU A 63 -0.175 1.594 5.908 1.00 0.00 N ATOM 962 CA LEU A 63 -0.361 1.990 4.561 1.00 0.00 C ATOM 963 C LEU A 63 0.496 3.212 4.203 1.00 0.00 C ATOM 964 O LEU A 63 1.050 3.221 3.215 1.00 0.00 O ATOM 965 CB LEU A 63 -1.822 2.184 4.269 1.00 0.00 C ATOM 966 CG LEU A 63 -2.214 3.162 3.264 1.00 0.00 C ATOM 967 CD1 LEU A 63 -1.613 2.807 1.949 1.00 0.00 C ATOM 968 CD2 LEU A 63 -3.620 3.069 3.151 1.00 0.00 C ATOM 0 H LEU A 63 -0.982 1.824 6.488 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.010 1.188 3.911 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.229 1.219 3.966 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.312 2.457 5.204 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.884 4.162 3.544 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.911 3.543 1.202 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.527 2.798 2.036 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.961 1.820 1.644 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.973 3.783 2.407 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.894 2.060 2.844 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.078 3.292 4.115 1.00 0.00 H new ATOM 980 N ILE A 64 0.525 4.260 5.014 1.00 0.00 N ATOM 981 CA ILE A 64 1.523 5.358 4.881 1.00 0.00 C ATOM 982 C ILE A 64 2.862 4.735 4.895 1.00 0.00 C ATOM 983 O ILE A 64 3.661 5.018 4.096 1.00 0.00 O ATOM 984 CB ILE A 64 1.457 6.412 6.084 1.00 0.00 C ATOM 985 CG1 ILE A 64 0.380 7.479 5.930 1.00 0.00 C ATOM 986 CG2 ILE A 64 2.788 6.958 6.602 1.00 0.00 C ATOM 987 CD1 ILE A 64 0.482 8.647 6.899 1.00 0.00 C ATOM 0 H ILE A 64 -0.131 4.390 5.784 1.00 0.00 H new ATOM 0 HA ILE A 64 1.311 5.900 3.960 1.00 0.00 H new ATOM 0 HB ILE A 64 1.129 5.775 6.905 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.419 7.868 4.912 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.595 7.009 6.054 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.602 7.660 7.415 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.401 6.135 6.968 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.311 7.469 5.794 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.329 9.350 6.708 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.409 8.278 7.922 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.439 9.151 6.762 1.00 0.00 H new ATOM 999 N ALA A 65 3.056 3.877 5.831 1.00 0.00 N ATOM 1000 CA ALA A 65 4.245 3.129 5.946 1.00 0.00 C ATOM 1001 C ALA A 65 4.506 2.401 4.645 1.00 0.00 C ATOM 1002 O ALA A 65 5.559 2.418 4.122 1.00 0.00 O ATOM 1003 CB ALA A 65 4.047 2.136 7.005 1.00 0.00 C ATOM 0 H ALA A 65 2.369 3.674 6.557 1.00 0.00 H new ATOM 0 HA ALA A 65 5.086 3.784 6.174 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.952 1.540 7.118 1.00 0.00 H new ATOM 0 HB2 ALA A 65 3.827 2.644 7.944 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.214 1.484 6.742 1.00 0.00 H new ATOM 1009 N LEU A 66 3.501 1.806 4.157 1.00 0.00 N ATOM 1010 CA LEU A 66 3.515 1.111 2.942 1.00 0.00 C ATOM 1011 C LEU A 66 3.781 2.054 1.712 1.00 0.00 C ATOM 1012 O LEU A 66 4.770 1.892 0.986 1.00 0.00 O ATOM 1013 CB LEU A 66 2.196 0.357 2.846 1.00 0.00 C ATOM 1014 CG LEU A 66 1.832 -0.195 1.520 1.00 0.00 C ATOM 1015 CD1 LEU A 66 2.643 -1.327 1.256 1.00 0.00 C ATOM 1016 CD2 LEU A 66 0.351 -0.537 1.291 1.00 0.00 C ATOM 0 H LEU A 66 2.592 1.789 4.620 1.00 0.00 H new ATOM 0 HA LEU A 66 4.345 0.405 2.915 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.224 -0.466 3.560 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.398 1.028 3.164 1.00 0.00 H new ATOM 0 HG LEU A 66 2.015 0.619 0.818 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.383 -1.741 0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.692 -1.031 1.256 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.478 -2.080 2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.220 -0.931 0.283 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.034 -1.285 2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.253 0.363 1.410 1.00 0.00 H new ATOM 1028 N ALA A 67 2.911 3.025 1.541 1.00 0.00 N ATOM 1029 CA ALA A 67 2.891 3.993 0.510 1.00 0.00 C ATOM 1030 C ALA A 67 4.111 4.894 0.531 1.00 0.00 C ATOM 1031 O ALA A 67 4.782 5.035 -0.466 1.00 0.00 O ATOM 1032 CB ALA A 67 1.626 4.821 0.648 1.00 0.00 C ATOM 0 H ALA A 67 2.135 3.153 2.190 1.00 0.00 H new ATOM 0 HA ALA A 67 2.908 3.471 -0.447 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.595 5.573 -0.141 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.755 4.171 0.564 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.618 5.314 1.620 1.00 0.00 H new ATOM 1038 N ALA A 68 4.356 5.520 1.652 1.00 0.00 N ATOM 1039 CA ALA A 68 5.485 6.432 1.852 1.00 0.00 C ATOM 1040 C ALA A 68 6.791 5.777 1.774 1.00 0.00 C ATOM 1041 O ALA A 68 7.719 6.339 1.257 1.00 0.00 O ATOM 1042 CB ALA A 68 5.437 7.127 3.163 1.00 0.00 C ATOM 0 H ALA A 68 3.770 5.417 2.480 1.00 0.00 H new ATOM 0 HA ALA A 68 5.379 7.143 1.033 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.298 7.789 3.256 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.520 7.712 3.231 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.458 6.390 3.966 1.00 0.00 H new ATOM 1048 N TYR A 69 6.912 4.624 2.325 1.00 0.00 N ATOM 1049 CA TYR A 69 8.142 3.969 2.281 1.00 0.00 C ATOM 1050 C TYR A 69 8.371 3.431 0.888 1.00 0.00 C ATOM 1051 O TYR A 69 9.503 3.277 0.442 1.00 0.00 O ATOM 1052 CB TYR A 69 8.190 2.962 3.364 1.00 0.00 C ATOM 1053 CG TYR A 69 8.235 3.518 4.818 1.00 0.00 C ATOM 1054 CD1 TYR A 69 8.052 4.870 5.105 1.00 0.00 C ATOM 1055 CD2 TYR A 69 8.427 2.661 5.891 1.00 0.00 C ATOM 1056 CE1 TYR A 69 8.059 5.335 6.406 1.00 0.00 C ATOM 1057 CE2 TYR A 69 8.442 3.118 7.191 1.00 0.00 C ATOM 1058 CZ TYR A 69 8.255 4.453 7.444 1.00 0.00 C ATOM 1059 OH TYR A 69 8.253 4.909 8.745 1.00 0.00 O ATOM 0 H TYR A 69 6.166 4.124 2.809 1.00 0.00 H new ATOM 0 HA TYR A 69 8.975 4.646 2.470 1.00 0.00 H new ATOM 0 HB2 TYR A 69 7.317 2.317 3.271 1.00 0.00 H new ATOM 0 HB3 TYR A 69 9.068 2.334 3.210 1.00 0.00 H new ATOM 0 HD1 TYR A 69 7.902 5.568 4.294 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.569 1.607 5.703 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.911 6.386 6.607 1.00 0.00 H new ATOM 0 HE2 TYR A 69 8.600 2.428 8.007 1.00 0.00 H new ATOM 0 HH TYR A 69 8.404 4.157 9.355 1.00 0.00 H new ATOM 1069 N HIS A 70 7.273 3.176 0.201 1.00 0.00 N ATOM 1070 CA HIS A 70 7.315 2.926 -1.260 1.00 0.00 C ATOM 1071 C HIS A 70 7.856 4.156 -1.928 1.00 0.00 C ATOM 1072 O HIS A 70 8.828 4.108 -2.644 1.00 0.00 O ATOM 1073 CB HIS A 70 5.905 2.677 -1.887 1.00 0.00 C ATOM 1074 CG HIS A 70 5.888 2.530 -3.391 1.00 0.00 C ATOM 1075 ND1 HIS A 70 6.574 1.713 -4.231 1.00 0.00 N flip ATOM 1076 CD2 HIS A 70 5.027 3.261 -4.191 1.00 0.00 C flip ATOM 1077 CE1 HIS A 70 6.109 1.968 -5.493 1.00 0.00 C flip ATOM 1078 NE2 HIS A 70 5.182 2.900 -5.441 1.00 0.00 N flip ATOM 0 H HIS A 70 6.340 3.133 0.611 1.00 0.00 H new ATOM 0 HA HIS A 70 7.927 2.036 -1.409 1.00 0.00 H new ATOM 0 HB2 HIS A 70 5.482 1.775 -1.445 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.251 3.504 -1.611 1.00 0.00 H new ATOM 0 HD2 HIS A 70 4.335 4.012 -3.840 1.00 0.00 H new ATOM 0 HE1 HIS A 70 6.451 1.479 -6.393 1.00 0.00 H new ATOM 0 HE2 HIS A 70 4.671 3.278 -6.239 1.00 0.00 H new ATOM 1087 N ALA A 71 7.143 5.225 -1.675 1.00 0.00 N ATOM 1088 CA ALA A 71 7.343 6.559 -2.172 1.00 0.00 C ATOM 1089 C ALA A 71 8.745 6.951 -2.095 1.00 0.00 C ATOM 1090 O ALA A 71 9.343 7.331 -3.072 1.00 0.00 O ATOM 1091 CB ALA A 71 6.609 7.444 -1.261 1.00 0.00 C ATOM 0 H ALA A 71 6.333 5.176 -1.058 1.00 0.00 H new ATOM 0 HA ALA A 71 7.015 6.616 -3.210 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.723 8.478 -1.587 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.552 7.176 -1.266 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.005 7.337 -0.251 1.00 0.00 H new ATOM 1097 N LYS A 72 9.247 6.761 -0.928 1.00 0.00 N ATOM 1098 CA LYS A 72 10.564 7.110 -0.532 1.00 0.00 C ATOM 1099 C LYS A 72 11.617 6.660 -1.569 1.00 0.00 C ATOM 1100 O LYS A 72 12.470 7.462 -1.979 1.00 0.00 O ATOM 1101 CB LYS A 72 10.848 6.479 0.806 1.00 0.00 C ATOM 1102 CG LYS A 72 10.594 7.353 1.984 1.00 0.00 C ATOM 1103 CD LYS A 72 10.952 6.565 3.184 1.00 0.00 C ATOM 1104 CE LYS A 72 10.820 7.343 4.479 1.00 0.00 C ATOM 1105 NZ LYS A 72 11.802 8.445 4.574 1.00 0.00 N ATOM 0 H LYS A 72 8.713 6.329 -0.174 1.00 0.00 H new ATOM 0 HA LYS A 72 10.630 8.196 -0.461 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.239 5.580 0.903 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.891 6.162 0.827 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.191 8.263 1.926 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.549 7.659 2.020 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.314 5.682 3.233 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.978 6.212 3.084 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.812 7.750 4.555 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.954 6.666 5.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 11.754 8.872 5.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.759 8.072 4.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.584 9.167 3.858 1.00 0.00 H new ATOM 1119 N HIS A 73 11.545 5.403 -2.036 1.00 0.00 N ATOM 1120 CA HIS A 73 12.449 4.985 -3.123 1.00 0.00 C ATOM 1121 C HIS A 73 11.674 4.708 -4.437 1.00 0.00 C ATOM 1122 O HIS A 73 12.165 4.034 -5.344 1.00 0.00 O ATOM 1123 CB HIS A 73 13.372 3.799 -2.718 1.00 0.00 C ATOM 1124 CG HIS A 73 14.542 3.591 -3.653 1.00 0.00 C ATOM 1125 ND1 HIS A 73 15.660 4.386 -3.638 1.00 0.00 N ATOM 1126 CD2 HIS A 73 14.754 2.676 -4.632 1.00 0.00 C ATOM 1127 CE1 HIS A 73 16.502 3.978 -4.562 1.00 0.00 C ATOM 1128 NE2 HIS A 73 15.978 2.943 -5.177 1.00 0.00 N ATOM 0 H HIS A 73 10.902 4.686 -1.698 1.00 0.00 H new ATOM 0 HA HIS A 73 13.115 5.826 -3.315 1.00 0.00 H new ATOM 0 HB2 HIS A 73 13.750 3.972 -1.710 1.00 0.00 H new ATOM 0 HB3 HIS A 73 12.779 2.885 -2.683 1.00 0.00 H new ATOM 0 HD2 HIS A 73 14.081 1.884 -4.926 1.00 0.00 H new ATOM 0 HE1 HIS A 73 17.463 4.420 -4.779 1.00 0.00 H new ATOM 0 HE2 HIS A 73 16.414 2.423 -5.938 1.00 0.00 H new ATOM 1137 N CYS A 74 10.490 5.252 -4.566 1.00 0.00 N ATOM 1138 CA CYS A 74 9.791 5.118 -5.807 1.00 0.00 C ATOM 1139 C CYS A 74 10.044 6.393 -6.516 1.00 0.00 C ATOM 1140 O CYS A 74 10.395 7.367 -5.873 1.00 0.00 O ATOM 1141 CB CYS A 74 8.228 4.789 -5.701 1.00 0.00 C ATOM 1142 SG CYS A 74 7.483 4.396 -7.314 1.00 0.00 S ATOM 0 H CYS A 74 10.003 5.780 -3.841 1.00 0.00 H new ATOM 0 HA CYS A 74 10.162 4.242 -6.339 1.00 0.00 H new ATOM 0 HB2 CYS A 74 8.083 3.947 -5.024 1.00 0.00 H new ATOM 0 HB3 CYS A 74 7.710 5.643 -5.264 1.00 0.00 H new ATOM 0 HG CYS A 74 6.212 4.665 -7.282 1.00 0.00 H new ATOM 1148 N GLN A 75 9.882 6.447 -7.780 1.00 0.00 N ATOM 1149 CA GLN A 75 10.065 7.652 -8.418 1.00 0.00 C ATOM 1150 C GLN A 75 8.842 7.769 -9.269 1.00 0.00 C ATOM 1151 O GLN A 75 8.761 7.217 -10.366 1.00 0.00 O ATOM 1152 CB GLN A 75 11.378 7.711 -9.189 1.00 0.00 C ATOM 1153 CG GLN A 75 12.149 8.981 -8.898 1.00 0.00 C ATOM 1154 CD GLN A 75 12.527 9.170 -7.409 1.00 0.00 C ATOM 1155 OE1 GLN A 75 13.582 8.691 -6.984 1.00 0.00 O ATOM 1156 NE2 GLN A 75 11.738 9.927 -6.614 1.00 0.00 N ATOM 0 H GLN A 75 9.623 5.662 -8.378 1.00 0.00 H new ATOM 0 HA GLN A 75 10.165 8.497 -7.737 1.00 0.00 H new ATOM 0 HB2 GLN A 75 11.990 6.847 -8.929 1.00 0.00 H new ATOM 0 HB3 GLN A 75 11.174 7.647 -10.258 1.00 0.00 H new ATOM 0 HG2 GLN A 75 13.061 8.983 -9.495 1.00 0.00 H new ATOM 0 HG3 GLN A 75 11.554 9.835 -9.221 1.00 0.00 H new ATOM 0 HE21 GLN A 75 10.869 10.316 -6.980 1.00 0.00 H new ATOM 0 HE22 GLN A 75 12.012 10.109 -5.648 1.00 0.00 H new ATOM 1165 N GLU A 76 7.855 8.394 -8.697 1.00 0.00 N ATOM 1166 CA GLU A 76 6.525 8.330 -9.140 1.00 0.00 C ATOM 1167 C GLU A 76 5.906 9.499 -8.594 1.00 0.00 C ATOM 1168 O GLU A 76 5.895 9.663 -7.386 1.00 0.00 O ATOM 1169 CB GLU A 76 5.823 7.075 -8.593 1.00 0.00 C ATOM 1170 CG GLU A 76 4.302 7.079 -8.681 1.00 0.00 C ATOM 1171 CD GLU A 76 3.713 6.115 -7.670 1.00 0.00 C ATOM 1172 OE1 GLU A 76 3.977 4.898 -7.778 1.00 0.00 O ATOM 1173 OE2 GLU A 76 3.020 6.578 -6.739 1.00 0.00 O ATOM 0 H GLU A 76 7.978 8.984 -7.874 1.00 0.00 H new ATOM 0 HA GLU A 76 6.464 8.282 -10.227 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.198 6.206 -9.134 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.108 6.947 -7.549 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.923 8.085 -8.498 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.989 6.798 -9.687 1.00 0.00 H new ATOM 1180 N ASN A 77 5.453 10.315 -9.436 1.00 0.00 N ATOM 1181 CA ASN A 77 4.905 11.535 -9.044 1.00 0.00 C ATOM 1182 C ASN A 77 3.464 11.552 -9.499 1.00 0.00 C ATOM 1183 O ASN A 77 2.739 12.536 -9.399 1.00 0.00 O ATOM 1184 CB ASN A 77 5.782 12.636 -9.591 1.00 0.00 C ATOM 1185 CG ASN A 77 5.491 13.988 -8.971 1.00 0.00 C ATOM 1186 OD1 ASN A 77 4.745 14.795 -9.529 1.00 0.00 O ATOM 1187 ND2 ASN A 77 6.015 14.219 -7.811 1.00 0.00 N ATOM 0 H ASN A 77 5.450 10.154 -10.443 1.00 0.00 H new ATOM 0 HA ASN A 77 4.882 11.689 -7.965 1.00 0.00 H new ATOM 0 HB2 ASN A 77 6.827 12.380 -9.418 1.00 0.00 H new ATOM 0 HB3 ASN A 77 5.644 12.700 -10.670 1.00 0.00 H new ATOM 0 HD21 ASN A 77 5.815 15.094 -7.326 1.00 0.00 H new ATOM 0 HD22 ASN A 77 6.628 13.526 -7.381 1.00 0.00 H new ATOM 1194 N LYS A 78 3.081 10.386 -10.004 1.00 0.00 N ATOM 1195 CA LYS A 78 1.819 10.083 -10.654 1.00 0.00 C ATOM 1196 C LYS A 78 0.567 10.407 -9.890 1.00 0.00 C ATOM 1197 O LYS A 78 -0.525 10.440 -10.464 1.00 0.00 O ATOM 1198 CB LYS A 78 1.844 8.679 -11.134 1.00 0.00 C ATOM 1199 CG LYS A 78 2.603 8.559 -12.420 1.00 0.00 C ATOM 1200 CD LYS A 78 3.312 7.269 -12.511 1.00 0.00 C ATOM 1201 CE LYS A 78 2.374 6.080 -12.428 1.00 0.00 C ATOM 1202 NZ LYS A 78 3.082 4.795 -12.571 1.00 0.00 N ATOM 0 H LYS A 78 3.692 9.570 -9.965 1.00 0.00 H new ATOM 0 HA LYS A 78 1.749 10.775 -11.493 1.00 0.00 H new ATOM 0 HB2 LYS A 78 2.302 8.042 -10.378 1.00 0.00 H new ATOM 0 HB3 LYS A 78 0.824 8.322 -11.276 1.00 0.00 H new ATOM 0 HG2 LYS A 78 1.915 8.657 -13.260 1.00 0.00 H new ATOM 0 HG3 LYS A 78 3.320 9.376 -12.498 1.00 0.00 H new ATOM 0 HD2 LYS A 78 3.863 7.227 -13.450 1.00 0.00 H new ATOM 0 HD3 LYS A 78 4.046 7.205 -11.708 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.851 6.099 -11.472 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.616 6.163 -13.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.481 4.026 -12.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 3.297 4.627 -13.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 3.968 4.824 -12.027 1.00 0.00 H new ATOM 1216 N CYS A 79 0.728 10.590 -8.625 1.00 0.00 N ATOM 1217 CA CYS A 79 -0.304 11.027 -7.736 1.00 0.00 C ATOM 1218 C CYS A 79 -1.392 9.972 -7.456 1.00 0.00 C ATOM 1219 O CYS A 79 -2.533 10.360 -7.185 1.00 0.00 O ATOM 1220 CB CYS A 79 -0.904 12.380 -8.235 1.00 0.00 C ATOM 1221 SG CYS A 79 -2.055 13.196 -7.100 1.00 0.00 S ATOM 0 H CYS A 79 1.621 10.433 -8.157 1.00 0.00 H new ATOM 0 HA CYS A 79 0.167 11.185 -6.766 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -0.082 13.065 -8.445 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -1.419 12.202 -9.179 1.00 0.00 H new ATOM 0 HG CYS A 79 -2.875 12.316 -6.607 1.00 0.00 H new ATOM 1227 N PRO A 80 -1.154 8.608 -7.457 1.00 0.00 N ATOM 1228 CA PRO A 80 -2.228 7.797 -7.146 1.00 0.00 C ATOM 1229 C PRO A 80 -2.341 7.442 -5.687 1.00 0.00 C ATOM 1230 O PRO A 80 -3.430 7.478 -5.096 1.00 0.00 O ATOM 1231 CB PRO A 80 -2.063 6.619 -8.077 1.00 0.00 C ATOM 1232 CG PRO A 80 -0.595 6.448 -8.290 1.00 0.00 C ATOM 1233 CD PRO A 80 0.043 7.743 -7.852 1.00 0.00 C ATOM 0 HA PRO A 80 -3.183 8.301 -7.296 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.499 5.719 -7.644 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -2.574 6.798 -9.023 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -0.212 5.609 -7.710 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -0.374 6.239 -9.337 1.00 0.00 H new ATOM 0 HD2 PRO A 80 0.725 7.593 -7.015 1.00 0.00 H new ATOM 0 HD3 PRO A 80 0.621 8.199 -8.656 1.00 0.00 H new ATOM 1241 N VAL A 81 -1.250 7.190 -5.103 1.00 0.00 N ATOM 1242 CA VAL A 81 -1.209 6.621 -3.832 1.00 0.00 C ATOM 1243 C VAL A 81 -1.183 7.654 -2.747 1.00 0.00 C ATOM 1244 O VAL A 81 -0.497 8.720 -2.881 1.00 0.00 O ATOM 1245 CB VAL A 81 0.001 5.652 -3.758 1.00 0.00 C ATOM 1246 CG1 VAL A 81 0.146 4.945 -2.418 1.00 0.00 C ATOM 1247 CG2 VAL A 81 -0.159 4.649 -4.838 1.00 0.00 C ATOM 0 H VAL A 81 -0.333 7.379 -5.507 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.126 6.056 -3.664 1.00 0.00 H new ATOM 0 HB VAL A 81 0.909 6.244 -3.877 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.014 4.286 -2.446 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.278 5.685 -1.629 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -0.750 4.357 -2.218 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.678 3.951 -4.813 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.091 4.103 -4.692 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.181 5.154 -5.803 1.00 0.00 H new ATOM 1257 N PRO A 82 -1.923 7.340 -1.616 1.00 0.00 N ATOM 1258 CA PRO A 82 -1.895 8.079 -0.407 1.00 0.00 C ATOM 1259 C PRO A 82 -0.490 8.052 0.012 1.00 0.00 C ATOM 1260 O PRO A 82 0.258 7.252 -0.484 1.00 0.00 O ATOM 1261 CB PRO A 82 -2.782 7.306 0.577 1.00 0.00 C ATOM 1262 CG PRO A 82 -2.701 5.956 0.048 1.00 0.00 C ATOM 1263 CD PRO A 82 -2.716 6.163 -1.439 1.00 0.00 C ATOM 0 HA PRO A 82 -2.250 9.107 -0.480 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.410 7.368 1.600 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.805 7.681 0.587 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -1.792 5.451 0.374 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.541 5.345 0.377 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.292 5.309 -1.968 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.730 6.301 -1.816 1.00 0.00 H new ATOM 1271 N PHE A 83 -0.214 8.703 1.011 1.00 0.00 N ATOM 1272 CA PHE A 83 1.038 9.316 1.216 1.00 0.00 C ATOM 1273 C PHE A 83 2.248 8.511 0.753 1.00 0.00 C ATOM 1274 O PHE A 83 2.818 7.718 1.413 1.00 0.00 O ATOM 1275 CB PHE A 83 1.132 9.718 2.634 1.00 0.00 C ATOM 1276 CG PHE A 83 -0.196 10.248 3.167 1.00 0.00 C ATOM 1277 CD1 PHE A 83 -1.140 9.351 3.672 1.00 0.00 C ATOM 1278 CD2 PHE A 83 -0.529 11.587 3.122 1.00 0.00 C ATOM 1279 CE1 PHE A 83 -2.350 9.757 4.100 1.00 0.00 C ATOM 1280 CE2 PHE A 83 -1.773 12.005 3.574 1.00 0.00 C ATOM 1281 CZ PHE A 83 -2.679 11.066 4.059 1.00 0.00 C ATOM 0 H PHE A 83 -0.872 8.853 1.776 1.00 0.00 H new ATOM 0 HA PHE A 83 1.078 10.192 0.568 1.00 0.00 H new ATOM 0 HB2 PHE A 83 1.448 8.864 3.233 1.00 0.00 H new ATOM 0 HB3 PHE A 83 1.899 10.485 2.743 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -0.892 8.301 3.721 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.177 12.308 2.736 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -3.059 9.035 4.477 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.036 13.052 3.550 1.00 0.00 H new ATOM 0 HZ PHE A 83 -3.651 11.386 4.405 1.00 0.00 H new ATOM 1291 N CYS A 84 2.464 8.838 -0.464 1.00 0.00 N ATOM 1292 CA CYS A 84 3.369 8.490 -1.490 1.00 0.00 C ATOM 1293 C CYS A 84 3.683 9.852 -1.975 1.00 0.00 C ATOM 1294 O CYS A 84 3.801 10.699 -1.132 1.00 0.00 O ATOM 1295 CB CYS A 84 2.831 7.501 -2.596 1.00 0.00 C ATOM 1296 SG CYS A 84 3.966 7.166 -3.995 1.00 0.00 S ATOM 0 H CYS A 84 1.836 9.543 -0.851 1.00 0.00 H new ATOM 0 HA CYS A 84 4.218 7.894 -1.157 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.585 6.553 -2.118 1.00 0.00 H new ATOM 0 HB3 CYS A 84 1.902 7.906 -2.997 1.00 0.00 H new ATOM 0 HG CYS A 84 3.273 6.920 -5.067 1.00 0.00 H new ATOM 1302 N LEU A 85 3.944 10.016 -3.240 1.00 0.00 N ATOM 1303 CA LEU A 85 4.466 11.217 -3.991 1.00 0.00 C ATOM 1304 C LEU A 85 4.130 12.724 -3.512 1.00 0.00 C ATOM 1305 O LEU A 85 4.308 13.695 -4.253 1.00 0.00 O ATOM 1306 CB LEU A 85 4.086 11.071 -5.508 1.00 0.00 C ATOM 1307 CG LEU A 85 2.587 11.018 -5.977 1.00 0.00 C ATOM 1308 CD1 LEU A 85 1.802 9.797 -5.506 1.00 0.00 C ATOM 1309 CD2 LEU A 85 1.895 12.270 -5.609 1.00 0.00 C ATOM 0 H LEU A 85 3.791 9.240 -3.884 1.00 0.00 H new ATOM 0 HA LEU A 85 5.530 11.159 -3.761 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.553 11.904 -6.033 1.00 0.00 H new ATOM 0 HB3 LEU A 85 4.563 10.159 -5.868 1.00 0.00 H new ATOM 0 HG LEU A 85 2.624 10.915 -7.062 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.780 9.854 -5.882 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.277 8.891 -5.883 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.787 9.772 -4.416 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.857 12.223 -5.939 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.927 12.399 -4.527 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.390 13.114 -6.089 1.00 0.00 H new ATOM 1321 N ASN A 86 3.738 12.853 -2.317 1.00 0.00 N ATOM 1322 CA ASN A 86 3.557 14.095 -1.587 1.00 0.00 C ATOM 1323 C ASN A 86 4.543 14.104 -0.384 1.00 0.00 C ATOM 1324 O ASN A 86 4.961 15.167 0.085 1.00 0.00 O ATOM 1325 CB ASN A 86 2.079 14.339 -1.153 1.00 0.00 C ATOM 1326 CG ASN A 86 1.445 13.288 -0.224 1.00 0.00 C ATOM 1327 OD1 ASN A 86 2.100 12.650 0.605 1.00 0.00 O ATOM 1328 ND2 ASN A 86 0.153 13.111 -0.359 1.00 0.00 N ATOM 0 H ASN A 86 3.507 12.040 -1.746 1.00 0.00 H new ATOM 0 HA ASN A 86 3.785 14.931 -2.249 1.00 0.00 H new ATOM 0 HB2 ASN A 86 2.027 15.307 -0.656 1.00 0.00 H new ATOM 0 HB3 ASN A 86 1.468 14.409 -2.053 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -0.333 12.434 0.229 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -0.366 13.651 -1.052 1.00 0.00 H new ATOM 1335 N ILE A 87 4.913 12.879 0.096 1.00 0.00 N ATOM 1336 CA ILE A 87 5.996 12.658 1.104 1.00 0.00 C ATOM 1337 C ILE A 87 7.310 13.056 0.463 1.00 0.00 C ATOM 1338 O ILE A 87 8.228 13.590 1.084 1.00 0.00 O ATOM 1339 CB ILE A 87 6.047 11.115 1.551 1.00 0.00 C ATOM 1340 CG1 ILE A 87 4.953 10.801 2.597 1.00 0.00 C ATOM 1341 CG2 ILE A 87 7.450 10.585 1.969 1.00 0.00 C ATOM 1342 CD1 ILE A 87 5.064 11.585 3.892 1.00 0.00 C ATOM 0 H ILE A 87 4.466 12.014 -0.207 1.00 0.00 H new ATOM 0 HA ILE A 87 5.806 13.256 1.995 1.00 0.00 H new ATOM 0 HB ILE A 87 5.827 10.550 0.645 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.978 10.999 2.152 1.00 0.00 H new ATOM 0 HG13 ILE A 87 4.988 9.737 2.829 1.00 0.00 H new ATOM 0 HG21 ILE A 87 7.373 9.535 2.252 1.00 0.00 H new ATOM 0 HG22 ILE A 87 8.141 10.686 1.132 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.820 11.163 2.816 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.254 11.297 4.562 1.00 0.00 H new ATOM 0 HD12 ILE A 87 6.022 11.370 4.366 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.996 12.652 3.678 1.00 0.00 H new ATOM 1354 N LYS A 88 7.317 12.825 -0.788 1.00 0.00 N ATOM 1355 CA LYS A 88 8.382 13.044 -1.680 1.00 0.00 C ATOM 1356 C LYS A 88 7.843 13.759 -2.843 1.00 0.00 C ATOM 1357 O LYS A 88 7.005 13.223 -3.529 1.00 0.00 O ATOM 1358 CB LYS A 88 8.918 11.674 -2.104 1.00 0.00 C ATOM 1359 CG LYS A 88 7.834 10.613 -2.359 1.00 0.00 C ATOM 1360 CD LYS A 88 7.638 10.328 -3.823 1.00 0.00 C ATOM 1361 CE LYS A 88 8.875 9.832 -4.443 1.00 0.00 C ATOM 1362 NZ LYS A 88 8.609 9.305 -5.757 1.00 0.00 N ATOM 0 H LYS A 88 6.498 12.441 -1.260 1.00 0.00 H new ATOM 0 HA LYS A 88 9.184 13.628 -1.229 1.00 0.00 H new ATOM 0 HB2 LYS A 88 9.510 11.795 -3.011 1.00 0.00 H new ATOM 0 HB3 LYS A 88 9.592 11.307 -1.330 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.106 9.690 -1.846 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.891 10.951 -1.929 1.00 0.00 H new ATOM 0 HD2 LYS A 88 6.845 9.591 -3.949 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.313 11.236 -4.332 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.604 10.640 -4.510 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.316 9.056 -3.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 8.927 8.316 -5.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 7.588 9.350 -5.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.120 9.868 -6.467 1.00 0.00 H new ATOM 1376 N GLN A 89 8.209 14.979 -3.068 1.00 0.00 N ATOM 1377 CA GLN A 89 7.755 15.505 -4.285 1.00 0.00 C ATOM 1378 C GLN A 89 8.734 15.091 -5.327 1.00 0.00 C ATOM 1379 O GLN A 89 9.761 15.775 -5.536 1.00 0.00 O ATOM 1380 CB GLN A 89 7.616 17.005 -4.287 1.00 0.00 C ATOM 1381 CG GLN A 89 6.512 17.507 -3.384 1.00 0.00 C ATOM 1382 CD GLN A 89 6.289 18.993 -3.491 1.00 0.00 C ATOM 1383 OE1 GLN A 89 5.469 19.468 -4.291 1.00 0.00 O ATOM 1384 NE2 GLN A 89 6.994 19.735 -2.703 1.00 0.00 N ATOM 0 H GLN A 89 8.776 15.580 -2.471 1.00 0.00 H new ATOM 0 HA GLN A 89 6.753 15.119 -4.473 1.00 0.00 H new ATOM 0 HB2 GLN A 89 8.561 17.450 -3.975 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.424 17.343 -5.305 1.00 0.00 H new ATOM 0 HG2 GLN A 89 5.586 16.988 -3.630 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.753 17.256 -2.351 1.00 0.00 H new ATOM 0 HE21 GLN A 89 7.659 19.307 -2.058 1.00 0.00 H new ATOM 0 HE22 GLN A 89 6.886 20.749 -2.725 1.00 0.00 H new ATOM 1393 N LYS A 90 8.454 13.967 -5.946 1.00 0.00 N ATOM 1394 CA LYS A 90 9.230 13.433 -7.009 1.00 0.00 C ATOM 1395 C LYS A 90 8.604 12.091 -7.220 1.00 0.00 C ATOM 1396 O LYS A 90 7.425 12.000 -6.946 1.00 0.00 O ATOM 1397 CB LYS A 90 10.716 13.255 -6.604 1.00 0.00 C ATOM 1398 CG LYS A 90 11.680 13.032 -7.763 1.00 0.00 C ATOM 1399 CD LYS A 90 11.786 14.263 -8.642 1.00 0.00 C ATOM 1400 CE LYS A 90 12.392 15.447 -7.896 1.00 0.00 C ATOM 1401 NZ LYS A 90 13.764 15.164 -7.408 1.00 0.00 N ATOM 1402 OXT LYS A 90 9.286 11.097 -7.580 1.00 0.00 O ATOM 0 H LYS A 90 7.649 13.390 -5.704 1.00 0.00 H new ATOM 0 HA LYS A 90 9.237 14.077 -7.888 1.00 0.00 H new ATOM 0 HB2 LYS A 90 11.034 14.139 -6.052 1.00 0.00 H new ATOM 0 HB3 LYS A 90 10.791 12.409 -5.921 1.00 0.00 H new ATOM 0 HG2 LYS A 90 12.665 12.775 -7.374 1.00 0.00 H new ATOM 0 HG3 LYS A 90 11.343 12.185 -8.360 1.00 0.00 H new ATOM 0 HD2 LYS A 90 12.397 14.034 -9.515 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.796 14.534 -9.008 1.00 0.00 H new ATOM 0 HE2 LYS A 90 12.415 16.315 -8.555 1.00 0.00 H new ATOM 0 HE3 LYS A 90 11.754 15.705 -7.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 14.215 16.051 -7.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 13.717 14.508 -6.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 14.322 14.733 -8.172 1.00 0.00 H new TER 1416 LYS A 90 ATOM 1417 N LEU B 1 6.816 -3.669 -14.978 1.00 0.00 N ATOM 1418 CA LEU B 1 7.883 -2.775 -14.537 1.00 0.00 C ATOM 1419 C LEU B 1 8.356 -3.235 -13.168 1.00 0.00 C ATOM 1420 O LEU B 1 7.539 -3.675 -12.357 1.00 0.00 O ATOM 1421 CB LEU B 1 7.417 -1.292 -14.428 1.00 0.00 C ATOM 1422 CG LEU B 1 6.914 -0.577 -15.700 1.00 0.00 C ATOM 1423 CD1 LEU B 1 5.516 -1.026 -16.095 1.00 0.00 C ATOM 1424 CD2 LEU B 1 6.954 0.932 -15.516 1.00 0.00 C ATOM 0 H1 LEU B 1 6.778 -3.678 -16.017 1.00 0.00 H new ATOM 0 H2 LEU B 1 7.003 -4.631 -14.630 1.00 0.00 H new ATOM 0 H3 LEU B 1 5.906 -3.336 -14.601 1.00 0.00 H new ATOM 0 HA LEU B 1 8.680 -2.816 -15.279 1.00 0.00 H new ATOM 0 HB2 LEU B 1 6.618 -1.250 -13.688 1.00 0.00 H new ATOM 0 HB3 LEU B 1 8.250 -0.712 -14.031 1.00 0.00 H new ATOM 0 HG LEU B 1 7.586 -0.854 -16.512 1.00 0.00 H new ATOM 0 HD11 LEU B 1 5.204 -0.496 -16.995 1.00 0.00 H new ATOM 0 HD12 LEU B 1 5.519 -2.099 -16.288 1.00 0.00 H new ATOM 0 HD13 LEU B 1 4.821 -0.806 -15.285 1.00 0.00 H new ATOM 0 HD21 LEU B 1 6.596 1.419 -16.423 1.00 0.00 H new ATOM 0 HD22 LEU B 1 6.317 1.213 -14.677 1.00 0.00 H new ATOM 0 HD23 LEU B 1 7.978 1.247 -15.315 1.00 0.00 H new ATOM 1438 N PRO B 2 9.672 -3.208 -12.898 1.00 0.00 N ATOM 1439 CA PRO B 2 10.194 -3.565 -11.585 1.00 0.00 C ATOM 1440 C PRO B 2 9.711 -2.587 -10.511 1.00 0.00 C ATOM 1441 O PRO B 2 9.895 -1.359 -10.626 1.00 0.00 O ATOM 1442 CB PRO B 2 11.719 -3.463 -11.751 1.00 0.00 C ATOM 1443 CG PRO B 2 11.953 -3.513 -13.217 1.00 0.00 C ATOM 1444 CD PRO B 2 10.757 -2.866 -13.840 1.00 0.00 C ATOM 0 HA PRO B 2 9.863 -4.553 -11.265 1.00 0.00 H new ATOM 0 HB2 PRO B 2 12.101 -2.537 -11.322 1.00 0.00 H new ATOM 0 HB3 PRO B 2 12.227 -4.283 -11.243 1.00 0.00 H new ATOM 0 HG2 PRO B 2 12.868 -2.985 -13.486 1.00 0.00 H new ATOM 0 HG3 PRO B 2 12.065 -4.541 -13.561 1.00 0.00 H new ATOM 0 HD2 PRO B 2 10.884 -1.788 -13.936 1.00 0.00 H new ATOM 0 HD3 PRO B 2 10.562 -3.254 -14.840 1.00 0.00 H new ATOM 1452 N SER B 3 9.032 -3.108 -9.531 1.00 0.00 N ATOM 1453 CA SER B 3 8.569 -2.337 -8.413 1.00 0.00 C ATOM 1454 C SER B 3 8.616 -3.180 -7.153 1.00 0.00 C ATOM 1455 O SER B 3 7.607 -3.721 -6.694 1.00 0.00 O ATOM 1456 CB SER B 3 7.169 -1.754 -8.662 1.00 0.00 C ATOM 1457 OG SER B 3 7.188 -0.848 -9.774 1.00 0.00 O ATOM 0 H SER B 3 8.780 -4.095 -9.485 1.00 0.00 H new ATOM 0 HA SER B 3 9.235 -1.484 -8.281 1.00 0.00 H new ATOM 0 HB2 SER B 3 6.463 -2.561 -8.856 1.00 0.00 H new ATOM 0 HB3 SER B 3 6.822 -1.234 -7.769 1.00 0.00 H new ATOM 0 HG SER B 3 8.102 -0.773 -10.119 1.00 0.00 H new ATOM 1463 N GLN B 4 9.812 -3.354 -6.670 1.00 0.00 N ATOM 1464 CA GLN B 4 10.074 -4.126 -5.502 1.00 0.00 C ATOM 1465 C GLN B 4 10.136 -3.217 -4.275 1.00 0.00 C ATOM 1466 O GLN B 4 10.379 -2.012 -4.404 1.00 0.00 O ATOM 1467 CB GLN B 4 11.388 -4.959 -5.644 1.00 0.00 C ATOM 1468 CG GLN B 4 12.729 -4.182 -5.735 1.00 0.00 C ATOM 1469 CD GLN B 4 13.034 -3.496 -7.080 1.00 0.00 C ATOM 1470 OE1 GLN B 4 12.151 -3.068 -7.822 1.00 0.00 O ATOM 1471 NE2 GLN B 4 14.297 -3.385 -7.396 1.00 0.00 N ATOM 0 H GLN B 4 10.649 -2.951 -7.092 1.00 0.00 H new ATOM 0 HA GLN B 4 9.255 -4.834 -5.375 1.00 0.00 H new ATOM 0 HB2 GLN B 4 11.450 -5.636 -4.792 1.00 0.00 H new ATOM 0 HB3 GLN B 4 11.298 -5.578 -6.537 1.00 0.00 H new ATOM 0 HG2 GLN B 4 12.737 -3.421 -4.954 1.00 0.00 H new ATOM 0 HG3 GLN B 4 13.541 -4.875 -5.513 1.00 0.00 H new ATOM 0 HE21 GLN B 4 15.014 -3.747 -6.767 1.00 0.00 H new ATOM 0 HE22 GLN B 4 14.566 -2.937 -8.272 1.00 0.00 H new ATOM 1480 N ALA B 5 9.890 -3.772 -3.102 1.00 0.00 N ATOM 1481 CA ALA B 5 9.948 -3.056 -1.922 1.00 0.00 C ATOM 1482 C ALA B 5 11.012 -3.662 -1.108 1.00 0.00 C ATOM 1483 O ALA B 5 11.072 -4.892 -0.967 1.00 0.00 O ATOM 1484 CB ALA B 5 8.640 -3.138 -1.189 1.00 0.00 C ATOM 0 H ALA B 5 9.643 -4.754 -2.982 1.00 0.00 H new ATOM 0 HA ALA B 5 10.150 -2.004 -2.122 1.00 0.00 H new ATOM 0 HB1 ALA B 5 8.706 -2.568 -0.262 1.00 0.00 H new ATOM 0 HB2 ALA B 5 7.847 -2.726 -1.813 1.00 0.00 H new ATOM 0 HB3 ALA B 5 8.417 -4.180 -0.959 1.00 0.00 H new ATOM 1490 N MET B 6 11.851 -2.846 -0.622 1.00 0.00 N ATOM 1491 CA MET B 6 12.908 -3.260 0.209 1.00 0.00 C ATOM 1492 C MET B 6 12.446 -3.077 1.617 1.00 0.00 C ATOM 1493 O MET B 6 11.976 -2.010 1.986 1.00 0.00 O ATOM 1494 CB MET B 6 14.143 -2.435 -0.079 1.00 0.00 C ATOM 1495 CG MET B 6 14.735 -2.661 -1.459 1.00 0.00 C ATOM 1496 SD MET B 6 15.180 -4.384 -1.748 1.00 0.00 S ATOM 1497 CE MET B 6 15.799 -4.282 -3.419 1.00 0.00 C ATOM 0 H MET B 6 11.825 -1.841 -0.793 1.00 0.00 H new ATOM 0 HA MET B 6 13.173 -4.303 0.034 1.00 0.00 H new ATOM 0 HB2 MET B 6 13.894 -1.379 0.029 1.00 0.00 H new ATOM 0 HB3 MET B 6 14.901 -2.662 0.671 1.00 0.00 H new ATOM 0 HG2 MET B 6 14.017 -2.343 -2.215 1.00 0.00 H new ATOM 0 HG3 MET B 6 15.620 -2.036 -1.578 1.00 0.00 H new ATOM 0 HE1 MET B 6 16.018 -5.284 -3.788 1.00 0.00 H new ATOM 0 HE2 MET B 6 15.048 -3.816 -4.057 1.00 0.00 H new ATOM 0 HE3 MET B 6 16.710 -3.683 -3.434 1.00 0.00 H new ATOM 1507 N ASP B 7 12.604 -4.076 2.408 1.00 0.00 N ATOM 1508 CA ASP B 7 12.061 -4.099 3.757 1.00 0.00 C ATOM 1509 C ASP B 7 12.880 -3.242 4.730 1.00 0.00 C ATOM 1510 O ASP B 7 12.625 -3.211 5.924 1.00 0.00 O ATOM 1511 CB ASP B 7 11.904 -5.547 4.219 1.00 0.00 C ATOM 1512 CG ASP B 7 13.228 -6.284 4.431 1.00 0.00 C ATOM 1513 OD1 ASP B 7 14.031 -6.371 3.480 1.00 0.00 O ATOM 1514 OD2 ASP B 7 13.469 -6.811 5.525 1.00 0.00 O ATOM 0 H ASP B 7 13.117 -4.920 2.153 1.00 0.00 H new ATOM 0 HA ASP B 7 11.072 -3.641 3.746 1.00 0.00 H new ATOM 0 HB2 ASP B 7 11.340 -5.560 5.152 1.00 0.00 H new ATOM 0 HB3 ASP B 7 11.313 -6.090 3.482 1.00 0.00 H new ATOM 1519 N ASP B 8 13.856 -2.533 4.184 1.00 0.00 N ATOM 1520 CA ASP B 8 14.629 -1.536 4.939 1.00 0.00 C ATOM 1521 C ASP B 8 13.998 -0.191 4.749 1.00 0.00 C ATOM 1522 O ASP B 8 14.197 0.742 5.535 1.00 0.00 O ATOM 1523 CB ASP B 8 16.088 -1.445 4.483 1.00 0.00 C ATOM 1524 CG ASP B 8 16.929 -2.615 4.882 1.00 0.00 C ATOM 1525 OD1 ASP B 8 17.347 -2.686 6.053 1.00 0.00 O ATOM 1526 OD2 ASP B 8 17.221 -3.477 4.028 1.00 0.00 O ATOM 0 H ASP B 8 14.140 -2.626 3.209 1.00 0.00 H new ATOM 0 HA ASP B 8 14.623 -1.847 5.984 1.00 0.00 H new ATOM 0 HB2 ASP B 8 16.112 -1.348 3.398 1.00 0.00 H new ATOM 0 HB3 ASP B 8 16.530 -0.537 4.894 1.00 0.00 H new ATOM 1531 N LEU B 9 13.244 -0.101 3.704 1.00 0.00 N ATOM 1532 CA LEU B 9 12.565 1.106 3.312 1.00 0.00 C ATOM 1533 C LEU B 9 11.213 1.054 3.855 1.00 0.00 C ATOM 1534 O LEU B 9 10.861 1.810 4.722 1.00 0.00 O ATOM 1535 CB LEU B 9 12.506 1.207 1.786 1.00 0.00 C ATOM 1536 CG LEU B 9 13.812 0.963 1.069 1.00 0.00 C ATOM 1537 CD1 LEU B 9 13.671 1.183 -0.416 1.00 0.00 C ATOM 1538 CD2 LEU B 9 14.875 1.823 1.659 1.00 0.00 C ATOM 0 H LEU B 9 13.073 -0.885 3.075 1.00 0.00 H new ATOM 0 HA LEU B 9 13.098 1.978 3.692 1.00 0.00 H new ATOM 0 HB2 LEU B 9 11.771 0.490 1.420 1.00 0.00 H new ATOM 0 HB3 LEU B 9 12.144 2.200 1.518 1.00 0.00 H new ATOM 0 HG LEU B 9 14.100 -0.080 1.203 1.00 0.00 H new ATOM 0 HD11 LEU B 9 14.628 0.999 -0.904 1.00 0.00 H new ATOM 0 HD12 LEU B 9 12.923 0.498 -0.816 1.00 0.00 H new ATOM 0 HD13 LEU B 9 13.359 2.211 -0.604 1.00 0.00 H new ATOM 0 HD21 LEU B 9 15.817 1.645 1.140 1.00 0.00 H new ATOM 0 HD22 LEU B 9 14.595 2.871 1.554 1.00 0.00 H new ATOM 0 HD23 LEU B 9 14.992 1.583 2.716 1.00 0.00 H new ATOM 1550 N MET B 10 10.524 0.087 3.396 1.00 0.00 N ATOM 1551 CA MET B 10 9.123 -0.167 3.705 1.00 0.00 C ATOM 1552 C MET B 10 8.943 -0.866 5.025 1.00 0.00 C ATOM 1553 O MET B 10 9.775 -1.698 5.414 1.00 0.00 O ATOM 1554 CB MET B 10 8.464 -0.957 2.581 1.00 0.00 C ATOM 1555 CG MET B 10 8.459 -0.284 1.199 1.00 0.00 C ATOM 1556 SD MET B 10 10.057 -0.402 0.346 1.00 0.00 S ATOM 1557 CE MET B 10 9.781 0.498 -1.169 1.00 0.00 C ATOM 0 H MET B 10 10.918 -0.603 2.757 1.00 0.00 H new ATOM 0 HA MET B 10 8.632 0.802 3.792 1.00 0.00 H new ATOM 0 HB2 MET B 10 8.971 -1.918 2.493 1.00 0.00 H new ATOM 0 HB3 MET B 10 7.433 -1.165 2.866 1.00 0.00 H new ATOM 0 HG2 MET B 10 7.688 -0.744 0.580 1.00 0.00 H new ATOM 0 HG3 MET B 10 8.191 0.766 1.314 1.00 0.00 H new ATOM 0 HE1 MET B 10 10.528 0.206 -1.907 1.00 0.00 H new ATOM 0 HE2 MET B 10 8.785 0.271 -1.551 1.00 0.00 H new ATOM 0 HE3 MET B 10 9.861 1.568 -0.976 1.00 0.00 H new ATOM 1567 N LEU B 11 7.871 -0.492 5.753 1.00 0.00 N ATOM 1568 CA LEU B 11 7.554 -1.104 6.992 1.00 0.00 C ATOM 1569 C LEU B 11 6.951 -2.489 6.742 1.00 0.00 C ATOM 1570 O LEU B 11 6.784 -2.891 5.584 1.00 0.00 O ATOM 1571 CB LEU B 11 6.562 -0.197 7.683 1.00 0.00 C ATOM 1572 CG LEU B 11 6.160 -0.547 9.088 1.00 0.00 C ATOM 1573 CD1 LEU B 11 7.366 -0.609 9.960 1.00 0.00 C ATOM 1574 CD2 LEU B 11 5.207 0.467 9.596 1.00 0.00 C ATOM 0 H LEU B 11 7.223 0.244 5.471 1.00 0.00 H new ATOM 0 HA LEU B 11 8.439 -1.240 7.613 1.00 0.00 H new ATOM 0 HB2 LEU B 11 6.979 0.810 7.694 1.00 0.00 H new ATOM 0 HB3 LEU B 11 5.659 -0.162 7.074 1.00 0.00 H new ATOM 0 HG LEU B 11 5.676 -1.524 9.095 1.00 0.00 H new ATOM 0 HD11 LEU B 11 7.067 -0.863 10.977 1.00 0.00 H new ATOM 0 HD12 LEU B 11 8.050 -1.369 9.582 1.00 0.00 H new ATOM 0 HD13 LEU B 11 7.865 0.360 9.960 1.00 0.00 H new ATOM 0 HD21 LEU B 11 4.915 0.214 10.615 1.00 0.00 H new ATOM 0 HD22 LEU B 11 5.681 1.448 9.588 1.00 0.00 H new ATOM 0 HD23 LEU B 11 4.322 0.486 8.959 1.00 0.00 H new ATOM 1586 N SER B 12 6.631 -3.210 7.814 1.00 0.00 N ATOM 1587 CA SER B 12 6.044 -4.506 7.712 1.00 0.00 C ATOM 1588 C SER B 12 4.735 -4.420 6.936 1.00 0.00 C ATOM 1589 O SER B 12 3.827 -3.662 7.291 1.00 0.00 O ATOM 1590 CB SER B 12 5.777 -5.061 9.082 1.00 0.00 C ATOM 1591 OG SER B 12 6.888 -4.775 9.940 1.00 0.00 O ATOM 0 H SER B 12 6.780 -2.894 8.772 1.00 0.00 H new ATOM 0 HA SER B 12 6.736 -5.165 7.187 1.00 0.00 H new ATOM 0 HB2 SER B 12 4.866 -4.624 9.491 1.00 0.00 H new ATOM 0 HB3 SER B 12 5.616 -6.138 9.025 1.00 0.00 H new ATOM 0 HG SER B 12 6.712 -5.136 10.834 1.00 0.00 H new ATOM 1597 N PRO B 13 4.627 -5.222 5.898 1.00 0.00 N ATOM 1598 CA PRO B 13 3.477 -5.242 4.981 1.00 0.00 C ATOM 1599 C PRO B 13 2.232 -5.764 5.602 1.00 0.00 C ATOM 1600 O PRO B 13 1.138 -5.567 5.070 1.00 0.00 O ATOM 1601 CB PRO B 13 3.859 -6.245 3.958 1.00 0.00 C ATOM 1602 CG PRO B 13 4.932 -7.078 4.550 1.00 0.00 C ATOM 1603 CD PRO B 13 5.649 -6.203 5.503 1.00 0.00 C ATOM 0 HA PRO B 13 3.276 -4.230 4.630 1.00 0.00 H new ATOM 0 HB2 PRO B 13 3.002 -6.859 3.681 1.00 0.00 H new ATOM 0 HB3 PRO B 13 4.208 -5.755 3.049 1.00 0.00 H new ATOM 0 HG2 PRO B 13 4.515 -7.948 5.057 1.00 0.00 H new ATOM 0 HG3 PRO B 13 5.607 -7.451 3.779 1.00 0.00 H new ATOM 0 HD2 PRO B 13 6.022 -6.763 6.361 1.00 0.00 H new ATOM 0 HD3 PRO B 13 6.510 -5.722 5.038 1.00 0.00 H new ATOM 1611 N ASP B 14 2.436 -6.351 6.734 1.00 0.00 N ATOM 1612 CA ASP B 14 1.526 -7.229 7.465 1.00 0.00 C ATOM 1613 C ASP B 14 0.082 -6.798 7.416 1.00 0.00 C ATOM 1614 O ASP B 14 -0.803 -7.640 7.287 1.00 0.00 O ATOM 1615 CB ASP B 14 2.010 -7.284 8.927 1.00 0.00 C ATOM 1616 CG ASP B 14 1.097 -8.044 9.857 1.00 0.00 C ATOM 1617 OD1 ASP B 14 1.045 -9.287 9.772 1.00 0.00 O ATOM 1618 OD2 ASP B 14 0.466 -7.419 10.733 1.00 0.00 O ATOM 0 H ASP B 14 3.318 -6.230 7.232 1.00 0.00 H new ATOM 0 HA ASP B 14 1.550 -8.208 6.987 1.00 0.00 H new ATOM 0 HB2 ASP B 14 2.999 -7.743 8.953 1.00 0.00 H new ATOM 0 HB3 ASP B 14 2.121 -6.265 9.299 1.00 0.00 H new ATOM 1623 N ASP B 15 -0.172 -5.535 7.530 1.00 0.00 N ATOM 1624 CA ASP B 15 -1.548 -5.085 7.435 1.00 0.00 C ATOM 1625 C ASP B 15 -2.122 -5.020 6.015 1.00 0.00 C ATOM 1626 O ASP B 15 -3.096 -5.676 5.722 1.00 0.00 O ATOM 1627 CB ASP B 15 -1.861 -3.840 8.245 1.00 0.00 C ATOM 1628 CG ASP B 15 -3.356 -3.680 8.461 1.00 0.00 C ATOM 1629 OD1 ASP B 15 -3.887 -4.270 9.440 1.00 0.00 O ATOM 1630 OD2 ASP B 15 -4.026 -2.984 7.706 1.00 0.00 O ATOM 0 H ASP B 15 0.523 -4.805 7.685 1.00 0.00 H new ATOM 0 HA ASP B 15 -2.090 -5.899 7.917 1.00 0.00 H new ATOM 0 HB2 ASP B 15 -1.356 -3.895 9.210 1.00 0.00 H new ATOM 0 HB3 ASP B 15 -1.470 -2.962 7.731 1.00 0.00 H new ATOM 1635 N ILE B 16 -1.443 -4.322 5.115 1.00 0.00 N ATOM 1636 CA ILE B 16 -1.985 -3.926 3.855 1.00 0.00 C ATOM 1637 C ILE B 16 -2.032 -5.037 2.887 1.00 0.00 C ATOM 1638 O ILE B 16 -2.793 -5.059 1.966 1.00 0.00 O ATOM 1639 CB ILE B 16 -1.250 -2.713 3.331 1.00 0.00 C ATOM 1640 CG1 ILE B 16 0.240 -2.684 3.800 1.00 0.00 C ATOM 1641 CG2 ILE B 16 -2.001 -1.498 3.807 1.00 0.00 C ATOM 1642 CD1 ILE B 16 0.412 -2.069 5.145 1.00 0.00 C ATOM 0 H ILE B 16 -0.481 -4.017 5.259 1.00 0.00 H new ATOM 0 HA ILE B 16 -3.026 -3.640 4.006 1.00 0.00 H new ATOM 0 HB ILE B 16 -1.215 -2.739 2.242 1.00 0.00 H new ATOM 0 HG12 ILE B 16 0.630 -3.702 3.819 1.00 0.00 H new ATOM 0 HG13 ILE B 16 0.834 -2.129 3.074 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -1.501 -0.598 3.449 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -3.020 -1.525 3.421 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -2.026 -1.490 4.897 1.00 0.00 H new ATOM 0 HD11 ILE B 16 1.468 -2.077 5.417 1.00 0.00 H new ATOM 0 HD12 ILE B 16 0.051 -1.041 5.124 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -0.156 -2.638 5.881 1.00 0.00 H new ATOM 1654 N GLU B 17 -1.205 -5.922 3.126 1.00 0.00 N ATOM 1655 CA GLU B 17 -1.147 -7.191 2.422 1.00 0.00 C ATOM 1656 C GLU B 17 -2.344 -8.089 2.756 1.00 0.00 C ATOM 1657 O GLU B 17 -2.727 -8.950 1.981 1.00 0.00 O ATOM 1658 CB GLU B 17 0.211 -7.882 2.553 1.00 0.00 C ATOM 1659 CG GLU B 17 0.620 -8.350 3.940 1.00 0.00 C ATOM 1660 CD GLU B 17 0.275 -9.775 4.223 1.00 0.00 C ATOM 1661 OE1 GLU B 17 -0.816 -10.051 4.716 1.00 0.00 O ATOM 1662 OE2 GLU B 17 1.133 -10.653 3.985 1.00 0.00 O ATOM 0 H GLU B 17 -0.489 -5.828 3.847 1.00 0.00 H new ATOM 0 HA GLU B 17 -1.238 -6.970 1.359 1.00 0.00 H new ATOM 0 HB2 GLU B 17 0.216 -8.747 1.889 1.00 0.00 H new ATOM 0 HB3 GLU B 17 0.976 -7.196 2.188 1.00 0.00 H new ATOM 0 HG2 GLU B 17 1.696 -8.217 4.055 1.00 0.00 H new ATOM 0 HG3 GLU B 17 0.139 -7.715 4.684 1.00 0.00 H new ATOM 1669 N GLN B 18 -2.969 -7.854 3.881 1.00 0.00 N ATOM 1670 CA GLN B 18 -4.216 -8.514 4.156 1.00 0.00 C ATOM 1671 C GLN B 18 -5.265 -7.845 3.314 1.00 0.00 C ATOM 1672 O GLN B 18 -6.262 -8.444 2.890 1.00 0.00 O ATOM 1673 CB GLN B 18 -4.592 -8.418 5.626 1.00 0.00 C ATOM 1674 CG GLN B 18 -3.698 -9.201 6.552 1.00 0.00 C ATOM 1675 CD GLN B 18 -3.827 -10.698 6.347 1.00 0.00 C ATOM 1676 OE1 GLN B 18 -4.682 -11.353 6.964 1.00 0.00 O ATOM 1677 NE2 GLN B 18 -2.983 -11.262 5.541 1.00 0.00 N ATOM 0 H GLN B 18 -2.641 -7.221 4.610 1.00 0.00 H new ATOM 0 HA GLN B 18 -4.130 -9.575 3.920 1.00 0.00 H new ATOM 0 HB2 GLN B 18 -4.574 -7.370 5.925 1.00 0.00 H new ATOM 0 HB3 GLN B 18 -5.617 -8.768 5.749 1.00 0.00 H new ATOM 0 HG2 GLN B 18 -2.662 -8.903 6.392 1.00 0.00 H new ATOM 0 HG3 GLN B 18 -3.944 -8.955 7.585 1.00 0.00 H new ATOM 0 HE21 GLN B 18 -2.292 -10.696 5.048 1.00 0.00 H new ATOM 0 HE22 GLN B 18 -3.010 -12.272 5.399 1.00 0.00 H new ATOM 1686 N TRP B 19 -4.985 -6.625 2.960 1.00 0.00 N ATOM 1687 CA TRP B 19 -5.938 -5.908 2.220 1.00 0.00 C ATOM 1688 C TRP B 19 -5.737 -6.244 0.753 1.00 0.00 C ATOM 1689 O TRP B 19 -6.660 -6.365 -0.021 1.00 0.00 O ATOM 1690 CB TRP B 19 -5.907 -4.419 2.489 1.00 0.00 C ATOM 1691 CG TRP B 19 -6.305 -4.155 3.884 1.00 0.00 C ATOM 1692 CD1 TRP B 19 -5.490 -4.169 4.912 1.00 0.00 C ATOM 1693 CD2 TRP B 19 -7.618 -3.862 4.442 1.00 0.00 C ATOM 1694 NE1 TRP B 19 -6.131 -3.962 6.024 1.00 0.00 N ATOM 1695 CE2 TRP B 19 -7.424 -3.730 5.796 1.00 0.00 C ATOM 1696 CE3 TRP B 19 -8.912 -3.687 3.943 1.00 0.00 C ATOM 1697 CZ2 TRP B 19 -8.433 -3.437 6.676 1.00 0.00 C ATOM 1698 CZ3 TRP B 19 -9.935 -3.393 4.821 1.00 0.00 C ATOM 1699 CH2 TRP B 19 -9.687 -3.267 6.179 1.00 0.00 C ATOM 0 H TRP B 19 -4.120 -6.128 3.173 1.00 0.00 H new ATOM 0 HA TRP B 19 -6.937 -6.210 2.534 1.00 0.00 H new ATOM 0 HB2 TRP B 19 -4.906 -4.028 2.307 1.00 0.00 H new ATOM 0 HB3 TRP B 19 -6.580 -3.903 1.805 1.00 0.00 H new ATOM 0 HD1 TRP B 19 -4.424 -4.331 4.843 1.00 0.00 H new ATOM 0 HE1 TRP B 19 -5.701 -3.975 6.949 1.00 0.00 H new ATOM 0 HE3 TRP B 19 -9.108 -3.781 2.885 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 -8.238 -3.344 7.734 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 -10.939 -3.260 4.446 1.00 0.00 H new ATOM 0 HH2 TRP B 19 -10.500 -3.031 6.850 1.00 0.00 H new ATOM 1710 N PHE B 20 -4.493 -6.416 0.394 1.00 0.00 N ATOM 1711 CA PHE B 20 -4.128 -6.886 -0.888 1.00 0.00 C ATOM 1712 C PHE B 20 -4.728 -8.255 -1.117 1.00 0.00 C ATOM 1713 O PHE B 20 -5.365 -8.486 -2.142 1.00 0.00 O ATOM 1714 CB PHE B 20 -2.581 -6.844 -1.086 1.00 0.00 C ATOM 1715 CG PHE B 20 -1.909 -8.138 -1.481 1.00 0.00 C ATOM 1716 CD1 PHE B 20 -1.799 -8.529 -2.802 1.00 0.00 C ATOM 1717 CD2 PHE B 20 -1.385 -8.944 -0.510 1.00 0.00 C ATOM 1718 CE1 PHE B 20 -1.181 -9.712 -3.135 1.00 0.00 C ATOM 1719 CE2 PHE B 20 -0.761 -10.132 -0.823 1.00 0.00 C ATOM 1720 CZ PHE B 20 -0.659 -10.521 -2.140 1.00 0.00 C ATOM 0 H PHE B 20 -3.700 -6.226 1.006 1.00 0.00 H new ATOM 0 HA PHE B 20 -4.536 -6.223 -1.651 1.00 0.00 H new ATOM 0 HB2 PHE B 20 -2.356 -6.098 -1.848 1.00 0.00 H new ATOM 0 HB3 PHE B 20 -2.129 -6.496 -0.157 1.00 0.00 H new ATOM 0 HD1 PHE B 20 -2.202 -7.899 -3.581 1.00 0.00 H new ATOM 0 HD2 PHE B 20 -1.462 -8.644 0.525 1.00 0.00 H new ATOM 0 HE1 PHE B 20 -1.103 -10.009 -4.170 1.00 0.00 H new ATOM 0 HE2 PHE B 20 -0.354 -10.755 -0.040 1.00 0.00 H new ATOM 0 HZ PHE B 20 -0.175 -11.452 -2.395 1.00 0.00 H new ATOM 1730 N THR B 21 -4.530 -9.180 -0.190 1.00 0.00 N ATOM 1731 CA THR B 21 -5.064 -10.388 -0.311 1.00 0.00 C ATOM 1732 C THR B 21 -5.376 -11.047 1.056 1.00 0.00 C ATOM 1733 O THR B 21 -4.504 -11.556 1.781 1.00 0.00 O ATOM 1734 CB THR B 21 -4.169 -11.242 -1.220 1.00 0.00 C ATOM 1735 OG1 THR B 21 -4.437 -10.962 -2.606 1.00 0.00 O ATOM 1736 CG2 THR B 21 -4.291 -12.666 -0.911 1.00 0.00 C ATOM 0 H THR B 21 -3.974 -9.040 0.654 1.00 0.00 H new ATOM 0 HA THR B 21 -6.041 -10.300 -0.786 1.00 0.00 H new ATOM 0 HB THR B 21 -3.131 -10.971 -1.026 1.00 0.00 H new ATOM 0 HG1 THR B 21 -4.880 -10.091 -2.684 1.00 0.00 H new ATOM 0 HG21 THR B 21 -3.643 -13.239 -1.574 1.00 0.00 H new ATOM 0 HG22 THR B 21 -3.996 -12.840 0.124 1.00 0.00 H new ATOM 0 HG23 THR B 21 -5.325 -12.982 -1.052 1.00 0.00 H new ATOM 1744 N GLU B 22 -6.567 -10.860 1.437 1.00 0.00 N ATOM 1745 CA GLU B 22 -7.242 -11.738 2.261 1.00 0.00 C ATOM 1746 C GLU B 22 -8.558 -11.802 1.553 1.00 0.00 C ATOM 1747 O GLU B 22 -9.064 -10.734 1.121 1.00 0.00 O ATOM 1748 CB GLU B 22 -7.356 -11.316 3.734 1.00 0.00 C ATOM 1749 CG GLU B 22 -8.361 -10.233 4.063 1.00 0.00 C ATOM 1750 CD GLU B 22 -8.386 -9.895 5.529 1.00 0.00 C ATOM 1751 OE1 GLU B 22 -8.980 -10.640 6.318 1.00 0.00 O ATOM 1752 OE2 GLU B 22 -7.827 -8.860 5.925 1.00 0.00 O ATOM 0 H GLU B 22 -7.119 -10.047 1.165 1.00 0.00 H new ATOM 0 HA GLU B 22 -6.730 -12.693 2.384 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -7.606 -12.200 4.321 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -6.374 -10.979 4.067 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -8.124 -9.336 3.491 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -9.354 -10.557 3.751 1.00 0.00 H new ATOM 1759 N ASP B 23 -9.066 -12.971 1.345 1.00 0.00 N ATOM 1760 CA ASP B 23 -10.185 -13.151 0.410 1.00 0.00 C ATOM 1761 C ASP B 23 -11.437 -12.347 0.777 1.00 0.00 C ATOM 1762 O ASP B 23 -12.069 -12.581 1.804 1.00 0.00 O ATOM 1763 CB ASP B 23 -10.508 -14.611 0.151 1.00 0.00 C ATOM 1764 CG ASP B 23 -11.423 -14.766 -1.044 1.00 0.00 C ATOM 1765 OD1 ASP B 23 -10.950 -14.612 -2.189 1.00 0.00 O ATOM 1766 OD2 ASP B 23 -12.626 -15.050 -0.863 1.00 0.00 O ATOM 0 H ASP B 23 -8.743 -13.827 1.796 1.00 0.00 H new ATOM 0 HA ASP B 23 -9.827 -12.731 -0.530 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -9.585 -15.165 -0.020 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -10.981 -15.043 1.033 1.00 0.00 H new ATOM 1771 N PRO B 24 -11.802 -11.386 -0.086 1.00 0.00 N ATOM 1772 CA PRO B 24 -12.920 -10.456 0.141 1.00 0.00 C ATOM 1773 C PRO B 24 -14.300 -11.028 -0.242 1.00 0.00 C ATOM 1774 O PRO B 24 -15.179 -10.299 -0.733 1.00 0.00 O ATOM 1775 CB PRO B 24 -12.575 -9.312 -0.796 1.00 0.00 C ATOM 1776 CG PRO B 24 -11.872 -9.948 -1.940 1.00 0.00 C ATOM 1777 CD PRO B 24 -11.120 -11.113 -1.374 1.00 0.00 C ATOM 0 HA PRO B 24 -13.015 -10.198 1.196 1.00 0.00 H new ATOM 0 HB2 PRO B 24 -13.472 -8.789 -1.126 1.00 0.00 H new ATOM 0 HB3 PRO B 24 -11.940 -8.576 -0.303 1.00 0.00 H new ATOM 0 HG2 PRO B 24 -12.582 -10.275 -2.700 1.00 0.00 H new ATOM 0 HG3 PRO B 24 -11.193 -9.243 -2.420 1.00 0.00 H new ATOM 0 HD2 PRO B 24 -11.161 -11.976 -2.039 1.00 0.00 H new ATOM 0 HD3 PRO B 24 -10.067 -10.875 -1.226 1.00 0.00 H new ATOM 1785 N GLY B 25 -14.485 -12.288 -0.028 1.00 0.00 N ATOM 1786 CA GLY B 25 -15.750 -12.902 -0.321 1.00 0.00 C ATOM 1787 C GLY B 25 -16.393 -13.440 0.923 1.00 0.00 C ATOM 1788 O GLY B 25 -16.170 -14.610 1.249 1.00 0.00 O ATOM 1789 OXT GLY B 25 -17.108 -12.687 1.616 1.00 0.00 O ATOM 0 H GLY B 25 -13.778 -12.919 0.350 1.00 0.00 H new ATOM 0 HA2 GLY B 25 -16.411 -12.173 -0.789 1.00 0.00 H new ATOM 0 HA3 GLY B 25 -15.607 -13.710 -1.039 1.00 0.00 H new TER 1793 GLY B 25